AMBER: leap - using default radius 1.500000 for HO3

From: Nina Fischer <nfischer.informatik.uni-tuebingen.de>
Date: Wed, 16 Apr 2008 11:08:59 +0200

Dear Amber users,

I am struggling with assigning the correct radius to hydroxyl H atoms
(gaff atom type "ho") (AMBER 9).

Before I load my protein-ligand complex into leap, I generated the
library and parameter files for the ligand (MIT) with antechamber using
the AM1-BCC charge method. The output produced by leap is attached as
well as my PDB file (1dwc.pdb).

While loading the PDB file, leap does not find the correct radius for
the ligand HO3 atom. However, the correct atom type "ho" has been
assigned to the HO3 atom in the MIT.lib file.
(I tried to assign another atom type "hn" to HO3 and everything went
through leap as expected.) How can I tell leap to assign the correct
radius for "ho" atoms? Is there another problem I overlooked?

I would be happy if you have any suggestions for me!

Best regards,

  Nina

-- 
Eberhard Karls University Tübingen
Wilhelm Schickard Institut for Computer Science
Division for Simulation of Biological Systems
Room C314, Sand 14, D-72076 Tübingen
phone:	+49-7071-29-70456
fax:	  +49-7071-29-5152
email:	nfischer.informatik.uni-tuebingen.de

