Hi, all:
For a given protein chain with 208 residues, I used the mm_pbsa.pl to run a
energy decomposition by residue.
Conditions with two different salt concentrations were tried, which is
SALTCON respectively set as 0 and 10.
But the calculation results are slightly different and the difference was
only reflected in the EGB term. ( the electrostatic term was no changed at
all). Could anyone explain this to me? In the last, the input
parameter/structure files that I fed to MMPBSA were listed. Meanwhile, I
extracted the energy decomposition from residue Arg.
The data in the in the 4th and 6th columns are the ELE and EGB term based
on SALTCON=0,
The data in the 9th and 11th columns are the ELE and EGB term based on
SALTCON=10.
As the data in the 13th and 15th, they are respectively as the ELE and EGB
difference between SALTCON 0 and 10.
Thanks.
backy
r 0 ELE -134.86 EGB -4.93 10 ELE -134.86
EGB -4.89 ELE(0-10) 0 EGB(0-10) -0.04
r 0 ELE -130.55 EGB -18.65 10 ELE -130.55 EGB
-18.62 ELE(0-10) 0 EGB(0-10) -0.0299999
r 0 ELE -145.62 EGB -4.72 10 ELE -145.62
EGB -4.67 ELE(0-10) 0 EGB(0-10) -0.0499999
r 0 ELE -169.11 EGB 15.74 10 ELE -169.11 EGB
15.78 ELE(0-10) 0 EGB(0-10) -0.0399999
r 0 ELE -118.14 EGB -20.63 10 ELE -118.14 EGB
-20.64 ELE(0-10) 0 EGB(0-10) 0.01000000
r 0 ELE -135.55 EGB -13.00 10 ELE -135.55 EGB
-12.94 ELE(0-10) 0 EGB(0-10) -0.0600000
r 0 ELE -127.89 EGB -15.08 10 ELE -127.89 EGB
-15.05 ELE(0-10) 0 EGB(0-10) -0.0299999
r 0 ELE -130.77 EGB -6.91 10 ELE -130.77
EGB -6.89 ELE(0-10) 0 EGB(0-10) -0.0200000
.GENERAL
PREFIX 11gs-B
PATH ./
COMPLEX 0
RECEPTOR 1
LIGAND 0
COMPT XXX
RECPT ./11gs-B.prmtop
LIGPT XXX
GC 0
AS 0
DC 1
MM 1
GB 1
PB 0
MS 0
NM 0
.DECOMP
DCTYPE 2
COMREC 0
COMLIG 0
COMPRI 0
RECRES 1-208
RECPRI 1-208
RECMAP 0
LIGRES 0
LIGPRI 0
LIGMAP 0
.MM
DIELC 1.0
.GB
IGB 2
GBSA 2
SALTCON 0.00 (10.00)
EXTDIEL 80.0
INTDIEL 1.0
SURFTEN 0.0072
SURFOFF 0.00
.PROGRAMS
REMARK
ATOM 1 N PRO 1 35.719 23.295 0.045 1.00 0.00
N
ATOM 2 H2 PRO 1 35.303 22.381 -0.119 1.00 0.00
H
ATOM 3 H3 PRO 1 36.727 23.179 0.065 1.00 0.00
H
ATOM 4 CD PRO 1 35.317 24.265 -1.006 1.00 0.00
C
ATOM 5 HD2 PRO 1 34.747 23.778 -1.803 1.00 0.00
H
ATOM 6 HD3 PRO 1 36.214 24.717 -1.436 1.00 0.00
H
ATOM 7 CG PRO 1 34.480 25.367 -0.351 1.00 0.00
C
ATOM 8 HG2 PRO 1 33.421 25.090 -0.355 1.00 0.00
H
ATOM 9 HG3 PRO 1 34.619 26.331 -0.844 1.00 0.00
H
ATOM 10 CB PRO 1 35.035 25.366 1.074 1.00 0.00
C
ATOM 11 HB2 PRO 1 34.371 25.865 1.784 1.00 0.00
H
ATOM 12 HB3 PRO 1 36.007 25.864 1.097 1.00 0.00
H
ATOM 13 CA PRO 1 35.224 23.857 1.327 1.00 0.00
C
ATOM 14 HA PRO 1 35.954 23.705 2.124 1.00 0.00
H
ATOM 15 C PRO 1 33.942 23.114 1.739 1.00 0.00
C
ATOM 16 O PRO 1 33.868 21.896 1.565 1.00 0.00
O
ATOM 17 N TYR 2 32.927 23.828 2.228 1.00 0.00
N
ATOM 18 H TYR 2 33.030 24.828 2.329 1.00 0.00
H
ATOM 19 CA TYR 2 31.619 23.272 2.539 1.00 0.00
C
ATOM 20 HA TYR 2 31.704 22.197 2.650 1.00 0.00
H
ATOM 21 CB TYR 2 31.125 23.833 3.864 1.00 0.00
C
ATOM 22 HB2 TYR 2 30.942 24.894 3.733 1.00 0.00
H
ATOM 23 HB3 TYR 2 30.177 23.360 4.119 1.00 0.00
H
ATOM 24 CG TYR 2 32.092 23.649 5.007 1.00 0.00
C
ATOM 25 CD1 TYR 2 32.459 22.359 5.425 1.00 0.00
C
ATOM 26 HD1 TYR 2 32.060 21.490 4.922 1.00 0.00
H
ATOM 27 CE1 TYR 2 33.339 22.202 6.512 1.00 0.00
C
ATOM 28 HE1 TYR 2 33.601 21.216 6.857 1.00 0.00
H
ATOM 29 CZ TYR 2 33.875 23.335 7.157 1.00 0.00
C
ATOM 30 OH TYR 2 34.733 23.185 8.202 1.00 0.00
O
ATOM 31 HH TYR 2 34.913 22.259 8.393 1.00 0.00
H
ATOM 32 CE2 TYR 2 33.522 24.630 6.717 1.00 0.00
C
ATOM 33 HE2 TYR 2 33.940 25.495 7.208 1.00 0.00
H
ATOM 34 CD2 TYR 2 32.629 24.783 5.646 1.00 0.00
C
ATOM 35 HD2 TYR 2 32.351 25.773 5.316 1.00 0.00
H
ATOM 36 C TYR 2 30.597 23.584 1.453 1.00 0.00
C