REMARK 888
REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC)
TITLE Displayed atoms
MODEL 1
ATOM 1 N CYX L 1 57.464 29.769 15.871 1.00 25.39 N1+
ATOM 2 CA CYX L 1 56.104 29.368 15.999 1.00 19.29 C
ATOM 3 C CYX L 1 55.465 30.177 17.051 1.00 17.84 C
ATOM 4 O CYX L 1 56.146 30.757 17.853 1.00 18.58 O
ATOM 5 CB CYX L 1 56.102 27.939 16.548 1.00 16.58 C
ATOM 6 SG CYX L 1 56.982 27.807 18.150 1.00 14.20 S
ATOM 7 N GLY L 2 54.159 30.186 17.080 1.00 15.50 N
ATOM 8 CA GLY L 2 53.489 30.931 18.092 1.00 13.49 C
ATOM 9 C GLY L 2 53.388 32.388 17.738 1.00 13.84 C
ATOM 10 O GLY L 2 52.651 33.115 18.393 1.00 17.90 O
ATOM 11 N LEU L 3 54.104 32.832 16.706 1.00 10.01 N
ATOM 12 CA LEU L 3 54.005 34.242 16.319 1.00 9.67 C
ATOM 13 C LEU L 3 53.120 34.437 15.092 1.00 8.37 C
ATOM 14 O LEU L 3 53.507 34.137 13.944 1.00 9.68 O
ATOM 15 CB LEU L 3 55.361 34.898 16.174 1.00 12.28 C
ATOM 16 CG LEU L 3 56.125 34.734 17.469 1.00 15.63 C
ATOM 17 CD1 LEU L 3 57.601 34.943 17.212 1.00 16.75 C
ATOM 18 CD2 LEU L 3 55.619 35.724 18.515 1.00 16.09 C
ATOM 19 N ARG L 4 51.918 34.928 15.327 1.00 6.00 N
ATOM 20 CA ARG L 4 51.018 35.120 14.226 1.00 8.25 C
ATOM 21 C ARG L 4 51.467 36.190 13.235 1.00 11.14 C
ATOM 22 O ARG L 4 51.721 37.345 13.608 1.00 12.86 O
ATOM 23 CB ARG L 4 49.586 35.308 14.669 1.00 8.89 C
ATOM 24 CG ARG L 4 49.046 34.110 15.447 1.00 8.51 C
ATOM 25 CD ARG L 4 47.826 34.505 16.266 1.00 8.17 C
ATOM 26 NE ARG L 4 48.012 35.798 16.952 1.00 9.81 N
ATOM 27 CZ ARG L 4 47.018 36.454 17.535 1.00 13.36 C
ATOM 28 N PRO L 5 51.574 35.779 11.955 1.00 9.96 N
ATOM 29 CA PRO L 5 51.984 36.660 10.879 1.00 10.02 C
ATOM 30 C PRO L 5 51.129 37.949 10.711 1.00 12.08 C
ATOM 31 O PRO L 5 51.637 38.998 10.282 1.00 15.41 O
ATOM 32 CB PRO L 5 51.942 35.824 9.601 1.00 9.21 C
ATOM 33 CG PRO L 5 51.700 34.381 10.003 1.00 7.61 C
ATOM 34 CD PRO L 5 51.611 34.354 11.519 1.00 8.71 C
ATOM 35 N LEU L 6 49.848 37.923 11.040 1.00 9.83 N
ATOM 36 CA LEU L 6 49.099 39.146 10.871 1.00 8.61 C
ATOM 37 C LEU L 6 48.886 39.840 12.178 1.00 10.31 C
ATOM 38 O LEU L 6 48.188 40.835 12.219 1.00 11.93 O
ATOM 39 CB LEU L 6 47.698 38.924 10.297 1.00 8.88 C
ATOM 40 CG LEU L 6 47.657 38.111 9.031 1.00 9.18 C
ATOM 41 CD1 LEU L 6 46.201 37.793 8.729 1.00 11.14 C
ATOM 42 CD2 LEU L 6 48.260 38.906 7.884 1.00 7.06 C
ATOM 43 N PHE L 7 49.431 39.308 13.258 1.00 11.49 N
ATOM 44 CA PHE L 7 49.211 39.937 14.553 1.00 12.41 C
ATOM 45 C PHE L 7 50.484 40.307 15.257 1.00 15.65 C
ATOM 46 O PHE L 7 50.905 41.462 15.200 1.00 17.32 O
ATOM 47 CB PHE L 7 48.271 39.122 15.451 1.00 8.72 C
ATOM 48 CG PHE L 7 46.840 39.202 14.986 1.00 7.55 C
ATOM 49 CD1 PHE L 7 46.353 38.336 14.014 1.00 6.41 C
ATOM 50 CD2 PHE L 7 45.975 40.157 15.513 1.00 7.15 C
ATOM 51 CE1 PHE L 7 45.031 38.403 13.579 1.00 6.00 C
ATOM 52 CE2 PHE L 7 44.638 40.243 15.092 1.00 6.51 C
ATOM 53 CZ PHE L 7 44.171 39.356 14.116 1.00 6.00 C
ATOM 54 N GLU L 8 51.072 39.326 15.933 1.00 14.77 N
ATOM 55 CA GLU L 8 52.307 39.528 16.632 1.00 14.11 C
ATOM 56 C GLU L 8 53.290 40.219 15.688 1.00 18.20 C
ATOM 57 O GLU L 8 53.733 41.343 15.910 1.00 21.99 O
ATOM 58 CB GLU L 8 52.901 38.189 17.166 1.00 12.47 C
ATOM 59 CG GLU L 8 52.268 37.665 18.484 1.00 11.79 C
ATOM 60 CD GLU L 8 50.817 37.202 18.407 1.00 12.53 C
ATOM 61 OE1 GLU L 8 50.391 36.887 17.217 1.00 13.40 O
ATOM 62 OE2 GLU L 8 50.112 37.116 19.366 1.00 12.82 O1-
ATOM 63 N LYS L 9 53.581 39.560 14.591 1.00 20.28 N
ATOM 64 CA LYS L 9 54.495 40.097 13.634 1.00 21.33 C
ATOM 65 C LYS L 9 54.136 41.451 13.061 1.00 22.42 C
ATOM 66 O LYS L 9 54.991 42.121 12.518 1.00 24.02 O
ATOM 67 CB LYS L 9 54.849 39.093 12.586 1.00 23.38 C
ATOM 68 CG LYS L 9 55.238 37.767 13.203 1.00 27.53 C
ATOM 69 CD LYS L 9 55.764 36.825 12.151 1.00 32.36 C
ATOM 70 CE LYS L 9 56.042 35.426 12.656 1.00 35.37 C
ATOM 71 NZ LYS L 9 56.571 34.547 11.589 1.00 36.68 N1+
ATOM 72 N LYS L 10 52.901 41.864 13.167 1.00 22.77 N
ATOM 73 CA LYS L 10 52.515 43.161 12.642 1.00 24.33 C
ATOM 74 C LYS L 10 52.259 44.121 13.769 1.00 23.36 C
ATOM 75 O LYS L 10 51.654 45.179 13.605 1.00 21.79 O
ATOM 76 CB LYS L 10 51.292 43.058 11.761 1.00 29.08 C
ATOM 77 CG LYS L 10 51.572 42.991 10.276 1.00 33.84 C
ATOM 78 CD LYS L 10 50.470 42.233 9.554 1.00 38.15 C
ATOM 79 CE LYS L 10 49.888 42.957 8.352 1.00 40.82 C
ATOM 80 NZ LYS L 10 48.822 43.897 8.766 1.00 42.37 N1+
ATOM 81 N SER L 11 52.718 43.730 14.932 1.00 25.19 N
ATOM 82 CA SER L 11 52.535 44.527 16.120 1.00 26.70 C
ATOM 83 C SER L 11 51.079 44.868 16.440 1.00 28.67 C
ATOM 84 O SER L 11 50.832 45.855 17.131 1.00 31.61 O
ATOM 85 CB SER L 11 53.405 45.752 16.167 1.00 27.41 C
ATOM 86 OG SER L 11 54.749 45.369 16.307 1.00 28.50 O
ATOM 87 N LEU L 12 50.117 44.051 15.955 1.00 28.09 N
ATOM 88 CA LEU L 12 48.707 44.277 16.244 1.00 26.77 C
ATOM 89 C LEU L 12 48.204 43.187 17.148 1.00 26.12 C
ATOM 90 O LEU L 12 48.677 42.058 17.091 1.00 27.04 O
ATOM 91 CB LEU L 12 47.786 44.261 15.037 1.00 28.30 C
ATOM 92 CG LEU L 12 48.082 45.286 13.985 1.00 31.31 C
ATOM 93 CD1 LEU L 12 48.907 44.679 12.854 1.00 30.07 C
ATOM 94 CD2 LEU L 12 46.760 45.800 13.474 1.00 34.87 C
ATOM 95 N GLU L 13 47.234 43.494 17.978 1.00 24.33 N
ATOM 96 CA GLU L 13 46.704 42.481 18.840 1.00 24.75 C
ATOM 97 C GLU L 13 45.242 42.200 18.508 1.00 21.47 C
ATOM 98 O GLU L 13 44.546 43.054 17.989 1.00 22.70 O
ATOM 99 CB GLU L 13 46.899 42.803 20.299 1.00 31.24 C
ATOM 100 CG GLU L 13 46.110 44.025 20.740 1.00 38.96 C
ATOM 101 CD GLU L 13 46.169 44.194 22.231 1.00 46.89 C
ATOM 102 OE1 GLU L 13 47.399 44.082 22.703 1.00 49.15 O
ATOM 103 OE2 GLU L 13 45.178 44.396 22.928 1.00 49.95 O1-
ATOM 104 N ASP L 14 44.757 40.993 18.781 1.00 19.07 N
ATOM 105 CA ASP L 14 43.370 40.679 18.482 1.00 16.89 C
ATOM 106 C ASP L 14 42.401 41.181 19.570 1.00 22.07 C
ATOM 107 O ASP L 14 42.785 41.520 20.701 1.00 23.51 O
ATOM 108 CB ASP L 14 43.136 39.225 18.096 1.00 12.81 C
ATOM 109 CG ASP L 14 43.323 38.284 19.262 1.00 11.15 C
ATOM 110 OD1 ASP L 14 42.555 38.325 20.242 1.00 10.24 O
ATOM 111 OD2 ASP L 14 44.335 37.429 19.168 1.00 12.30 O1-
ATOM 112 N LYS L 14A 41.140 41.237 19.198 1.00 23.71 N
ATOM 113 CA LYS L 14A 40.069 41.720 20.025 1.00 24.92 C
ATOM 114 C LYS L 14A 39.939 41.260 21.462 1.00 20.79 C
ATOM 115 O LYS L 14A 39.518 42.040 22.311 1.00 19.89 O
ATOM 116 CB LYS L 14A 38.736 41.644 19.327 1.00 32.58 C
ATOM 117 CG LYS L 14A 38.687 42.476 18.055 1.00 40.52 C
ATOM 118 CD LYS L 14A 37.272 42.568 17.470 1.00 44.58 C
ATOM 119 CE LYS L 14A 37.188 43.316 16.131 1.00 48.52 C
ATOM 120 NZ LYS L 14A 37.790 44.666 16.160 1.00 50.00 N1+
ATOM 121 N THR L 14B 40.248 40.014 21.774 1.00 19.40 N
ATOM 122 CA THR L 14B 40.055 39.584 23.148 1.00 18.26 C
ATOM 123 C THR L 14B 41.240 38.998 23.815 1.00 17.72 C
ATOM 124 O THR L 14B 41.103 38.332 24.825 1.00 19.37 O
ATOM 125 CB THR L 14B 38.905 38.602 23.219 1.00 19.89 C
ATOM 126 OG1 THR L 14B 39.225 37.507 22.396 1.00 22.35 O
ATOM 127 CG2 THR L 14B 37.651 39.263 22.677 1.00 18.97 C
ATOM 128 N GLU L 14C 42.382 39.233 23.219 1.00 18.25 N
ATOM 129 CA GLU L 14C 43.675 38.764 23.676 1.00 17.78 C
ATOM 130 C GLU L 14C 44.029 39.269 25.043 1.00 19.97 C
ATOM 131 O GLU L 14C 44.675 38.563 25.799 1.00 20.32 O
ATOM 132 CB GLU L 14C 44.716 39.189 22.639 1.00 16.85 C
ATOM 133 CG GLU L 14C 46.166 39.027 23.021 1.00 17.41 C
ATOM 134 CD GLU L 14C 47.034 39.411 21.856 1.00 17.77 C
ATOM 135 OE1 GLU L 14C 46.375 40.050 20.942 1.00 17.33 O
ATOM 136 OE2 GLU L 14C 48.214 39.148 21.770 1.00 18.01 O1-
ATOM 137 N ARG L 14D 43.603 40.506 25.357 1.00 23.11 N
ATOM 138 CA ARG L 14D 43.900 41.101 26.650 1.00 25.43 C
ATOM 139 C ARG L 14D 43.225 40.421 27.792 1.00 24.53 C
ATOM 140 O ARG L 14D 43.709 40.479 28.917 1.00 26.24 O
ATOM 141 CB ARG L 14D 43.724 42.586 26.747 1.00 29.40 C
ATOM 142 CG ARG L 14D 44.422 43.135 27.978 1.00 34.67 C
ATOM 143 CD ARG L 14D 44.828 44.582 27.771 1.00 41.31 C
ATOM 144 NE ARG L 14D 45.970 45.015 28.583 1.00 46.79 N
ATOM 145 CZ ARG L 14D 45.880 45.394 29.866 1.00 50.00 C
ATOM 146 N GLU L 14E 42.100 39.782 27.517 1.00 21.94 N
ATOM 147 CA GLU L 14E 41.419 39.080 28.562 1.00 18.51 C
ATOM 148 C GLU L 14E 42.335 37.971 29.026 1.00 13.88 C
ATOM 149 O GLU L 14E 42.467 37.716 30.203 1.00 12.50 O
ATOM 150 CB GLU L 14E 40.078 38.541 28.080 1.00 20.88 C
ATOM 151 CG GLU L 14E 39.386 37.591 29.080 1.00 24.30 C
ATOM 152 CD GLU L 14E 38.072 37.145 28.523 1.00 28.57 C
ATOM 153 OE1 GLU L 14E 37.933 37.518 27.249 1.00 29.09 O
ATOM 154 OE2 GLU L 14E 37.222 36.516 29.170 1.00 30.90 O1-
ATOM 155 N LEU L 14F 43.001 37.327 28.067 1.00 12.21 N
ATOM 156 CA LEU L 14F 43.935 36.267 28.391 1.00 13.80 C
ATOM 157 C LEU L 14F 45.011 36.818 29.294 1.00 14.92 C
ATOM 158 O LEU L 14F 45.181 36.354 30.418 1.00 16.56 O
ATOM 159 CB LEU L 14F 44.620 35.653 27.146 1.00 12.79 C
ATOM 160 CG LEU L 14F 43.715 34.805 26.254 1.00 13.30 C
ATOM 161 CD1 LEU L 14F 44.539 34.258 25.099 1.00 13.17 C
ATOM 162 CD2 LEU L 14F 43.099 33.643 27.035 1.00 13.56 C
ATOM 163 N LEU L 14G 45.722 37.830 28.768 1.00 14.23 N
ATOM 164 CA LEU L 14G 46.810 38.501 29.469 1.00 14.35 C
ATOM 165 C LEU L 14G 46.501 38.989 30.874 1.00 15.68 C
ATOM 166 O LEU L 14G 47.235 38.688 31.820 1.00 13.79 O
ATOM 167 CB LEU L 14G 47.517 39.535 28.599 1.00 15.11 C
ATOM 168 CG LEU L 14G 48.202 38.824 27.439 1.00 16.07 C
ATOM 169 CD1 LEU L 14G 48.738 39.836 26.433 1.00 18.00 C
ATOM 170 CD2 LEU L 14G 49.327 37.924 27.963 1.00 14.22 C
ATOM 171 N GLU L 14H 45.413 39.733 31.021 1.00 19.67 N
ATOM 172 CA GLU L 14H 45.063 40.210 32.325 1.00 22.69 C
ATOM 173 C GLU L 14H 44.828 39.081 33.284 1.00 23.31 C
ATOM 174 O GLU L 14H 45.187 39.188 34.449 1.00 27.60 O
ATOM 175 CB GLU L 14H 43.907 41.178 32.331 1.00 26.95 C
ATOM 176 CG GLU L 14H 44.202 42.350 31.433 1.00 33.75 C
ATOM 177 CD GLU L 14H 43.158 43.379 31.573 1.00 42.66 C
ATOM 178 OE1 GLU L 14H 42.060 43.088 30.906 1.00 45.19 O
ATOM 179 OE2 GLU L 14H 43.329 44.397 32.237 1.00 46.82 O1-
ATOM 180 N SER L 14I 44.236 37.991 32.804 1.00 20.53 N
ATOM 181 CA SER L 14I 43.989 36.868 33.676 1.00 19.80 C
ATOM 182 C SER L 14I 45.241 36.401 34.437 1.00 18.35 C
ATOM 183 O SER L 14I 45.133 35.664 35.404 1.00 19.11 O
ATOM 184 CB SER L 14I 43.288 35.713 32.981 1.00 22.23 C
ATOM 185 OG SER L 14I 44.168 35.000 32.132 1.00 23.66 O
ATOM 186 N TYR L 14J 46.422 36.844 33.997 1.00 18.88 N
ATOM 187 CA TYR L 14J 47.673 36.484 34.637 1.00 21.80 C
ATOM 188 C TYR L 14J 47.993 37.416 35.786 1.00 26.09 C
ATOM 189 O TYR L 14J 48.382 37.000 36.876 1.00 28.56 O
ATOM 190 CB TYR L 14J 48.850 36.651 33.684 1.00 22.84 C
ATOM 191 CG TYR L 14J 48.868 35.700 32.545 1.00 23.07 C
ATOM 192 CD1 TYR L 14J 48.418 34.384 32.704 1.00 22.42 C
ATOM 193 CD2 TYR L 14J 49.352 36.108 31.299 1.00 22.71 C
ATOM 194 CE1 TYR L 14J 48.438 33.494 31.627 1.00 21.60 C
ATOM 195 CE2 TYR L 14J 49.376 35.235 30.227 1.00 22.00 C
ATOM 196 CZ TYR L 14J 48.922 33.927 30.388 1.00 20.42 C
ATOM 197 N ILE L 14K 47.853 38.702 35.522 1.00 27.35 N
ATOM 198 CA ILE L 14K 48.151 39.671 36.515 1.00 28.42 C
ATOM 199 C ILE L 14K 47.029 39.968 37.481 1.00 33.08 C
ATOM 200 O ILE L 14K 46.965 41.054 38.022 1.00 34.92 O
ATOM 201 CB ILE L 14K 48.677 40.937 35.903 1.00 24.62 C
ATOM 202 CG1 ILE L 14K 47.535 41.792 35.400 1.00 20.21 C
ATOM 203 CG2 ILE L 14K 49.547 40.544 34.724 1.00 25.44 C
ATOM 204 CD1 ILE L 14K 48.032 43.155 34.982 1.00 19.29 C
ATOM 205 N ASP L 14L 46.153 39.033 37.734 1.00 37.76 N
ATOM 206 CA ASP L 14L 45.099 39.339 38.681 1.00 43.63 C
ATOM 207 C ASP L 14L 45.544 39.523 40.139 1.00 47.84 C
ATOM 208 O ASP L 14L 46.338 38.687 40.635 1.00 50.00 O
ATOM 209 CB ASP L 14L 43.826 38.532 38.527 1.00 44.71 C
ATOM 210 CG ASP L 14L 42.833 39.312 37.752 1.00 47.91 C
ATOM 211 OD1 ASP L 14L 43.024 40.470 37.372 1.00 46.63 O
ATOM 212 OD2 ASP L 14L 41.731 38.643 37.556 1.00 50.00 O1-
TER 213 ASP L 14L
ATOM 214 N ILE H 16 31.445 25.906 19.221 1.00 10.85 N1+
ATOM 215 CA ILE H 16 31.712 26.844 20.306 1.00 10.66 C
ATOM 216 C ILE H 16 30.442 27.537 20.812 1.00 13.97 C
ATOM 217 O ILE H 16 29.703 28.175 20.045 1.00 13.75 O
ATOM 218 CB ILE H 16 32.756 27.901 19.911 1.00 7.78 C
ATOM 219 CG1 ILE H 16 33.991 27.267 19.267 1.00 6.67 C
ATOM 220 CG2 ILE H 16 33.148 28.716 21.139 1.00 6.00 C
ATOM 221 CD1 ILE H 16 34.806 26.407 20.222 1.00 6.00 C
ATOM 222 N VAL H 17 30.196 27.404 22.121 1.00 15.72 N
ATOM 223 CA VAL H 17 29.032 28.024 22.752 1.00 12.96 C
ATOM 224 C VAL H 17 29.425 29.351 23.407 1.00 14.08 C
ATOM 225 O VAL H 17 30.415 29.437 24.113 1.00 12.87 O
ATOM 226 CB VAL H 17 28.336 27.135 23.760 1.00 7.79 C
ATOM 227 CG1 VAL H 17 27.069 27.835 24.199 1.00 7.72 C
ATOM 228 CG2 VAL H 17 28.021 25.768 23.185 1.00 6.00 C
ATOM 229 N GLU H 18 28.650 30.384 23.152 1.00 17.07 N
ATOM 230 CA GLU H 18 28.889 31.708 23.696 1.00 19.35 C
ATOM 231 C GLU H 18 30.209 32.287 23.310 1.00 17.34 C
ATOM 232 O GLU H 18 30.764 33.061 24.063 1.00 17.97 O
ATOM 233 CB GLU H 18 28.739 31.732 25.198 1.00 26.02 C
ATOM 234 CG GLU H 18 27.346 31.259 25.629 1.00 33.65 C
ATOM 235 CD GLU H 18 26.295 32.259 25.266 1.00 40.28 C
ATOM 236 OE1 GLU H 18 26.455 33.456 25.458 1.00 42.68 O
ATOM 237 OE2 GLU H 18 25.205 31.712 24.731 1.00 42.32 O1-
ATOM 238 N GLY H 19 30.712 31.921 22.146 1.00 17.52 N
ATOM 239 CA GLY H 19 31.987 32.457 21.702 1.00 18.72 C
ATOM 240 C GLY H 19 31.769 33.621 20.747 1.00 19.14 C
ATOM 241 O GLY H 19 30.768 34.290 20.854 1.00 23.11 O
ATOM 242 N SER H 20 32.696 33.847 19.800 1.00 16.57 N
ATOM 243 CA SER H 20 32.564 34.923 18.830 1.00 13.47 C
ATOM 244 C SER H 20 33.208 34.563 17.515 1.00 11.31 C
ATOM 245 O SER H 20 33.883 33.548 17.374 1.00 10.99 O
ATOM 246 CB SER H 20 33.298 36.130 19.302 1.00 16.94 C
ATOM 247 OG SER H 20 33.172 36.232 20.714 1.00 22.43 O
ATOM 248 N ASP H 21 33.019 35.418 16.546 1.00 10.28 N
ATOM 249 CA ASP H 21 33.613 35.195 15.273 1.00 10.45 C
ATOM 250 C ASP H 21 35.053 35.492 15.419 1.00 9.41 C
ATOM 251 O ASP H 21 35.441 36.495 15.997 1.00 9.52 O
ATOM 252 CB ASP H 21 33.114 36.164 14.221 1.00 15.46 C
ATOM 253 CG ASP H 21 31.679 36.049 13.926 1.00 21.03 C
ATOM 254 OD1 ASP H 21 31.120 35.015 14.488 1.00 21.53 O
ATOM 255 OD2 ASP H 21 31.099 36.850 13.220 1.00 26.02 O1-
ATOM 256 N ALA H 22 35.880 34.661 14.901 1.00 7.51 N
ATOM 257 CA ALA H 22 37.249 34.999 15.061 1.00 6.00 C
ATOM 258 C ALA H 22 37.627 35.939 13.963 1.00 6.22 C
ATOM 259 O ALA H 22 36.953 35.972 12.957 1.00 7.03 O
ATOM 260 CB ALA H 22 38.122 33.749 15.091 1.00 6.52 C
ATOM 261 N GLU H 23 38.697 36.701 14.175 1.00 8.88 N
ATOM 262 CA GLU H 23 39.220 37.627 13.199 1.00 10.66 C
ATOM 263 C GLU H 23 40.014 36.808 12.183 1.00 15.02 C
ATOM 264 O GLU H 23 40.469 35.700 12.480 1.00 17.17 O
ATOM 265 CB GLU H 23 40.146 38.627 13.892 1.00 12.74 C
ATOM 266 CG GLU H 23 39.409 39.459 14.953 1.00 18.60 C
ATOM 267 CD GLU H 23 40.317 40.292 15.811 1.00 24.00 C
ATOM 268 OE1 GLU H 23 41.203 40.964 15.122 1.00 25.69 O
ATOM 269 OE2 GLU H 23 40.228 40.338 17.025 1.00 26.15 O1-
ATOM 270 N ILE H 24 40.189 37.324 10.979 1.00 17.38 N
ATOM 271 CA ILE H 24 40.939 36.591 9.955 1.00 18.08 C
ATOM 272 C ILE H 24 42.389 36.366 10.333 1.00 16.95 C
ATOM 273 O ILE H 24 43.110 37.284 10.741 1.00 19.85 O
ATOM 274 CB ILE H 24 40.804 37.219 8.568 1.00 20.94 C
ATOM 275 CG1 ILE H 24 39.408 36.914 8.038 1.00 23.81 C
ATOM 276 CG2 ILE H 24 41.851 36.640 7.631 1.00 20.70 C
ATOM 277 CD1 ILE H 24 39.058 37.641 6.740 1.00 24.94 C
ATOM 278 N GLY H 25 42.835 35.151 10.210 1.00 12.86 N
ATOM 279 CA GLY H 25 44.217 34.889 10.552 1.00 10.46 C
ATOM 280 C GLY H 25 44.500 34.916 12.055 1.00 9.80 C
ATOM 281 O GLY H 25 45.644 35.060 12.470 1.00 10.13 O
ATOM 282 N MET H 26 43.447 34.751 12.853 1.00 10.05 N
ATOM 283 CA MET H 26 43.535 34.745 14.305 1.00 10.29 C
ATOM 284 C MET H 26 44.136 33.428 14.930 1.00 11.70 C
ATOM 285 O MET H 26 44.765 33.437 16.022 1.00 13.56 O
ATOM 286 CB MET H 26 42.178 35.100 14.904 1.00 10.91 C
ATOM 287 CG MET H 26 42.238 35.221 16.388 1.00 12.48 C
ATOM 288 SD MET H 26 40.607 35.502 17.078 1.00 15.45 S
ATOM 289 CE MET H 26 40.438 37.281 16.818 1.00 15.50 C
ATOM 290 N SER H 27 43.942 32.296 14.233 1.00 9.64 N
ATOM 291 CA SER H 27 44.450 30.988 14.640 1.00 8.85 C
ATOM 292 C SER H 27 44.977 30.307 13.436 1.00 10.69 C
ATOM 293 O SER H 27 44.281 29.445 12.917 1.00 13.22 O
ATOM 294 CB SER H 27 43.379 30.075 15.180 1.00 9.73 C
ATOM 295 OG SER H 27 43.068 30.442 16.490 1.00 14.08 O
ATOM 296 N PRO H 28 46.170 30.684 12.986 1.00 8.41 N
ATOM 297 CA PRO H 28 46.772 30.116 11.798 1.00 7.49 C
ATOM 298 C PRO H 28 47.128 28.649 11.897 1.00 6.00 C
ATOM 299 O PRO H 28 47.407 28.010 10.895 1.00 6.00 O
ATOM 300 CB PRO H 28 48.023 30.931 11.507 1.00 8.21 C
ATOM 301 CG PRO H 28 48.233 31.857 12.686 1.00 9.12 C
ATOM 302 CD PRO H 28 47.041 31.691 13.612 1.00 9.05 C
ATOM 303 N TRP H 29 47.119 28.121 13.098 1.00 6.00 N
ATOM 304 CA TRP H 29 47.433 26.732 13.313 1.00 6.00 C
ATOM 305 C TRP H 29 46.190 25.885 13.336 1.00 6.00 C
ATOM 306 O TRP H 29 46.268 24.683 13.456 1.00 7.40 O
ATOM 307 CB TRP H 29 48.167 26.574 14.638 1.00 6.07 C
ATOM 308 CG TRP H 29 47.594 27.476 15.694 1.00 6.07 C
ATOM 309 CD1 TRP H 29 46.487 27.222 16.428 1.00 6.00 C
ATOM 310 CD2 TRP H 29 48.094 28.768 16.141 1.00 6.85 C
ATOM 311 NE1 TRP H 29 46.254 28.250 17.300 1.00 6.00 N
ATOM 312 CE2 TRP H 29 47.233 29.209 17.148 1.00 6.78 C
ATOM 313 CE3 TRP H 29 49.185 29.585 15.789 1.00 7.97 C
ATOM 314 CZ2 TRP H 29 47.435 30.434 17.795 1.00 7.18 C
ATOM 315 CZ3 TRP H 29 49.375 30.795 16.426 1.00 6.13 C
ATOM 316 N GLN H 30 45.036 26.516 13.222 1.00 6.11 N
ATOM 317 CA GLN H 30 43.773 25.803 13.226 1.00 8.12 C
ATOM 318 C GLN H 30 43.584 24.979 11.961 1.00 9.50 C
ATOM 319 O GLN H 30 43.651 25.506 10.844 1.00 10.89 O
ATOM 320 CB GLN H 30 42.568 26.747 13.401 1.00 11.35 C
ATOM 321 CG GLN H 30 41.273 25.952 13.485 1.00 11.64 C
ATOM 322 CD GLN H 30 41.057 25.455 14.901 1.00 12.38 C
ATOM 323 OE1 GLN H 30 41.364 26.093 15.901 1.00 13.52 O
ATOM 324 NE2 GLN H 30 40.381 24.227 15.085 1.00 13.61 N
ATOM 325 N VAL H 31 43.342 23.681 12.168 1.00 10.10 N
ATOM 326 CA VAL H 31 43.125 22.723 11.111 1.00 8.30 C
ATOM 327 C VAL H 31 41.716 22.136 11.181 1.00 9.56 C
ATOM 328 O VAL H 31 41.158 21.933 12.267 1.00 10.23 O
ATOM 329 CB VAL H 31 44.159 21.596 11.194 1.00 6.09 C
ATOM 330 CG1 VAL H 31 43.765 20.429 10.319 1.00 6.00 C
ATOM 331 CG2 VAL H 31 45.526 22.083 10.751 1.00 6.31 C
ATOM 332 N MET H 32 41.143 21.873 9.997 1.00 9.16 N
ATOM 333 CA MET H 32 39.833 21.274 9.859 1.00 8.21 C
ATOM 334 C MET H 32 40.010 19.833 9.358 1.00 8.84 C
ATOM 335 O MET H 32 40.780 19.577 8.439 1.00 6.83 O
ATOM 336 CB MET H 32 38.932 22.049 8.878 1.00 9.17 C
ATOM 337 CG MET H 32 37.545 21.404 8.720 1.00 11.92 C
ATOM 338 SD MET H 32 36.445 22.211 7.504 1.00 13.15 S
ATOM 339 CE MET H 32 35.836 23.632 8.417 1.00 11.58 C
ATOM 340 N LEU H 33 39.321 18.891 9.973 1.00 12.13 N
ATOM 341 CA LEU H 33 39.388 17.511 9.554 1.00 14.88 C
ATOM 342 C LEU H 33 38.155 17.233 8.733 1.00 14.79 C
ATOM 343 O LEU H 33 37.071 17.129 9.267 1.00 16.44 O
ATOM 344 CB LEU H 33 39.416 16.529 10.729 1.00 20.35 C
ATOM 345 CG LEU H 33 40.804 16.093 11.165 1.00 23.64 C
ATOM 346 CD1 LEU H 33 40.645 15.327 12.469 1.00 25.34 C
ATOM 347 CD2 LEU H 33 41.325 15.119 10.128 1.00 25.02 C
ATOM 348 N PHE H 34 38.322 17.121 7.442 1.00 14.33 N
ATOM 349 CA PHE H 34 37.224 16.878 6.537 1.00 16.30 C
ATOM 350 C PHE H 34 37.081 15.407 6.132 1.00 16.79 C
ATOM 351 O PHE H 34 38.067 14.686 5.954 1.00 18.43 O
ATOM 352 CB PHE H 34 37.425 17.766 5.299 1.00 17.41 C
ATOM 353 CG PHE H 34 36.182 18.087 4.509 1.00 17.81 C
ATOM 354 CD1 PHE H 34 35.176 18.894 5.051 1.00 17.42 C
ATOM 355 CD2 PHE H 34 36.033 17.605 3.209 1.00 17.51 C
ATOM 356 CE1 PHE H 34 34.027 19.203 4.331 1.00 17.13 C
ATOM 357 CE2 PHE H 34 34.891 17.905 2.471 1.00 18.84 C
ATOM 358 CZ PHE H 34 33.882 18.705 3.033 1.00 18.20 C
ATOM 359 N ARG H 35 35.834 14.983 5.980 1.00 16.84 N
ATOM 360 CA ARG H 35 35.481 13.630 5.588 1.00 18.79 C
ATOM 361 C ARG H 35 35.133 13.606 4.106 1.00 20.54 C
ATOM 362 O ARG H 35 34.323 14.385 3.650 1.00 20.10 O
ATOM 363 CB ARG H 35 34.294 13.161 6.407 1.00 21.42 C
ATOM 364 CG ARG H 35 33.829 11.762 6.040 1.00 23.48 C
ATOM 365 CD ARG H 35 32.537 11.331 6.726 1.00 24.12 C
ATOM 366 NE ARG H 35 32.359 9.905 6.611 1.00 27.42 N
ATOM 367 CZ ARG H 35 31.699 9.158 7.483 1.00 31.72 C
ATOM 368 N LYS H 36 35.745 12.718 3.345 1.00 22.63 N
ATOM 369 CA LYS H 36 35.499 12.639 1.899 1.00 25.24 C
ATOM 370 C LYS H 36 34.069 12.384 1.457 1.00 28.36 C
ATOM 371 O LYS H 36 33.517 13.146 0.664 1.00 30.30 O
ATOM 372 CB LYS H 36 36.392 11.670 1.210 1.00 24.42 C
ATOM 373 CG LYS H 36 37.825 12.082 1.163 1.00 24.42 C
ATOM 374 CD LYS H 36 38.621 10.942 0.604 1.00 25.48 C
ATOM 375 CE LYS H 36 40.057 11.283 0.411 1.00 29.22 C
ATOM 376 NZ LYS H 36 40.791 10.183 -0.210 1.00 32.44 N1+
ATOM 377 N SER H 36A 33.488 11.293 1.936 1.00 28.37 N
ATOM 378 CA SER H 36A 32.125 10.908 1.602 1.00 27.46 C
ATOM 379 C SER H 36A 31.500 10.111 2.720 1.00 27.27 C
ATOM 380 O SER H 36A 31.957 9.023 3.055 1.00 29.93 O
ATOM 381 CB SER H 36A 32.059 10.111 0.325 1.00 28.43 C
ATOM 382 OG SER H 36A 30.791 9.488 0.241 1.00 28.28 O
ATOM 383 N PRO H 37 30.455 10.660 3.309 1.00 24.51 N
ATOM 384 CA PRO H 37 29.929 11.921 2.918 1.00 22.68 C
ATOM 385 C PRO H 37 30.847 13.042 3.319 1.00 24.83 C
ATOM 386 O PRO H 37 31.652 12.908 4.214 1.00 24.74 O
ATOM 387 CB PRO H 37 28.611 12.075 3.669 1.00 20.66 C
ATOM 388 CG PRO H 37 28.515 10.950 4.666 1.00 21.21 C
ATOM 389 CD PRO H 37 29.758 10.112 4.484 1.00 23.22 C
ATOM 390 N GLN H 38 30.718 14.164 2.645 1.00 26.81 N
ATOM 391 CA GLN H 38 31.518 15.314 2.955 1.00 28.28 C
ATOM 392 C GLN H 38 30.969 15.927 4.195 1.00 27.93 C
ATOM 393 O GLN H 38 29.829 16.355 4.227 1.00 29.05 O
ATOM 394 CB GLN H 38 31.490 16.375 1.850 1.00 30.25 C
ATOM 395 CG GLN H 38 32.384 16.052 0.660 1.00 36.06 C
ATOM 396 CD GLN H 38 32.254 17.110 -0.413 1.00 42.23 C
ATOM 397 OE1 GLN H 38 33.248 17.649 -0.942 1.00 45.02 O
ATOM 398 NE2 GLN H 38 31.009 17.424 -0.742 1.00 43.33 N
ATOM 399 N GLU H 39 31.763 15.964 5.220 1.00 27.36 N
ATOM 400 CA GLU H 39 31.299 16.553 6.428 1.00 27.68 C
ATOM 401 C GLU H 39 32.458 16.899 7.310 1.00 22.75 C
ATOM 402 O GLU H 39 33.543 16.370 7.133 1.00 22.57 O
ATOM 403 CB GLU H 39 30.321 15.645 7.135 1.00 33.69 C
ATOM 404 CG GLU H 39 30.988 14.338 7.531 1.00 40.48 C
ATOM 405 CD GLU H 39 30.097 13.550 8.413 1.00 45.67 C
ATOM 406 OE1 GLU H 39 29.220 14.080 9.075 1.00 47.86 O
ATOM 407 OE2 GLU H 39 30.355 12.259 8.395 1.00 45.54 O1-
ATOM 408 N LEU H 40 32.218 17.785 8.246 1.00 17.95 N
ATOM 409 CA LEU H 40 33.231 18.205 9.168 1.00 16.26 C
ATOM 410 C LEU H 40 33.370 17.188 10.307 1.00 17.80 C
ATOM 411 O LEU H 40 32.427 16.971 11.057 1.00 21.93 O
ATOM 412 CB LEU H 40 32.906 19.628 9.682 1.00 14.11 C
ATOM 413 CG LEU H 40 33.931 20.223 10.641 1.00 10.90 C
ATOM 414 CD1 LEU H 40 33.995 21.714 10.410 1.00 10.67 C
ATOM 415 CD2 LEU H 40 33.473 20.002 12.062 1.00 8.35 C
ATOM 416 N LEU H 41 34.540 16.550 10.419 1.00 14.79 N
ATOM 417 CA LEU H 41 34.790 15.568 11.457 1.00 13.05 C
ATOM 418 C LEU H 41 35.244 16.169 12.786 1.00 11.89 C
ATOM 419 O LEU H 41 34.729 15.831 13.835 1.00 12.42 O
ATOM 420 CB LEU H 41 35.837 14.512 11.043 1.00 15.62 C
ATOM 421 CG LEU H 41 35.401 13.512 9.981 1.00 17.39 C
ATOM 422 CD1 LEU H 41 36.383 12.345 9.986 1.00 15.76 C
ATOM 423 CD2 LEU H 41 33.987 13.004 10.269 1.00 19.47 C
ATOM 424 N CYX H 42 36.233 17.035 12.739 1.00 10.49 N
ATOM 425 CA CYX H 42 36.778 17.638 13.936 1.00 10.53 C
ATOM 426 C CYX H 42 37.743 18.756 13.655 1.00 10.09 C
ATOM 427 O CYX H 42 38.104 19.045 12.514 1.00 13.35 O
ATOM 428 CB CYX H 42 37.685 16.624 14.640 1.00 11.34 C
ATOM 429 SG CYX H 42 36.833 15.443 15.640 1.00 15.60 S
ATOM 430 N GLY H 43 38.197 19.345 14.752 1.00 7.60 N
ATOM 431 CA GLY H 43 39.170 20.392 14.741 1.00 6.00 C
ATOM 432 C GLY H 43 40.519 19.704 14.889 1.00 7.35 C
ATOM 433 O GLY H 43 40.592 18.474 15.032 1.00 6.00 O
ATOM 434 N ALA H 44 41.585 20.481 14.836 1.00 8.57 N
ATOM 435 CA ALA H 44 42.934 19.946 14.960 1.00 9.82 C
ATOM 436 C ALA H 44 43.917 21.094 14.866 1.00 11.73 C
ATOM 437 O ALA H 44 43.497 22.236 14.672 1.00 15.24 O
ATOM 438 CB ALA H 44 43.205 18.851 13.933 1.00 8.03 C
ATOM 439 N SER H 45 45.216 20.821 15.004 1.00 8.81 N
ATOM 440 CA SER H 45 46.164 21.902 14.926 1.00 7.19 C
ATOM 441 C SER H 45 47.425 21.545 14.179 1.00 7.57 C
ATOM 442 O SER H 45 47.834 20.396 14.094 1.00 10.57 O
ATOM 443 CB SER H 45 46.474 22.492 16.292 1.00 9.35 C
ATOM 444 OG SER H 45 47.253 21.593 17.059 1.00 11.16 O
ATOM 445 N LEU H 46 48.048 22.556 13.630 1.00 6.00 N
ATOM 446 CA LEU H 46 49.257 22.375 12.896 1.00 7.03 C
ATOM 447 C LEU H 46 50.454 22.674 13.771 1.00 10.28 C
ATOM 448 O LEU H 46 50.688 23.823 14.127 1.00 12.33 O
ATOM 449 CB LEU H 46 49.252 23.328 11.705 1.00 6.75 C
ATOM 450 CG LEU H 46 50.471 23.200 10.810 1.00 6.80 C
ATOM 451 CD1 LEU H 46 50.375 21.922 9.958 1.00 6.00 C
ATOM 452 CD2 LEU H 46 50.563 24.444 9.929 1.00 7.69 C
ATOM 453 N ILE H 47 51.221 21.636 14.144 1.00 11.67 N
ATOM 454 CA ILE H 47 52.402 21.820 14.981 1.00 10.18 C
ATOM 455 C ILE H 47 53.622 21.929 14.128 1.00 12.40 C
ATOM 456 O ILE H 47 54.695 22.204 14.625 1.00 12.61 O
ATOM 457 CB ILE H 47 52.617 20.744 15.986 1.00 6.00 C
ATOM 458 CG1 ILE H 47 53.013 19.489 15.249 1.00 6.00 C
ATOM 459 CG2 ILE H 47 51.349 20.534 16.779 1.00 6.00 C
ATOM 460 CD1 ILE H 47 53.187 18.300 16.190 1.00 6.74 C
ATOM 461 N SER H 48 53.446 21.707 12.837 1.00 15.12 N
ATOM 462 CA SER H 48 54.543 21.818 11.900 1.00 16.90 C
ATOM 463 C SER H 48 54.179 21.588 10.443 1.00 21.11 C
ATOM 464 O SER H 48 53.071 21.192 10.069 1.00 22.94 O
ATOM 465 CB SER H 48 55.745 20.983 12.263 1.00 15.65 C
ATOM 466 OG SER H 48 55.510 19.629 11.941 1.00 16.21 O
ATOM 467 N ASP H 49 55.186 21.853 9.660 1.00 23.11 N
ATOM 468 CA ASP H 49 55.271 21.738 8.233 1.00 24.24 C
ATOM 469 C ASP H 49 54.666 20.413 7.671 1.00 20.36 C
ATOM 470 O ASP H 49 54.299 20.315 6.496 1.00 17.97 O
ATOM 471 CB ASP H 49 56.786 21.849 8.007 1.00 28.50 C
ATOM 472 CG ASP H 49 57.307 21.329 6.739 1.00 33.31 C
ATOM 473 OD1 ASP H 49 57.593 20.054 6.812 1.00 33.39 O
ATOM 474 OD2 ASP H 49 57.473 22.026 5.754 1.00 37.95 O1-
ATOM 475 N ARG H 50 54.544 19.387 8.519 1.00 18.91 N
ATOM 476 CA ARG H 50 53.992 18.125 8.074 1.00 20.31 C
ATOM 477 C ARG H 50 53.246 17.367 9.143 1.00 16.36 C
ATOM 478 O ARG H 50 52.812 16.259 8.878 1.00 18.47 O
ATOM 479 CB ARG H 50 55.039 17.169 7.518 1.00 26.64 C
ATOM 480 CG ARG H 50 55.877 17.732 6.383 1.00 34.76 C
ATOM 481 CD ARG H 50 56.749 16.649 5.742 1.00 41.83 C
ATOM 482 NE ARG H 50 55.944 15.464 5.347 1.00 46.59 N
ATOM 483 CZ ARG H 50 56.294 14.558 4.424 1.00 48.78 C
ATOM 484 N TRP H 51 53.100 17.912 10.353 1.00 11.05 N
ATOM 485 CA TRP H 51 52.383 17.153 11.360 1.00 7.15 C
ATOM 486 C TRP H 51 51.263 17.933 11.882 1.00 6.00 C
ATOM 487 O TRP H 51 51.397 19.132 12.028 1.00 6.00 O
ATOM 488 CB TRP H 51 53.224 16.733 12.541 1.00 8.03 C
ATOM 489 CG TRP H 51 54.262 15.717 12.234 1.00 9.22 C
ATOM 490 CD1 TRP H 51 55.508 15.976 11.760 1.00 11.77 C
ATOM 491 CD2 TRP H 51 54.189 14.297 12.430 1.00 9.63 C
ATOM 492 NE1 TRP H 51 56.208 14.805 11.625 1.00 12.96 N
ATOM 493 CE2 TRP H 51 55.423 13.759 12.032 1.00 9.76 C
ATOM 494 CE3 TRP H 51 53.203 13.445 12.884 1.00 8.50 C
ATOM 495 CZ2 TRP H 51 55.682 12.405 12.068 1.00 7.19 C
ATOM 496 CZ3 TRP H 51 53.461 12.092 12.920 1.00 8.41 C
ATOM 497 N VAL H 52 50.173 17.208 12.167 1.00 6.50 N
ATOM 498 CA VAL H 52 48.917 17.724 12.700 1.00 6.64 C
ATOM 499 C VAL H 52 48.547 16.960 13.968 1.00 6.00 C
ATOM 500 O VAL H 52 48.658 15.745 14.054 1.00 6.00 O
ATOM 501 CB VAL H 52 47.785 17.617 11.681 1.00 6.86 C
ATOM 502 CG1 VAL H 52 46.475 18.057 12.313 1.00 6.00 C
ATOM 503 CG2 VAL H 52 48.087 18.449 10.439 1.00 6.00 C
ATOM 504 N LEU H 53 48.114 17.686 14.950 1.00 6.00 N
ATOM 505 CA LEU H 53 47.759 17.115 16.210 1.00 6.97 C
ATOM 506 C LEU H 53 46.262 17.241 16.473 1.00 9.08 C
ATOM 507 O LEU H 53 45.691 18.351 16.460 1.00 9.76 O
ATOM 508 CB LEU H 53 48.614 17.832 17.267 1.00 7.11 C
ATOM 509 CG LEU H 53 48.268 17.599 18.717 1.00 6.47 C
ATOM 510 CD1 LEU H 53 48.568 16.162 19.117 1.00 6.11 C
ATOM 511 CD2 LEU H 53 49.079 18.570 19.561 1.00 6.00 C
ATOM 512 N THR H 54 45.637 16.087 16.700 1.00 9.59 N
ATOM 513 CA THR H 54 44.219 15.997 16.965 1.00 9.06 C
ATOM 514 C THR H 54 43.943 15.046 18.133 1.00 11.44 C
ATOM 515 O THR H 54 44.867 14.477 18.722 1.00 12.19 O
ATOM 516 CB THR H 54 43.472 15.468 15.728 1.00 7.17 C
ATOM 517 OG1 THR H 54 42.079 15.660 15.914 1.00 8.42 O
ATOM 518 CG2 THR H 54 43.738 13.979 15.650 1.00 6.88 C
ATOM 519 N ALA H 55 42.654 14.864 18.458 1.00 11.01 N
ATOM 520 CA ALA H 55 42.277 13.973 19.533 1.00 10.77 C
ATOM 521 C ALA H 55 42.049 12.589 18.949 1.00 13.18 C
ATOM 522 O ALA H 55 41.565 12.462 17.810 1.00 13.60 O
ATOM 523 CB ALA H 55 41.033 14.468 20.248 1.00 9.62 C
ATOM 524 N ALA H 56 42.397 11.549 19.707 1.00 15.44 N
ATOM 525 CA ALA H 56 42.213 10.213 19.204 1.00 17.31 C
ATOM 526 C ALA H 56 40.777 9.908 18.861 1.00 16.77 C
ATOM 527 O ALA H 56 40.514 9.453 17.752 1.00 17.60 O
ATOM 528 CB ALA H 56 42.760 9.167 20.140 1.00 19.69 C
ATOM 529 N HIE H 57 39.854 10.153 19.819 1.00 14.85 N
ATOM 530 CA HIE H 57 38.428 9.895 19.617 1.00 12.35 C
ATOM 531 C HIE H 57 37.828 10.460 18.326 1.00 13.13 C
ATOM 532 O HIE H 57 36.677 10.205 18.036 1.00 13.88 O
ATOM 533 CB HIE H 57 37.573 10.262 20.803 1.00 9.66 C
ATOM 534 CG HIE H 57 37.176 11.699 20.740 1.00 10.64 C
ATOM 535 ND1 HIE H 57 37.872 12.698 21.448 1.00 10.54 N
ATOM 536 CD2 HIE H 57 36.167 12.300 20.049 1.00 10.09 C
ATOM 537 CE1 HIE H 57 37.274 13.853 21.176 1.00 10.89 C
ATOM 538 NE2 HIE H 57 36.247 13.651 20.339 1.00 10.34 N
ATOM 539 N CYX H 58 38.606 11.221 17.540 1.00 14.05 N
ATOM 540 CA CYX H 58 38.128 11.770 16.263 1.00 13.39 C
ATOM 541 C CYX H 58 38.325 10.758 15.143 1.00 13.87 C
ATOM 542 O CYX H 58 37.707 10.826 14.099 1.00 13.02 O
ATOM 543 CB CYX H 58 38.847 13.055 15.823 1.00 14.21 C
ATOM 544 SG CYX H 58 38.336 14.499 16.733 1.00 14.93 S
ATOM 545 N LEU H 59 39.221 9.829 15.369 1.00 13.93 N
ATOM 546 CA LEU H 59 39.493 8.829 14.392 1.00 15.27 C
ATOM 547 C LEU H 59 39.014 7.473 14.866 1.00 20.45 C
ATOM 548 O LEU H 59 38.657 6.620 14.073 1.00 22.42 O
ATOM 549 CB LEU H 59 40.999 8.740 14.101 1.00 13.08 C
ATOM 550 CG LEU H 59 41.678 10.105 13.997 1.00 13.50 C
ATOM 551 CD1 LEU H 59 43.190 9.941 13.884 1.00 12.95 C
ATOM 552 CD2 LEU H 59 41.151 10.887 12.805 1.00 12.49 C
ATOM 553 N LEU H 60 39.000 7.258 16.175 1.00 22.34 N
ATOM 554 CA LEU H 60 38.602 5.972 16.666 1.00 21.60 C
ATOM 555 C LEU H 60 37.745 5.957 17.938 1.00 22.55 C
ATOM 556 O LEU H 60 38.152 6.362 19.027 1.00 23.12 O
ATOM 557 CB LEU H 60 39.885 5.128 16.759 1.00 22.37 C
ATOM 558 CG LEU H 60 39.820 3.826 17.518 1.00 25.65 C
ATOM 559 CD1 LEU H 60 41.102 3.067 17.222 1.00 25.85 C
ATOM 560 CD2 LEU H 60 39.848 4.127 19.004 1.00 28.40 C
ATOM 561 N TYR H 60A 36.533 5.470 17.777 1.00 23.64 N
ATOM 562 CA TYR H 60A 35.584 5.351 18.860 1.00 25.46 C
ATOM 563 C TYR H 60A 34.702 4.141 18.588 1.00 29.08 C
ATOM 564 O TYR H 60A 33.605 4.270 18.060 1.00 30.62 O
ATOM 565 CB TYR H 60A 34.763 6.632 19.071 1.00 24.28 C
ATOM 566 CG TYR H 60A 34.055 6.620 20.383 1.00 23.16 C
ATOM 567 CD1 TYR H 60A 34.763 6.422 21.563 1.00 22.66 C
ATOM 568 CD2 TYR H 60A 32.676 6.796 20.443 1.00 23.72 C
ATOM 569 CE1 TYR H 60A 34.097 6.406 22.786 1.00 25.23 C
ATOM 570 CE2 TYR H 60A 31.988 6.776 21.655 1.00 25.26 C
ATOM 571 CZ TYR H 60A 32.711 6.582 22.829 1.00 26.42 C
ATOM 572 N PRO H 60B 35.215 2.957 18.931 1.00 29.83 N
ATOM 573 CA PRO H 60B 34.499 1.734 18.705 1.00 30.32 C
ATOM 574 C PRO H 60B 33.028 1.743 19.108 1.00 33.78 C
ATOM 575 O PRO H 60B 32.184 1.371 18.300 1.00 37.35 O
ATOM 576 CB PRO H 60B 35.284 0.619 19.346 1.00 28.08 C
ATOM 577 CG PRO H 60B 36.659 1.180 19.657 1.00 28.34 C
ATOM 578 CD PRO H 60B 36.570 2.685 19.495 1.00 29.45 C
ATOM 579 N PRO H 60C 32.713 2.168 20.331 1.00 34.03 N
ATOM 580 CA PRO H 60C 31.337 2.216 20.799 1.00 34.14 C
ATOM 581 C PRO H 60C 30.349 2.761 19.777 1.00 35.13 C
ATOM 582 O PRO H 60C 29.160 2.559 19.868 1.00 37.40 O
ATOM 583 CB PRO H 60C 31.319 3.091 22.048 1.00 33.83 C
ATOM 584 CG PRO H 60C 32.765 3.345 22.426 1.00 34.90 C
ATOM 585 CD PRO H 60C 33.638 2.737 21.333 1.00 34.50 C
ATOM 586 N TRP H 60D 30.849 3.443 18.787 1.00 33.26 N
ATOM 587 CA TRP H 60D 30.004 3.989 17.767 1.00 32.01 C
ATOM 588 C TRP H 60D 30.482 3.556 16.418 1.00 31.53 C
ATOM 589 O TRP H 60D 30.196 4.162 15.396 1.00 29.96 O
ATOM 590 CB TRP H 60D 30.032 5.492 17.817 1.00 31.92 C
ATOM 591 CG TRP H 60D 29.278 6.019 18.965 1.00 31.26 C
ATOM 592 CD1 TRP H 60D 28.596 5.300 19.880 1.00 30.10 C
ATOM 593 CD2 TRP H 60D 29.132 7.390 19.309 1.00 30.98 C
ATOM 594 NE1 TRP H 60D 28.025 6.150 20.785 1.00 30.37 N
ATOM 595 CE2 TRP H 60D 28.346 7.447 20.444 1.00 30.37 C
ATOM 596 CE3 TRP H 60D 29.604 8.565 18.753 1.00 30.89 C
ATOM 597 CZ2 TRP H 60D 28.027 8.654 21.038 1.00 31.67 C
ATOM 598 CZ3 TRP H 60D 29.285 9.755 19.336 1.00 31.78 C
ATOM 599 N ASP H 60E 31.234 2.508 16.423 1.00 33.70 N
ATOM 600 CA ASP H 60E 31.754 2.008 15.207 1.00 37.93 C
ATOM 601 C ASP H 60E 32.546 3.060 14.439 1.00 38.89 C
ATOM 602 O ASP H 60E 32.526 3.064 13.214 1.00 41.68 O
ATOM 603 CB ASP H 60E 30.611 1.532 14.342 1.00 43.32 C
ATOM 604 CG ASP H 60E 31.020 0.315 13.574 1.00 48.98 C
ATOM 605 OD1 ASP H 60E 31.869 0.318 12.677 1.00 50.00 O
ATOM 606 OD2 ASP H 60E 30.357 -0.763 14.007 1.00 50.00 O1-
ATOM 607 N LYS H 60F 33.228 3.964 15.157 1.00 35.94 N
ATOM 608 CA LYS H 60F 34.015 5.001 14.515 1.00 32.28 C
ATOM 609 C LYS H 60F 35.450 4.528 14.339 1.00 33.44 C
ATOM 610 O LYS H 60F 36.138 4.287 15.319 1.00 35.81 O
ATOM 611 CB LYS H 60F 33.977 6.321 15.281 1.00 30.14 C
ATOM 612 CG LYS H 60F 34.656 7.449 14.527 1.00 30.49 C
ATOM 613 CD LYS H 60F 35.034 8.654 15.386 1.00 32.01 C
ATOM 614 CE LYS H 60F 33.836 9.442 15.918 1.00 33.01 C
ATOM 615 NZ LYS H 60F 34.170 10.824 16.330 1.00 32.29 N1+
ATOM 616 N ASN H 60G 35.900 4.382 13.091 1.00 31.22 N
ATOM 617 CA ASN H 60G 37.249 3.944 12.863 1.00 31.37 C
ATOM 618 C ASN H 60G 37.785 4.356 11.519 1.00 30.89 C
ATOM 619 O ASN H 60G 37.890 3.523 10.649 1.00 32.45 O
ATOM 620 CB ASN H 60G 37.425 2.441 13.083 1.00 34.61 C
ATOM 621 CG ASN H 60G 38.855 1.958 12.904 1.00 40.67 C
ATOM 622 OD1 ASN H 60G 39.745 2.700 12.473 1.00 42.28 O
ATOM 623 ND2 ASN H 60G 39.092 0.685 13.244 1.00 42.10 N
ATOM 624 N PHE H 60H 38.175 5.638 11.376 1.00 28.27 N
ATOM 625 CA PHE H 60H 38.722 6.205 10.139 1.00 24.83 C
ATOM 626 C PHE H 60H 40.142 5.847 9.869 1.00 27.30 C
ATOM 627 O PHE H 60H 40.915 5.561 10.778 1.00 30.23 O
ATOM 628 CB PHE H 60H 38.627 7.721 10.121 1.00 22.63 C
ATOM 629 CG PHE H 60H 37.226 8.173 10.158 1.00 20.54 C
ATOM 630 CD1 PHE H 60H 36.400 8.025 9.047 1.00 18.95 C
ATOM 631 CD2 PHE H 60H 36.709 8.743 11.315 1.00 20.16 C
ATOM 632 CE1 PHE H 60H 35.075 8.447 9.071 1.00 18.70 C
ATOM 633 CE2 PHE H 60H 35.379 9.171 11.357 1.00 19.88 C
ATOM 634 CZ PHE H 60H 34.571 9.018 10.230 1.00 19.00 C
ATOM 635 N THR H 60I 40.485 5.900 8.597 1.00 26.93 N
ATOM 636 CA THR H 60I 41.816 5.588 8.173 1.00 28.22 C
ATOM 637 C THR H 60I 42.348 6.701 7.328 1.00 29.55 C
ATOM 638 O THR H 60I 41.617 7.599 6.964 1.00 29.46 O
ATOM 639 CB THR H 60I 41.852 4.321 7.340 1.00 28.95 C
ATOM 640 OG1 THR H 60I 41.574 4.655 5.979 1.00 30.80 O
ATOM 641 CG2 THR H 60I 40.813 3.347 7.892 1.00 28.61 C
ATOM 642 N GLU H 61 43.633 6.601 7.015 1.00 31.49 N
ATOM 643 CA GLU H 61 44.312 7.572 6.226 1.00 32.01 C
ATOM 644 C GLU H 61 43.591 7.926 4.962 1.00 32.18 C
ATOM 645 O GLU H 61 43.711 9.025 4.487 1.00 33.38 O
ATOM 646 CB GLU H 61 45.713 7.099 5.835 1.00 35.59 C
ATOM 647 CG GLU H 61 46.667 6.928 7.021 1.00 40.83 C
ATOM 648 CD GLU H 61 46.464 5.628 7.734 1.00 45.65 C
ATOM 649 OE1 GLU H 61 45.421 4.974 7.284 1.00 46.00 O
ATOM 650 OE2 GLU H 61 47.211 5.210 8.618 1.00 47.92 O1-
ATOM 651 N ASN H 62 42.853 7.002 4.383 1.00 33.51 N
ATOM 652 CA ASN H 62 42.189 7.293 3.115 1.00 36.39 C
ATOM 653 C ASN H 62 40.808 7.883 3.190 1.00 32.94 C
ATOM 654 O ASN H 62 40.271 8.305 2.194 1.00 32.87 O
ATOM 655 CB ASN H 62 42.181 6.062 2.192 1.00 43.39 C
ATOM 656 CG ASN H 62 43.478 5.247 2.305 1.00 48.24 C
ATOM 657 OD1 ASN H 62 44.522 5.575 1.670 1.00 50.00 O
ATOM 658 ND2 ASN H 62 43.414 4.176 3.132 1.00 47.99 N
ATOM 659 N ASP H 63 40.225 7.910 4.349 1.00 30.97 N
ATOM 660 CA ASP H 63 38.905 8.433 4.475 1.00 29.18 C
ATOM 661 C ASP H 63 38.856 9.906 4.691 1.00 26.38 C
ATOM 662 O ASP H 63 37.803 10.487 4.475 1.00 26.95 O
ATOM 663 CB ASP H 63 38.218 7.793 5.687 1.00 32.36 C
ATOM 664 CG ASP H 63 38.340 6.310 5.686 1.00 36.10 C
ATOM 665 OD1 ASP H 63 38.392 5.677 4.663 1.00 39.26 O
ATOM 666 OD2 ASP H 63 38.371 5.767 6.895 1.00 36.64 O1-
ATOM 667 N LEU H 64 39.980 10.507 5.150 1.00 23.86 N
ATOM 668 CA LEU H 64 40.001 11.932 5.465 1.00 20.17 C
ATOM 669 C LEU H 64 40.889 12.820 4.660 1.00 17.04 C
ATOM 670 O LEU H 64 41.781 12.405 3.919 1.00 17.80 O
ATOM 671 CB LEU H 64 40.371 12.220 6.938 1.00 19.78 C
ATOM 672 CG LEU H 64 39.896 11.208 7.956 1.00 20.53 C
ATOM 673 CD1 LEU H 64 41.014 10.255 8.358 1.00 20.04 C
ATOM 674 CD2 LEU H 64 39.451 11.968 9.164 1.00 23.39 C
ATOM 675 N LEU H 65 40.612 14.090 4.876 1.00 13.97 N
ATOM 676 CA LEU H 65 41.318 15.188 4.302 1.00 14.09 C
ATOM 677 C LEU H 65 41.612 16.168 5.424 1.00 14.29 C
ATOM 678 O LEU H 65 40.960 16.148 6.460 1.00 15.03 O
ATOM 679 CB LEU H 65 40.516 15.902 3.204 1.00 14.02 C
ATOM 680 CG LEU H 65 40.499 15.150 1.886 1.00 14.25 C
ATOM 681 CD1 LEU H 65 39.483 15.794 0.966 1.00 15.65 C
ATOM 682 CD2 LEU H 65 41.874 15.191 1.227 1.00 12.20 C
ATOM 683 N VAL H 66 42.586 17.022 5.200 1.00 12.04 N
ATOM 684 CA VAL H 66 42.966 18.034 6.137 1.00 9.96 C
ATOM 685 C VAL H 66 42.959 19.392 5.464 1.00 9.65 C
ATOM 686 O VAL H 66 43.641 19.611 4.454 1.00 12.13 O
ATOM 687 CB VAL H 66 44.264 17.681 6.814 1.00 11.00 C
ATOM 688 CG1 VAL H 66 45.242 18.844 6.768 1.00 10.49 C
ATOM 689 CG2 VAL H 66 43.972 17.313 8.261 1.00 11.79 C
ATOM 690 N ARG H 67 42.165 20.306 6.010 1.00 6.76 N
ATOM 691 CA ARG H 67 42.082 21.621 5.437 1.00 6.00 C
ATOM 692 C ARG H 67 42.666 22.643 6.399 1.00 9.85 C
ATOM 693 O ARG H 67 42.157 22.814 7.517 1.00 12.50 O
ATOM 694 CB ARG H 67 40.652 21.918 5.008 1.00 6.48 C
ATOM 695 CG ARG H 67 40.109 20.850 4.060 1.00 6.51 C
ATOM 696 CD ARG H 67 38.634 21.001 3.707 1.00 6.58 C
ATOM 697 NE ARG H 67 38.316 22.279 3.060 1.00 8.51 N
ATOM 698 CZ ARG H 67 37.081 22.618 2.655 1.00 8.50 C
ATOM 699 N ILE H 68 43.759 23.306 5.954 1.00 9.15 N
ATOM 700 CA ILE H 68 44.499 24.308 6.743 1.00 7.51 C
ATOM 701 C ILE H 68 44.387 25.716 6.168 1.00 6.88 C
ATOM 702 O ILE H 68 44.504 25.905 4.970 1.00 7.30 O
ATOM 703 CB ILE H 68 45.988 23.909 6.695 1.00 6.65 C
ATOM 704 CG1 ILE H 68 46.160 22.417 6.925 1.00 6.60 C
ATOM 705 CG2 ILE H 68 46.828 24.696 7.701 1.00 6.00 C
ATOM 706 CD1 ILE H 68 47.392 21.875 6.217 1.00 7.50 C
ATOM 707 N GLY H 69 44.208 26.712 7.032 1.00 6.35 N
ATOM 708 CA GLY H 69 44.112 28.132 6.604 1.00 6.84 C
ATOM 709 C GLY H 69 42.671 28.680 6.431 1.00 7.21 C
ATOM 710 O GLY H 69 42.450 29.788 5.913 1.00 6.00 O
ATOM 711 N LYS H 70 41.699 27.893 6.891 1.00 7.05 N
ATOM 712 CA LYS H 70 40.314 28.228 6.785 1.00 7.13 C
ATOM 713 C LYS H 70 39.802 29.214 7.788 1.00 10.73 C
ATOM 714 O LYS H 70 40.316 29.331 8.887 1.00 12.76 O
ATOM 715 CB LYS H 70 39.436 27.007 6.755 1.00 6.76 C
ATOM 716 CG LYS H 70 39.571 26.199 5.481 1.00 6.78 C
ATOM 717 CD LYS H 70 38.415 25.234 5.305 1.00 7.51 C
ATOM 718 CE LYS H 70 37.072 25.929 5.312 1.00 6.00 C
ATOM 719 NZ LYS H 70 37.009 26.960 4.289 1.00 6.00 N1+
ATOM 720 N HIP H 71 38.744 29.917 7.363 1.00 9.74 N
ATOM 721 CA HIP H 71 38.032 30.918 8.129 1.00 8.85 C
ATOM 722 C HIP H 71 36.550 30.540 8.119 1.00 11.47 C
ATOM 723 O HIP H 71 35.898 30.314 9.161 1.00 14.97 O
ATOM 724 CB HIP H 71 38.193 32.311 7.522 1.00 7.78 C
ATOM 725 CG HIP H 71 37.553 33.381 8.352 1.00 7.83 C
ATOM 726 ND1 HIP H 71 37.992 33.659 9.644 1.00 9.81 N1+
ATOM 727 CD2 HIP H 71 36.520 34.213 8.074 1.00 6.86 C
ATOM 728 CE1 HIP H 71 37.231 34.633 10.111 1.00 8.24 C
ATOM 729 NE2 HIP H 71 36.341 34.991 9.196 1.00 7.14 N
ATOM 730 N SER H 72 36.024 30.460 6.914 1.00 9.39 N
ATOM 731 CA SER H 72 34.657 30.093 6.704 1.00 7.20 C
ATOM 732 C SER H 72 34.495 28.594 6.896 1.00 9.47 C
ATOM 733 O SER H 72 35.368 27.809 6.537 1.00 10.59 O
ATOM 734 CB SER H 72 34.236 30.476 5.334 1.00 6.67 C
ATOM 735 OG SER H 72 33.062 29.800 5.012 1.00 9.70 O
ATOM 736 N ARG H 73 33.373 28.184 7.463 1.00 8.73 N
ATOM 737 CA ARG H 73 33.133 26.785 7.707 1.00 7.96 C
ATOM 738 C ARG H 73 32.914 25.935 6.471 1.00 9.82 C
ATOM 739 O ARG H 73 33.483 24.834 6.356 1.00 9.50 O
ATOM 740 CB ARG H 73 31.978 26.544 8.683 1.00 6.36 C
ATOM 741 CG ARG H 73 31.786 25.050 8.962 1.00 8.21 C
ATOM 742 CD ARG H 73 30.582 24.703 9.839 1.00 11.34 C
ATOM 743 NE ARG H 73 29.353 25.345 9.375 1.00 14.43 N
ATOM 744 CZ ARG H 73 28.437 24.759 8.606 1.00 14.71 C
ATOM 745 N THR H 74 32.075 26.441 5.564 1.00 11.87 N
ATOM 746 CA THR H 74 31.684 25.734 4.345 1.00 11.43 C
ATOM 747 C THR H 74 32.350 26.108 3.067 1.00 12.10 C
ATOM 748 O THR H 74 32.409 25.306 2.165 1.00 12.29 O
ATOM 749 CB THR H 74 30.180 25.911 4.114 1.00 10.43 C
ATOM 750 OG1 THR H 74 29.899 27.318 3.954 1.00 7.99 O
ATOM 751 CG2 THR H 74 29.390 25.270 5.266 1.00 8.96 C
ATOM 752 N ARG H 75 32.813 27.321 2.942 1.00 12.37 N
ATOM 753 CA ARG H 75 33.435 27.711 1.679 1.00 10.86 C
ATOM 754 C ARG H 75 34.673 26.952 1.288 1.00 11.59 C
ATOM 755 O ARG H 75 35.362 26.322 2.107 1.00 12.28 O
ATOM 756 CB ARG H 75 33.763 29.208 1.611 1.00 7.32 C
ATOM 757 CG ARG H 75 32.538 30.081 1.688 1.00 6.00 C
ATOM 758 CD ARG H 75 32.863 31.526 1.500 1.00 8.00 C
ATOM 759 NE ARG H 75 31.697 32.357 1.709 1.00 11.34 N
ATOM 760 CZ ARG H 75 31.753 33.685 1.703 1.00 15.21 C
ATOM 761 N TYR H 76 34.950 27.039 -0.001 1.00 12.06 N
ATOM 762 CA TYR H 76 36.133 26.471 -0.555 1.00 11.97 C
ATOM 763 C TYR H 76 36.954 27.702 -0.838 1.00 14.18 C
ATOM 764 O TYR H 76 36.739 28.374 -1.842 1.00 16.80 O
ATOM 765 CB TYR H 76 35.944 25.678 -1.821 1.00 11.88 C
ATOM 766 CG TYR H 76 37.285 25.384 -2.416 1.00 13.93 C
ATOM 767 CD1 TYR H 76 38.342 25.032 -1.586 1.00 16.00 C
ATOM 768 CD2 TYR H 76 37.513 25.468 -3.786 1.00 14.33 C
ATOM 769 CE1 TYR H 76 39.606 24.754 -2.114 1.00 15.36 C
ATOM 770 CE2 TYR H 76 38.764 25.195 -4.337 1.00 14.97 C
ATOM 771 CZ TYR H 76 39.807 24.838 -3.489 1.00 15.78 C
ATOM 772 N GLU H 77 37.844 28.026 0.100 1.00 14.44 N
ATOM 773 CA GLU H 77 38.688 29.196 0.040 1.00 14.26 C
ATOM 774 C GLU H 77 39.942 28.980 -0.793 1.00 18.63 C
ATOM 775 O GLU H 77 41.074 28.892 -0.273 1.00 18.72 O
ATOM 776 CB GLU H 77 38.958 29.708 1.467 1.00 11.63 C
ATOM 777 CG GLU H 77 37.628 30.017 2.194 1.00 9.53 C
ATOM 778 CD GLU H 77 37.728 30.105 3.696 1.00 9.83 C
ATOM 779 OE1 GLU H 77 38.166 29.186 4.397 1.00 9.75 O
ATOM 780 OE2 GLU H 77 37.283 31.256 4.173 1.00 10.54 O1-
ATOM 781 N ARG H 77A 39.686 28.903 -2.112 1.00 21.87 N
ATOM 782 CA ARG H 77A 40.664 28.677 -3.155 1.00 25.58 C
ATOM 783 C ARG H 77A 41.974 29.389 -2.993 1.00 30.52 C
ATOM 784 O ARG H 77A 43.027 28.775 -3.095 1.00 32.76 O
ATOM 785 CB ARG H 77A 40.091 28.970 -4.525 1.00 24.27 C
ATOM 786 N ASN H 78 41.924 30.679 -2.760 1.00 32.44 N
ATOM 787 CA ASN H 78 43.150 31.468 -2.643 1.00 33.17 C
ATOM 788 C ASN H 78 43.951 31.408 -1.318 1.00 31.75 C
ATOM 789 O ASN H 78 45.151 31.661 -1.299 1.00 32.46 O
ATOM 790 CB ASN H 78 42.866 32.917 -3.083 1.00 34.30 C
ATOM 791 N ILE H 79 43.279 31.065 -0.227 1.00 29.16 N
ATOM 792 CA ILE H 79 43.873 31.022 1.092 1.00 25.19 C
ATOM 793 C ILE H 79 44.105 29.644 1.751 1.00 20.49 C
ATOM 794 O ILE H 79 45.114 29.422 2.444 1.00 17.65 O
ATOM 795 CB ILE H 79 42.995 31.923 1.959 1.00 28.06 C
ATOM 796 CG1 ILE H 79 43.299 33.370 1.662 1.00 27.94 C
ATOM 797 CG2 ILE H 79 43.051 31.633 3.450 1.00 30.79 C
ATOM 798 CD1 ILE H 79 42.596 34.303 2.636 1.00 29.04 C
ATOM 799 N GLU H 80 43.169 28.702 1.564 1.00 18.77 N
ATOM 800 CA GLU H 80 43.315 27.389 2.195 1.00 15.27 C
ATOM 801 C GLU H 80 44.139 26.398 1.424 1.00 14.87 C
ATOM 802 O GLU H 80 44.353 26.530 0.235 1.00 15.83 O
ATOM 803 CB GLU H 80 41.975 26.744 2.599 1.00 12.23 C
ATOM 804 CG GLU H 80 41.150 26.271 1.399 1.00 10.86 C
ATOM 805 CD GLU H 80 39.928 25.486 1.812 1.00 13.21 C
ATOM 806 OE1 GLU H 80 40.205 24.274 2.198 1.00 14.01 O
ATOM 807 OE2 GLU H 80 38.785 25.932 1.787 1.00 14.99 O1-
ATOM 808 N LYS H 81 44.591 25.387 2.136 1.00 14.03 N
ATOM 809 CA LYS H 81 45.383 24.322 1.579 1.00 13.40 C
ATOM 810 C LYS H 81 44.800 22.955 2.004 1.00 14.24 C
ATOM 811 O LYS H 81 44.558 22.694 3.193 1.00 14.74 O
ATOM 812 CB LYS H 81 46.868 24.484 1.897 1.00 11.70 C
ATOM 813 N ILE H 82 44.551 22.096 1.009 1.00 15.04 N
ATOM 814 CA ILE H 82 43.989 20.790 1.233 1.00 14.34 C
ATOM 815 C ILE H 82 45.008 19.710 1.115 1.00 17.00 C