ATOM 37 O TYR 2 30.634 24.651 0.830 1.00 0.00
O
ATOM 38 N THR 3 29.630 22.685 1.304 1.00 0.00
N
ATOM 39 H THR 3 29.695 21.828 1.845 1.00 0.00
H
ATOM 40 CA THR 3 28.489 22.844 0.410 1.00 0.00
C
ATOM 41 HA THR 3 28.310 23.900 0.236 1.00 0.00
H
ATOM 42 CB THR 3 28.761 22.171 -0.937 1.00 0.00
C
ATOM 43 HB THR 3 28.937 21.114 -0.774 1.00 0.00
H
ATOM 44 CG2 THR 3 27.586 22.318 -1.903 1.00 0.00
C
ATOM 45 HG21 THR 3 27.359 23.369 -2.055 1.00 0.00
H
ATOM 46 HG22 THR 3 27.837 21.853 -2.857 1.00 0.00
H
ATOM 47 HG23 THR 3 26.704 21.819 -1.502 1.00 0.00
H
ATOM 48 OG1 THR 3 29.905 22.748 -1.527 1.00 0.00
O
ATOM 49 HG1 THR 3 30.124 22.242 -2.320 1.00 0.00
H
ATOM 50 C THR 3 27.302 22.216 1.102 1.00 0.00
C
ATOM 51 O THR 3 27.366 21.042 1.458 1.00 0.00
O
ATOM 52 N VAL 4 26.235 22.982 1.290 1.00 0.00
N
ATOM 53 H VAL 4 26.255 23.930 0.910 1.00 0.00
H
ATOM 54 CA VAL 4 24.970 22.459 1.825 1.00 0.00
C
ATOM 55 HA VAL 4 25.137 21.430 2.144 1.00 0.00
H
ATOM 56 CB VAL 4 24.429 23.185 3.093 1.00 0.00
C
ATOM 57 HB VAL 4 24.328 22.431 3.876 1.00 0.00
H
ATOM 58 CG1 VAL 4 25.389 24.255 3.622 1.00 0.00
C
ATOM 59 HG11 VAL 4 25.470 25.024 2.866 1.00 0.00
H
ATOM 60 HG12 VAL 4 25.006 24.695 4.543 1.00 0.00
H
ATOM 61 HG13 VAL 4 26.370 23.826 3.814 1.00 0.00
H
ATOM 62 CG2 VAL 4 23.042 23.818 2.926 1.00 0.00
C
ATOM 63 HG21 VAL 4 22.302 23.055 2.681 1.00 0.00
H
ATOM 64 HG22 VAL 4 22.737 24.317 3.847 1.00 0.00
H
ATOM 65 HG23 VAL 4 23.087 24.548 2.128 1.00 0.00
H
ATOM 66 C VAL 4 23.991 22.408 0.663 1.00 0.00
C
ATOM 67 O VAL 4 23.828 23.379 -0.077 1.00 0.00
O
ATOM 68 N VAL 5 23.390 21.240 0.492 1.00 0.00
N
ATOM 69 H VAL 5 23.613 20.486 1.145 1.00 0.00
H
ATOM 70 CA VAL 5 22.414 20.960 -0.550 1.00 0.00
C
ATOM 71 HA VAL 5 22.363 21.797 -1.236 1.00 0.00
H
ATOM 72 CB VAL 5 22.782 19.694 -1.334 1.00 0.00
C
ATOM 73 HB VAL 5 22.711 18.882 -0.633 1.00 0.00
H
ATOM 74 CG1 VAL 5 21.779 19.434 -2.468 1.00 0.00
C
ATOM 75 HG11 VAL 5 21.781 20.267 -3.171 1.00 0.00
H
ATOM 76 HG12 VAL 5 22.043 18.517 -2.995 1.00 0.00
H
ATOM 77 HG13 VAL 5 20.775 19.312 -2.060 1.00 0.00
H
ATOM 78 CG2 VAL 5 24.231 19.661 -1.853 1.00 0.00
C
ATOM 79 HG21 VAL 5 24.938 19.779 -1.031 1.00 0.00
H
ATOM 80 HG22 VAL 5 24.426 18.699 -2.326 1.00 0.00
H
ATOM 81 HG23 VAL 5 24.412 20.431 -2.590 1.00 0.00
H
ATOM 82 C VAL 5 21.073 20.771 0.143 1.00 0.00
C
ATOM 83 O VAL 5 20.917 19.876 0.975 1.00 0.00
O
ATOM 84 N TYR 6 20.113 21.626 -0.184 1.00 0.00
N
ATOM 85 H TYR 6 20.303 22.322 -0.900 1.00 0.00
H
ATOM 86 CA TYR 6 18.831 21.678 0.510 1.00 0.00
C
ATOM 87 HA TYR 6 18.491 20.659 0.681 1.00 0.00
H
ATOM 88 CB TYR 6 19.022 22.362 1.876 1.00 0.00
C
ATOM 89 HB2 TYR 6 19.947 22.008 2.332 1.00 0.00
H
ATOM 90 HB3 TYR 6 19.136 23.435 1.714 1.00 0.00
H
ATOM 91 CG TYR 6 17.916 22.113 2.883 1.00 0.00
C
ATOM 92 CD1 TYR 6 17.584 20.799 3.258 1.00 0.00
C
ATOM 93 HD1 TYR 6 18.092 19.972 2.801 1.00 0.00
H
ATOM 94 CE1 TYR 6 16.610 20.554 4.240 1.00 0.00
C
ATOM 95 HE1 TYR 6 16.350 19.540 4.508 1.00 0.00
H
ATOM 96 CZ TYR 6 15.982 21.639 4.883 1.00 0.00
C
ATOM 97 OH TYR 6 15.057 21.410 5.854 1.00 0.00
O
ATOM 98 HH TYR 6 14.877 20.470 5.966 1.00 0.00
H
ATOM 99 CE2 TYR 6 16.316 22.957 4.513 1.00 0.00
C
ATOM 100 HE2 TYR 6 15.855 23.787 5.019 1.00 0.00
H
ATOM 101 CD2 TYR 6 17.261 23.192 3.499 1.00 0.00
C
ATOM 102 HD2 TYR 6 17.506 24.207 3.221 1.00 0.00
H
ATOM 103 C TYR 6 17.759 22.384 -0.321 1.00 0.00
C
ATOM 104 O TYR 6 18.030 22.972 -1.371 1.00 0.00
O
ATOM 105 N PHE 7 16.522 22.346 0.167 1.00 0.00
N
ATOM 106 H PHE 7 16.361 21.854 1.035 1.00 0.00
H
ATOM 107 CA PHE 7 15.419 23.129 -0.379 1.00 0.00
C
ATOM 108 HA PHE 7 15.440 23.042 -1.460 1.00 0.00
H
ATOM 109 CB PHE 7 14.101 22.539 0.138 1.00 0.00
C
ATOM 110 HB2 PHE 7 14.007 22.758 1.202 1.00 0.00
H