ATOM 816 O ILE H 82 45.552 19.539 0.051 1.00 18.39 O
ATOM 817 CB ILE H 82 42.901 20.537 0.253 1.00 12.97 C
ATOM 818 CG1 ILE H 82 41.853 21.634 0.404 1.00 11.11 C
ATOM 819 CG2 ILE H 82 42.323 19.164 0.540 1.00 13.62 C
ATOM 820 CD1 ILE H 82 40.586 21.356 -0.395 1.00 11.68 C
ATOM 821 N SER H 83 45.253 18.985 2.224 1.00 18.69 N
ATOM 822 CA SER H 83 46.242 17.910 2.293 1.00 20.05 C
ATOM 823 C SER H 83 45.665 16.537 2.530 1.00 19.73 C
ATOM 824 O SER H 83 44.618 16.377 3.128 1.00 19.36 O
ATOM 825 CB SER H 83 47.216 18.145 3.434 1.00 23.03 C
ATOM 826 OG SER H 83 47.959 19.327 3.249 1.00 26.00 O
ATOM 827 N MET H 84 46.413 15.552 2.084 1.00 22.24 N
ATOM 828 CA MET H 84 46.063 14.183 2.233 1.00 26.78 C
ATOM 829 C MET H 84 46.962 13.542 3.257 1.00 25.76 C
ATOM 830 O MET H 84 48.116 13.888 3.333 1.00 26.28 O
ATOM 831 CB MET H 84 46.219 13.467 0.911 1.00 33.74 C
ATOM 832 CG MET H 84 45.479 14.169 -0.193 1.00 41.35 C
ATOM 833 SD MET H 84 45.143 13.059 -1.583 1.00 48.68 S
ATOM 834 CE MET H 84 44.748 14.310 -2.849 1.00 50.00 C
ATOM 835 N LEU H 85 46.427 12.602 4.037 1.00 25.10 N
ATOM 836 CA LEU H 85 47.183 11.919 5.071 1.00 24.44 C
ATOM 837 C LEU H 85 48.104 10.796 4.613 1.00 26.85 C
ATOM 838 O LEU H 85 47.772 9.956 3.795 1.00 25.69 O
ATOM 839 CB LEU H 85 46.273 11.360 6.161 1.00 21.87 C
ATOM 840 CG LEU H 85 45.469 12.410 6.874 1.00 18.66 C
ATOM 841 CD1 LEU H 85 44.920 11.789 8.150 1.00 16.98 C
ATOM 842 CD2 LEU H 85 46.361 13.603 7.185 1.00 17.55 C
ATOM 843 N GLU H 86 49.266 10.764 5.197 1.00 28.28 N
ATOM 844 CA GLU H 86 50.211 9.741 4.880 1.00 29.84 C
ATOM 845 C GLU H 86 50.193 8.649 5.931 1.00 25.75 C
ATOM 846 O GLU H 86 50.453 7.508 5.664 1.00 26.76 O
ATOM 847 CB GLU H 86 51.629 10.311 4.725 1.00 35.07 C
ATOM 848 CG GLU H 86 52.678 9.215 4.467 1.00 39.46 C
ATOM 849 CD GLU H 86 54.079 9.743 4.509 1.00 43.55 C
ATOM 850 OE1 GLU H 86 54.582 10.404 3.611 1.00 43.97 O
ATOM 851 OE2 GLU H 86 54.698 9.425 5.627 1.00 45.33 O1-
ATOM 852 N LYS H 87 49.879 9.007 7.141 1.00 23.86 N
ATOM 853 CA LYS H 87 49.863 8.024 8.186 1.00 21.85 C
ATOM 854 C LYS H 87 49.235 8.581 9.454 1.00 15.49 C
ATOM 855 O LYS H 87 49.435 9.731 9.783 1.00 14.08 O
ATOM 856 CB LYS H 87 51.300 7.640 8.454 1.00 28.39 C
ATOM 857 CG LYS H 87 51.474 6.624 9.554 1.00 33.75 C
ATOM 858 CD LYS H 87 50.909 5.290 9.164 1.00 39.33 C
ATOM 859 CE LYS H 87 51.354 4.182 10.081 1.00 45.09 C
ATOM 860 NZ LYS H 87 51.207 2.858 9.446 1.00 49.44 N1+
ATOM 861 N ILE H 88 48.479 7.764 10.153 1.00 12.29 N
ATOM 862 CA ILE H 88 47.838 8.170 11.379 1.00 12.13 C
ATOM 863 C ILE H 88 48.446 7.408 12.580 1.00 14.44 C
ATOM 864 O ILE H 88 48.724 6.220 12.493 1.00 16.36 O
ATOM 865 CB ILE H 88 46.315 7.966 11.300 1.00 10.88 C
ATOM 866 CG1 ILE H 88 45.670 8.860 10.266 1.00 8.44 C
ATOM 867 CG2 ILE H 88 45.613 8.164 12.648 1.00 11.57 C
ATOM 868 CD1 ILE H 88 44.180 8.573 10.166 1.00 6.89 C
ATOM 869 N TYR H 89 48.648 8.106 13.706 1.00 15.63 N
ATOM 870 CA TYR H 89 49.199 7.525 14.915 1.00 16.58 C
ATOM 871 C TYR H 89 48.342 7.819 16.119 1.00 18.91 C
ATOM 872 O TYR H 89 48.221 8.962 16.523 1.00 21.19 O
ATOM 873 CB TYR H 89 50.595 8.059 15.256 1.00 16.32 C
ATOM 874 CG TYR H 89 51.594 7.880 14.158 1.00 17.05 C
ATOM 875 CD1 TYR H 89 51.624 8.757 13.074 1.00 17.94 C
ATOM 876 CD2 TYR H 89 52.507 6.830 14.211 1.00 16.52 C
ATOM 877 CE1 TYR H 89 52.550 8.595 12.041 1.00 18.50 C
ATOM 878 CE2 TYR H 89 53.436 6.647 13.189 1.00 17.97 C
ATOM 879 CZ TYR H 89 53.453 7.531 12.108 1.00 18.94 C
ATOM 880 N ILE H 90 47.778 6.783 16.707 1.00 19.72 N
ATOM 881 CA ILE H 90 46.958 6.911 17.904 1.00 20.48 C
ATOM 882 C ILE H 90 47.702 6.419 19.164 1.00 23.11 C
ATOM 883 O ILE H 90 48.308 5.341 19.133 1.00 22.41 O
ATOM 884 CB ILE H 90 45.673 6.131 17.778 1.00 17.34 C
ATOM 885 CG1 ILE H 90 44.822 6.732 16.699 1.00 15.05 C
ATOM 886 CG2 ILE H 90 44.925 6.099 19.107 1.00 16.38 C
ATOM 887 CD1 ILE H 90 43.370 6.345 16.875 1.00 13.47 C
ATOM 888 N HIE H 91 47.648 7.196 20.264 1.00 24.87 N
ATOM 889 CA HIE H 91 48.306 6.801 21.489 1.00 27.71 C
ATOM 890 C HIE H 91 47.911 5.385 21.858 1.00 30.07 C
ATOM 891 O HIE H 91 46.741 5.079 21.959 1.00 30.74 O
ATOM 892 CB HIE H 91 48.063 7.756 22.655 1.00 28.23 C
ATOM 893 CG HIE H 91 49.031 7.485 23.752 1.00 29.76 C
ATOM 894 ND1 HIE H 91 48.843 6.428 24.643 1.00 28.99 N
ATOM 895 CD2 HIE H 91 50.193 8.120 24.074 1.00 29.87 C
ATOM 896 CE1 HIE H 91 49.870 6.450 25.473 1.00 28.94 C
ATOM 897 NE2 HIE H 91 50.697 7.451 25.161 1.00 29.96 N
ATOM 898 N PRO H 92 48.914 4.524 22.025 1.00 33.95 N
ATOM 899 CA PRO H 92 48.717 3.134 22.329 1.00 32.45 C
ATOM 900 C PRO H 92 47.870 2.867 23.558 1.00 31.54 C
ATOM 901 O PRO H 92 47.157 1.876 23.624 1.00 30.10 O
ATOM 902 CB PRO H 92 50.113 2.550 22.517 1.00 34.31 C
ATOM 903 CG PRO H 92 51.057 3.725 22.746 1.00 35.33 C
ATOM 904 CD PRO H 92 50.258 4.987 22.478 1.00 35.37 C
ATOM 905 N ARG H 93 47.931 3.738 24.537 1.00 31.81 N
ATOM 906 CA ARG H 93 47.130 3.515 25.730 1.00 30.66 C
ATOM 907 C ARG H 93 45.874 4.396 25.826 1.00 28.84 C
ATOM 908 O ARG H 93 45.372 4.700 26.923 1.00 30.06 O
ATOM 909 CB ARG H 93 47.972 3.505 27.013 1.00 29.41 C
ATOM 910 N TYR H 94 45.370 4.803 24.662 1.00 24.92 N
ATOM 911 CA TYR H 94 44.183 5.624 24.568 1.00 20.55 C
ATOM 912 C TYR H 94 43.052 4.757 25.016 1.00 22.58 C
ATOM 913 O TYR H 94 42.808 3.726 24.394 1.00 21.08 O
ATOM 914 CB TYR H 94 43.994 6.054 23.117 1.00 16.55 C
ATOM 915 CG TYR H 94 42.580 6.344 22.708 1.00 13.92 C
ATOM 916 CD1 TYR H 94 41.826 7.319 23.360 1.00 12.91 C
ATOM 917 CD2 TYR H 94 42.002 5.665 21.633 1.00 10.60 C
ATOM 918 CE1 TYR H 94 40.520 7.611 22.971 1.00 9.12 C
ATOM 919 CE2 TYR H 94 40.691 5.941 21.240 1.00 7.96 C
ATOM 920 CZ TYR H 94 39.961 6.916 21.907 1.00 7.42 C
ATOM 921 N ASN H 95 42.392 5.168 26.107 1.00 25.03 N
ATOM 922 CA ASN H 95 41.299 4.429 26.734 1.00 28.89 C
ATOM 923 C ASN H 95 39.916 4.903 26.354 1.00 29.19 C
ATOM 924 O ASN H 95 39.320 5.752 27.026 1.00 28.67 O
ATOM 925 CB ASN H 95 41.513 4.506 28.254 1.00 33.08 C
ATOM 926 CG ASN H 95 40.474 3.835 29.116 1.00 35.60 C
ATOM 927 OD1 ASN H 95 39.583 3.143 28.613 1.00 33.82 O
ATOM 928 ND2 ASN H 95 40.590 4.072 30.436 1.00 37.36 N
ATOM 929 N TRP H 96 39.398 4.331 25.279 1.00 30.20 N
ATOM 930 CA TRP H 96 38.088 4.697 24.773 1.00 32.81 C
ATOM 931 C TRP H 96 36.931 4.013 25.462 1.00 34.99 C
ATOM 932 O TRP H 96 35.774 4.383 25.267 1.00 34.88 O
ATOM 933 CB TRP H 96 38.007 4.522 23.260 1.00 33.91 C
ATOM 934 CG TRP H 96 38.391 3.149 22.848 1.00 34.59 C
ATOM 935 CD1 TRP H 96 39.625 2.719 22.447 1.00 34.99 C
ATOM 936 CD2 TRP H 96 37.545 2.029 22.802 1.00 34.19 C
ATOM 937 NE1 TRP H 96 39.595 1.388 22.143 1.00 34.32 N
ATOM 938 CE2 TRP H 96 38.315 0.939 22.356 1.00 34.77 C
ATOM 939 CE3 TRP H 96 36.203 1.850 23.090 1.00 33.69 C
ATOM 940 CZ2 TRP H 96 37.756 -0.315 22.199 1.00 35.46 C
ATOM 941 CZ3 TRP H 96 35.654 0.612 22.939 1.00 33.99 C
ATOM 942 N ARG H 97 37.254 3.012 26.278 1.00 36.64 N
ATOM 943 CA ARG H 97 36.251 2.260 27.021 1.00 34.79 C
ATOM 944 C ARG H 97 35.766 2.956 28.283 1.00 33.63 C
ATOM 945 O ARG H 97 34.604 2.846 28.634 1.00 32.88 O
ATOM 946 CB ARG H 97 36.721 0.848 27.345 1.00 34.46 C
ATOM 947 N GLU H 97A 36.639 3.674 28.981 1.00 34.08 N
ATOM 948 CA GLU H 97A 36.192 4.324 30.192 1.00 35.20 C
ATOM 949 C GLU H 97A 36.215 5.842 30.261 1.00 32.87 C
ATOM 950 O GLU H 97A 35.168 6.447 30.446 1.00 32.90 O
ATOM 951 CB GLU H 97A 36.681 3.661 31.495 1.00 39.20 C
ATOM 952 CG GLU H 97A 38.159 3.258 31.421 1.00 44.14 C
ATOM 953 CD GLU H 97A 38.776 2.765 32.723 1.00 48.00 C
ATOM 954 OE1 GLU H 97A 38.137 3.178 33.794 1.00 48.30 O
ATOM 955 OE2 GLU H 97A 39.788 2.047 32.760 1.00 49.28 O1-
ATOM 956 N ASN H 98 37.381 6.488 30.143 1.00 29.96 N
ATOM 957 CA ASN H 98 37.369 7.940 30.256 1.00 26.65 C
ATOM 958 C ASN H 98 38.068 8.704 29.160 1.00 26.50 C
ATOM 959 O ASN H 98 38.206 9.923 29.250 1.00 27.35 O
ATOM 960 CB ASN H 98 37.896 8.382 31.621 1.00 24.48 C
ATOM 961 CG ASN H 98 39.110 7.579 31.990 1.00 25.60 C
ATOM 962 OD1 ASN H 98 39.500 6.644 31.242 1.00 27.30 O
ATOM 963 ND2 ASN H 98 39.700 7.901 33.146 1.00 25.60 N
ATOM 964 N LEU H 99 38.496 8.016 28.128 1.00 24.36 N
ATOM 965 CA LEU H 99 39.163 8.693 27.051 1.00 22.96 C
ATOM 966 C LEU H 99 40.531 9.168 27.475 1.00 25.10 C
ATOM 967 O LEU H 99 41.023 10.171 26.964 1.00 27.55 O
ATOM 968 CB LEU H 99 38.340 9.873 26.453 1.00 20.83 C
ATOM 969 CG LEU H 99 37.008 9.475 25.782 1.00 18.78 C
ATOM 970 CD1 LEU H 99 36.313 10.703 25.194 1.00 16.25 C
ATOM 971 CD2 LEU H 99 37.235 8.439 24.677 1.00 19.65 C
ATOM 972 N ASP H 100 41.152 8.457 28.413 1.00 23.92 N
ATOM 973 CA ASP H 100 42.486 8.853 28.869 1.00 24.61 C
ATOM 974 C ASP H 100 43.458 8.816 27.684 1.00 23.50 C
ATOM 975 O ASP H 100 43.388 7.934 26.807 1.00 25.21 O
ATOM 976 CB ASP H 100 42.985 7.986 30.070 1.00 27.04 C
ATOM 977 CG ASP H 100 44.166 8.542 30.845 1.00 28.77 C
ATOM 978 OD1 ASP H 100 44.382 9.729 30.951 1.00 30.94 O
ATOM 979 OD2 ASP H 100 44.914 7.609 31.414 1.00 27.27 O1-
ATOM 980 N ARG H 101 44.356 9.775 27.636 1.00 23.03 N
ATOM 981 CA ARG H 101 45.300 9.818 26.552 1.00 23.19 C
ATOM 982 C ARG H 101 44.604 9.968 25.205 1.00 22.20 C
ATOM 983 O ARG H 101 44.880 9.259 24.249 1.00 23.37 O
ATOM 984 CB ARG H 101 46.249 8.646 26.577 1.00 24.89 C
ATOM 985 CG ARG H 101 46.788 8.455 27.967 1.00 29.29 C
ATOM 986 CD ARG H 101 47.943 7.481 28.049 1.00 34.72 C
ATOM 987 NE ARG H 101 47.959 6.802 29.340 1.00 40.63 N
ATOM 988 CZ ARG H 101 46.951 5.972 29.741 1.00 46.13 C
ATOM 989 N ASP H 102 43.688 10.916 25.146 1.00 18.75 N
ATOM 990 CA ASP H 102 42.969 11.191 23.943 1.00 14.61 C
ATOM 991 C ASP H 102 43.816 12.127 23.038 1.00 12.58 C
ATOM 992 O ASP H 102 43.575 13.325 22.899 1.00 10.55 O
ATOM 993 CB ASP H 102 41.621 11.800 24.294 1.00 14.23 C
ATOM 994 CG ASP H 102 40.768 11.966 23.095 1.00 14.82 C
ATOM 995 OD1 ASP H 102 41.017 11.408 22.024 1.00 14.87 O
ATOM 996 OD2 ASP H 102 39.727 12.745 23.329 1.00 14.98 O1-
ATOM 997 N ILE H 103 44.843 11.550 22.424 1.00 11.29 N
ATOM 998 CA ILE H 103 45.738 12.278 21.567 1.00 10.56 C
ATOM 999 C ILE H 103 46.084 11.449 20.328 1.00 8.99 C
ATOM 1000 O ILE H 103 46.127 10.217 20.381 1.00 7.91 O
ATOM 1001 CB ILE H 103 47.002 12.622 22.398 1.00 10.56 C
ATOM 1002 CG1 ILE H 103 47.984 13.577 21.683 1.00 8.26 C
ATOM 1003 CG2 ILE H 103 47.705 11.341 22.864 1.00 10.82 C
ATOM 1004 CD1 ILE H 103 49.004 14.198 22.633 1.00 6.00 C
ATOM 1005 N ALA H 104 46.340 12.130 19.212 1.00 10.00 N
ATOM 1006 CA ALA H 104 46.688 11.451 17.976 1.00 10.72 C
ATOM 1007 C ALA H 104 47.428 12.355 17.026 1.00 12.07 C
ATOM 1008 O ALA H 104 47.093 13.514 16.887 1.00 14.17 O
ATOM 1009 CB ALA H 104 45.446 10.916 17.286 1.00 10.35 C
ATOM 1010 N LEU H 105 48.437 11.831 16.369 1.00 10.95 N
ATOM 1011 CA LEU H 105 49.172 12.637 15.420 1.00 12.47 C
ATOM 1012 C LEU H 105 48.873 12.181 13.985 1.00 13.26 C
ATOM 1013 O LEU H 105 48.580 11.035 13.730 1.00 13.03 O
ATOM 1014 CB LEU H 105 50.705 12.574 15.653 1.00 11.51 C
ATOM 1015 CG LEU H 105 51.218 13.279 16.896 1.00 9.48 C
ATOM 1016 CD1 LEU H 105 52.652 12.837 17.111 1.00 7.59 C
ATOM 1017 CD2 LEU H 105 51.209 14.789 16.661 1.00 10.74 C
ATOM 1018 N MET H 106 48.961 13.087 13.051 1.00 13.98 N
ATOM 1019 CA MET H 106 48.723 12.749 11.681 1.00 15.69 C
ATOM 1020 C MET H 106 49.832 13.311 10.826 1.00 18.40 C
ATOM 1021 O MET H 106 50.142 14.504 10.895 1.00 19.68 O
ATOM 1022 CB MET H 106 47.406 13.286 11.153 1.00 15.34 C
ATOM 1023 CG MET H 106 46.223 13.049 12.057 1.00 15.74 C
ATOM 1024 SD MET H 106 44.716 13.666 11.274 1.00 16.95 S
ATOM 1025 CE MET H 106 43.750 14.134 12.698 1.00 16.57 C
ATOM 1026 N LYS H 107 50.444 12.440 10.028 1.00 19.55 N
ATOM 1027 CA LYS H 107 51.518 12.840 9.161 1.00 20.09 C
ATOM 1028 C LYS H 107 51.059 13.197 7.732 1.00 20.52 C
ATOM 1029 O LYS H 107 50.571 12.369 6.969 1.00 21.58 O
ATOM 1030 CB LYS H 107 52.626 11.812 9.114 1.00 21.64 C
ATOM 1031 CG LYS H 107 53.778 12.359 8.317 1.00 25.51 C
ATOM 1032 CD LYS H 107 54.843 11.358 7.965 1.00 30.12 C
ATOM 1033 CE LYS H 107 55.825 11.951 6.977 1.00 35.38 C
ATOM 1034 NZ LYS H 107 56.911 11.035 6.608 1.00 39.87 N1+
ATOM 1035 N LEU H 108 51.233 14.436 7.355 1.00 19.83 N
ATOM 1036 CA LEU H 108 50.852 14.842 6.029 1.00 18.97 C
ATOM 1037 C LEU H 108 51.776 14.187 4.963 1.00 21.70 C
ATOM 1038 O LEU H 108 52.935 13.900 5.234 1.00 20.60 O
ATOM 1039 CB LEU H 108 50.871 16.396 5.881 1.00 14.89 C
ATOM 1040 CG LEU H 108 49.976 17.161 6.849 1.00 10.25 C
ATOM 1041 CD1 LEU H 108 49.867 18.589 6.371 1.00 9.00 C
ATOM 1042 CD2 LEU H 108 48.597 16.532 6.919 1.00 9.41 C
ATOM 1043 N LYS H 109 51.232 13.976 3.754 1.00 25.24 N
ATOM 1044 CA LYS H 109 51.935 13.401 2.612 1.00 29.23 C
ATOM 1045 C LYS H 109 53.007 14.336 2.070 1.00 32.10 C
ATOM 1046 O LYS H 109 54.099 13.912 1.686 1.00 35.17 O
ATOM 1047 CB LYS H 109 51.008 13.035 1.479 1.00 31.67 C
ATOM 1048 CG LYS H 109 50.504 11.616 1.524 1.00 34.51 C
ATOM 1049 CD LYS H 109 50.107 11.147 0.135 1.00 38.84 C
ATOM 1050 CE LYS H 109 49.886 9.640 0.026 1.00 43.56 C
ATOM 1051 NZ LYS H 109 48.672 9.154 0.722 1.00 46.90 N1+
ATOM 1052 N LYS H 110 52.684 15.620 2.027 1.00 32.60 N
ATOM 1053 CA LYS H 110 53.620 16.624 1.557 1.00 32.59 C
ATOM 1054 C LYS H 110 53.599 17.804 2.516 1.00 29.34 C
ATOM 1055 O LYS H 110 52.534 18.187 3.007 1.00 28.52 O
ATOM 1056 CB LYS H 110 53.323 17.123 0.158 1.00 36.50 C
ATOM 1057 CG LYS H 110 53.168 16.061 -0.903 1.00 40.55 C
ATOM 1058 CD LYS H 110 52.852 16.679 -2.268 1.00 44.90 C
ATOM 1059 CE LYS H 110 52.621 15.650 -3.378 1.00 48.38 C
ATOM 1060 NZ LYS H 110 51.300 14.963 -3.331 1.00 50.00 N1+
ATOM 1061 N PRO H 111 54.760 18.379 2.776 1.00 25.85 N
ATOM 1062 CA PRO H 111 54.831 19.496 3.672 1.00 26.67 C
ATOM 1063 C PRO H 111 53.986 20.609 3.177 1.00 26.80 C
ATOM 1064 O PRO H 111 53.794 20.718 1.970 1.00 29.55 O
ATOM 1065 CB PRO H 111 56.276 19.940 3.717 1.00 26.58 C
ATOM 1066 CG PRO H 111 57.077 18.826 3.096 1.00 26.93 C
ATOM 1067 CD PRO H 111 56.085 17.802 2.562 1.00 26.02 C
ATOM 1068 N VAL H 112 53.466 21.427 4.105 1.00 24.28 N
ATOM 1069 CA VAL H 112 52.625 22.539 3.715 1.00 21.87 C
ATOM 1070 C VAL H 112 53.399 23.854 3.759 1.00 22.51 C
ATOM 1071 O VAL H 112 54.388 24.000 4.514 1.00 22.17 O
ATOM 1072 CB VAL H 112 51.231 22.570 4.366 1.00 21.14 C
ATOM 1073 CG1 VAL H 112 51.224 23.119 5.783 1.00 20.03 C
ATOM 1074 CG2 VAL H 112 50.276 23.347 3.499 1.00 22.45 C
ATOM 1075 N ALA H 113 52.985 24.812 2.927 1.00 22.44 N
ATOM 1076 CA ALA H 113 53.670 26.088 2.868 1.00 21.66 C
ATOM 1077 C ALA H 113 53.052 27.097 3.756 1.00 18.20 C
ATOM 1078 O ALA H 113 51.895 27.454 3.568 1.00 19.85 O
ATOM 1079 CB ALA H 113 53.691 26.637 1.467 1.00 23.32 C
ATOM 1080 N PHE H 114 53.854 27.560 4.709 1.00 12.96 N
ATOM 1081 CA PHE H 114 53.437 28.537 5.664 1.00 8.62 C
ATOM 1082 C PHE H 114 53.016 29.792 5.008 1.00 9.59 C
ATOM 1083 O PHE H 114 53.490 30.098 3.937 1.00 11.46 O
ATOM 1084 CB PHE H 114 54.539 28.795 6.663 1.00 6.94 C
ATOM 1085 CG PHE H 114 54.745 27.566 7.480 1.00 8.01 C
ATOM 1086 CD1 PHE H 114 53.749 26.607 7.554 1.00 9.44 C
ATOM 1087 CD2 PHE H 114 55.917 27.356 8.195 1.00 10.61 C
ATOM 1088 CE1 PHE H 114 53.904 25.454 8.310 1.00 11.79 C
ATOM 1089 CE2 PHE H 114 56.106 26.208 8.959 1.00 12.41 C
ATOM 1090 CZ PHE H 114 55.089 25.256 9.017 1.00 13.62 C
ATOM 1091 N SER H 115 52.119 30.522 5.650 1.00 8.70 N
ATOM 1092 CA SER H 115 51.648 31.771 5.090 1.00 10.20 C
ATOM 1093 C SER H 115 51.087 32.705 6.146 1.00 14.93 C
ATOM 1094 O SER H 115 51.313 32.517 7.342 1.00 15.22 O
ATOM 1095 CB SER H 115 50.663 31.565 3.970 1.00 9.20 C
ATOM 1096 OG SER H 115 49.447 31.083 4.484 1.00 10.11 O
ATOM 1097 N ASP H 116 50.357 33.724 5.698 1.00 20.09 N
ATOM 1098 CA ASP H 116 49.770 34.670 6.637 1.00 22.64 C
ATOM 1099 C ASP H 116 48.588 34.019 7.310 1.00 20.55 C
ATOM 1100 O ASP H 116 48.094 34.464 8.340 1.00 20.36 O
ATOM 1101 CB ASP H 116 49.313 35.995 5.960 1.00 26.77 C
ATOM 1102 CG ASP H 116 50.442 36.863 5.465 1.00 30.47 C
ATOM 1103 OD1 ASP H 116 51.616 36.602 5.668 1.00 31.27 O
ATOM 1104 OD2 ASP H 116 50.030 37.933 4.803 1.00 32.80 O1-
ATOM 1105 N TYR H 117 48.152 32.944 6.691 1.00 18.15 N
ATOM 1106 CA TYR H 117 47.023 32.205 7.157 1.00 16.33 C
ATOM 1107 C TYR H 117 47.364 30.826 7.721 1.00 15.58 C
ATOM 1108 O TYR H 117 46.585 30.237 8.455 1.00 18.73 O
ATOM 1109 CB TYR H 117 46.020 32.130 6.007 1.00 15.67 C
ATOM 1110 CG TYR H 117 45.668 33.502 5.477 1.00 14.89 C
ATOM 1111 CD1 TYR H 117 44.821 34.342 6.198 1.00 15.33 C
ATOM 1112 CD2 TYR H 117 46.173 33.969 4.264 1.00 14.78 C
ATOM 1113 CE1 TYR H 117 44.460 35.601 5.752 1.00 15.95 C
ATOM 1114 CE2 TYR H 117 45.841 35.233 3.797 1.00 15.78 C
ATOM 1115 CZ TYR H 117 44.982 36.038 4.542 1.00 18.92 C
ATOM 1116 N ILE H 118 48.535 30.335 7.376 1.00 13.91 N
ATOM 1117 CA ILE H 118 49.020 29.046 7.801 1.00 14.19 C
ATOM 1118 C ILE H 118 50.343 29.176 8.551 1.00 16.19 C
ATOM 1119 O ILE H 118 51.374 29.492 7.966 1.00 16.01 O
ATOM 1120 CB ILE H 118 49.143 28.139 6.560 1.00 13.84 C
ATOM 1121 CG1 ILE H 118 47.755 28.034 5.900 1.00 12.91 C
ATOM 1122 CG2 ILE H 118 49.717 26.750 6.893 1.00 11.67 C
ATOM 1123 CD1 ILE H 118 47.761 27.273 4.588 1.00 12.69 C
ATOM 1124 N HIE H 119 50.289 28.938 9.857 1.00 15.66 N
ATOM 1125 CA HIE H 119 51.445 29.022 10.733 1.00 14.28 C
ATOM 1126 C HIE H 119 51.294 28.038 11.898 1.00 12.49 C
ATOM 1127 O HIE H 119 50.182 27.818 12.408 1.00 13.38 O
ATOM 1128 CB HIE H 119 51.644 30.476 11.232 1.00 17.83 C
ATOM 1129 CG HIE H 119 53.025 30.785 11.731 1.00 22.45 C
ATOM 1130 ND1 HIE H 119 54.112 30.933 10.865 1.00 23.36 N
ATOM 1131 CD2 HIE H 119 53.486 30.971 13.007 1.00 23.63 C
ATOM 1132 CE1 HIE H 119 55.180 31.194 11.623 1.00 23.26 C
ATOM 1133 NE2 HIE H 119 54.840 31.224 12.915 1.00 23.19 N
ATOM 1134 N PRO H 120 52.419 27.446 12.323 1.00 9.24 N
ATOM 1135 CA PRO H 120 52.412 26.480 13.404 1.00 8.33 C
ATOM 1136 C PRO H 120 52.315 27.080 14.798 1.00 10.61 C
ATOM 1137 O PRO H 120 52.760 28.179 15.052 1.00 16.38 O
ATOM 1138 CB PRO H 120 53.732 25.721 13.293 1.00 6.66 C
ATOM 1139 CG PRO H 120 54.532 26.353 12.174 1.00 6.00 C
ATOM 1140 CD PRO H 120 53.737 27.533 11.670 1.00 6.26 C
ATOM 1141 N VAL H 121 51.735 26.341 15.715 1.00 9.54 N
ATOM 1142 CA VAL H 121 51.616 26.786 17.088 1.00 7.90 C
ATOM 1143 C VAL H 121 52.742 26.094 17.848 1.00 9.19 C
ATOM 1144 O VAL H 121 53.241 25.073 17.376 1.00 11.61 O
ATOM 1145 CB VAL H 121 50.263 26.335 17.655 1.00 6.97 C
ATOM 1146 CG1 VAL H 121 50.214 24.817 17.748 1.00 6.00 C
ATOM 1147 CG2 VAL H 121 49.983 26.951 19.017 1.00 6.00 C
ATOM 1148 N CYX H 122 53.157 26.603 19.008 1.00 7.28 N
ATOM 1149 CA CYX H 122 54.226 25.920 19.727 1.00 8.58 C
ATOM 1150 C CYX H 122 53.692 24.916 20.754 1.00 8.42 C
ATOM 1151 O CYX H 122 52.564 25.009 21.214 1.00 11.56 O
ATOM 1152 CB CYX H 122 55.173 26.880 20.510 1.00 10.00 C
ATOM 1153 SG CYX H 122 55.729 28.382 19.687 1.00 10.07 S
ATOM 1154 N LEU H 123 54.541 23.968 21.117 1.00 8.93 N
ATOM 1155 CA LEU H 123 54.270 22.973 22.119 1.00 7.86 C
ATOM 1156 C LEU H 123 55.026 23.443 23.349 1.00 10.78 C
ATOM 1157 O LEU H 123 56.161 23.920 23.223 1.00 9.80 O
ATOM 1158 CB LEU H 123 54.771 21.589 21.721 1.00 8.70 C
ATOM 1159 CG LEU H 123 53.851 20.856 20.774 1.00 10.82 C
ATOM 1160 CD1 LEU H 123 54.494 19.532 20.349 1.00 11.91 C
ATOM 1161 CD2 LEU H 123 52.526 20.588 21.479 1.00 11.88 C
ATOM 1162 N PRO H 124 54.412 23.318 24.538 1.00 11.14 N
ATOM 1163 CA PRO H 124 55.041 23.765 25.778 1.00 14.84 C
ATOM 1164 C PRO H 124 56.216 22.898 26.274 1.00 18.65 C
ATOM 1165 O PRO H 124 56.332 21.709 25.948 1.00 19.91 O
ATOM 1166 CB PRO H 124 53.933 23.656 26.822 1.00 10.99 C
ATOM 1167 CG PRO H 124 52.997 22.577 26.325 1.00 9.27 C
ATOM 1168 CD PRO H 124 53.267 22.422 24.840 1.00 10.20 C
ATOM 1169 N ASP H 125 57.073 23.535 27.095 1.00 22.12 N
ATOM 1170 CA ASP H 125 58.230 22.935 27.742 1.00 23.16 C
ATOM 1171 C ASP H 125 57.938 22.888 29.239 1.00 22.75 C
ATOM 1172 O ASP H 125 56.897 23.346 29.667 1.00 22.27 O
ATOM 1173 CB ASP H 125 59.500 23.722 27.450 1.00 26.60 C
ATOM 1174 CG ASP H 125 59.309 25.197 27.634 1.00 30.29 C
ATOM 1175 OD1 ASP H 125 59.110 25.550 28.880 1.00 29.78 O
ATOM 1176 OD2 ASP H 125 59.331 25.987 26.701 1.00 33.54 O1-
ATOM 1177 N ARG H 126 58.824 22.351 30.056 1.00 23.21 N
ATOM 1178 CA ARG H 126 58.551 22.278 31.509 1.00 22.26 C
ATOM 1179 C ARG H 126 58.219 23.599 32.238 1.00 21.83 C
ATOM 1180 O ARG H 126 57.263 23.684 32.998 1.00 23.58 O
ATOM 1181 CB ARG H 126 59.532 21.394 32.286 1.00 20.93 C
ATOM 1182 N GLU H 127 59.011 24.619 32.032 1.00 20.99 N
ATOM 1183 CA GLU H 127 58.760 25.859 32.704 1.00 20.15 C
ATOM 1184 C GLU H 127 57.496 26.536 32.239 1.00 19.18 C
ATOM 1185 O GLU H 127 56.736 27.070 33.045 1.00 18.96 O
ATOM 1186 CB GLU H 127 59.963 26.782 32.644 1.00 21.65 C
ATOM 1187 N THR H 128 57.264 26.506 30.934 1.00 18.64 N
ATOM 1188 CA THR H 128 56.075 27.113 30.368 1.00 18.30 C
ATOM 1189 C THR H 128 54.816 26.483 30.908 1.00 16.74 C
ATOM 1190 O THR H 128 53.906 27.171 31.371 1.00 17.29 O
ATOM 1191 CB THR H 128 56.050 26.997 28.859 1.00 18.23 C
ATOM 1192 OG1 THR H 128 57.100 27.777 28.301 1.00 18.41 O
ATOM 1193 CG2 THR H 128 54.669 27.437 28.369 1.00 17.41 C
ATOM 1194 N ALA H 129 54.781 25.157 30.841 1.00 15.68 N
ATOM 1195 CA ALA H 129 53.651 24.406 31.326 1.00 16.36 C
ATOM 1196 C ALA H 129 53.459 24.667 32.788 1.00 18.99 C
ATOM 1197 O ALA H 129 52.333 24.747 33.287 1.00 22.33 O
ATOM 1198 CB ALA H 129 53.855 22.914 31.115 1.00 15.68 C
ATOM 1199 N ALA H 129A 54.588 24.792 33.472 1.00 18.69 N
ATOM 1200 CA ALA H 129A 54.624 25.030 34.903 1.00 16.09 C
ATOM 1201 C ALA H 129A 54.051 26.356 35.295 1.00 15.64 C
ATOM 1202 O ALA H 129A 53.349 26.472 36.286 1.00 19.04 O
ATOM 1203 CB ALA H 129A 56.032 24.912 35.426 1.00 14.63 C
ATOM 1204 N SER H 129B 54.333 27.365 34.545 1.00 12.35 N
ATOM 1205 CA SER H 129B 53.796 28.612 34.950 1.00 14.31 C
ATOM 1206 C SER H 129B 52.486 29.028 34.298 1.00 17.67 C
ATOM 1207 O SER H 129B 51.776 29.887 34.819 1.00 22.67 O
ATOM 1208 CB SER H 129B 54.834 29.692 34.869 1.00 15.37 C
ATOM 1209 OG SER H 129B 55.541 29.536 33.673 1.00 15.90 O
ATOM 1210 N LEU H 129C 52.142 28.450 33.161 1.00 14.71 N
ATOM 1211 CA LEU H 129C 50.906 28.855 32.545 1.00 10.06 C
ATOM 1212 C LEU H 129C 49.678 28.047 32.972 1.00 10.09 C
ATOM 1213 O LEU H 129C 48.562 28.571 33.034 1.00 10.42 O
ATOM 1214 CB LEU H 129C 51.006 28.939 31.011 1.00 7.44 C
ATOM 1215 CG LEU H 129C 51.961 29.991 30.516 1.00 6.73 C