ATOM 111 HB3 PHE 7 13.254 23.008 -0.359 1.00 0.00
H
ATOM 112 CG PHE 7 13.985 21.047 -0.070 1.00 0.00
C
ATOM 113 CD1 PHE 7 13.733 20.525 -1.352 1.00 0.00
C
ATOM 114 HD1 PHE 7 13.611 21.187 -2.198 1.00 0.00
H
ATOM 115 CE1 PHE 7 13.635 19.135 -1.533 1.00 0.00
C
ATOM 116 HE1 PHE 7 13.437 18.734 -2.513 1.00 0.00
H
ATOM 117 CZ PHE 7 13.789 18.269 -0.437 1.00 0.00
C
ATOM 118 HZ PHE 7 13.713 17.199 -0.580 1.00 0.00
H
ATOM 119 CE2 PHE 7 14.052 18.790 0.841 1.00 0.00
C
ATOM 120 HE2 PHE 7 14.176 18.125 1.684 1.00 0.00
H
ATOM 121 CD2 PHE 7 14.155 20.179 1.024 1.00 0.00
C
ATOM 122 HD2 PHE 7 14.362 20.576 2.008 1.00 0.00
H
ATOM 123 C PHE 7 15.570 24.613 -0.003 1.00 0.00
C
ATOM 124 O PHE 7 16.313 24.929 0.934 1.00 0.00
O
ATOM 125 N PRO 8 14.851 25.540 -0.664 1.00 0.00
N
ATOM 126 CD PRO 8 14.027 25.343 -1.854 1.00 0.00
C
ATOM 127 HD2 PRO 8 13.270 24.572 -1.727 1.00 0.00
H
ATOM 128 HD3 PRO 8 14.671 25.107 -2.701 1.00 0.00
H
ATOM 129 CG PRO 8 13.346 26.685 -2.108 1.00 0.00
C
ATOM 130 HG2 PRO 8 12.432 26.755 -1.515 1.00 0.00
H
ATOM 131 HG3 PRO 8 13.131 26.840 -3.165 1.00 0.00
H
ATOM 132 CB PRO 8 14.390 27.669 -1.585 1.00 0.00
C
ATOM 133 HB2 PRO 8 13.974 28.657 -1.387 1.00 0.00
H
ATOM 134 HB3 PRO 8 15.208 27.749 -2.302 1.00 0.00
H
ATOM 135 CA PRO 8 14.886 26.960 -0.323 1.00 0.00
C
ATOM 136 HA PRO 8 15.910 27.276 -0.116 1.00 0.00
H
ATOM 137 C PRO 8 14.023 27.247 0.917 1.00 0.00
C
ATOM 138 O PRO 8 13.032 27.971 0.856 1.00 0.00
O
ATOM 139 N VAL 9 14.395 26.651 2.050 1.00 0.00
N
ATOM 140 H VAL 9 15.246 26.083 2.031 1.00 0.00
H
ATOM 141 CA VAL 9 13.745 26.823 3.355 1.00 0.00
C
ATOM 142 HA VAL 9 13.272 27.805 3.378 1.00 0.00
H
ATOM 143 CB VAL 9 12.661 25.749 3.648 1.00 0.00
C
ATOM 144 HB VAL 9 12.074 26.088 4.502 1.00 0.00
H
ATOM 145 CG1 VAL 9 11.693 25.535 2.474 1.00 0.00
C
ATOM 146 HG11 VAL 9 12.225 25.186 1.589 1.00 0.00
H
ATOM 147 HG12 VAL 9 10.967 24.773 2.743 1.00 0.00
H
ATOM 148 HG13 VAL 9 11.167 26.459 2.243 1.00 0.00
H
ATOM 149 CG2 VAL 9 13.249 24.378 4.019 1.00 0.00
C
ATOM 150 HG21 VAL 9 13.776 24.447 4.969 1.00 0.00
H
ATOM 151 HG22 VAL 9 12.451 23.647 4.147 1.00 0.00
H
ATOM 152 HG23 VAL 9 13.928 24.035 3.238 1.00 0.00
H
ATOM 153 C VAL 9 14.834 26.793 4.420 1.00 0.00
C
ATOM 154 O VAL 9 15.921 26.258 4.182 1.00 0.00
O
ATOM 155 N ARG 10 14.558 27.341 5.600 1.00 0.00
N
ATOM 156 H ARG 10 13.658 27.795 5.733 1.00 0.00
H
ATOM 157 CA ARG 10 15.505 27.275 6.713 1.00 0.00
C
ATOM 158 HA ARG 10 16.500 27.532 6.348 1.00 0.00
H
ATOM 159 CB ARG 10 15.128 28.295 7.792 1.00 0.00
C
ATOM 160 HB2 ARG 10 14.164 28.041 8.231 1.00 0.00
H
ATOM 161 HB3 ARG 10 15.877 28.291 8.571 1.00 0.00
H
ATOM 162 CG ARG 10 15.086 29.713 7.232 1.00 0.00
C
ATOM 163 HG2 ARG 10 16.035 29.953 6.749 1.00 0.00
H
ATOM 164 HG3 ARG 10 14.275 29.793 6.512 1.00 0.00
H
ATOM 165 CD ARG 10 14.827 30.695 8.364 1.00 0.00
C
ATOM 166 HD2 ARG 10 13.964 30.345 8.932 1.00 0.00
H
ATOM 167 HD3 ARG 10 15.695 30.729 9.022 1.00 0.00
H
ATOM 168 NE ARG 10 14.558 32.027 7.818 1.00 0.00
N
ATOM 169 HE ARG 10 14.936 32.239 6.903 1.00 0.00
H
ATOM 170 CZ ARG 10 13.811 32.963 8.379 1.00 0.00
C
ATOM 171 NH1 ARG 10 13.293 32.825 9.582 1.00 0.00
N
ATOM 172 HH11 ARG 10 13.503 32.011 10.135 1.00 0.00
H
ATOM 173 HH12 ARG 10 12.726 33.559 9.979 1.00 0.00
H
ATOM 174 NH2 ARG 10 13.575 34.068 7.717 1.00 0.00
N
ATOM 175 HH21 ARG 10 13.939 34.160 6.780 1.00 0.00
H
ATOM 176 HH22 ARG 10 12.996 34.795 8.107 1.00 0.00
H
ATOM 177 C ARG 10 15.553 25.848 7.253 1.00 0.00
C
ATOM 178 O ARG 10 16.597 25.198 7.166 1.00 0.00
O
ATOM 179 N GLY 11 14.415 25.362 7.760 1.00 0.00
N
ATOM 180 H GLY 11 13.597 25.964 7.739 1.00 0.00
H
ATOM 181 CA GLY 11 14.210 23.999 8.255 1.00 0.00
C
ATOM 182 HA2 GLY 11 13.336 23.975 8.907 1.00 0.00
H
ATOM 183 HA3 GLY 11 13.999 23.348 7.406 1.00 0.00
H
ATOM 184 C GLY 11 15.414 23.460 9.024 1.00 0.00
C
ATOM 185 O GLY 11 15.974 24.131 9.891 1.00 0.00
O
ATOM 186 N ARG 12 15.846 22.257 8.650 1.00 0.00
N
ATOM 187 H ARG 12 15.348 21.791 7.902 1.00 0.00
H
ATOM 188 CA ARG 12 16.965 21.544 9.277 1.00 0.00
C
ATOM 189 HA ARG 12 16.883 21.683 10.357 1.00 0.00
H
ATOM 190 CB ARG 12 16.818 20.045 8.985 1.00 0.00
C
ATOM 191 HB2 ARG 12 16.704 19.876 7.913 1.00 0.00
H
ATOM 192 HB3 ARG 12 17.714 19.531 9.320 1.00 0.00
H
ATOM 193 CG ARG 12 15.627 19.461 9.753 1.00 0.00
C
ATOM 194 HG2 ARG 12 15.734 19.717 10.808 1.00 0.00
H
ATOM 195 HG3 ARG 12 14.692 19.884 9.384 1.00 0.00
H
ATOM 196 CD ARG 12 15.583 17.937 9.608 1.00 0.00
C
ATOM 197 HD2 ARG 12 15.197 17.688 8.618 1.00 0.00
H
ATOM 198 HD3 ARG 12 16.590 17.523 9.683 1.00 0.00
H
ATOM 199 NE ARG 12 14.721 17.334 10.641 1.00 0.00
N
ATOM 200 HE ARG 12 13.772 17.123 10.363 1.00 0.00
H
ATOM 201 CZ ARG 12 15.078 17.013 11.884 1.00 0.00
C
ATOM 202 NH1 ARG 12 16.283 17.212 12.363 1.00 0.00
N
ATOM 203 HH11 ARG 12 17.031 17.502 11.766 1.00 0.00
H
ATOM 204 HH12 ARG 12 16.459 16.970 13.343 1.00 0.00
H
ATOM 205 NH2 ARG 12 14.227 16.459 12.708 1.00 0.00
N
ATOM 206 HH21 ARG 12 13.290 16.230 12.419 1.00 0.00
H
ATOM 207 HH22 ARG 12 14.599 16.069 13.577 1.00 0.00
H
ATOM 208 C ARG 12 18.367 22.055 8.900 1.00 0.00
C
ATOM 209 O ARG 12 19.352 21.511 9.400 1.00 0.00
O
ATOM 210 N CYS 13 18.489 23.091 8.064 1.00 0.00
N
ATOM 211 H CYS 13 17.652 23.473 7.634 1.00 0.00
H
ATOM 212 CA CYS 13 19.779 23.730 7.759 1.00 0.00
C
ATOM 213 HA CYS 13 20.600 23.067 8.033 1.00 0.00
H
ATOM 214 CB CYS 13 19.866 23.994 6.257 1.00 0.00
C
ATOM 215 HB2 CYS 13 18.984 24.540 5.915 1.00 0.00
H
ATOM 216 HB3 CYS 13 20.770 24.570 6.036 1.00 0.00
H
ATOM 217 SG CYS 13 19.978 22.415 5.413 1.00 0.00
S
ATOM 218 HG CYS 13 19.968 22.895 4.163 1.00 0.00
H
ATOM 219 C CYS 13 20.013 25.033 8.521 1.00 0.00
C
ATOM 220 O CYS 13 21.142 25.499 8.582 1.00 0.00
O
ATOM 221 N ALA 14 18.975 25.638 9.095 1.00 0.00
N
ATOM 222 H ALA 14 18.057 25.226 8.986 1.00 0.00
H
ATOM 223 CA ALA 14 19.081 26.926 9.777 1.00 0.00
C
ATOM 224 HA ALA 14 19.289 27.707 9.041 1.00 0.00
H
ATOM 225 CB ALA 14 17.735 27.203 10.437 1.00 0.00
C
ATOM 226 HB1 ALA 14 17.579 26.526 11.276 1.00 0.00
H
ATOM 227 HB2 ALA 14 17.699 28.235 10.788 1.00 0.00
H
ATOM 228 HB3 ALA 14 16.935 27.014 9.734 1.00 0.00
H
ATOM 229 C ALA 14 20.218 26.943 10.807 1.00 0.00
C
ATOM 230 O ALA 14 21.110 27.780 10.723 1.00 0.00
O
ATOM 231 N ALA 15 20.238 25.966 11.721 1.00 0.00
N
ATOM 232 H ALA 15 19.482 25.294 11.713 1.00 0.00
H
ATOM 233 CA ALA 15 21.251 25.871 12.771 1.00 0.00
C
ATOM 234 HA ALA 15 21.228 26.777 13.369 1.00 0.00
H
ATOM 235 CB ALA 15 20.902 24.694 13.681 1.00 0.00
C
ATOM 236 HB1 ALA 15 20.943 23.751 13.131 1.00 0.00
H
ATOM 237 HB2 ALA 15 21.624 24.655 14.500 1.00 0.00
H
ATOM 238 HB3 ALA 15 19.898 24.836 14.082 1.00 0.00
H
ATOM 239 C ALA 15 22.675 25.761 12.223 1.00 0.00
C
ATOM 240 O ALA 15 23.526 26.583 12.557 1.00 0.00
O
ATOM 241 N LEU 16 22.939 24.776 11.355 1.00 0.00
N
ATOM 242 H LEU 16 22.197 24.136 11.107 1.00 0.00
H
ATOM 243 CA LEU 16 24.282 24.572 10.795 1.00 0.00
C
ATOM 244 HA LEU 16 24.978 24.506 11.635 1.00 0.00
H
ATOM 245 CB LEU 16 24.352 23.224 10.045 1.00 0.00
C
ATOM 246 HB2 LEU 16 25.399 22.998 9.834 1.00 0.00
H
ATOM 247 HB3 LEU 16 24.002 22.453 10.734 1.00 0.00
H
ATOM 248 CG LEU 16 23.547 23.124 8.731 1.00 0.00
C
ATOM 249 HG LEU 16 22.693 23.775 8.808 1.00 0.00
H
ATOM 250 CD1 LEU 16 24.370 23.539 7.501 1.00 0.00
C
ATOM 251 HD11 LEU 16 25.241 22.891 7.397 1.00 0.00
H
ATOM 252 HD12 LEU 16 23.756 23.457 6.604 1.00 0.00
H
ATOM 253 HD13 LEU 16 24.706 24.569 7.589 1.00 0.00
H
ATOM 254 CD2 LEU 16 23.000 21.706 8.531 1.00 0.00
C