ATOM 1216 CD1 LEU H 129C 51.868 30.072 28.997 1.00 6.61 C
ATOM 1217 CD2 LEU H 129C 51.593 31.344 31.113 1.00 7.39 C
ATOM 1218 N LEU H 130 49.862 26.773 33.231 1.00 8.40 N
ATOM 1219 CA LEU H 130 48.750 25.956 33.616 1.00 10.66 C
ATOM 1220 C LEU H 130 48.388 26.097 35.058 1.00 11.97 C
ATOM 1221 O LEU H 130 48.639 25.206 35.831 1.00 12.75 O
ATOM 1222 CB LEU H 130 48.973 24.484 33.273 1.00 12.20 C
ATOM 1223 CG LEU H 130 48.415 24.060 31.917 1.00 12.80 C
ATOM 1224 CD1 LEU H 130 48.964 22.676 31.593 1.00 15.84 C
ATOM 1225 CD2 LEU H 130 46.892 23.958 32.003 1.00 8.76 C
ATOM 1226 N GLN H 131 47.819 27.212 35.415 1.00 14.70 N
ATOM 1227 CA GLN H 131 47.435 27.445 36.782 1.00 17.85 C
ATOM 1228 C GLN H 131 45.993 27.876 36.827 1.00 18.21 C
ATOM 1229 O GLN H 131 45.625 28.815 36.113 1.00 20.44 O
ATOM 1230 CB GLN H 131 48.301 28.555 37.419 1.00 22.53 C
ATOM 1231 CG GLN H 131 49.761 28.131 37.471 1.00 26.92 C
ATOM 1232 CD GLN H 131 50.586 29.186 38.181 1.00 30.84 C
ATOM 1233 OE1 GLN H 131 50.527 29.400 39.385 1.00 33.05 O
ATOM 1234 NE2 GLN H 131 51.546 29.904 37.431 1.00 31.23 N
ATOM 1235 N ALA H 132 45.189 27.206 37.653 1.00 13.85 N
ATOM 1236 CA ALA H 132 43.786 27.548 37.767 1.00 12.25 C
ATOM 1237 C ALA H 132 43.565 29.058 37.890 1.00 11.86 C
ATOM 1238 O ALA H 132 44.300 29.738 38.580 1.00 13.43 O
ATOM 1239 CB ALA H 132 43.182 26.853 38.969 1.00 14.80 C
ATOM 1240 N GLY H 133 42.566 29.584 37.195 1.00 11.78 N
ATOM 1241 CA GLY H 133 42.289 30.996 37.254 1.00 11.65 C
ATOM 1242 C GLY H 133 42.793 31.726 36.043 1.00 14.09 C
ATOM 1243 O GLY H 133 42.318 32.813 35.705 1.00 18.39 O
ATOM 1244 N TYR H 134 43.770 31.122 35.407 1.00 13.69 N
ATOM 1245 CA TYR H 134 44.366 31.658 34.214 1.00 14.96 C
ATOM 1246 C TYR H 134 43.479 31.260 33.032 1.00 15.42 C
ATOM 1247 O TYR H 134 42.934 30.146 33.019 1.00 15.75 O
ATOM 1248 CB TYR H 134 45.747 31.034 34.032 1.00 18.99 C
ATOM 1249 CG TYR H 134 46.832 31.585 34.921 1.00 21.53 C
ATOM 1250 CD1 TYR H 134 46.696 32.812 35.568 1.00 23.92 C
ATOM 1251 CD2 TYR H 134 48.014 30.870 35.095 1.00 22.99 C
ATOM 1252 CE1 TYR H 134 47.718 33.312 36.372 1.00 24.99 C
ATOM 1253 CE2 TYR H 134 49.048 31.347 35.898 1.00 24.31 C
ATOM 1254 CZ TYR H 134 48.890 32.577 36.533 1.00 26.29 C
ATOM 1255 N LYS H 135 43.333 32.158 32.048 1.00 15.77 N
ATOM 1256 CA LYS H 135 42.493 31.892 30.877 1.00 15.14 C
ATOM 1257 C LYS H 135 43.214 31.298 29.662 1.00 15.88 C
ATOM 1258 O LYS H 135 44.383 31.577 29.403 1.00 18.62 O
ATOM 1259 CB LYS H 135 41.739 33.124 30.453 1.00 14.54 C
ATOM 1260 CG LYS H 135 40.689 33.586 31.439 1.00 14.41 C
ATOM 1261 CD LYS H 135 40.059 34.911 31.016 1.00 14.89 C
ATOM 1262 CE LYS H 135 38.949 35.360 31.943 1.00 15.63 C
ATOM 1263 NZ LYS H 135 38.116 36.426 31.375 1.00 16.41 N1+
ATOM 1264 N GLY H 136 42.476 30.472 28.920 1.00 12.81 N
ATOM 1265 CA GLY H 136 42.937 29.823 27.716 1.00 12.33 C
ATOM 1266 C GLY H 136 41.961 30.180 26.600 1.00 15.60 C
ATOM 1267 O GLY H 136 40.923 30.801 26.846 1.00 19.42 O
ATOM 1268 N ARG H 137 42.268 29.805 25.370 1.00 14.17 N
ATOM 1269 CA ARG H 137 41.381 30.111 24.271 1.00 11.44 C
ATOM 1270 C ARG H 137 41.030 28.854 23.494 1.00 12.63 C
ATOM 1271 O ARG H 137 41.886 28.027 23.269 1.00 16.16 O
ATOM 1272 CB ARG H 137 42.042 31.135 23.377 1.00 8.11 C
ATOM 1273 CG ARG H 137 41.214 31.553 22.187 1.00 6.00 C
ATOM 1274 CD ARG H 137 41.971 32.506 21.289 1.00 6.00 C
ATOM 1275 NE ARG H 137 41.778 33.855 21.708 1.00 6.00 N
ATOM 1276 CZ ARG H 137 42.415 34.898 21.195 1.00 8.46 C
ATOM 1277 N VAL H 138 39.769 28.704 23.080 1.00 10.63 N
ATOM 1278 CA VAL H 138 39.367 27.537 22.308 1.00 9.32 C
ATOM 1279 C VAL H 138 38.772 28.020 20.995 1.00 9.61 C
ATOM 1280 O VAL H 138 38.102 29.056 20.988 1.00 11.65 O
ATOM 1281 CB VAL H 138 38.385 26.655 23.053 1.00 8.77 C
ATOM 1282 CG1 VAL H 138 38.230 25.310 22.346 1.00 6.88 C
ATOM 1283 CG2 VAL H 138 38.890 26.412 24.459 1.00 10.60 C
ATOM 1284 N THR H 139 39.021 27.301 19.892 1.00 6.00 N
ATOM 1285 CA THR H 139 38.492 27.693 18.600 1.00 6.00 C
ATOM 1286 C THR H 139 37.952 26.527 17.807 1.00 6.00 C
ATOM 1287 O THR H 139 38.485 25.430 17.870 1.00 6.00 O
ATOM 1288 CB THR H 139 39.518 28.478 17.787 1.00 7.15 C
ATOM 1289 OG1 THR H 139 40.799 27.941 18.023 1.00 9.14 O
ATOM 1290 CG2 THR H 139 39.491 29.962 18.133 1.00 7.47 C
ATOM 1291 N GLY H 140 36.887 26.770 17.042 1.00 6.00 N
ATOM 1292 CA GLY H 140 36.304 25.712 16.249 1.00 6.00 C
ATOM 1293 C GLY H 140 35.098 26.174 15.463 1.00 6.00 C
ATOM 1294 O GLY H 140 34.694 27.316 15.595 1.00 6.00 O
ATOM 1295 N TRP H 141 34.560 25.228 14.665 1.00 6.00 N
ATOM 1296 CA TRP H 141 33.403 25.353 13.794 1.00 6.00 C
ATOM 1297 C TRP H 141 32.235 24.429 14.237 1.00 8.34 C
ATOM 1298 O TRP H 141 31.355 24.068 13.446 1.00 9.22 O
ATOM 1299 CB TRP H 141 33.809 24.906 12.384 1.00 6.00 C
ATOM 1300 CG TRP H 141 34.780 25.798 11.718 1.00 6.00 C
ATOM 1301 CD1 TRP H 141 34.511 27.005 11.216 1.00 6.00 C
ATOM 1302 CD2 TRP H 141 36.150 25.545 11.442 1.00 6.00 C
ATOM 1303 NE1 TRP H 141 35.627 27.550 10.664 1.00 6.23 N
ATOM 1304 CE2 TRP H 141 36.656 26.679 10.785 1.00 6.00 C
ATOM 1305 CE3 TRP H 141 37.000 24.478 11.688 1.00 7.69 C
ATOM 1306 CZ2 TRP H 141 37.979 26.777 10.366 1.00 6.00 C
ATOM 1307 CZ3 TRP H 141 38.321 24.564 11.277 1.00 8.79 C
ATOM 1308 N GLY H 142 32.241 24.021 15.504 1.00 9.70 N
ATOM 1309 CA GLY H 142 31.237 23.141 16.038 1.00 8.13 C
ATOM 1310 C GLY H 142 30.014 23.908 16.476 1.00 9.64 C
ATOM 1311 O GLY H 142 30.002 25.156 16.458 1.00 8.47 O
ATOM 1312 N ASN H 143 28.981 23.114 16.873 1.00 12.95 N
ATOM 1313 CA ASN H 143 27.692 23.588 17.324 1.00 12.52 C
ATOM 1314 C ASN H 143 27.800 24.777 18.226 1.00 10.83 C
ATOM 1315 O ASN H 143 28.713 24.873 19.040 1.00 11.94 O
ATOM 1316 CB ASN H 143 26.836 22.492 17.958 1.00 13.98 C
ATOM 1317 CG ASN H 143 26.580 21.309 17.046 1.00 14.98 C
ATOM 1318 OD1 ASN H 143 26.914 21.327 15.839 1.00 16.39 O
ATOM 1319 ND2 ASN H 143 26.002 20.263 17.642 1.00 14.52 N
ATOM 1320 N LEU H 144 26.837 25.671 18.047 1.00 8.23 N
ATOM 1321 CA LEU H 144 26.701 26.910 18.770 1.00 7.34 C
ATOM 1322 C LEU H 144 25.851 26.726 19.986 1.00 8.40 C
ATOM 1323 O LEU H 144 25.831 27.589 20.857 1.00 7.49 O
ATOM 1324 CB LEU H 144 26.062 27.985 17.871 1.00 6.67 C
ATOM 1325 CG LEU H 144 26.906 28.342 16.650 1.00 7.28 C
ATOM 1326 CD1 LEU H 144 26.128 29.274 15.750 1.00 6.04 C
ATOM 1327 CD2 LEU H 144 28.208 29.028 17.077 1.00 8.53 C
ATOM 1328 N LYS H 145 25.146 25.587 20.010 1.00 10.67 N
ATOM 1329 CA LYS H 145 24.255 25.197 21.086 1.00 13.49 C
ATOM 1330 C LYS H 145 24.214 23.739 21.246 1.00 13.12 C
ATOM 1331 O LYS H 145 24.249 22.999 20.262 1.00 13.27 O
ATOM 1332 CB LYS H 145 22.845 25.653 20.862 1.00 20.13 C
ATOM 1333 CG LYS H 145 22.687 27.092 21.249 1.00 28.68 C
ATOM 1334 CD LYS H 145 21.301 27.656 21.040 1.00 35.99 C
ATOM 1335 CE LYS H 145 21.138 28.914 21.885 1.00 42.58 C
ATOM 1336 NZ LYS H 145 22.277 29.866 21.751 1.00 45.16 N1+
ATOM 1337 N GLU H 146 24.105 23.311 22.491 1.00 14.01 N
ATOM 1338 CA GLU H 146 24.029 21.895 22.749 1.00 13.02 C
ATOM 1339 C GLU H 146 22.847 21.303 22.036 1.00 14.24 C
ATOM 1340 O GLU H 146 22.937 20.211 21.492 1.00 14.77 O
ATOM 1341 CB GLU H 146 23.928 21.554 24.215 1.00 12.45 C
ATOM 1342 CG GLU H 146 23.673 20.068 24.387 1.00 11.48 C
ATOM 1343 CD GLU H 146 23.683 19.681 25.803 1.00 14.50 C
ATOM 1344 OE1 GLU H 146 23.910 20.460 26.723 1.00 15.85 O
ATOM 1345 OE2 GLU H 146 23.425 18.421 25.956 1.00 16.26 O1-
ATOM 1346 N THR H 147 21.739 22.050 22.061 1.00 14.41 N
ATOM 1347 CA THR H 147 20.507 21.674 21.414 1.00 15.81 C
ATOM 1348 C THR H 147 19.811 22.847 20.765 1.00 18.41 C
ATOM 1349 O THR H 147 20.101 24.008 21.128 1.00 21.07 O
ATOM 1350 CB THR H 147 19.582 20.870 22.304 1.00 15.49 C
ATOM 1351 OG1 THR H 147 19.699 19.534 21.920 1.00 17.05 O
ATOM 1352 CG2 THR H 147 18.145 21.333 22.164 1.00 17.19 C
ATOM 1353 N TRP H 148 18.896 22.546 19.801 1.00 17.26 N
ATOM 1354 CA TRP H 148 18.154 23.589 19.121 1.00 13.30 C
ATOM 1355 C TRP H 148 17.008 23.050 18.264 1.00 12.16 C
ATOM 1356 O TRP H 148 17.034 21.894 17.812 1.00 12.13 O
ATOM 1357 CB TRP H 148 19.045 24.602 18.344 1.00 11.89 C
ATOM 1358 CG TRP H 148 19.613 23.986 17.123 1.00 13.77 C
ATOM 1359 CD1 TRP H 148 19.017 23.943 15.917 1.00 15.44 C
ATOM 1360 CD2 TRP H 148 20.864 23.288 16.980 1.00 15.33 C
ATOM 1361 NE1 TRP H 148 19.806 23.264 15.015 1.00 17.16 N
ATOM 1362 CE2 TRP H 148 20.947 22.848 15.647 1.00 17.46 C
ATOM 1363 CE3 TRP H 148 21.918 23.005 17.839 1.00 16.70 C
ATOM 1364 CZ2 TRP H 148 22.048 22.136 15.165 1.00 18.24 C
ATOM 1365 CZ3 TRP H 148 23.003 22.307 17.360 1.00 18.04 C
ATOM 1366 N THR H 149 16.020 23.929 18.061 1.00 10.94 N
ATOM 1367 CA THR H 149 14.826 23.723 17.278 1.00 12.25 C
ATOM 1368 C THR H 149 15.198 23.484 15.823 1.00 13.60 C
ATOM 1369 O THR H 149 15.710 24.351 15.141 1.00 13.53 O
ATOM 1370 CB THR H 149 13.889 24.951 17.393 1.00 12.87 C
ATOM 1371 OG1 THR H 149 13.434 25.078 18.738 1.00 14.02 O
ATOM 1372 CG2 THR H 149 12.712 24.891 16.400 1.00 11.12 C
ATOM 1373 N ALA H 149A 14.922 22.278 15.378 1.00 14.95 N
ATOM 1374 CA ALA H 149A 15.209 21.834 14.055 1.00 12.90 C
ATOM 1375 C ALA H 149A 14.661 22.706 12.965 1.00 15.05 C
ATOM 1376 O ALA H 149A 13.556 23.220 13.053 1.00 17.41 O
ATOM 1377 CB ALA H 149A 14.636 20.456 13.905 1.00 12.64 C
ATOM 1378 N ASN H 149B 15.435 22.850 11.917 1.00 15.78 N
ATOM 1379 CA ASN H 149B 15.020 23.619 10.779 1.00 17.40 C
ATOM 1380 C ASN H 149B 14.748 25.058 11.024 1.00 19.98 C
ATOM 1381 O ASN H 149B 14.433 25.751 10.080 1.00 23.05 O
ATOM 1382 CB ASN H 149B 13.823 22.973 10.102 1.00 20.20 C
ATOM 1383 CG ASN H 149B 14.176 21.554 9.724 1.00 23.83 C
ATOM 1384 OD1 ASN H 149B 15.278 21.313 9.221 1.00 25.05 O
ATOM 1385 ND2 ASN H 149B 13.265 20.606 9.974 1.00 24.92 N
ATOM 1386 N VAL H 149C 14.843 25.519 12.268 1.00 22.57 N
ATOM 1387 CA VAL H 149C 14.611 26.927 12.554 1.00 25.23 C
ATOM 1388 C VAL H 149C 15.924 27.549 12.947 1.00 31.06 C
ATOM 1389 O VAL H 149C 16.191 27.839 14.122 1.00 32.33 O
ATOM 1390 CB VAL H 149C 13.632 27.172 13.666 1.00 23.37 C
ATOM 1391 CG1 VAL H 149C 13.374 28.667 13.750 1.00 20.67 C
ATOM 1392 CG2 VAL H 149C 12.348 26.367 13.486 1.00 24.28 C
ATOM 1393 N GLY H 149D 16.770 27.728 11.960 1.00 34.85 N
ATOM 1394 CA GLY H 149D 18.072 28.292 12.198 1.00 38.08 C
ATOM 1395 C GLY H 149D 19.135 27.416 11.581 1.00 41.73 C
ATOM 1396 O GLY H 149D 18.895 26.776 10.545 1.00 42.72 O
ATOM 1397 N LYS H 149E 20.305 27.403 12.243 1.00 42.12 N
ATOM 1398 CA LYS H 149E 21.495 26.625 11.861 1.00 39.87 C
ATOM 1399 C LYS H 149E 22.434 26.490 13.054 1.00 35.48 C
ATOM 1400 O LYS H 149E 23.058 27.454 13.512 1.00 33.28 O
ATOM 1401 CB LYS H 149E 22.212 27.201 10.633 1.00 40.57 C
ATOM 1402 N GLY H 150 22.508 25.275 13.560 1.00 33.17 N
ATOM 1403 CA GLY H 150 23.337 24.980 14.703 1.00 29.82 C
ATOM 1404 C GLY H 150 24.804 25.300 14.504 1.00 25.55 C
ATOM 1405 O GLY H 150 25.520 25.453 15.477 1.00 25.56 O
ATOM 1406 N GLN H 151 25.244 25.392 13.247 1.00 21.12 N
ATOM 1407 CA GLN H 151 26.620 25.663 12.958 1.00 20.07 C
ATOM 1408 C GLN H 151 26.915 27.072 12.536 1.00 20.24 C
ATOM 1409 O GLN H 151 26.122 27.680 11.827 1.00 24.62 O
ATOM 1410 CB GLN H 151 27.176 24.709 11.931 1.00 22.88 C
ATOM 1411 CG GLN H 151 27.036 23.250 12.347 1.00 28.26 C
ATOM 1412 CD GLN H 151 25.725 22.636 11.924 1.00 34.06 C
ATOM 1413 OE1 GLN H 151 25.007 23.181 11.053 1.00 36.38 O
ATOM 1414 NE2 GLN H 151 25.402 21.481 12.522 1.00 37.00 N
ATOM 1415 N PRO H 152 28.094 27.570 12.969 1.00 14.10 N
ATOM 1416 CA PRO H 152 28.601 28.906 12.691 1.00 11.65 C
ATOM 1417 C PRO H 152 29.111 29.056 11.255 1.00 13.12 C
ATOM 1418 O PRO H 152 29.513 28.067 10.659 1.00 13.68 O
ATOM 1419 CB PRO H 152 29.797 29.041 13.626 1.00 11.57 C
ATOM 1420 CG PRO H 152 30.203 27.642 14.071 1.00 10.59 C
ATOM 1421 CD PRO H 152 29.068 26.728 13.708 1.00 10.74 C
ATOM 1422 N SER H 153 29.114 30.303 10.698 1.00 15.00 N
ATOM 1423 CA SER H 153 29.587 30.544 9.313 1.00 16.84 C
ATOM 1424 C SER H 153 31.079 30.631 9.232 1.00 15.79 C
ATOM 1425 O SER H 153 31.678 30.313 8.204 1.00 18.58 O
ATOM 1426 CB SER H 153 29.103 31.839 8.712 1.00 20.74 C
ATOM 1427 OG SER H 153 27.805 32.104 9.146 1.00 26.26 O
ATOM 1428 N VAL H 154 31.673 31.099 10.311 1.00 12.67 N
ATOM 1429 CA VAL H 154 33.081 31.236 10.356 1.00 8.73 C
ATOM 1430 C VAL H 154 33.587 30.720 11.659 1.00 8.37 C
ATOM 1431 O VAL H 154 32.796 30.438 12.561 1.00 8.92 O
ATOM 1432 CB VAL H 154 33.484 32.681 10.154 1.00 8.56 C
ATOM 1433 CG1 VAL H 154 32.951 33.193 8.827 1.00 9.06 C
ATOM 1434 CG2 VAL H 154 32.937 33.530 11.285 1.00 8.29 C
ATOM 1435 N LEU H 155 34.914 30.596 11.734 1.00 7.77 N
ATOM 1436 CA LEU H 155 35.597 30.124 12.905 1.00 6.00 C
ATOM 1437 C LEU H 155 35.157 30.948 14.118 1.00 7.14 C
ATOM 1438 O LEU H 155 35.117 32.202 14.063 1.00 6.00 O
ATOM 1439 CB LEU H 155 37.105 30.222 12.643 1.00 6.96 C
ATOM 1440 CG LEU H 155 38.000 29.639 13.722 1.00 7.26 C
ATOM 1441 CD1 LEU H 155 37.835 28.128 13.776 1.00 8.49 C
ATOM 1442 CD2 LEU H 155 39.442 29.997 13.426 1.00 6.00 C
ATOM 1443 N GLN H 156 34.807 30.221 15.205 1.00 7.97 N
ATOM 1444 CA GLN H 156 34.347 30.784 16.489 1.00 8.70 C
ATOM 1445 C GLN H 156 35.437 30.716 17.577 1.00 9.89 C
ATOM 1446 O GLN H 156 36.190 29.750 17.662 1.00 10.68 O
ATOM 1447 CB GLN H 156 33.098 30.035 17.004 1.00 7.75 C
ATOM 1448 CG GLN H 156 31.885 30.366 16.147 1.00 6.65 C
ATOM 1449 CD GLN H 156 31.675 31.867 16.098 1.00 6.49 C
ATOM 1450 OE1 GLN H 156 31.162 32.513 17.003 1.00 7.55 O
ATOM 1451 NE2 GLN H 156 32.181 32.578 14.985 1.00 6.00 N
ATOM 1452 N VAL H 157 35.513 31.720 18.424 1.00 10.14 N
ATOM 1453 CA VAL H 157 36.520 31.729 19.481 1.00 10.77 C
ATOM 1454 C VAL H 157 35.966 32.087 20.852 1.00 10.44 C
ATOM 1455 O VAL H 157 35.141 33.000 20.991 1.00 12.42 O
ATOM 1456 CB VAL H 157 37.722 32.621 19.122 1.00 10.84 C
ATOM 1457 CG1 VAL H 157 37.235 33.970 18.653 1.00 11.21 C
ATOM 1458 CG2 VAL H 157 38.571 32.864 20.352 1.00 10.90 C
ATOM 1459 N VAL H 158 36.439 31.357 21.859 1.00 9.75 N
ATOM 1460 CA VAL H 158 36.035 31.573 23.237 1.00 9.12 C
ATOM 1461 C VAL H 158 37.263 31.464 24.149 1.00 12.69 C
ATOM 1462 O VAL H 158 38.197 30.693 23.859 1.00 12.39 O
ATOM 1463 CB VAL H 158 34.960 30.576 23.693 1.00 10.88 C
ATOM 1464 CG1 VAL H 158 35.595 29.213 24.000 1.00 11.44 C
ATOM 1465 CG2 VAL H 158 34.245 31.065 24.943 1.00 12.56 C
ATOM 1466 N ASN H 159 37.240 32.249 25.251 1.00 14.37 N
ATOM 1467 CA ASN H 159 38.292 32.293 26.267 1.00 14.43 C
ATOM 1468 C ASN H 159 37.757 31.739 27.582 1.00 14.79 C
ATOM 1469 O ASN H 159 36.845 32.297 28.171 1.00 14.89 O
ATOM 1470 CB ASN H 159 38.803 33.716 26.477 1.00 16.42 C
ATOM 1471 CG ASN H 159 39.481 34.283 25.251 1.00 19.74 C
ATOM 1472 OD1 ASN H 159 40.035 33.514 24.450 1.00 22.36 O
ATOM 1473 ND2 ASN H 159 39.454 35.624 25.095 1.00 18.66 N
ATOM 1474 N LEU H 160 38.320 30.630 28.034 1.00 15.98 N
ATOM 1475 CA LEU H 160 37.882 29.995 29.259 1.00 17.14 C
ATOM 1476 C LEU H 160 38.999 29.847 30.308 1.00 19.10 C
ATOM 1477 O LEU H 160 40.152 29.585 29.985 1.00 22.43 O
ATOM 1478 CB LEU H 160 37.338 28.598 28.924 1.00 15.50 C
ATOM 1479 CG LEU H 160 36.332 28.600 27.783 1.00 13.54 C
ATOM 1480 CD1 LEU H 160 36.013 27.149 27.358 1.00 11.25 C
ATOM 1481 CD2 LEU H 160 35.071 29.365 28.201 1.00 12.57 C
ATOM 1482 N PRO H 161 38.642 29.983 31.580 1.00 19.39 N
ATOM 1483 CA PRO H 161 39.592 29.853 32.652 1.00 17.31 C
ATOM 1484 C PRO H 161 39.757 28.414 33.075 1.00 13.81 C
ATOM 1485 O PRO H 161 38.832 27.609 32.928 1.00 11.65 O
ATOM 1486 CB PRO H 161 38.992 30.566 33.840 1.00 20.17 C
ATOM 1487 CG PRO H 161 37.502 30.622 33.570 1.00 21.14 C
ATOM 1488 CD PRO H 161 37.333 30.442 32.072 1.00 21.25 C
ATOM 1489 N ILE H 162 40.951 28.121 33.623 1.00 12.41 N
ATOM 1490 CA ILE H 162 41.296 26.805 34.111 1.00 13.00 C
ATOM 1491 C ILE H 162 40.684 26.611 35.473 1.00 16.60 C
ATOM 1492 O ILE H 162 40.651 27.537 36.272 1.00 18.75 O
ATOM 1493 CB ILE H 162 42.795 26.603 34.168 1.00 11.57 C
ATOM 1494 CG1 ILE H 162 43.381 26.737 32.768 1.00 11.55 C
ATOM 1495 CG2 ILE H 162 43.110 25.237 34.771 1.00 11.03 C
ATOM 1496 CD1 ILE H 162 44.859 26.413 32.721 1.00 12.40 C
ATOM 1497 N VAL H 163 40.190 25.419 35.743 1.00 17.74 N
ATOM 1498 CA VAL H 163 39.547 25.129 37.011 1.00 17.98 C
ATOM 1499 C VAL H 163 40.369 24.204 37.896 1.00 20.74 C
ATOM 1500 O VAL H 163 41.022 23.286 37.409 1.00 21.87 O
ATOM 1501 CB VAL H 163 38.146 24.553 36.743 1.00 16.71 C
ATOM 1502 CG1 VAL H 163 37.555 23.891 37.970 1.00 15.51 C
ATOM 1503 CG2 VAL H 163 37.191 25.633 36.245 1.00 15.87 C
ATOM 1504 N GLU H 164 40.313 24.466 39.211 1.00 22.27 N
ATOM 1505 CA GLU H 164 41.017 23.692 40.229 1.00 23.37 C
ATOM 1506 C GLU H 164 40.631 22.224 40.180 1.00 20.46 C
ATOM 1507 O GLU H 164 39.474 21.908 40.253 1.00 16.99 O
ATOM 1508 CB GLU H 164 40.715 24.212 41.646 1.00 28.32 C
ATOM 1509 CG GLU H 164 40.889 25.727 41.827 1.00 32.64 C
ATOM 1510 CD GLU H 164 39.778 26.508 41.191 1.00 37.69 C
ATOM 1511 OE1 GLU H 164 38.801 25.983 40.693 1.00 38.94 O
ATOM 1512 OE2 GLU H 164 39.973 27.814 41.221 1.00 40.27 O1-
ATOM 1513 N ARG H 165 41.623 21.355 40.079 1.00 24.61 N
ATOM 1514 CA ARG H 165 41.450 19.916 40.020 1.00 29.77 C
ATOM 1515 C ARG H 165 40.319 19.334 40.840 1.00 33.96 C
ATOM 1516 O ARG H 165 39.438 18.635 40.314 1.00 36.24 O
ATOM 1517 CB ARG H 165 42.718 19.139 40.241 1.00 32.67 C
ATOM 1518 CG ARG H 165 43.391 18.811 38.940 1.00 36.99 C
ATOM 1519 CD ARG H 165 44.106 17.473 39.041 1.00 41.10 C
ATOM 1520 NE ARG H 165 43.795 16.654 37.890 1.00 45.20 N
ATOM 1521 CZ ARG H 165 44.209 16.984 36.693 1.00 49.05 C
ATOM 1522 N PRO H 166 40.354 19.609 42.136 1.00 31.38 N
ATOM 1523 CA PRO H 166 39.329 19.129 43.040 1.00 29.81 C
ATOM 1524 C PRO H 166 37.919 19.485 42.491 1.00 27.32 C
ATOM 1525 O PRO H 166 37.027 18.631 42.409 1.00 25.59 O
ATOM 1526 CB PRO H 166 39.597 19.805 44.380 1.00 28.70 C
ATOM 1527 CG PRO H 166 40.788 20.730 44.192 1.00 28.88 C
ATOM 1528 CD PRO H 166 41.289 20.548 42.776 1.00 30.68 C
ATOM 1529 N VAL H 167 37.742 20.754 42.093 1.00 27.04 N
ATOM 1530 CA VAL H 167 36.492 21.200 41.530 1.00 25.53 C
ATOM 1531 C VAL H 167 36.113 20.323 40.316 1.00 27.02 C
ATOM 1532 O VAL H 167 34.975 19.920 40.174 1.00 27.31 O
ATOM 1533 CB VAL H 167 36.554 22.673 41.132 1.00 23.55 C
ATOM 1534 CG1 VAL H 167 35.286 23.103 40.405 1.00 21.82 C
ATOM 1535 CG2 VAL H 167 36.769 23.535 42.356 1.00 23.76 C
ATOM 1536 N CYX H 168 37.083 20.022 39.428 1.00 28.68 N
ATOM 1537 CA CYX H 168 36.810 19.188 38.249 1.00 29.73 C
ATOM 1538 C CYX H 168 36.369 17.806 38.666 1.00 30.75 C
ATOM 1539 O CYX H 168 35.356 17.278 38.189 1.00 31.01 O
ATOM 1540 CB CYX H 168 38.005 19.045 37.257 1.00 30.20 C
ATOM 1541 SG CYX H 168 38.761 20.600 36.714 1.00 28.96 S
ATOM 1542 N LYS H 169 37.169 17.231 39.560 1.00 32.50 N
ATOM 1543 CA LYS H 169 36.907 15.921 40.073 1.00 33.52 C
ATOM 1544 C LYS H 169 35.491 15.830 40.631 1.00 36.85 C
ATOM 1545 O LYS H 169 34.792 14.842 40.418 1.00 38.43 O
ATOM 1546 CB LYS H 169 37.957 15.521 41.094 1.00 30.02 C
ATOM 1547 N ASP H 170 35.047 16.866 41.337 1.00 38.93 N
ATOM 1548 CA ASP H 170 33.703 16.834 41.896 1.00 42.30 C
ATOM 1549 C ASP H 170 32.575 17.030 40.888 1.00 44.00 C
ATOM 1550 O ASP H 170 31.406 16.911 41.241 1.00 46.59 O
ATOM 1551 CB ASP H 170 33.505 17.821 43.053 1.00 44.73 C
ATOM 1552 CG ASP H 170 34.278 17.477 44.293 1.00 48.96 C
ATOM 1553 OD1 ASP H 170 34.467 16.326 44.685 1.00 50.00 O
ATOM 1554 OD2 ASP H 170 34.713 18.549 44.932 1.00 50.00 O1-
ATOM 1555 N SER H 171 32.889 17.346 39.647 1.00 41.51 N
ATOM 1556 CA SER H 171 31.825 17.574 38.701 1.00 37.13 C
ATOM 1557 C SER H 171 31.451 16.382 37.845 1.00 37.05 C
ATOM 1558 O SER H 171 30.487 16.452 37.087 1.00 38.48 O
ATOM 1559 CB SER H 171 32.079 18.813 37.842 1.00 34.16 C
ATOM 1560 OG SER H 171 33.129 18.575 36.921 1.00 31.41 O
ATOM 1561 N THR H 172 32.188 15.293 37.932 1.00 37.23 N
ATOM 1562 CA THR H 172 31.846 14.161 37.084 1.00 38.84 C
ATOM 1563 C THR H 172 31.884 12.855 37.804 1.00 40.56 C
ATOM 1564 O THR H 172 32.644 12.641 38.754 1.00 42.59 O
ATOM 1565 CB THR H 172 32.892 14.001 35.975 1.00 39.88 C
ATOM 1566 OG1 THR H 172 33.327 15.251 35.516 1.00 42.83 O
ATOM 1567 CG2 THR H 172 32.331 13.167 34.841 1.00 39.21 C
ATOM 1568 N ARG H 173 31.103 11.943 37.331 1.00 38.90 N
ATOM 1569 CA ARG H 173 31.147 10.680 37.957 1.00 38.36 C
ATOM 1570 C ARG H 173 32.300 9.960 37.319 1.00 38.24 C
ATOM 1571 O ARG H 173 32.763 8.920 37.788 1.00 41.53 O
ATOM 1572 CB ARG H 173 29.833 9.935 37.761 1.00 39.84 C
ATOM 1573 N ILE H 174 32.763 10.560 36.222 1.00 34.39 N
ATOM 1574 CA ILE H 174 33.849 10.008 35.449 1.00 32.35 C
ATOM 1575 C ILE H 174 35.197 10.060 36.134 1.00 30.48 C
ATOM 1576 O ILE H 174 35.461 10.961 36.924 1.00 29.76 O
ATOM 1577 CB ILE H 174 33.875 10.538 34.024 1.00 30.85 C
ATOM 1578 CG1 ILE H 174 32.483 10.390 33.436 1.00 30.89 C
ATOM 1579 CG2 ILE H 174 34.840 9.717 33.189 1.00 31.75 C
ATOM 1580 CD1 ILE H 174 32.457 10.372 31.913 1.00 31.87 C
ATOM 1581 N ARG H 175 36.042 9.057 35.829 1.00 30.82 N
ATOM 1582 CA ARG H 175 37.374 8.972 36.397 1.00 30.78 C
ATOM 1583 C ARG H 175 38.322 9.816 35.580 1.00 28.10 C
ATOM 1584 O ARG H 175 38.695 9.481 34.453 1.00 27.08 O
ATOM 1585 CB ARG H 175 37.911 7.543 36.552 1.00 33.72 C
ATOM 1586 CG ARG H 175 39.186 7.527 37.408 1.00 38.60 C
ATOM 1587 CD ARG H 175 39.943 6.196 37.486 1.00 42.86 C
ATOM 1588 NE ARG H 175 40.656 5.824 36.258 1.00 46.02 N
ATOM 1589 CZ ARG H 175 40.112 5.053 35.318 1.00 48.70 C
ATOM 1590 N ILE H 176 38.705 10.925 36.146 1.00 25.52 N
ATOM 1591 CA ILE H 176 39.593 11.788 35.444 1.00 24.42 C
ATOM 1592 C ILE H 176 41.013 11.463 35.809 1.00 21.58 C
ATOM 1593 O ILE H 176 41.304 11.137 36.932 1.00 20.25 O
ATOM 1594 CB ILE H 176 39.273 13.266 35.680 1.00 25.70 C
ATOM 1595 CG1 ILE H 176 39.828 13.717 37.014 1.00 24.91 C
ATOM 1596 CG2 ILE H 176 37.753 13.515 35.610 1.00 25.29 C
ATOM 1597 CD1 ILE H 176 39.338 15.109 37.392 1.00 26.63 C
ATOM 1598 N THR H 177 41.899 11.563 34.853 1.00 20.75 N
ATOM 1599 CA THR H 177 43.287 11.269 35.106 1.00 20.73 C
ATOM 1600 C THR H 177 44.168 12.524 35.169 1.00 22.85 C
ATOM 1601 O THR H 177 43.679 13.653 35.145 1.00 23.80 O
ATOM 1602 CB THR H 177 43.793 10.268 34.068 1.00 17.98 C
ATOM 1603 OG1 THR H 177 44.145 10.933 32.864 1.00 17.80 O
ATOM 1604 CG2 THR H 177 42.652 9.294 33.795 1.00 17.78 C
ATOM 1605 N ASP H 178 45.476 12.311 35.256 1.00 25.61 N