ATOM 255 HD21 LEU 16 22.337 21.446 9.357 1.00 0.00
H
ATOM 256 HD22 LEU 16 22.434 21.652 7.600 1.00 0.00
H
ATOM 257 HD23 LEU 16 23.816 20.991 8.494 1.00 0.00
H
ATOM 258 C LEU 16 24.750 25.774 9.963 1.00 0.00
C
ATOM 259 O LEU 16 25.944 26.064 9.931 1.00 0.00
O
ATOM 260 N ARG 17 23.823 26.521 9.351 1.00 0.00
N
ATOM 261 H ARG 17 22.852 26.225 9.392 1.00 0.00
H
ATOM 262 CA ARG 17 24.144 27.765 8.648 1.00 0.00
C
ATOM 263 HA ARG 17 24.981 27.591 7.971 1.00 0.00
H
ATOM 264 CB ARG 17 22.946 28.234 7.832 1.00 0.00
C
ATOM 265 HB2 ARG 17 22.056 28.251 8.460 1.00 0.00
H
ATOM 266 HB3 ARG 17 23.142 29.248 7.489 1.00 0.00
H
ATOM 267 CG ARG 17 22.707 27.364 6.600 1.00 0.00
C
ATOM 268 HG2 ARG 17 23.481 27.568 5.860 1.00 0.00
H
ATOM 269 HG3 ARG 17 22.735 26.304 6.850 1.00 0.00
H
ATOM 270 CD ARG 17 21.334 27.728 6.046 1.00 0.00
C
ATOM 271 HD2 ARG 17 20.580 27.397 6.763 1.00 0.00
H
ATOM 272 HD3 ARG 17 21.265 28.811 5.937 1.00 0.00
H
ATOM 273 NE ARG 17 21.113 27.115 4.735 1.00 0.00
N
ATOM 274 HE ARG 17 21.913 27.105 4.101 1.00 0.00
H
ATOM 275 CZ ARG 17 19.949 26.777 4.209 1.00 0.00
C
ATOM 276 NH1 ARG 17 18.816 26.908 4.876 1.00 0.00
N
ATOM 277 HH11 ARG 17 18.816 27.321 5.796 1.00 0.00
H
ATOM 278 HH12 ARG 17 17.932 26.642 4.459 1.00 0.00
H
ATOM 279 NH2 ARG 17 19.925 26.307 2.985 1.00 0.00
N
ATOM 280 HH21 ARG 17 20.792 26.296 2.439 1.00 0.00
H
ATOM 281 HH22 ARG 17 19.057 26.071 2.536 1.00 0.00
H
ATOM 282 C ARG 17 24.542 28.868 9.624 1.00 0.00
C
ATOM 283 O ARG 17 25.547 29.543 9.401 1.00 0.00
O
ATOM 284 N MET 18 23.794 29.024 10.726 1.00 0.00
N
ATOM 285 H MET 18 22.973 28.439 10.843 1.00 0.00
H
ATOM 286 CA MET 18 24.154 29.961 11.795 1.00 0.00
C
ATOM 287 HA MET 18 24.160 30.978 11.397 1.00 0.00
H
ATOM 288 CB MET 18 23.168 29.892 12.962 1.00 0.00
C
ATOM 289 HB2 MET 18 23.112 28.876 13.344 1.00 0.00
H
ATOM 290 HB3 MET 18 23.558 30.510 13.768 1.00 0.00
H
ATOM 291 CG MET 18 21.769 30.393 12.599 1.00 0.00
C
ATOM 292 HG2 MET 18 21.854 31.312 12.020 1.00 0.00
H
ATOM 293 HG3 MET 18 21.266 29.661 11.980 1.00 0.00
H
ATOM 294 SD MET 18 20.727 30.726 14.034 1.00 0.00
S
ATOM 295 CE MET 18 20.578 29.038 14.607 1.00 0.00
C
ATOM 296 HE1 MET 18 21.551 28.632 14.875 1.00 0.00
H
ATOM 297 HE2 MET 18 19.934 29.010 15.482 1.00 0.00
H
ATOM 298 HE3 MET 18 20.140 28.454 13.803 1.00 0.00
H
ATOM 299 C MET 18 25.557 29.665 12.319 1.00 0.00
C
ATOM 300 O MET 18 26.356 30.588 12.444 1.00 0.00
O
ATOM 301 N LEU 19 25.862 28.383 12.566 1.00 0.00
N
ATOM 302 H LEU 19 25.126 27.694 12.456 1.00 0.00
H
ATOM 303 CA LEU 19 27.176 27.920 13.013 1.00 0.00
C
ATOM 304 HA LEU 19 27.393 28.370 13.980 1.00 0.00
H
ATOM 305 CB LEU 19 27.136 26.390 13.178 1.00 0.00
C
ATOM 306 HB2 LEU 19 26.281 26.163 13.816 1.00 0.00
H
ATOM 307 HB3 LEU 19 26.955 25.915 12.217 1.00 0.00
H
ATOM 308 CG LEU 19 28.397 25.758 13.805 1.00 0.00
C
ATOM 309 HG LEU 19 28.740 26.382 14.629 1.00 0.00
H
ATOM 310 CD1 LEU 19 27.991 24.384 14.362 1.00 0.00
C
ATOM 311 HD11 LEU 19 27.605 23.753 13.560 1.00 0.00
H
ATOM 312 HD12 LEU 19 28.842 23.884 14.818 1.00 0.00
H
ATOM 313 HD13 LEU 19 27.219 24.509 15.119 1.00 0.00
H
ATOM 314 CD2 LEU 19 29.558 25.565 12.812 1.00 0.00
C
ATOM 315 HD21 LEU 19 29.954 26.518 12.473 1.00 0.00
H
ATOM 316 HD22 LEU 19 30.372 25.033 13.301 1.00 0.00
H
ATOM 317 HD23 LEU 19 29.223 24.988 11.951 1.00 0.00
H
ATOM 318 C LEU 19 28.265 28.383 12.055 1.00 0.00
C
ATOM 319 O LEU 19 29.177 29.093 12.471 1.00 0.00
O
ATOM 320 N LEU 20 28.171 27.994 10.781 1.00 0.00
N
ATOM 321 H LEU 20 27.390 27.405 10.513 1.00 0.00
H
ATOM 322 CA LEU 20 29.163 28.336 9.765 1.00 0.00
C
ATOM 323 HA LEU 20 30.120 27.896 10.042 1.00 0.00
H
ATOM 324 CB LEU 20 28.698 27.788 8.410 1.00 0.00
C
ATOM 325 HB2 LEU 20 27.665 28.098 8.241 1.00 0.00
H
ATOM 326 HB3 LEU 20 29.311 28.231 7.626 1.00 0.00
H
ATOM 327 CG LEU 20 28.801 26.258 8.302 1.00 0.00
C
ATOM 328 HG LEU 20 28.369 25.795 9.189 1.00 0.00
H
ATOM 329 CD1 LEU 20 28.014 25.778 7.077 1.00 0.00
C
ATOM 330 HD11 LEU 20 28.430 26.217 6.171 1.00 0.00
H
ATOM 331 HD12 LEU 20 28.066 24.692 7.008 1.00 0.00
H
ATOM 332 HD13 LEU 20 26.968 26.073 7.170 1.00 0.00
H
ATOM 333 CD2 LEU 20 30.266 25.814 8.199 1.00 0.00
C
ATOM 334 HD21 LEU 20 30.813 26.083 9.101 1.00 0.00
H
ATOM 335 HD22 LEU 20 30.317 24.732 8.083 1.00 0.00
H
ATOM 336 HD23 LEU 20 30.737 26.286 7.336 1.00 0.00
H
ATOM 337 C LEU 20 29.389 29.846 9.687 1.00 0.00
C
ATOM 338 O LEU 20 30.534 30.288 9.789 1.00 0.00
O
ATOM 339 N ALA 21 28.309 30.624 9.568 1.00 0.00
N
ATOM 340 H ALA 21 27.400 30.181 9.503 1.00 0.00
H
ATOM 341 CA ALA 21 28.366 32.081 9.535 1.00 0.00
C
ATOM 342 HA ALA 21 28.913 32.397 8.645 1.00 0.00
H
ATOM 343 CB ALA 21 26.941 32.640 9.480 1.00 0.00
C
ATOM 344 HB1 ALA 21 26.383 32.359 10.373 1.00 0.00
H
ATOM 345 HB2 ALA 21 26.994 33.725 9.419 1.00 0.00
H
ATOM 346 HB3 ALA 21 26.408 32.265 8.617 1.00 0.00
H
ATOM 347 C ALA 21 29.098 32.644 10.757 1.00 0.00
C
ATOM 348 O ALA 21 30.059 33.401 10.613 1.00 0.00
O
ATOM 349 N ASP 22 28.658 32.263 11.957 1.00 0.00
N
ATOM 350 H ASP 22 27.873 31.620 12.006 1.00 0.00
H
ATOM 351 CA ASP 22 29.218 32.755 13.210 1.00 0.00
C
ATOM 352 HA ASP 22 29.156 33.841 13.197 1.00 0.00
H
ATOM 353 CB ASP 22 28.392 32.231 14.379 1.00 0.00
C
ATOM 354 HB2 ASP 22 27.340 32.274 14.120 1.00 0.00
H
ATOM 355 HB3 ASP 22 28.654 31.186 14.541 1.00 0.00
H
ATOM 356 CG ASP 22 28.620 33.049 15.658 1.00 0.00
C
ATOM 357 OD1 ASP 22 28.638 34.299 15.595 1.00 0.00
O
ATOM 358 OD2 ASP 22 28.758 32.430 16.737 1.00 0.00
O
ATOM 359 C ASP 22 30.682 32.351 13.407 1.00 0.00
C
ATOM 360 O ASP 22 31.460 33.106 13.988 1.00 0.00
O
ATOM 361 N GLN 23 31.071 31.179 12.903 1.00 0.00
N
ATOM 362 H GLN 23 30.366 30.586 12.472 1.00 0.00
H
ATOM 363 CA GLN 23 32.452 30.709 12.930 1.00 0.00
C
ATOM 364 HA GLN 23 32.917 31.052 13.855 1.00 0.00
H
ATOM 365 CB GLN 23 32.471 29.175 12.896 1.00 0.00
C
ATOM 366 HB2 GLN 23 31.882 28.814 12.052 1.00 0.00
H
ATOM 367 HB3 GLN 23 33.496 28.828 12.757 1.00 0.00
H
ATOM 368 CG GLN 23 31.940 28.545 14.188 1.00 0.00
C
ATOM 369 HG2 GLN 23 30.865 28.695 14.273 1.00 0.00
H
ATOM 370 HG3 GLN 23 32.137 27.486 14.087 1.00 0.00
H
ATOM 371 CD GLN 23 32.615 29.069 15.461 1.00 0.00
C
ATOM 372 OE1 GLN 23 31.980 29.495 16.413 1.00 0.00
O
ATOM 373 NE2 GLN 23 33.934 29.104 15.518 1.00 0.00
N
ATOM 374 HE21 GLN 23 34.367 29.468 16.355 1.00 0.00
H
ATOM 375 HE22 GLN 23 34.500 28.765 14.754 1.00 0.00
H
ATOM 376 C GLN 23 33.317 31.304 11.811 1.00 0.00
C
ATOM 377 O GLN 23 34.493 30.948 11.697 1.00 0.00
O
ATOM 378 N GLY 24 32.764 32.200 10.986 1.00 0.00
N
ATOM 379 H GLY 24 31.782 32.432 11.109 1.00 0.00
H
ATOM 380 CA GLY 24 33.490 32.853 9.897 1.00 0.00
C
ATOM 381 HA2 GLY 24 32.876 33.655 9.487 1.00 0.00
H
ATOM 382 HA3 GLY 24 34.425 33.261 10.281 1.00 0.00
H
ATOM 383 C GLY 24 33.830 31.888 8.763 1.00 0.00
C
ATOM 384 O GLY 24 34.790 32.120 8.027 1.00 0.00
O
ATOM 385 N GLN 25 33.082 30.792 8.642 1.00 0.00
N
ATOM 386 H GLN 25 32.266 30.706 9.239 1.00 0.00
H
ATOM 387 CA GLN 25 33.275 29.784 7.611 1.00 0.00
C
ATOM 388 HA GLN 25 34.337 29.728 7.364 1.00 0.00
H
ATOM 389 CB GLN 25 32.815 28.404 8.108 1.00 0.00
C
ATOM 390 HB2 GLN 25 31.749 28.438 8.323 1.00 0.00
H
ATOM 391 HB3 GLN 25 32.965 27.676 7.311 1.00 0.00
H
ATOM 392 CG GLN 25 33.563 27.928 9.365 1.00 0.00
C
ATOM 393 HG2 GLN 25 33.328 28.598 10.189 1.00 0.00
H
ATOM 394 HG3 GLN 25 33.209 26.934 9.640 1.00 0.00
H
ATOM 395 CD GLN 25 35.084 27.870 9.187 1.00 0.00
C
ATOM 396 OE1 GLN 25 35.610 27.606 8.110 1.00 0.00
O
ATOM 397 NE2 GLN 25 35.852 28.132 10.225 1.00 0.00