ATOM 1606 CA ASP H 178 46.465 13.381 35.307 1.00 28.35 C
ATOM 1607 C ASP H 178 46.796 13.841 33.916 1.00 22.77 C
ATOM 1608 O ASP H 178 47.627 14.725 33.711 1.00 21.72 O
ATOM 1609 CB ASP H 178 47.761 12.951 36.022 1.00 36.24 C
ATOM 1610 CG ASP H 178 47.628 12.937 37.503 1.00 43.26 C
ATOM 1611 OD1 ASP H 178 46.547 13.057 38.087 1.00 44.95 O
ATOM 1612 OD2 ASP H 178 48.791 12.799 38.095 1.00 46.11 O1-
ATOM 1613 N ASN H 179 46.129 13.193 32.971 1.00 19.12 N
ATOM 1614 CA ASN H 179 46.274 13.462 31.566 1.00 16.41 C
ATOM 1615 C ASN H 179 45.160 14.342 31.066 1.00 16.48 C
ATOM 1616 O ASN H 179 44.969 14.477 29.860 1.00 17.32 O
ATOM 1617 CB ASN H 179 46.242 12.170 30.779 1.00 13.78 C
ATOM 1618 CG ASN H 179 47.295 11.243 31.235 1.00 13.37 C
ATOM 1619 OD1 ASN H 179 48.339 11.677 31.736 1.00 14.80 O
ATOM 1620 ND2 ASN H 179 47.042 9.964 31.052 1.00 13.73 N
ATOM 1621 N MET H 180 44.415 14.917 32.016 1.00 14.42 N
ATOM 1622 CA MET H 180 43.313 15.759 31.691 1.00 12.31 C
ATOM 1623 C MET H 180 43.376 17.017 32.463 1.00 11.50 C
ATOM 1624 O MET H 180 44.129 17.133 33.389 1.00 13.87 O
ATOM 1625 CB MET H 180 42.003 15.076 32.070 1.00 10.97 C
ATOM 1626 CG MET H 180 41.870 13.698 31.491 1.00 13.28 C
ATOM 1627 SD MET H 180 40.415 12.827 32.118 1.00 15.27 S
ATOM 1628 CE MET H 180 40.669 11.222 31.314 1.00 15.69 C
ATOM 1629 N PHE H 181 42.564 17.948 32.065 1.00 8.65 N
ATOM 1630 CA PHE H 181 42.460 19.194 32.729 1.00 9.56 C
ATOM 1631 C PHE H 181 41.126 19.812 32.405 1.00 11.35 C
ATOM 1632 O PHE H 181 40.558 19.478 31.375 1.00 11.46 O
ATOM 1633 CB PHE H 181 43.708 20.096 32.718 1.00 9.87 C
ATOM 1634 CG PHE H 181 43.853 20.973 31.504 1.00 9.92 C
ATOM 1635 CD1 PHE H 181 42.982 22.030 31.280 1.00 9.67 C
ATOM 1636 CD2 PHE H 181 44.881 20.750 30.594 1.00 10.01 C
ATOM 1637 CE1 PHE H 181 43.116 22.844 30.155 1.00 10.82 C
ATOM 1638 CE2 PHE H 181 45.037 21.555 29.466 1.00 10.12 C
ATOM 1639 CZ PHE H 181 44.149 22.604 29.250 1.00 10.95 C
ATOM 1640 N CYX H 182 40.582 20.652 33.284 1.00 12.18 N
ATOM 1641 CA CYX H 182 39.296 21.197 32.960 1.00 15.39 C
ATOM 1642 C CYX H 182 39.277 22.705 32.931 1.00 15.08 C
ATOM 1643 O CYX H 182 40.116 23.348 33.562 1.00 16.13 O
ATOM 1644 CB CYX H 182 38.106 20.536 33.734 1.00 22.74 C
ATOM 1645 SG CYX H 182 37.548 21.324 35.278 1.00 27.16 S
ATOM 1646 N ALA H 183 38.319 23.265 32.169 1.00 13.75 N
ATOM 1647 CA ALA H 183 38.185 24.708 32.041 1.00 11.32 C
ATOM 1648 C ALA H 183 36.744 25.088 31.901 1.00 13.35 C
ATOM 1649 O ALA H 183 35.944 24.243 31.510 1.00 15.06 O
ATOM 1650 CB ALA H 183 39.001 25.245 30.892 1.00 9.76 C
ATOM 1651 N GLY H 184 36.414 26.357 32.231 1.00 14.67 N
ATOM 1652 CA GLY H 184 35.031 26.850 32.149 1.00 14.92 C
ATOM 1653 C GLY H 184 34.687 27.777 33.306 1.00 17.19 C
ATOM 1654 O GLY H 184 35.347 27.779 34.334 1.00 19.69 O
ATOM 1655 N TYR H 184A 33.661 28.583 33.152 1.00 18.04 N
ATOM 1656 CA TYR H 184A 33.317 29.459 34.224 1.00 20.05 C
ATOM 1657 C TYR H 184A 32.507 28.703 35.246 1.00 24.53 C
ATOM 1658 O TYR H 184A 31.970 27.653 34.932 1.00 24.87 O
ATOM 1659 CB TYR H 184A 32.560 30.678 33.721 1.00 21.18 C
ATOM 1660 CG TYR H 184A 33.444 31.580 32.896 1.00 21.81 C
ATOM 1661 CD1 TYR H 184A 33.568 31.388 31.524 1.00 21.95 C
ATOM 1662 CD2 TYR H 184A 34.157 32.618 33.487 1.00 22.29 C
ATOM 1663 CE1 TYR H 184A 34.384 32.203 30.744 1.00 22.96 C
ATOM 1664 CE2 TYR H 184A 34.977 33.446 32.720 1.00 22.62 C
ATOM 1665 CZ TYR H 184A 35.095 33.243 31.343 1.00 22.60 C
ATOM 1666 N LYS H 185 32.426 29.219 36.484 1.00 28.48 N
ATOM 1667 CA LYS H 185 31.655 28.555 37.534 1.00 29.58 C
ATOM 1668 C LYS H 185 30.303 29.221 37.608 1.00 29.73 C
ATOM 1669 O LYS H 185 30.173 30.376 37.216 1.00 31.53 O
ATOM 1670 CB LYS H 185 32.363 28.603 38.871 1.00 30.26 C
ATOM 1671 CG LYS H 185 33.628 27.762 38.929 1.00 33.27 C
ATOM 1672 CD LYS H 185 34.566 28.211 40.055 1.00 36.20 C
ATOM 1673 CE LYS H 185 35.837 27.366 40.214 1.00 36.16 C
ATOM 1674 NZ LYS H 185 36.710 27.826 41.317 1.00 35.46 N1+
ATOM 1675 N PRO H 186 29.295 28.514 38.085 1.00 29.02 N
ATOM 1676 CA PRO H 186 27.968 29.076 38.155 1.00 28.89 C
ATOM 1677 C PRO H 186 27.859 30.468 38.743 1.00 32.46 C
ATOM 1678 O PRO H 186 27.098 31.304 38.244 1.00 34.03 O
ATOM 1679 CB PRO H 186 27.063 28.048 38.797 1.00 27.87 C
ATOM 1680 CG PRO H 186 27.802 26.718 38.696 1.00 29.02 C
ATOM 1681 CD PRO H 186 29.251 27.050 38.316 1.00 29.32 C
ATOM 1682 N ASP H 186A 28.622 30.742 39.773 1.00 34.61 N
ATOM 1683 CA ASP H 186A 28.573 32.068 40.366 1.00 40.00 C
ATOM 1684 C ASP H 186A 29.455 33.048 39.592 1.00 41.98 C
ATOM 1685 O ASP H 186A 29.621 34.197 39.990 1.00 44.76 O
ATOM 1686 CB ASP H 186A 29.105 32.007 41.803 1.00 44.93 C
ATOM 1687 CG ASP H 186A 30.528 31.468 41.820 1.00 48.71 C
ATOM 1688 OD1 ASP H 186A 30.570 30.185 41.499 1.00 50.00 O
ATOM 1689 OD2 ASP H 186A 31.535 32.146 42.080 1.00 49.13 O1-
ATOM 1690 N GLU H 186B 30.044 32.587 38.493 1.00 40.97 N
ATOM 1691 CA GLU H 186B 30.941 33.421 37.708 1.00 39.40 C
ATOM 1692 C GLU H 186B 30.337 34.478 36.800 1.00 39.34 C
ATOM 1693 O GLU H 186B 31.028 35.416 36.393 1.00 40.97 O
ATOM 1694 CB GLU H 186B 32.099 32.655 37.069 1.00 38.65 C
ATOM 1695 CG GLU H 186B 33.007 32.007 38.110 1.00 38.81 C
ATOM 1696 CD GLU H 186B 34.369 31.799 37.558 1.00 41.99 C
ATOM 1697 OE1 GLU H 186B 35.191 32.705 37.481 1.00 43.39 O
ATOM 1698 OE2 GLU H 186B 34.588 30.559 37.147 1.00 43.82 O1-
ATOM 1699 N GLY H 186C 29.069 34.348 36.469 1.00 39.22 N
ATOM 1700 CA GLY H 186C 28.426 35.349 35.613 1.00 41.24 C
ATOM 1701 C GLY H 186C 28.838 35.367 34.126 1.00 42.18 C
ATOM 1702 O GLY H 186C 28.555 36.343 33.406 1.00 43.36 O
ATOM 1703 N LYS H 186D 29.495 34.295 33.663 1.00 40.69 N
ATOM 1704 CA LYS H 186D 29.920 34.166 32.263 1.00 37.68 C
ATOM 1705 C LYS H 186D 29.754 32.738 31.776 1.00 33.67 C
ATOM 1706 O LYS H 186D 29.606 31.827 32.601 1.00 34.20 O
ATOM 1707 CB LYS H 186D 31.323 34.660 31.991 1.00 38.04 C
ATOM 1708 CG LYS H 186D 31.469 36.160 31.996 1.00 40.75 C
ATOM 1709 CD LYS H 186D 32.891 36.555 31.651 1.00 44.83 C
ATOM 1710 CE LYS H 186D 33.225 38.023 31.931 1.00 49.14 C
ATOM 1711 NZ LYS H 186D 34.689 38.325 31.823 1.00 50.00 N1+
ATOM 1712 N ARG H 187 29.768 32.535 30.438 1.00 27.78 N
ATOM 1713 CA ARG H 187 29.604 31.180 29.910 1.00 23.93 C
ATOM 1714 C ARG H 187 30.518 30.878 28.767 1.00 22.25 C
ATOM 1715 O ARG H 187 31.372 31.678 28.358 1.00 22.10 O
ATOM 1716 CB ARG H 187 28.171 30.877 29.470 1.00 22.95 C
ATOM 1717 CG ARG H 187 27.139 31.647 30.268 1.00 23.50 C
ATOM 1718 CD ARG H 187 25.750 31.167 29.989 1.00 24.23 C
ATOM 1719 NE ARG H 187 25.628 29.724 30.112 1.00 26.08 N
ATOM 1720 CZ ARG H 187 25.153 29.154 31.210 1.00 27.97 C
ATOM 1721 N GLY H 188 30.315 29.697 28.236 1.00 20.16 N
ATOM 1722 CA GLY H 188 31.111 29.289 27.121 1.00 19.24 C
ATOM 1723 C GLY H 188 31.603 27.890 27.248 1.00 17.99 C
ATOM 1724 O GLY H 188 31.875 27.401 28.358 1.00 19.79 O
ATOM 1725 N ASP H 189 31.734 27.246 26.091 1.00 15.23 N
ATOM 1726 CA ASP H 189 32.213 25.878 26.056 1.00 12.95 C
ATOM 1727 C ASP H 189 32.508 25.426 24.640 1.00 9.44 C
ATOM 1728 O ASP H 189 32.069 26.025 23.672 1.00 10.13 O
ATOM 1729 CB ASP H 189 31.148 24.935 26.692 1.00 13.90 C
ATOM 1730 CG ASP H 189 31.711 23.612 27.097 1.00 15.21 C
ATOM 1731 OD1 ASP H 189 32.997 23.663 27.122 1.00 15.73 O
ATOM 1732 OD2 ASP H 189 31.052 22.603 27.389 1.00 16.42 O1-
ATOM 1733 N ALA H 190 33.245 24.364 24.515 1.00 6.00 N
ATOM 1734 CA ALA H 190 33.480 23.855 23.223 1.00 6.00 C
ATOM 1735 C ALA H 190 32.261 23.002 23.034 1.00 9.64 C
ATOM 1736 O ALA H 190 31.473 22.875 23.960 1.00 12.32 O
ATOM 1737 CB ALA H 190 34.699 22.989 23.204 1.00 7.59 C
ATOM 1738 N CYX H 191 32.054 22.423 21.892 1.00 9.48 N
ATOM 1739 CA CYX H 191 30.868 21.604 21.742 1.00 9.04 C
ATOM 1740 C CYX H 191 31.102 20.664 20.603 1.00 9.43 C
ATOM 1741 O CYX H 191 32.181 20.691 20.025 1.00 8.08 O
ATOM 1742 CB CYX H 191 29.618 22.486 21.552 1.00 12.33 C
ATOM 1743 SG CYX H 191 28.038 21.613 21.711 1.00 13.99 S
ATOM 1744 N GLU H 192 30.122 19.848 20.277 1.00 12.05 N
ATOM 1745 CA GLU H 192 30.272 18.897 19.196 1.00 14.21 C
ATOM 1746 C GLU H 192 30.772 19.564 17.921 1.00 13.06 C
ATOM 1747 O GLU H 192 30.218 20.553 17.452 1.00 13.11 O
ATOM 1748 CB GLU H 192 29.009 18.067 19.007 1.00 21.60 C
ATOM 1749 CG GLU H 192 29.190 16.895 18.050 1.00 32.05 C
ATOM 1750 CD GLU H 192 27.871 16.316 17.613 1.00 42.69 C
ATOM 1751 OE1 GLU H 192 27.127 15.697 18.366 1.00 47.54 O
ATOM 1752 OE2 GLU H 192 27.594 16.552 16.338 1.00 46.28 O1-
ATOM 1753 N GLY H 193 31.880 19.023 17.388 1.00 13.50 N
ATOM 1754 CA GLY H 193 32.503 19.538 16.180 1.00 12.32 C
ATOM 1755 C GLY H 193 33.763 20.318 16.477 1.00 12.64 C
ATOM 1756 O GLY H 193 34.558 20.610 15.601 1.00 15.19 O
ATOM 1757 N ASP H 194 33.937 20.666 17.728 1.00 12.52 N
ATOM 1758 CA ASP H 194 35.098 21.400 18.162 1.00 11.91 C
ATOM 1759 C ASP H 194 36.226 20.457 18.561 1.00 11.18 C
ATOM 1760 O ASP H 194 37.358 20.881 18.620 1.00 10.45 O
ATOM 1761 CB ASP H 194 34.745 22.281 19.384 1.00 10.98 C
ATOM 1762 CG ASP H 194 33.857 23.441 19.049 1.00 10.43 C
ATOM 1763 OD1 ASP H 194 34.037 23.841 17.842 1.00 12.60 O
ATOM 1764 OD2 ASP H 194 33.080 23.965 19.816 1.00 9.01 O1-
ATOM 1765 N SER H 195 35.887 19.178 18.856 1.00 10.02 N
ATOM 1766 CA SER H 195 36.843 18.143 19.294 1.00 10.86 C
ATOM 1767 C SER H 195 38.077 18.147 18.476 1.00 11.38 C
ATOM 1768 O SER H 195 38.000 18.349 17.278 1.00 14.27 O
ATOM 1769 CB SER H 195 36.263 16.722 19.261 1.00 13.59 C
ATOM 1770 OG SER H 195 35.031 16.644 19.956 1.00 15.03 O
ATOM 1771 N GLY H 196 39.216 17.902 19.119 1.00 10.47 N
ATOM 1772 CA GLY H 196 40.493 17.869 18.424 1.00 8.80 C
ATOM 1773 C GLY H 196 41.098 19.250 18.339 1.00 8.20 C
ATOM 1774 O GLY H 196 42.295 19.431 18.138 1.00 9.92 O
ATOM 1775 N GLY H 197 40.262 20.230 18.522 1.00 7.93 N
ATOM 1776 CA GLY H 197 40.705 21.594 18.480 1.00 8.78 C
ATOM 1777 C GLY H 197 41.711 21.856 19.570 1.00 8.51 C
ATOM 1778 O GLY H 197 41.806 21.124 20.556 1.00 10.42 O
ATOM 1779 N PRO H 198 42.444 22.916 19.394 1.00 6.99 N
ATOM 1780 CA PRO H 198 43.461 23.280 20.340 1.00 6.46 C
ATOM 1781 C PRO H 198 43.001 24.246 21.431 1.00 8.83 C
ATOM 1782 O PRO H 198 42.175 25.118 21.204 1.00 10.25 O
ATOM 1783 CB PRO H 198 44.512 24.024 19.492 1.00 6.19 C
ATOM 1784 CG PRO H 198 43.799 24.527 18.244 1.00 6.58 C
ATOM 1785 CD PRO H 198 42.468 23.788 18.189 1.00 6.00 C
ATOM 1786 N PHE H 199 43.561 24.075 22.630 1.00 9.26 N
ATOM 1787 CA PHE H 199 43.312 24.944 23.775 1.00 9.91 C
ATOM 1788 C PHE H 199 44.657 25.682 23.936 1.00 10.34 C
ATOM 1789 O PHE H 199 45.630 25.106 24.400 1.00 14.34 O
ATOM 1790 CB PHE H 199 42.910 24.173 25.058 1.00 9.46 C
ATOM 1791 CG PHE H 199 42.715 25.045 26.291 1.00 11.53 C
ATOM 1792 CD1 PHE H 199 43.811 25.547 27.008 1.00 12.49 C
ATOM 1793 CD2 PHE H 199 41.434 25.374 26.778 1.00 10.63 C
ATOM 1794 CE1 PHE H 199 43.639 26.345 28.147 1.00 12.06 C
ATOM 1795 CE2 PHE H 199 41.257 26.161 27.910 1.00 9.04 C
ATOM 1796 CZ PHE H 199 42.349 26.651 28.592 1.00 9.74 C
ATOM 1797 N VAL H 200 44.748 26.928 23.500 1.00 7.88 N
ATOM 1798 CA VAL H 200 46.012 27.613 23.597 1.00 9.97 C
ATOM 1799 C VAL H 200 46.072 28.695 24.674 1.00 14.31 C
ATOM 1800 O VAL H 200 45.048 29.126 25.194 1.00 17.70 O
ATOM 1801 CB VAL H 200 46.462 28.187 22.247 1.00 8.08 C
ATOM 1802 CG1 VAL H 200 46.572 27.096 21.186 1.00 6.42 C
ATOM 1803 CG2 VAL H 200 45.538 29.308 21.806 1.00 6.00 C
ATOM 1804 N MET H 201 47.317 29.129 24.973 1.00 13.63 N
ATOM 1805 CA MET H 201 47.632 30.159 25.938 1.00 11.08 C
ATOM 1806 C MET H 201 48.753 31.060 25.365 1.00 10.00 C
ATOM 1807 O MET H 201 49.524 30.614 24.525 1.00 10.47 O
ATOM 1808 CB MET H 201 48.038 29.546 27.297 1.00 12.20 C
ATOM 1809 CG MET H 201 46.997 28.609 27.899 1.00 11.55 C
ATOM 1810 SD MET H 201 47.197 28.335 29.698 1.00 11.45 S
ATOM 1811 CE MET H 201 46.821 29.966 30.384 1.00 8.70 C
ATOM 1812 N LYS H 202 48.839 32.333 25.813 1.00 8.76 N
ATOM 1813 CA LYS H 202 49.857 33.285 25.335 1.00 7.95 C
ATOM 1814 C LYS H 202 50.952 33.648 26.358 1.00 9.33 C
ATOM 1815 O LYS H 202 50.676 34.110 27.442 1.00 10.33 O
ATOM 1816 CB LYS H 202 49.206 34.567 24.834 1.00 6.71 C
ATOM 1817 CG LYS H 202 50.235 35.616 24.450 1.00 6.00 C
ATOM 1818 CD LYS H 202 49.722 36.671 23.483 1.00 6.00 C
ATOM 1819 CE LYS H 202 50.882 37.267 22.720 1.00 6.00 C
ATOM 1820 NZ LYS H 202 50.515 38.335 21.799 1.00 6.00 N1+
ATOM 1821 N SER H 203 52.206 33.476 26.020 1.00 11.24 N
ATOM 1822 CA SER H 203 53.262 33.826 26.962 1.00 12.95 C
ATOM 1823 C SER H 203 53.645 35.314 26.922 1.00 14.43 C
ATOM 1824 O SER H 203 54.276 35.787 25.980 1.00 14.32 O
ATOM 1825 CB SER H 203 54.469 32.947 26.775 1.00 14.15 C
ATOM 1826 OG SER H 203 55.536 33.466 27.523 1.00 14.52 O
ATOM 1827 N PRO H 204 53.270 36.052 27.957 1.00 16.26 N
ATOM 1828 CA PRO H 204 53.556 37.486 28.034 1.00 19.04 C
ATOM 1829 C PRO H 204 55.031 37.843 27.797 1.00 21.34 C
ATOM 1830 O PRO H 204 55.359 38.869 27.171 1.00 23.00 O
ATOM 1831 CB PRO H 204 53.152 37.935 29.454 1.00 17.60 C
ATOM 1832 CG PRO H 204 52.795 36.678 30.237 1.00 16.70 C
ATOM 1833 CD PRO H 204 52.993 35.489 29.299 1.00 17.31 C
ATOM 1834 N PHE H 204A 55.927 37.005 28.312 1.00 20.68 N
ATOM 1835 CA PHE H 204A 57.349 37.253 28.175 1.00 17.38 C
ATOM 1836 C PHE H 204A 57.915 37.094 26.807 1.00 15.07 C
ATOM 1837 O PHE H 204A 58.743 37.882 26.444 1.00 16.04 O
ATOM 1838 CB PHE H 204A 58.189 36.531 29.227 1.00 17.13 C
ATOM 1839 CG PHE H 204A 57.712 36.939 30.583 1.00 18.11 C
ATOM 1840 CD1 PHE H 204A 57.514 38.289 30.865 1.00 18.16 C
ATOM 1841 CD2 PHE H 204A 57.426 35.977 31.553 1.00 18.92 C
ATOM 1842 CE1 PHE H 204A 57.051 38.704 32.119 1.00 19.71 C
ATOM 1843 CE2 PHE H 204A 56.957 36.369 32.816 1.00 21.18 C
ATOM 1844 CZ PHE H 204A 56.776 37.727 33.084 1.00 22.03 C
ATOM 1845 N ASN H 204B 57.484 36.069 26.060 1.00 13.19 N
ATOM 1846 CA ASN H 204B 57.995 35.834 24.730 1.00 11.23 C
ATOM 1847 C ASN H 204B 57.016 36.090 23.625 1.00 15.70 C
ATOM 1848 O ASN H 204B 57.331 35.871 22.475 1.00 19.41 O
ATOM 1849 CB ASN H 204B 58.685 34.505 24.561 1.00 10.38 C
ATOM 1850 CG ASN H 204B 57.750 33.369 24.753 1.00 13.19 C
ATOM 1851 OD1 ASN H 204B 56.552 33.563 24.732 1.00 15.99 O
ATOM 1852 ND2 ASN H 204B 58.280 32.171 24.943 1.00 12.66 N
ATOM 1853 N ASN H 205 55.823 36.545 23.980 1.00 17.17 N
ATOM 1854 CA ASN H 205 54.781 36.888 23.027 1.00 17.86 C
ATOM 1855 C ASN H 205 54.274 35.763 22.084 1.00 14.26 C
ATOM 1856 O ASN H 205 53.627 36.059 21.074 1.00 12.84 O
ATOM 1857 CB ASN H 205 55.266 38.110 22.228 1.00 23.23 C
ATOM 1858 CG ASN H 205 54.181 39.150 22.156 1.00 30.75 C
ATOM 1859 OD1 ASN H 205 53.320 39.226 23.057 1.00 32.86 O
ATOM 1860 ND2 ASN H 205 54.228 39.983 21.126 1.00 33.68 N
ATOM 1861 N ARG H 206 54.564 34.485 22.430 1.00 11.97 N
ATOM 1862 CA ARG H 206 54.196 33.285 21.659 1.00 9.91 C
ATOM 1863 C ARG H 206 53.050 32.509 22.215 1.00 8.69 C
ATOM 1864 O ARG H 206 52.844 32.458 23.415 1.00 8.91 O
ATOM 1865 CB ARG H 206 55.329 32.284 21.655 1.00 11.16 C
ATOM 1866 CG ARG H 206 56.617 32.868 21.201 1.00 14.81 C
ATOM 1867 CD ARG H 206 57.692 31.816 20.999 1.00 17.93 C
ATOM 1868 NE ARG H 206 58.817 32.458 20.359 1.00 22.74 N
ATOM 1869 CZ ARG H 206 59.033 32.469 19.070 1.00 24.95 C
ATOM 1870 N TRP H 207 52.329 31.860 21.308 1.00 9.05 N
ATOM 1871 CA TRP H 207 51.196 31.043 21.665 1.00 8.23 C
ATOM 1872 C TRP H 207 51.643 29.625 21.883 1.00 10.06 C
ATOM 1873 O TRP H 207 52.500 29.129 21.137 1.00 11.89 O
ATOM 1874 CB TRP H 207 50.146 31.063 20.567 1.00 6.37 C
ATOM 1875 CG TRP H 207 49.509 32.374 20.465 1.00 6.00 C
ATOM 1876 CD1 TRP H 207 49.942 33.391 19.707 1.00 6.00 C
ATOM 1877 CD2 TRP H 207 48.357 32.822 21.147 1.00 6.00 C
ATOM 1878 NE1 TRP H 207 49.116 34.458 19.862 1.00 6.50 N
ATOM 1879 CE2 TRP H 207 48.131 34.134 20.745 1.00 6.00 C
ATOM 1880 CE3 TRP H 207 47.503 32.243 22.069 1.00 6.00 C
ATOM 1881 CZ2 TRP H 207 47.087 34.884 21.234 1.00 6.00 C
ATOM 1882 CZ3 TRP H 207 46.450 32.975 22.545 1.00 6.00 C
ATOM 1883 N TYR H 208 51.073 28.975 22.896 1.00 8.58 N
ATOM 1884 CA TYR H 208 51.413 27.616 23.212 1.00 8.39 C
ATOM 1885 C TYR H 208 50.188 26.772 23.302 1.00 8.66 C
ATOM 1886 O TYR H 208 49.216 27.205 23.907 1.00 10.21 O
ATOM 1887 CB TYR H 208 52.109 27.550 24.562 1.00 8.61 C
ATOM 1888 CG TYR H 208 53.502 28.065 24.503 1.00 8.72 C
ATOM 1889 CD1 TYR H 208 53.736 29.426 24.672 1.00 9.51 C
ATOM 1890 CD2 TYR H 208 54.584 27.209 24.280 1.00 9.23 C
ATOM 1891 CE1 TYR H 208 55.033 29.928 24.629 1.00 11.70 C
ATOM 1892 CE2 TYR H 208 55.889 27.698 24.230 1.00 11.53 C
ATOM 1893 CZ TYR H 208 56.107 29.067 24.408 1.00 13.35 C
ATOM 1894 N GLN H 209 50.223 25.567 22.736 1.00 6.00 N
ATOM 1895 CA GLN H 209 49.063 24.725 22.835 1.00 7.71 C
ATOM 1896 C GLN H 209 49.142 23.898 24.106 1.00 7.16 C
ATOM 1897 O GLN H 209 49.909 22.968 24.154 1.00 8.20 O
ATOM 1898 CB GLN H 209 48.916 23.818 21.604 1.00 9.05 C
ATOM 1899 CG GLN H 209 47.770 22.836 21.797 1.00 8.21 C
ATOM 1900 CD GLN H 209 47.501 22.088 20.506 1.00 7.82 C
ATOM 1901 OE1 GLN H 209 48.265 22.085 19.549 1.00 10.17 O
ATOM 1902 NE2 GLN H 209 46.349 21.272 20.432 1.00 6.03 N
ATOM 1903 N MET H 210 48.360 24.237 25.126 1.00 7.34 N
ATOM 1904 CA MET H 210 48.376 23.504 26.390 1.00 10.91 C
ATOM 1905 C MET H 210 47.425 22.294 26.439 1.00 12.38 C
ATOM 1906 O MET H 210 47.649 21.344 27.191 1.00 13.79 O
ATOM 1907 CB MET H 210 48.151 24.403 27.611 1.00 13.96 C
ATOM 1908 CG MET H 210 48.952 25.702 27.569 1.00 16.05 C
ATOM 1909 SD MET H 210 50.721 25.426 27.649 1.00 18.54 S
ATOM 1910 CE MET H 210 50.742 24.394 29.131 1.00 18.12 C
ATOM 1911 N GLY H 211 46.370 22.295 25.644 1.00 11.81 N
ATOM 1912 CA GLY H 211 45.487 21.152 25.669 1.00 8.93 C
ATOM 1913 C GLY H 211 44.800 20.951 24.341 1.00 8.36 C
ATOM 1914 O GLY H 211 44.977 21.751 23.406 1.00 6.20 O
ATOM 1915 N ILE H 212 44.001 19.873 24.296 1.00 8.88 N
ATOM 1916 CA ILE H 212 43.209 19.470 23.129 1.00 9.63 C
ATOM 1917 C ILE H 212 41.742 19.298 23.513 1.00 10.94 C
ATOM 1918 O ILE H 212 41.471 18.644 24.527 1.00 14.88 O
ATOM 1919 CB ILE H 212 43.683 18.109 22.603 1.00 6.74 C
ATOM 1920 CG1 ILE H 212 45.183 18.103 22.378 1.00 6.00 C
ATOM 1921 CG2 ILE H 212 42.944 17.767 21.306 1.00 6.00 C
ATOM 1922 CD1 ILE H 212 45.673 16.795 21.764 1.00 6.00 C
ATOM 1923 N VAL H 213 40.805 19.853 22.717 1.00 9.11 N
ATOM 1924 CA VAL H 213 39.368 19.688 23.022 1.00 8.96 C
ATOM 1925 C VAL H 213 39.071 18.149 23.122 1.00 9.10 C
ATOM 1926 O VAL H 213 39.127 17.404 22.132 1.00 11.31 O
ATOM 1927 CB VAL H 213 38.487 20.468 22.024 1.00 7.09 C
ATOM 1928 CG1 VAL H 213 36.995 20.303 22.293 1.00 6.00 C
ATOM 1929 CG2 VAL H 213 38.872 21.942 22.043 1.00 6.00 C
ATOM 1930 N SER H 214 38.799 17.668 24.337 1.00 6.95 N
ATOM 1931 CA SER H 214 38.575 16.260 24.572 1.00 8.88 C
ATOM 1932 C SER H 214 37.147 15.815 24.719 1.00 15.38 C
ATOM 1933 O SER H 214 36.541 15.401 23.752 1.00 18.33 O
ATOM 1934 CB SER H 214 39.442 15.743 25.716 1.00 8.64 C
ATOM 1935 OG SER H 214 39.437 14.326 25.726 1.00 8.84 O
ATOM 1936 N TRP H 215 36.610 15.881 25.933 1.00 19.01 N
ATOM 1937 CA TRP H 215 35.231 15.470 26.188 1.00 19.83 C
ATOM 1938 C TRP H 215 34.469 16.389 27.181 1.00 20.11 C
ATOM 1939 O TRP H 215 34.990 17.377 27.708 1.00 21.83 O
ATOM 1940 CB TRP H 215 35.216 13.998 26.635 1.00 21.66 C
ATOM 1941 CG TRP H 215 35.927 13.815 27.936 1.00 23.43 C
ATOM 1942 CD1 TRP H 215 37.240 13.531 28.104 1.00 23.45 C
ATOM 1943 CD2 TRP H 215 35.371 13.942 29.249 1.00 24.94 C
ATOM 1944 NE1 TRP H 215 37.537 13.454 29.435 1.00 23.80 N
ATOM 1945 CE2 TRP H 215 36.403 13.708 30.161 1.00 24.49 C
ATOM 1946 CE3 TRP H 215 34.097 14.231 29.729 1.00 24.86 C
ATOM 1947 CZ2 TRP H 215 36.188 13.756 31.524 1.00 25.55 C
ATOM 1948 CZ3 TRP H 215 33.880 14.273 31.068 1.00 24.98 C
ATOM 1949 N GLY H 216 33.236 16.042 27.462 1.00 18.93 N
ATOM 1950 CA GLY H 216 32.411 16.809 28.371 1.00 18.68 C
ATOM 1951 C GLY H 216 31.031 16.194 28.465 1.00 21.12 C
ATOM 1952 O GLY H 216 30.742 15.187 27.827 1.00 24.53 O
ATOM 1953 N GLU H 217 30.177 16.791 29.254 1.00 21.17 N
ATOM 1954 CA GLU H 217 28.826 16.310 29.414 1.00 21.80 C
ATOM 1955 C GLU H 217 27.855 17.351 28.868 1.00 20.22 C
ATOM 1956 O GLU H 217 27.350 18.224 29.594 1.00 18.82 O
ATOM 1957 CB GLU H 217 28.550 15.982 30.882 1.00 25.38 C
ATOM 1958 CG GLU H 217 29.378 14.785 31.396 1.00 29.14 C
ATOM 1959 CD GLU H 217 29.438 14.679 32.917 1.00 31.30 C
ATOM 1960 OE1 GLU H 217 30.152 15.394 33.625 1.00 31.14 O
ATOM 1961 OE2 GLU H 217 28.648 13.732 33.392 1.00 32.62 O1-
ATOM 1962 N GLY H 219 27.609 17.269 27.562 1.00 20.44 N
ATOM 1963 CA GLY H 219 26.722 18.213 26.905 1.00 21.22 C
ATOM 1964 C GLY H 219 27.477 19.504 26.571 1.00 22.01 C
ATOM 1965 O GLY H 219 28.702 19.529 26.497 1.00 22.06 O
ATOM 1966 N CYX H 220 26.757 20.600 26.393 1.00 21.68 N
ATOM 1967 CA CYX H 220 27.438 21.829 26.097 1.00 20.26 C
ATOM 1968 C CYX H 220 26.935 22.992 26.916 1.00 21.28 C
ATOM 1969 O CYX H 220 25.732 23.231 26.953 1.00 23.70 O
ATOM 1970 CB CYX H 220 27.326 22.159 24.598 1.00 17.61 C
ATOM 1971 SG CYX H 220 28.008 20.855 23.563 1.00 15.96 S
ATOM 1972 N ASP H 221 27.858 23.724 27.540 1.00 18.32 N
ATOM 1973 CA ASP H 221 27.557 24.913 28.337 1.00 15.13 C
ATOM 1974 C ASP H 221 26.602 24.777 29.547 1.00 15.47 C
ATOM 1975 O ASP H 221 25.913 25.736 29.918 1.00 13.12 O
ATOM 1976 CB ASP H 221 27.299 26.139 27.458 1.00 12.27 C
ATOM 1977 CG ASP H 221 27.252 27.438 28.219 1.00 12.53 C
ATOM 1978 OD1 ASP H 221 28.202 27.533 29.136 1.00 11.38 O
ATOM 1979 OD2 ASP H 221 26.418 28.298 28.002 1.00 13.15 O1-
ATOM 1980 N ARG H 221A 26.592 23.577 30.187 1.00 17.99 N
ATOM 1981 CA ARG H 221A 25.757 23.293 31.366 1.00 17.83 C
ATOM 1982 C ARG H 221A 26.340 23.882 32.638 1.00 21.58 C
ATOM 1983 O ARG H 221A 27.574 23.944 32.809 1.00 24.06 O
ATOM 1984 CB ARG H 221A 25.572 21.803 31.563 1.00 17.74 C
ATOM 1985 CG ARG H 221A 24.830 21.148 30.415 1.00 20.30 C
ATOM 1986 CD ARG H 221A 24.499 19.702 30.682 1.00 22.81 C
ATOM 1987 NE ARG H 221A 24.009 19.033 29.514 1.00 26.52 N
ATOM 1988 CZ ARG H 221A 23.926 17.720 29.456 1.00 31.97 C
ATOM 1989 N ASP H 222 25.472 24.330 33.539 1.00 23.77 N
ATOM 1990 CA ASP H 222 25.980 24.888 34.779 1.00 25.52 C
ATOM 1991 C ASP H 222 26.457 23.791 35.686 1.00 22.42 C
ATOM 1992 O ASP H 222 25.840 22.724 35.751 1.00 21.64 O
ATOM 1993 CB ASP H 222 24.981 25.803 35.493 1.00 30.58 C
ATOM 1994 CG ASP H 222 24.748 27.058 34.730 1.00 36.56 C