N
ATOM 398 HE21 GLN 25 36.854 28.108 10.104 1.00 0.00
H
ATOM 399 HE22 GLN 25 35.447 28.415 11.106 1.00 0.00
H
ATOM 400 C GLN 25 32.538 30.182 6.330 1.00 0.00
C
ATOM 401 O GLN 25 31.498 30.843 6.359 1.00 0.00
O
ATOM 402 N SER 26 33.084 29.762 5.193 1.00 0.00
N
ATOM 403 H SER 26 33.919 29.193 5.229 1.00 0.00
H
ATOM 404 CA SER 26 32.488 29.981 3.873 1.00 0.00
C
ATOM 405 HA SER 26 31.691 30.725 3.927 1.00 0.00
H
ATOM 406 CB SER 26 33.543 30.489 2.882 1.00 0.00
C
ATOM 407 HB2 SER 26 34.407 29.822 2.902 1.00 0.00
H
ATOM 408 HB3 SER 26 33.119 30.473 1.876 1.00 0.00
H
ATOM 409 OG SER 26 33.951 31.815 3.192 1.00 0.00
O
ATOM 410 HG SER 26 34.618 32.089 2.541 1.00 0.00
H
ATOM 411 C SER 26 31.894 28.677 3.343 1.00 0.00
C
ATOM 412 O SER 26 32.504 27.608 3.461 1.00 0.00
O
ATOM 413 N TRP 27 30.722 28.765 2.713 1.00 0.00
N
ATOM 414 H TRP 27 30.258 29.660 2.637 1.00 0.00
H
ATOM 415 CA TRP 27 30.060 27.610 2.122 1.00 0.00
C
ATOM 416 HA TRP 27 30.832 26.916 1.791 1.00 0.00
H
ATOM 417 CB TRP 27 29.204 26.891 3.172 1.00 0.00
C
ATOM 418 HB2 TRP 27 28.959 25.895 2.801 1.00 0.00
H
ATOM 419 HB3 TRP 27 29.790 26.766 4.082 1.00 0.00
H
ATOM 420 CG TRP 27 27.929 27.569 3.544 1.00 0.00
C
ATOM 421 CD1 TRP 27 26.720 27.321 3.007 1.00 0.00
C
ATOM 422 HD1 TRP 27 26.539 26.618 2.207 1.00 0.00
H
ATOM 423 NE1 TRP 27 25.759 28.083 3.636 1.00 0.00
N
ATOM 424 HE1 TRP 27 24.763 28.036 3.410 1.00 0.00
H
ATOM 425 CE2 TRP 27 26.330 28.943 4.548 1.00 0.00
C
ATOM 426 CZ2 TRP 27 25.809 29.944 5.370 1.00 0.00
C
ATOM 427 HZ2 TRP 27 24.749 30.149 5.382 1.00 0.00
H
ATOM 428 CH2 TRP 27 26.696 30.715 6.135 1.00 0.00
C
ATOM 429 HH2 TRP 27 26.305 31.526 6.720 1.00 0.00
H
ATOM 430 CZ3 TRP 27 28.077 30.457 6.103 1.00 0.00
C
ATOM 431 HZ3 TRP 27 28.755 31.058 6.692 1.00 0.00
H
ATOM 432 CE3 TRP 27 28.586 29.426 5.296 1.00 0.00
C
ATOM 433 HE3 TRP 27 29.648 29.233 5.277 1.00 0.00
H
ATOM 434 CD2 TRP 27 27.727 28.649 4.496 1.00 0.00
C
ATOM 435 C TRP 27 29.234 27.976 0.891 1.00 0.00
C
ATOM 436 O TRP 27 28.758 29.102 0.722 1.00 0.00
O
ATOM 437 N LYS 28 29.061 26.980 0.031 1.00 0.00
N
ATOM 438 H LYS 28 29.510 26.095 0.244 1.00 0.00
H
ATOM 439 CA LYS 28 28.227 27.036 -1.161 1.00 0.00
C
ATOM 440 HA LYS 28 28.136 28.070 -1.502 1.00 0.00
H
ATOM 441 CB LYS 28 28.963 26.229 -2.243 1.00 0.00
C
ATOM 442 HB2 LYS 28 29.800 26.822 -2.617 1.00 0.00
H
ATOM 443 HB3 LYS 28 29.388 25.341 -1.775 1.00 0.00
H
ATOM 444 CG LYS 28 28.119 25.745 -3.426 1.00 0.00
C
ATOM 445 HG2 LYS 28 28.671 24.920 -3.874 1.00 0.00
H
ATOM 446 HG3 LYS 28 27.163 25.351 -3.086 1.00 0.00
H
ATOM 447 CD LYS 28 27.867 26.811 -4.497 1.00 0.00
C
ATOM 448 HD2 LYS 28 27.374 27.677 -4.052 1.00 0.00
H
ATOM 449 HD3 LYS 28 28.821 27.136 -4.918 1.00 0.00
H
ATOM 450 CE LYS 28 26.973 26.250 -5.613 1.00 0.00
C
ATOM 451 HE2 LYS 28 25.978 26.049 -5.203 1.00 0.00
H
ATOM 452 HE3 LYS 28 26.863 27.014 -6.388 1.00 0.00
H
ATOM 453 NZ LYS 28 27.526 25.006 -6.223 1.00 0.00
N
ATOM 454 HZ1 LYS 28 27.612 24.264 -5.541 1.00 0.00
H
ATOM 455 HZ2 LYS 28 26.915 24.674 -6.960 1.00 0.00
H
ATOM 456 HZ3 LYS 28 28.440 25.170 -6.625 1.00 0.00
H
ATOM 457 C LYS 28 26.819 26.510 -0.837 1.00 0.00
C
ATOM 458 O LYS 28 26.652 25.501 -0.144 1.00 0.00
O
ATOM 459 N GLU 29 25.802 27.177 -1.373 1.00 0.00
N
ATOM 460 H GLU 29 26.000 27.992 -1.938 1.00 0.00
H
ATOM 461 CA GLU 29 24.405 26.761 -1.258 1.00 0.00
C
ATOM 462 HA GLU 29 24.290 26.005 -0.480 1.00 0.00
H
ATOM 463 CB GLU 29 23.538 27.969 -0.883 1.00 0.00
C
ATOM 464 HB2 GLU 29 23.806 28.807 -1.528 1.00 0.00
H
ATOM 465 HB3 GLU 29 22.487 27.742 -1.068 1.00 0.00
H
ATOM 466 CG GLU 29 23.721 28.399 0.581 1.00 0.00
C
ATOM 467 HG2 GLU 29 24.782 28.393 0.834 1.00 0.00
H
ATOM 468 HG3 GLU 29 23.368 29.427 0.672 1.00 0.00
H