ATOM 1995 OD1 ASP H 222 25.593 27.535 33.987 1.00 38.32 O
ATOM 1996 OD2 ASP H 222 23.553 27.569 34.932 1.00 38.38 O1-
ATOM 1997 N GLY H 223 27.562 24.066 36.360 1.00 21.79 N
ATOM 1998 CA GLY H 223 28.138 23.108 37.281 1.00 21.50 C
ATOM 1999 C GLY H 223 28.874 21.970 36.605 1.00 22.27 C
ATOM 2000 O GLY H 223 29.191 20.952 37.227 1.00 23.51 O
ATOM 2001 N LYS H 224 29.148 22.167 35.332 1.00 21.49 N
ATOM 2002 CA LYS H 224 29.873 21.216 34.501 1.00 18.89 C
ATOM 2003 C LYS H 224 30.979 21.985 33.750 1.00 17.76 C
ATOM 2004 O LYS H 224 30.835 23.217 33.503 1.00 16.85 O
ATOM 2005 CB LYS H 224 28.925 20.563 33.512 1.00 19.04 C
ATOM 2006 CG LYS H 224 27.936 19.613 34.135 1.00 19.14 C
ATOM 2007 CD LYS H 224 28.574 18.270 34.364 1.00 20.78 C
ATOM 2008 CE LYS H 224 27.714 17.331 35.155 1.00 20.72 C
ATOM 2009 NZ LYS H 224 28.281 15.984 35.152 1.00 20.76 N1+
ATOM 2010 N TYR H 225 32.069 21.272 33.391 1.00 15.94 N
ATOM 2011 CA TYR H 225 33.194 21.873 32.673 1.00 14.25 C
ATOM 2012 C TYR H 225 33.760 21.005 31.544 1.00 15.35 C
ATOM 2013 O TYR H 225 33.557 19.783 31.459 1.00 15.63 O
ATOM 2014 CB TYR H 225 34.341 22.164 33.634 1.00 15.40 C
ATOM 2015 CG TYR H 225 33.871 22.855 34.855 1.00 16.06 C
ATOM 2016 CD1 TYR H 225 33.408 22.118 35.933 1.00 15.40 C
ATOM 2017 CD2 TYR H 225 33.899 24.246 34.918 1.00 16.83 C
ATOM 2018 CE1 TYR H 225 32.968 22.780 37.074 1.00 18.18 C
ATOM 2019 CE2 TYR H 225 33.466 24.924 36.056 1.00 18.16 C
ATOM 2020 CZ TYR H 225 32.996 24.176 37.133 1.00 20.71 C
ATOM 2021 N GLY H 226 34.509 21.641 30.667 1.00 15.85 N
ATOM 2022 CA GLY H 226 35.103 20.912 29.571 1.00 15.84 C
ATOM 2023 C GLY H 226 36.420 20.252 29.982 1.00 16.97 C
ATOM 2024 O GLY H 226 37.176 20.815 30.795 1.00 17.91 O
ATOM 2025 N PHE H 227 36.696 19.068 29.415 1.00 16.73 N
ATOM 2026 CA PHE H 227 37.922 18.349 29.718 1.00 16.60 C
ATOM 2027 C PHE H 227 38.862 18.313 28.520 1.00 14.36 C
ATOM 2028 O PHE H 227 38.482 17.882 27.436 1.00 16.32 O
ATOM 2029 CB PHE H 227 37.638 16.946 30.256 1.00 18.63 C
ATOM 2030 CG PHE H 227 37.165 16.987 31.680 1.00 19.71 C
ATOM 2031 CD1 PHE H 227 35.839 17.268 31.976 1.00 18.95 C
ATOM 2032 CD2 PHE H 227 38.048 16.753 32.736 1.00 21.17 C
ATOM 2033 CE1 PHE H 227 35.385 17.307 33.293 1.00 18.89 C
ATOM 2034 CE2 PHE H 227 37.605 16.789 34.062 1.00 20.97 C
ATOM 2035 CZ PHE H 227 36.273 17.063 34.339 1.00 19.84 C
ATOM 2036 N TYR H 228 40.096 18.771 28.733 1.00 9.76 N
ATOM 2037 CA TYR H 228 41.097 18.836 27.691 1.00 7.82 C
ATOM 2038 C TYR H 228 42.240 17.876 27.917 1.00 11.08 C
ATOM 2039 O TYR H 228 42.623 17.607 29.063 1.00 14.53 O
ATOM 2040 CB TYR H 228 41.673 20.273 27.616 1.00 6.00 C
ATOM 2041 CG TYR H 228 40.586 21.232 27.358 1.00 6.95 C
ATOM 2042 CD1 TYR H 228 39.607 21.469 28.323 1.00 6.92 C
ATOM 2043 CD2 TYR H 228 40.479 21.885 26.133 1.00 8.00 C
ATOM 2044 CE1 TYR H 228 38.542 22.340 28.093 1.00 6.93 C
ATOM 2045 CE2 TYR H 228 39.424 22.769 25.887 1.00 9.67 C
ATOM 2046 CZ TYR H 228 38.453 22.989 26.864 1.00 8.77 C
ATOM 2047 N THR H 229 42.805 17.380 26.820 1.00 10.66 N
ATOM 2048 CA THR H 229 43.952 16.499 26.928 1.00 10.51 C
ATOM 2049 C THR H 229 45.157 17.316 27.381 1.00 11.94 C
ATOM 2050 O THR H 229 45.456 18.363 26.805 1.00 14.35 O
ATOM 2051 CB THR H 229 44.352 15.909 25.580 1.00 9.52 C
ATOM 2052 OG1 THR H 229 43.372 15.045 25.088 1.00 10.19 O
ATOM 2053 CG2 THR H 229 45.690 15.208 25.719 1.00 8.23 C
ATOM 2054 N HIE H 230 45.857 16.843 28.402 1.00 11.22 N
ATOM 2055 CA HIE H 230 47.036 17.518 28.918 1.00 9.41 C
ATOM 2056 C HIE H 230 48.185 17.260 27.963 1.00 11.12 C
ATOM 2057 O HIE H 230 48.823 16.207 28.043 1.00 11.47 O
ATOM 2058 CB HIE H 230 47.377 16.956 30.293 1.00 8.07 C
ATOM 2059 CG HIE H 230 48.149 17.915 31.110 1.00 10.11 C
ATOM 2060 ND1 HIE H 230 49.428 18.316 30.749 1.00 10.26 N
ATOM 2061 CD2 HIE H 230 47.825 18.535 32.269 1.00 10.30 C
ATOM 2062 CE1 HIE H 230 49.836 19.168 31.677 1.00 8.54 C
ATOM 2063 NE2 HIE H 230 48.897 19.322 32.609 1.00 9.48 N
ATOM 2064 N VAL H 231 48.423 18.204 27.046 1.00 11.78 N
ATOM 2065 CA VAL H 231 49.472 18.076 26.046 1.00 11.79 C
ATOM 2066 C VAL H 231 50.870 17.908 26.611 1.00 15.88 C
ATOM 2067 O VAL H 231 51.675 17.100 26.099 1.00 16.87 O
ATOM 2068 CB VAL H 231 49.378 19.148 24.968 1.00 8.37 C
ATOM 2069 CG1 VAL H 231 50.654 19.248 24.150 1.00 6.00 C
ATOM 2070 CG2 VAL H 231 48.246 18.774 24.040 1.00 9.34 C
ATOM 2071 N PHE H 232 51.174 18.667 27.673 1.00 18.01 N
ATOM 2072 CA PHE H 232 52.493 18.570 28.269 1.00 16.29 C
ATOM 2073 C PHE H 232 52.887 17.184 28.740 1.00 16.56 C
ATOM 2074 O PHE H 232 54.000 16.763 28.488 1.00 15.66 O
ATOM 2075 CB PHE H 232 52.812 19.619 29.287 1.00 14.11 C
ATOM 2076 CG PHE H 232 54.251 19.524 29.621 1.00 14.34 C
ATOM 2077 CD1 PHE H 232 55.212 20.009 28.733 1.00 15.50 C
ATOM 2078 CD2 PHE H 232 54.668 18.941 30.808 1.00 13.74 C
ATOM 2079 CE1 PHE H 232 56.581 19.925 29.046 1.00 14.65 C
ATOM 2080 CE2 PHE H 232 56.018 18.845 31.133 1.00 12.70 C
ATOM 2081 CZ PHE H 232 56.971 19.340 30.247 1.00 13.71 C
ATOM 2082 N ARG H 233 51.969 16.484 29.433 1.00 18.75 N
ATOM 2083 CA ARG H 233 52.212 15.141 29.929 1.00 21.43 C
ATOM 2084 C ARG H 233 52.447 14.144 28.816 1.00 24.28 C
ATOM 2085 O ARG H 233 53.243 13.236 28.944 1.00 30.92 O
ATOM 2086 CB ARG H 233 51.034 14.659 30.697 1.00 24.99 C
ATOM 2087 CG ARG H 233 50.792 15.467 31.935 1.00 32.86 C
ATOM 2088 CD ARG H 233 51.520 14.859 33.101 1.00 39.20 C
ATOM 2089 NE ARG H 233 51.104 13.463 33.317 1.00 44.20 N
ATOM 2090 CZ ARG H 233 50.976 12.930 34.536 1.00 46.59 C
ATOM 2091 N LEU H 234 51.746 14.280 27.717 1.00 18.51 N
ATOM 2092 CA LEU H 234 51.922 13.354 26.641 1.00 13.51 C
ATOM 2093 C LEU H 234 53.046 13.750 25.674 1.00 12.48 C
ATOM 2094 O LEU H 234 53.272 13.068 24.701 1.00 12.13 O
ATOM 2095 CB LEU H 234 50.590 13.191 25.928 1.00 15.01 C
ATOM 2096 CG LEU H 234 49.488 12.812 26.919 1.00 16.47 C
ATOM 2097 CD1 LEU H 234 48.112 13.201 26.395 1.00 14.88 C
ATOM 2098 CD2 LEU H 234 49.515 11.315 27.117 1.00 18.95 C
ATOM 2099 N LYS H 235 53.772 14.845 25.937 1.00 12.11 N
ATOM 2100 CA LYS H 235 54.872 15.288 25.055 1.00 15.08 C
ATOM 2101 C LYS H 235 55.925 14.211 24.671 1.00 16.91 C
ATOM 2102 O LYS H 235 56.371 14.147 23.514 1.00 16.93 O
ATOM 2103 CB LYS H 235 55.541 16.594 25.500 1.00 18.81 C
ATOM 2104 CG LYS H 235 56.198 17.333 24.327 1.00 21.58 C
ATOM 2105 CD LYS H 235 56.335 18.840 24.516 1.00 24.86 C
ATOM 2106 CE LYS H 235 57.693 19.264 25.040 1.00 28.22 C
ATOM 2107 NZ LYS H 235 58.121 18.465 26.195 1.00 30.85 N1+
ATOM 2108 N LYS H 236 56.355 13.371 25.632 1.00 18.47 N
ATOM 2109 CA LYS H 236 57.344 12.328 25.336 1.00 18.97 C
ATOM 2110 C LYS H 236 56.895 11.412 24.201 1.00 18.50 C
ATOM 2111 O LYS H 236 57.695 11.020 23.366 1.00 19.72 O
ATOM 2112 CB LYS H 236 57.733 11.497 26.538 1.00 21.85 C
ATOM 2113 CG LYS H 236 58.711 12.190 27.459 1.00 23.05 C
ATOM 2114 CD LYS H 236 59.953 12.667 26.758 1.00 23.63 C
ATOM 2115 CE LYS H 236 60.822 13.481 27.689 1.00 25.24 C
ATOM 2116 NZ LYS H 236 62.119 13.878 27.112 1.00 27.60 N1+
ATOM 2117 N TRP H 237 55.601 11.058 24.179 1.00 17.34 N
ATOM 2118 CA TRP H 237 55.058 10.196 23.127 1.00 14.70 C
ATOM 2119 C TRP H 237 55.123 10.893 21.778 1.00 13.65 C
ATOM 2120 O TRP H 237 55.485 10.304 20.769 1.00 11.41 O
ATOM 2121 CB TRP H 237 53.620 9.776 23.432 1.00 14.35 C
ATOM 2122 CG TRP H 237 52.983 9.082 22.295 1.00 15.11 C
ATOM 2123 CD1 TRP H 237 53.230 7.823 21.918 1.00 13.65 C
ATOM 2124 CD2 TRP H 237 51.998 9.593 21.392 1.00 17.86 C
ATOM 2125 NE1 TRP H 237 52.477 7.488 20.836 1.00 15.17 N
ATOM 2126 CE2 TRP H 237 51.708 8.556 20.477 1.00 17.36 C
ATOM 2127 CE3 TRP H 237 51.345 10.827 21.252 1.00 17.40 C
ATOM 2128 CZ2 TRP H 237 50.782 8.715 19.443 1.00 17.27 C
ATOM 2129 CZ3 TRP H 237 50.437 10.982 20.231 1.00 17.68 C
ATOM 2130 N ILE H 238 54.748 12.175 21.787 1.00 13.62 N
ATOM 2131 CA ILE H 238 54.776 12.974 20.599 1.00 12.55 C
ATOM 2132 C ILE H 238 56.184 12.957 20.080 1.00 17.12 C
ATOM 2133 O ILE H 238 56.462 12.706 18.907 1.00 17.58 O
ATOM 2134 CB ILE H 238 54.386 14.405 20.892 1.00 8.37 C
ATOM 2135 CG1 ILE H 238 52.930 14.489 21.329 1.00 6.27 C
ATOM 2136 CG2 ILE H 238 54.664 15.285 19.674 1.00 6.82 C
ATOM 2137 CD1 ILE H 238 52.515 15.927 21.680 1.00 6.00 C
ATOM 2138 N GLN H 239 57.070 13.230 21.007 1.00 20.55 N
ATOM 2139 CA GLN H 239 58.479 13.265 20.757 1.00 23.27 C
ATOM 2140 C GLN H 239 58.941 11.962 20.144 1.00 25.67 C
ATOM 2141 O GLN H 239 59.642 11.932 19.154 1.00 28.26 O
ATOM 2142 CB GLN H 239 59.195 13.533 22.073 1.00 24.28 C
ATOM 2143 CG GLN H 239 60.706 13.455 21.970 1.00 27.07 C
ATOM 2144 CD GLN H 239 61.329 13.996 23.223 1.00 30.08 C
ATOM 2145 OE1 GLN H 239 62.339 13.446 23.730 1.00 30.35 O
ATOM 2146 NE2 GLN H 239 60.715 15.095 23.731 1.00 30.12 N
ATOM 2147 N LYS H 240 58.535 10.875 20.736 1.00 25.66 N
ATOM 2148 CA LYS H 240 58.911 9.583 20.245 1.00 26.70 C
ATOM 2149 C LYS H 240 58.429 9.320 18.824 1.00 26.15 C
ATOM 2150 O LYS H 240 59.185 8.832 18.002 1.00 26.82 O
ATOM 2151 CB LYS H 240 58.519 8.517 21.229 1.00 30.21 C
ATOM 2152 CG LYS H 240 58.466 7.144 20.653 1.00 34.11 C
ATOM 2153 CD LYS H 240 58.317 6.108 21.739 1.00 39.35 C
ATOM 2154 CE LYS H 240 57.765 4.792 21.237 1.00 45.10 C
ATOM 2155 NZ LYS H 240 56.399 4.943 20.726 1.00 48.52 N1+
ATOM 2156 N VAL H 241 57.164 9.674 18.535 1.00 25.75 N
ATOM 2157 CA VAL H 241 56.544 9.500 17.202 1.00 22.56 C
ATOM 2158 C VAL H 241 57.195 10.367 16.110 1.00 23.19 C
ATOM 2159 O VAL H 241 57.587 9.892 15.057 1.00 23.09 O
ATOM 2160 CB VAL H 241 55.016 9.672 17.249 1.00 20.13 C
ATOM 2161 CG1 VAL H 241 54.376 9.643 15.851 1.00 20.00 C
ATOM 2162 CG2 VAL H 241 54.419 8.570 18.104 1.00 17.46 C
ATOM 2163 N ILE H 242 57.320 11.632 16.389 1.00 24.66 N
ATOM 2164 CA ILE H 242 57.903 12.560 15.479 1.00 26.93 C
ATOM 2165 C ILE H 242 59.338 12.241 15.039 1.00 30.63 C
ATOM 2166 O ILE H 242 59.633 12.310 13.863 1.00 32.78 O
ATOM 2167 CB ILE H 242 57.654 13.992 15.924 1.00 26.44 C
ATOM 2168 CG1 ILE H 242 56.202 14.356 15.661 1.00 24.47 C
ATOM 2169 CG2 ILE H 242 58.597 14.978 15.258 1.00 26.67 C
ATOM 2170 CD1 ILE H 242 55.923 15.832 15.880 1.00 25.55 C
ATOM 2171 N ASP H 243 60.244 11.897 15.962 1.00 35.22 N
ATOM 2172 CA ASP H 243 61.619 11.579 15.570 1.00 41.46 C
ATOM 2173 C ASP H 243 62.415 12.593 14.720 1.00 43.69 C
ATOM 2174 O ASP H 243 63.134 12.177 13.795 1.00 43.56 O
ATOM 2175 CB ASP H 243 61.616 10.293 14.774 1.00 45.08 C
ATOM 2176 CG ASP H 243 62.317 9.185 15.438 1.00 48.77 C
ATOM 2177 OD1 ASP H 243 63.531 9.208 15.601 1.00 50.00 O
ATOM 2178 OD2 ASP H 243 61.527 8.206 15.815 1.00 50.00 O1-
ATOM 2179 N GLN H 244 62.327 13.890 15.015 1.00 45.28 N
ATOM 2180 CA GLN H 244 63.059 14.885 14.233 1.00 45.30 C
ATOM 2181 C GLN H 244 64.539 14.613 14.083 1.00 45.53 C
ATOM 2182 O GLN H 244 65.222 15.367 13.421 1.00 46.69 O
ATOM 2183 CB GLN H 244 63.006 16.274 14.859 1.00 44.30 C
ATOM 2184 CG GLN H 244 61.638 16.905 14.646 1.00 43.61 C
ATOM 2185 CD GLN H 244 61.638 18.335 15.150 1.00 45.00 C
ATOM 2186 OE1 GLN H 244 61.624 19.315 14.416 1.00 42.85 O
ATOM 2187 NE2 GLN H 244 61.559 18.554 16.545 1.00 48.61 N
ATOM 2188 N PHE H 245 65.091 13.613 14.704 1.00 44.52 N
ATOM 2189 CA PHE H 245 66.503 13.513 14.493 1.00 45.80 C
ATOM 2190 C PHE H 245 66.995 12.162 14.040 1.00 49.58 C
ATOM 2191 O PHE H 245 68.233 12.040 13.928 1.00 50.00 O
ATOM 2192 CB PHE H 245 67.307 14.040 15.677 1.00 43.44 C
ATOM 2193 CG PHE H 245 67.049 15.483 16.018 1.00 40.69 C
ATOM 2194 CD1 PHE H 245 67.478 16.503 15.183 1.00 40.15 C
ATOM 2195 CD2 PHE H 245 66.393 15.819 17.208 1.00 38.76 C
ATOM 2196 CE1 PHE H 245 67.257 17.829 15.510 1.00 39.71 C
ATOM 2197 CE2 PHE H 245 66.154 17.154 17.562 1.00 37.70 C
ATOM 2198 CZ PHE H 245 66.599 18.167 16.690 1.00 38.65 C
ATOM 2199 N GLY H 246 66.145 11.268 13.790 1.00 50.00 N
TER 2200 GLY H 246
ATOM 2201 CA ASP I 1 26.074 23.043 3.070 1.00 30.31 C
ATOM 2202 C ASP I 1 27.436 23.524 2.560 1.00 26.58 C
ATOM 2203 O ASP I 1 27.649 24.710 2.352 1.00 26.85 O
ATOM 2204 CB ASP I 1 25.609 23.781 4.341 1.00 37.05 C
ATOM 2205 CG ASP I 1 26.184 23.204 5.626 1.00 42.67 C
ATOM 2206 OD1 ASP I 1 26.901 22.199 5.648 1.00 44.40 O
ATOM 2207 OD2 ASP I 1 25.807 23.878 6.716 1.00 43.73 O1-
ATOM 2208 N PHE I 2 28.348 22.581 2.332 1.00 23.78 N
ATOM 2209 CA PHE I 2 29.701 22.860 1.847 1.00 21.31 C
ATOM 2210 C PHE I 2 29.853 23.147 0.368 1.00 21.69 C
ATOM 2211 O PHE I 2 29.259 22.481 -0.466 1.00 25.11 O
ATOM 2212 CB PHE I 2 30.607 21.657 2.125 1.00 19.96 C
ATOM 2213 CG PHE I 2 30.912 21.567 3.574 1.00 20.26 C
ATOM 2214 CD1 PHE I 2 31.898 22.368 4.142 1.00 20.49 C
ATOM 2215 CD2 PHE I 2 30.183 20.706 4.391 1.00 19.75 C
ATOM 2216 CE1 PHE I 2 32.182 22.301 5.503 1.00 20.95 C
ATOM 2217 CE2 PHE I 2 30.454 20.634 5.757 1.00 20.71 C
ATOM 2218 CZ PHE I 2 31.455 21.426 6.304 1.00 21.15 C
ATOM 2219 N GLU I 3 30.701 24.133 0.047 1.00 19.82 N
ATOM 2220 CA GLU I 3 30.994 24.465 -1.329 1.00 17.70 C
ATOM 2221 C GLU I 3 31.866 23.326 -1.798 1.00 23.93 C
ATOM 2222 O GLU I 3 32.517 22.691 -0.942 1.00 25.92 O
ATOM 2223 CB GLU I 3 31.759 25.773 -1.457 1.00 12.72 C
ATOM 2224 CG GLU I 3 30.928 27.021 -1.162 1.00 11.58 C
ATOM 2225 CD GLU I 3 31.665 28.256 -1.620 1.00 15.03 C
ATOM 2226 OE1 GLU I 3 32.856 28.243 -1.951 1.00 16.65 O
ATOM 2227 OE2 GLU I 3 30.908 29.342 -1.645 1.00 16.59 O1-
ATOM 2228 N GLU I 4 31.894 23.027 -3.110 1.00 28.05 N
ATOM 2229 CA GLU I 4 32.698 21.882 -3.560 1.00 29.65 C
ATOM 2230 C GLU I 4 34.159 22.110 -3.830 1.00 25.71 C
ATOM 2231 O GLU I 4 34.510 23.053 -4.501 1.00 25.19 O
ATOM 2232 CB GLU I 4 32.028 20.985 -4.623 1.00 36.79 C
ATOM 2233 CG GLU I 4 31.687 21.679 -5.964 1.00 42.63 C
ATOM 2234 CD GLU I 4 31.163 20.707 -7.019 1.00 48.42 C
ATOM 2235 OE1 GLU I 4 30.565 19.661 -6.742 1.00 50.00 O
ATOM 2236 OE2 GLU I 4 31.427 21.084 -8.270 1.00 50.00 O1-
ATOM 2237 N ILE I 5 35.004 21.188 -3.285 1.00 24.02 N
ATOM 2238 CA ILE I 5 36.463 21.215 -3.462 1.00 20.10 C
ATOM 2239 C ILE I 5 36.813 20.436 -4.707 1.00 19.60 C
ATOM 2240 O ILE I 5 36.020 19.674 -5.197 1.00 19.97 O
ATOM 2241 CB ILE I 5 37.289 20.670 -2.271 1.00 16.01 C
ATOM 2242 CG1 ILE I 5 36.938 19.249 -1.954 1.00 16.24 C
ATOM 2243 CG2 ILE I 5 37.177 21.508 -1.009 1.00 15.53 C
ATOM 2244 CD1 ILE I 5 37.843 18.705 -0.866 1.00 16.75 C
ATOM 2245 N PRO I 6 37.984 20.630 -5.229 1.00 21.34 N
ATOM 2246 CA PRO I 6 38.414 19.950 -6.429 1.00 23.16 C
ATOM 2247 C PRO I 6 38.270 18.443 -6.296 1.00 26.38 C
ATOM 2248 O PRO I 6 38.656 17.897 -5.288 1.00 28.26 O
ATOM 2249 CB PRO I 6 39.872 20.340 -6.623 1.00 24.88 C
ATOM 2250 CG PRO I 6 40.192 21.440 -5.614 1.00 24.49 C
ATOM 2251 CD PRO I 6 38.994 21.575 -4.700 1.00 22.90 C
ATOM 2252 N GLU I 7 37.699 17.766 -7.315 1.00 30.26 N
ATOM 2253 CA GLU I 7 37.504 16.312 -7.242 1.00 32.46 C
ATOM 2254 C GLU I 7 38.725 15.463 -7.186 1.00 31.36 C
ATOM 2255 O GLU I 7 38.639 14.272 -6.887 1.00 30.99 O
ATOM 2256 CB GLU I 7 36.439 15.680 -8.137 1.00 36.34 C
ATOM 2257 CG GLU I 7 36.673 15.892 -9.632 1.00 42.99 C
ATOM 2258 CD GLU I 7 35.801 16.989 -10.174 1.00 48.19 C
ATOM 2259 OE1 GLU I 7 34.711 17.275 -9.667 1.00 50.00 O
ATOM 2260 OE2 GLU I 7 36.299 17.575 -11.249 1.00 50.00 O1-
ATOM 2261 N GLU I 8 39.863 16.046 -7.464 1.00 30.66 N
ATOM 2262 CA GLU I 8 41.072 15.262 -7.408 1.00 30.87 C
ATOM 2263 C GLU I 8 41.317 14.753 -5.993 1.00 29.05 C
ATOM 2264 O GLU I 8 41.944 13.733 -5.780 1.00 29.09 O
ATOM 2265 CB GLU I 8 42.264 16.024 -7.969 1.00 33.36 C
ATOM 2266 N TYR I 9 40.809 15.490 -5.025 1.00 28.13 N
ATOM 2267 CA TYR I 9 40.960 15.141 -3.627 1.00 27.62 C
ATOM 2268 C TYR I 9 39.887 14.194 -3.133 1.00 29.78 C
ATOM 2269 O TYR I 9 40.034 13.551 -2.094 1.00 30.74 O
ATOM 2270 CB TYR I 9 40.845 16.377 -2.749 1.00 23.66 C
ATOM 2271 CG TYR I 9 41.851 17.416 -3.011 1.00 21.20 C
ATOM 2272 CD1 TYR I 9 43.183 17.242 -2.616 1.00 20.78 C
ATOM 2273 CD2 TYR I 9 41.469 18.612 -3.626 1.00 19.78 C
ATOM 2274 CE1 TYR I 9 44.124 18.243 -2.851 1.00 19.95 C
ATOM 2275 CE2 TYR I 9 42.404 19.615 -3.863 1.00 19.56 C
ATOM 2276 CZ TYR I 9 43.725 19.420 -3.476 1.00 19.67 C
ATOM 2277 N LEU I 10 38.793 14.144 -3.858 1.00 31.59 N
ATOM 2278 CA LEU I 10 37.674 13.310 -3.479 1.00 31.99 C
ATOM 2279 C LEU I 10 37.619 11.903 -4.089 1.00 33.48 C
ATOM 2280 O LEU I 10 36.589 11.227 -3.809 1.00 33.06 O
ATOM 2281 CB LEU I 10 36.357 14.077 -3.615 1.00 30.46 C
ATOM 2282 CG LEU I 10 36.307 15.207 -2.616 1.00 28.99 C
ATOM 2283 CD1 LEU I 10 35.074 16.053 -2.864 1.00 27.70 C
ATOM 2284 CD2 LEU I 10 36.222 14.589 -1.233 1.00 29.32 C
ATOM 2285 N GLN I 11 38.581 11.502 -4.835 1.00 33.77 N
TER 2286 GLN I 11
HETATM 2287 C1 MIT 1 29.562 11.960 25.333 1.00 23.50 C
HETATM 2288 C2 MIT 1 29.379 11.358 24.121 1.00 21.68 C
HETATM 2289 C3 MIT 1 30.109 10.204 23.800 1.00 22.45 C
HETATM 2290 C4 MIT 1 31.058 9.676 24.680 1.00 23.62 C
HETATM 2291 C5 MIT 1 31.311 10.357 25.865 1.00 23.51 C
HETATM 2292 C6 MIT 1 32.263 9.827 26.844 1.00 23.37 C
HETATM 2293 C7 MIT 1 32.864 10.956 27.600 1.00 25.06 C
HETATM 2294 C8 MIT 1 31.796 11.757 28.240 1.00 24.50 C
HETATM 2295 N9 MIT 1 30.826 12.247 27.300 1.00 24.31 N
HETATM 2296 C10 MIT 1 30.596 11.546 26.218 1.00 23.28 C
HETATM 2297 S11 MIT 1 28.752 13.513 25.638 1.00 26.28 S
HETATM 2298 N12 MIT 1 29.732 14.820 25.183 1.00 26.79 N
HETATM 2299 C13 MIT 1 30.493 14.834 23.936 1.00 25.80 C
HETATM 2300 C14 MIT 1 31.834 14.152 24.121 1.00 28.18 C
HETATM 2301 O15 MIT 1 32.520 14.296 25.111 1.00 28.61 O
HETATM 2302 C16 MIT 1 30.709 16.241 23.446 1.00 23.63 C
HETATM 2303 C17 MIT 1 30.913 17.170 24.596 1.00 23.22 C
HETATM 2304 C18 MIT 1 31.361 18.514 24.009 1.00 25.07 C
HETATM 2305 N19 MIT 1 31.580 19.501 25.067 1.00 27.15 N
HETATM 2306 C20 MIT 1 32.838 19.878 25.359 1.00 27.79 C
HETATM 2307 N21 MIT 1 33.869 19.302 24.687 1.00 26.36 N
HETATM 2308 N22 MIT 1 33.048 20.701 26.406 1.00 29.63 N
HETATM 2309 C23 MIT 1 33.794 10.424 28.673 1.00 27.98 C
HETATM 2310 O24 MIT 1 28.554 13.649 27.057 1.00 28.68 O
HETATM 2311 O25 MIT 1 27.669 13.399 24.680 1.00 29.28 O
HETATM 2312 N26 MIT 1 32.337 13.531 23.009 1.00 27.73 N
HETATM 2313 C27 MIT 1 31.632 13.594 21.735 1.00 27.66 C
HETATM 2314 C28 MIT 1 31.563 12.208 21.091 1.00 26.23 C
HETATM 2315 C29 MIT 1 32.931 11.624 21.031 1.00 25.62 C
HETATM 2316 C30 MIT 1 33.571 11.597 22.409 1.00 25.93 C
HETATM 2317 C31 MIT 1 33.628 12.930 23.079 1.00 27.07 C
HETATM 2318 C32 MIT 1 32.242 14.652 20.817 1.00 26.52 C
HETATM 2319 O33 MIT 1 31.878 14.577 19.649 1.00 24.67 O
HETATM 2320 O34 MIT 1 32.518 15.723 21.305 1.00 27.96 O
HETATM 2321 C35 MIT 1 32.800 10.219 20.483 1.00 25.24 C
HETATM 2322 H2 MIT 1 28.674 11.771 23.414 1.00 0.00 H
HETATM 2323 H3 MIT 1 29.943 9.705 22.857 1.00 0.00 H
HETATM 2324 H4 MIT 1 31.574 8.760 24.432 1.00 0.00 H
HETATM 2325 1H6 MIT 1 31.744 9.161 27.533 1.00 0.00 H
HETATM 2326 2H6 MIT 1 33.047 9.274 26.327 1.00 0.00 H
HETATM 2327 H7 MIT 1 33.430 11.590 26.918 1.00 0.00 H
HETATM 2328 1H8 MIT 1 31.269 11.143 28.971 1.00 0.00 H
HETATM 2329 2H8 MIT 1 32.238 12.619 28.741 1.00 0.00 H
HETATM 2330 HN9 MIT 1 30.326 13.110 27.458 1.00 0.00 H
HETATM 2331 HN1 MIT 1 29.806 15.629 25.783 1.00 0.00 H
HETATM 2332 H13 MIT 1 29.919 14.337 23.154 1.00 0.00 H
HETATM 2333 1H16 MIT 1 31.591 16.272 22.806 1.00 0.00 H
HETATM 2334 2H16 MIT 1 29.837 16.567 22.879 1.00 0.00 H
HETATM 2335 1H17 MIT 1 29.978 17.281 25.144 1.00 0.00 H
HETATM 2336 2H17 MIT 1 31.677 16.765 25.260 1.00 0.00 H
HETATM 2337 1H18 MIT 1 32.292 18.379 23.459 1.00 0.00 H
HETATM 2338 2H18 MIT 1 30.593 18.890 23.334 1.00 0.00 H
HETATM 2339 HN2 MIT 1 34.820 19.573 24.893 1.00 0.00 H
HETATM 2340 1HN2 MIT 1 33.986 20.993 26.638 1.00 0.00 H
HETATM 2341 2HN2 MIT 1 32.267 21.025 26.958 1.00 0.00 H
HETATM 2342 1H23 MIT 1 34.230 11.258 29.223 1.00 0.00 H
HETATM 2343 2H23 MIT 1 33.232 9.791 29.360 1.00 0.00 H
HETATM 2344 3H23 MIT 1 34.589 9.840 28.209 1.00 0.00 H
HETATM 2345 H27 MIT 1 30.660 14.066 21.880 1.00 0.00 H
HETATM 2346 1H28 MIT 1 30.917 11.562 21.686 1.00 0.00 H
HETATM 2347 2H28 MIT 1 31.159 12.295 20.082 1.00 0.00 H
HETATM 2348 H29 MIT 1 33.550 12.217 20.358 1.00 0.00 H
HETATM 2349 1H30 MIT 1 33.003 10.934 23.061 1.00 0.00 H
HETATM 2350 2H30 MIT 1 34.596 11.235 22.327 1.00 0.00 H
HETATM 2351 1H31 MIT 1 34.354 13.567 22.574 1.00 0.00 H
HETATM 2352 2H31 MIT 1 33.916 12.808 24.123 1.00 0.00 H
HETATM 2353 HO3 MIT 1 32.301 15.270 19.136 1.00 0.00 H
HETATM 2354 1H35 MIT 1 33.786 9.758 20.425 1.00 0.00 H
HETATM 2355 2H35 MIT 1 32.162 9.630 21.142 1.00 0.00 H
HETATM 2356 3H35 MIT 1 32.357 10.256 19.488 1.00 0.00 H
HETATM 2357 HN3 MIT 1 30.803 19.898 25.575 1.00 0.00 H
CONECT 2287 2288 2296 2297
CONECT 2287 2288
CONECT 2288 2287 2289 2322
CONECT 2288 2287
CONECT 2289 2288 2290 2323
CONECT 2289 2290
CONECT 2290 2289 2291 2324
CONECT 2290 2289
CONECT 2291 2290 2292 2296
CONECT 2291 2296
CONECT 2292 2291 2293 2325 2326
CONECT 2293 2292 2294 2309 2327
CONECT 2294 2293 2295 2328 2329
CONECT 2295 2294 2296 2330
CONECT 2296 2287 2291 2295
CONECT 2296 2291
CONECT 2297 2287 2298 2310 2311
CONECT 2297 2310 2311
CONECT 2298 2297 2299 2331
CONECT 2299 2298 2300 2302 2332
CONECT 2300 2299 2301 2312
CONECT 2300 2301
CONECT 2301 2300
CONECT 2301 2300
CONECT 2302 2299 2303 2333 2334
CONECT 2303 2302 2304 2335 2336
CONECT 2304 2303 2305 2337 2338
CONECT 2305 2304 2306 2357
CONECT 2306 2305 2307 2308
CONECT 2306 2307
CONECT 2307 2306 2339
CONECT 2307 2306
CONECT 2308 2306 2340 2341
CONECT 2309 2293 2342 2343 2344
CONECT 2310 2297
CONECT 2310 2297
CONECT 2311 2297
CONECT 2311 2297
CONECT 2312 2300 2313 2317
CONECT 2313 2312 2314 2318 2345
CONECT 2314 2313 2315 2346 2347
CONECT 2315 2314 2316 2321 2348
CONECT 2316 2315 2317 2349 2350
CONECT 2317 2312 2316 2351 2352
CONECT 2318 2313 2319 2320
CONECT 2318 2320
CONECT 2319 2318 2353
CONECT 2320 2318
CONECT 2320 2318
CONECT 2321 2315 2354 2355 2356
CONECT 2322 2288
CONECT 2323 2289
CONECT 2324 2290
CONECT 2325 2292
CONECT 2326 2292
CONECT 2327 2293
CONECT 2328 2294
CONECT 2329 2294
CONECT 2330 2295
CONECT 2331 2298
CONECT 2332 2299
CONECT 2333 2302
CONECT 2334 2302
CONECT 2335 2303
CONECT 2336 2303
CONECT 2337 2304
CONECT 2338 2304
CONECT 2339 2307
CONECT 2340 2308
CONECT 2341 2308
CONECT 2342 2309
CONECT 2343 2309
CONECT 2344 2309
CONECT 2345 2313
CONECT 2346 2314
CONECT 2347 2314
CONECT 2348 2315
CONECT 2349 2316
CONECT 2350 2316
CONECT 2351 2317
CONECT 2352 2317
CONECT 2353 2319
CONECT 2354 2321
CONECT 2355 2321
CONECT 2356 2321
CONECT 2357 2305
ENDMDL
END


[Wed 9:12:31am 1dwcMIT]% $AMBERHOME/exe/tleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.ff99SB -f leap.in
-I: Adding /share/opt/i386_sl4/amber9/dat/leap/prep to search path.
-I: Adding /share/opt/i386_sl4/amber9/dat/leap/lib to search path.
-I: Adding /share/opt/i386_sl4/amber9/dat/leap/parm to search path.
-I: Adding /share/opt/i386_sl4/amber9/dat/leap/cmd to search path.
-s: Ignoring startup file: leaprc
-f: Source /share/opt/i386_sl4/amber9/dat/leap/cmd/leaprc.ff99SB.
-f: Source leap.in.

Welcome to LEaP!
Sourcing: /share/opt/i386_sl4/amber9/dat/leap/cmd/leaprc.ff99SB
Log file: ./leap.log
Loading parameters: /share/opt/i386_sl4/amber9/dat/leap/parm/parm99.dat
Reading title:
PARM99 for DNA,RNA,AA, organic molecules, TIP3P wat. Polariz.& LP incl.02/04/99
Loading parameters: /share/opt/i386_sl4/amber9/dat/leap/parm/frcmod.ff99SB
Reading force field modification type file (frcmod)
Reading title:
Modification/update of parm99.dat (Hornak & Simmerling)
Loading library: /share/opt/i386_sl4/amber9/dat/leap/lib/all_nucleic94.lib
Loading library: /share/opt/i386_sl4/amber9/dat/leap/lib/all_amino94.lib
Loading library: /share/opt/i386_sl4/amber9/dat/leap/lib/all_aminoct94.lib
Loading library: /share/opt/i386_sl4/amber9/dat/leap/lib/all_aminont94.lib
Loading library: /share/opt/i386_sl4/amber9/dat/leap/lib/ions94.lib
Loading library: /share/opt/i386_sl4/amber9/dat/leap/lib/solvents.lib
Sourcing: ./leap.in
----- Source: /share/opt/i386_sl4/amber9/dat/leap/cmd/leaprc.gaff
----- Source of /share/opt/i386_sl4/amber9/dat/leap/cmd/leaprc.gaff done
Log file: ./leap.log
Loading parameters: /share/opt/i386_sl4/amber9/dat/leap/parm/gaff.dat
Reading title:
AMBER General Force Field for organic mol., add. info. at the end (June, 2003)
Loading library: ../preproc/antechamber/MIT/MIT.lib
Loading library: ../preproc/antechamber/MID/MID.lib
Loading parameters: ../preproc/antechamber/MIT/MIT.frcmod
Reading force field modification type file (frcmod)
Reading title:
remark goes here
Loading parameters: ../preproc/antechamber/MID/MID.frcmod
Reading force field modification type file (frcmod)
Reading title:
remark goes here
Loading PDB file: ./1dwc.pdb
  Added missing heavy atom: .R<ARG 4>.A<NH1 17>
  Added missing heavy atom: .R<ARG 4>.A<NH2 20>
  Added missing heavy atom: .R<ARG 18>.A<NH1 17>
  Added missing heavy atom: .R<ARG 18>.A<NH2 20>
  Added missing heavy atom: .R<TYR 24>.A<OH 14>
  Added missing heavy atom: .R<CASP 26>.A<OXT 13>
  Added missing heavy atom: .R<TRP 40>.A<CH2 16>
  Added missing heavy atom: .R<ARG 46>.A<NH1 17>
  Added missing heavy atom: .R<ARG 46>.A<NH2 20>
  Added missing heavy atom: .R<ARG 62>.A<NH1 17>
  Added missing heavy atom: .R<ARG 62>.A<NH2 20>
  Added missing heavy atom: .R<TRP 63>.A<CH2 16>
  Added missing heavy atom: .R<TYR 73>.A<OH 14>
  Added missing heavy atom: .R<TRP 76>.A<CH2 16>
  Added missing heavy atom: .R<ARG 88>.A<NH1 17>
  Added missing heavy atom: .R<ARG 88>.A<NH2 20>
  Added missing heavy atom: .R<ARG 94>.A<NH1 17>
  Added missing heavy atom: .R<ARG 94>.A<NH2 20>
  Added missing heavy atom: .R<ARG 96>.A<NH1 17>
  Added missing heavy atom: .R<ARG 96>.A<NH2 20>
  Added missing heavy atom: .R<TYR 97>.A<OH 14>
  Added missing heavy atom: .R<ARG 99>.A<CG 8>
  Added missing heavy atom: .R<ARG 99>.A<CD 11>
  Added missing heavy atom: .R<ARG 99>.A<NE 14>
  Added missing heavy atom: .R<ARG 99>.A<CZ 16>
  Added missing heavy atom: .R<ARG 99>.A<NH1 17>
  Added missing heavy atom: .R<ARG 99>.A<NH2 20>
  Added missing heavy atom: .R<ASN 100>.A<CG 8>
  Added missing heavy atom: .R<ASN 100>.A<OD1 9>
  Added missing heavy atom: .R<ASN 100>.A<ND2 10>
  Added missing heavy atom: .R<LYS 103>.A<CG 8>
  Added missing heavy atom: .R<LYS 103>.A<CD 11>
  Added missing heavy atom: .R<LYS 103>.A<CE 14>
  Added missing heavy atom: .R<LYS 103>.A<NZ 17>
  Added missing heavy atom: .R<TYR 111>.A<OH 14>
  Added missing heavy atom: .R<ARG 115>.A<CG 8>
  Added missing heavy atom: .R<ARG 115>.A<CD 11>
  Added missing heavy atom: .R<ARG 115>.A<NE 14>
  Added missing heavy atom: .R<ARG 115>.A<CZ 16>
  Added missing heavy atom: .R<ARG 115>.A<NH1 17>
  Added missing heavy atom: .R<ARG 115>.A<NH2 20>
  Added missing heavy atom: .R<TYR 116>.A<OH 14>
  Added missing heavy atom: .R<TRP 118>.A<CH2 16>
  Added missing heavy atom: .R<ARG 119>.A<CG 8>
  Added missing heavy atom: .R<ARG 119>.A<CD 11>
  Added missing heavy atom: .R<ARG 119>.A<NE 14>
  Added missing heavy atom: .R<ARG 119>.A<CZ 16>
  Added missing heavy atom: .R<ARG 119>.A<NH1 17>
  Added missing heavy atom: .R<ARG 119>.A<NH2 20>
  Added missing heavy atom: .R<ARG 124>.A<NH1 17>
  Added missing heavy atom: .R<ARG 124>.A<NH2 20>
  Added missing heavy atom: .R<TYR 140>.A<OH 14>
  Added missing heavy atom: .R<ARG 149>.A<CG 8>
  Added missing heavy atom: .R<ARG 149>.A<CD 11>
  Added missing heavy atom: .R<ARG 149>.A<NE 14>
  Added missing heavy atom: .R<ARG 149>.A<CZ 16>
  Added missing heavy atom: .R<ARG 149>.A<NH1 17>
  Added missing heavy atom: .R<ARG 149>.A<NH2 20>
  Added missing heavy atom: .R<GLU 150>.A<CG 8>
  Added missing heavy atom: .R<GLU 150>.A<CD 11>
  Added missing heavy atom: .R<GLU 150>.A<OE1 12>
  Added missing heavy atom: .R<GLU 150>.A<OE2 13>
  Added missing heavy atom: .R<TYR 160>.A<OH 14>
  Added missing heavy atom: .R<ARG 163>.A<NH1 17>
  Added missing heavy atom: .R<ARG 163>.A<NH2 20>
  Added missing heavy atom: .R<TRP 167>.A<CH2 16>
  Added missing heavy atom: .R<TRP 174>.A<CH2 16>
  Added missing heavy atom: .R<LYS 180>.A<CG 8>
  Added missing heavy atom: .R<LYS 180>.A<CD 11>
  Added missing heavy atom: .R<LYS 180>.A<CE 14>
  Added missing heavy atom: .R<LYS 180>.A<NZ 17>
  Added missing heavy atom: .R<ARG 196>.A<NH1 17>
  Added missing heavy atom: .R<ARG 196>.A<NH2 20>
  Added missing heavy atom: .R<LYS 200>.A<CG 8>
  Added missing heavy atom: .R<LYS 200>.A<CD 11>
  Added missing heavy atom: .R<LYS 200>.A<CE 14>
  Added missing heavy atom: .R<LYS 200>.A<NZ 17>
  Added missing heavy atom: .R<ARG 204>.A<CG 8>
  Added missing heavy atom: .R<ARG 204>.A<CD 11>
  Added missing heavy atom: .R<ARG 204>.A<NE 14>
  Added missing heavy atom: .R<ARG 204>.A<CZ 16>
  Added missing heavy atom: .R<ARG 204>.A<NH1 17>
  Added missing heavy atom: .R<ARG 204>.A<NH2 20>
  Added missing heavy atom: .R<ARG 206>.A<NH1 17>
  Added missing heavy atom: .R<ARG 206>.A<NH2 20>
  Added missing heavy atom: .R<TYR 216>.A<OH 14>
  Added missing heavy atom: .R<ARG 223>.A<NH1 17>
  Added missing heavy atom: .R<ARG 223>.A<NH2 20>
  Added missing heavy atom: .R<ARG 244>.A<NH1 17>
  Added missing heavy atom: .R<ARG 244>.A<NH2 20>
  Added missing heavy atom: .R<TRP 245>.A<CH2 16>
  Added missing heavy atom: .R<TYR 246>.A<OH 14>
  Added missing heavy atom: .R<TRP 253>.A<CH2 16>
  Added missing heavy atom: .R<ARG 259>.A<NH1 17>
  Added missing heavy atom: .R<ARG 259>.A<NH2 20>
  Added missing heavy atom: .R<TYR 263>.A<OH 14>
  Added missing heavy atom: .R<TYR 266>.A<OH 14>
  Added missing heavy atom: .R<ARG 271>.A<NH1 17>
  Added missing heavy atom: .R<ARG 271>.A<NH2 20>
  Added missing heavy atom: .R<TRP 275>.A<CH2 16>
  Added missing heavy atom: .R<CGLY 284>.A<CA 3>
  Added missing heavy atom: .R<CGLY 284>.A<C 6>
  Added missing heavy atom: .R<CGLY 284>.A<O 7>
  Added missing heavy atom: .R<CGLY 284>.A<OXT 8>
  Added missing heavy atom: .R<NASP 285>.A<N 1>
  Added missing heavy atom: .R<GLU 292>.A<CG 8>
  Added missing heavy atom: .R<GLU 292>.A<CD 11>
  Added missing heavy atom: .R<GLU 292>.A<OE1 12>
  Added missing heavy atom: .R<GLU 292>.A<OE2 13>
  Added missing heavy atom: .R<TYR 293>.A<OH 14>
  Added missing heavy atom: .R<CGLN 295>.A<CA 3>
  Added missing heavy atom: .R<CGLN 295>.A<CB 5>
  Added missing heavy atom: .R<CGLN 295>.A<C 16>
  Added missing heavy atom: .R<CGLN 295>.A<CG 8>
  Added missing heavy atom: .R<CGLN 295>.A<O 17>
  Added missing heavy atom: .R<CGLN 295>.A<OXT 18>
  Added missing heavy atom: .R<CGLN 295>.A<CD 11>
  Added missing heavy atom: .R<CGLN 295>.A<OE1 12>
  Added missing heavy atom: .R<CGLN 295>.A<NE2 13>
  total atoms in file: 2354
  Leap added 2486 missing atoms according to residue templates:
       119 Heavy
       2367 H / lone pairs
 (using default radius 1.500000 for HO3)
Scaling up box by a factor of 1.158741 to meet diagonal cut criterion
  Solute vdw bounding box: 60.826 58.797 58.874
  Total bounding box for atom centers: 95.588 95.588 95.588
      (box expansion for 'iso' is 4.3%)
  Solvent unit box: 18.774 18.774 18.774
 (using default radius 1.500000 for HO3)
  Volume: 450547.481 A^3 (oct)
  Total mass 243962.838 amu, Density 0.899 g/cc
  Added 11619 residues.
addIons: 1st Ion & target are the same charge:
     can't neutralize.
1 Cl- ion required to neutralize.
Adding 1 counter ions to "mol" using 1A grid
Grid extends from solute vdw + 2.47 to 8.47
Resolution: 1.00 Angstrom.
grid build: 0 sec
Solvent present: replacing closest with ion
         when steric overlaps occur
Calculating grid charges
charges: 37 sec
(Replacing solvent molecule)
Placed Cl- in mol at (4.59, -17.61, 18.98).

Done adding ions.
Checking Unit.
Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
Building improper torsion parameters.
 total 982 improper torsions applied
Building H-Bond parameters.
Not Marking per-residue atom chain types.
Marking per-residue atom chain types.
  (Residues lacking connect0/connect1 -
   these don't have chain types marked:

        res total affected

        CASP 1
        CGLN 1
        CGLY 1
        NASP 1
        NCYX 1
        NILE 1
        WAT 11618
  )
 (no restraints)
        Quit

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Received on Fri Apr 18 2008 - 21:19:46 PDT