ATOM 469 CD GLU 29 22.946 27.538 1.596 1.00 0.00
C
ATOM 470 OE1 GLU 29 22.200 26.609 1.210 1.00 0.00
O
ATOM 471 OE2 GLU 29 23.049 27.825 2.810 1.00 0.00
O
ATOM 472 C GLU 29 23.949 26.163 -2.589 1.00 0.00
C
ATOM 473 O GLU 29 23.838 26.866 -3.597 1.00 0.00
O
ATOM 474 N GLU 30 23.683 24.861 -2.590 1.00 0.00
N
ATOM 475 H GLU 30 23.772 24.349 -1.718 1.00 0.00
H
ATOM 476 CA GLU 30 23.044 24.166 -3.701 1.00 0.00
C
ATOM 477 HA GLU 30 23.197 24.713 -4.629 1.00 0.00
H
ATOM 478 CB GLU 30 23.633 22.766 -3.854 1.00 0.00
C
ATOM 479 HB2 GLU 30 23.746 22.365 -2.853 1.00 0.00
H
ATOM 480 HB3 GLU 30 22.948 22.130 -4.416 1.00 0.00
H
ATOM 481 CG GLU 30 24.996 22.757 -4.549 1.00 0.00
C
ATOM 482 HG2 GLU 30 25.618 23.566 -4.162 1.00 0.00
H
ATOM 483 HG3 GLU 30 25.495 21.815 -4.315 1.00 0.00
H
ATOM 484 CD GLU 30 24.856 22.882 -6.073 1.00 0.00
C
ATOM 485 OE1 GLU 30 24.532 23.982 -6.577 1.00 0.00
O
ATOM 486 OE2 GLU 30 25.113 21.884 -6.785 1.00 0.00
O
ATOM 487 C GLU 30 21.546 24.103 -3.417 1.00 0.00
C
ATOM 488 O GLU 30 21.076 23.319 -2.590 1.00 0.00
O
ATOM 489 N VAL 31 20.795 24.961 -4.100 1.00 0.00
N
ATOM 490 H VAL 31 21.253 25.571 -4.771 1.00 0.00
H
ATOM 491 CA VAL 31 19.343 25.053 -3.937 1.00 0.00
C
ATOM 492 HA VAL 31 19.102 24.875 -2.888 1.00 0.00
H
ATOM 493 CB VAL 31 18.811 26.452 -4.300 1.00 0.00
C
ATOM 494 HB VAL 31 19.020 26.653 -5.351 1.00 0.00
H
ATOM 495 CG1 VAL 31 17.292 26.528 -4.072 1.00 0.00
C
ATOM 496 HG11 VAL 31 17.060 26.302 -3.030 1.00 0.00
H
ATOM 497 HG12 VAL 31 16.933 27.529 -4.312 1.00 0.00
H
ATOM 498 HG13 VAL 31 16.770 25.819 -4.715 1.00 0.00
H
ATOM 499 CG2 VAL 31 19.509 27.532 -3.452 1.00 0.00
C
ATOM 500 HG21 VAL 31 20.582 27.541 -3.646 1.00 0.00
H
ATOM 501 HG22 VAL 31 19.113 28.515 -3.707 1.00 0.00
H
ATOM 502 HG23 VAL 31 19.341 27.342 -2.390 1.00 0.00
H
ATOM 503 C VAL 31 18.680 23.980 -4.795 1.00 0.00
C
ATOM 504 O VAL 31 18.914 23.899 -6.001 1.00 0.00
O
ATOM 505 N VAL 32 17.837 23.173 -4.160 1.00 0.00
N
ATOM 506 H VAL 32 17.799 23.258 -3.142 1.00 0.00
H
ATOM 507 CA VAL 32 17.043 22.120 -4.799 1.00 0.00
C
ATOM 508 HA VAL 32 17.371 21.989 -5.832 1.00 0.00
H
ATOM 509 CB VAL 32 17.224 20.776 -4.063 1.00 0.00
C
ATOM 510 HB VAL 32 16.881 20.880 -3.032 1.00 0.00
H
ATOM 511 CG1 VAL 32 16.416 19.657 -4.738 1.00 0.00
C
ATOM 512 HG11 VAL 32 16.726 19.546 -5.778 1.00 0.00
H
ATOM 513 HG12 VAL 32 16.581 18.715 -4.216 1.00 0.00
H
ATOM 514 HG13 VAL 32 15.351 19.883 -4.701 1.00 0.00
H
ATOM 515 CG2 VAL 32 18.710 20.375 -4.042 1.00 0.00
C
ATOM 516 HG21 VAL 32 19.295 21.108 -3.485 1.00 0.00
H
ATOM 517 HG22 VAL 32 18.828 19.408 -3.555 1.00 0.00
H
ATOM 518 HG23 VAL 32 19.096 20.311 -5.060 1.00 0.00
H
ATOM 519 C VAL 32 15.581 22.556 -4.798 1.00 0.00
C
ATOM 520 O VAL 32 15.026 22.855 -3.743 1.00 0.00
O
ATOM 521 N THR 33 14.956 22.609 -5.975 1.00 0.00
N
ATOM 522 H THR 33 15.460 22.356 -6.814 1.00 0.00
H
ATOM 523 CA THR 33 13.533 22.953 -6.117 1.00 0.00
C
ATOM 524 HA THR 33 13.235 23.589 -5.281 1.00 0.00
H
ATOM 525 CB THR 33 13.269 23.732 -7.412 1.00 0.00
C
ATOM 526 HB THR 33 12.193 23.848 -7.556 1.00 0.00
H
ATOM 527 CG2 THR 33 13.895 25.123 -7.337 1.00 0.00
C
ATOM 528 HG21 THR 33 14.975 25.051 -7.203 1.00 0.00
H
ATOM 529 HG22 THR 33 13.680 25.671 -8.254 1.00 0.00
H
ATOM 530 HG23 THR 33 13.466 25.669 -6.496 1.00 0.00
H
ATOM 531 OG1 THR 33 13.807 23.032 -8.508 1.00 0.00
O
ATOM 532 HG1 THR 33 13.614 23.539 -9.308 1.00 0.00
H
ATOM 533 C THR 33 12.672 21.705 -6.065 1.00 0.00
C
ATOM 534 O THR 33 13.147 20.595 -6.306 1.00 0.00
O
ATOM 535 N VAL 34 11.380 21.900 -5.794 1.00 0.00
N
ATOM 536 H VAL 34 11.078 22.839 -5.550 1.00 0.00
H
ATOM 537 CA VAL 34 10.393 20.808 -5.781 1.00 0.00
C
ATOM 538 HA VAL 34 10.691 20.130 -4.979 1.00 0.00
H
ATOM 539 CB VAL 34 8.977 21.336 -5.451 1.00 0.00
C
ATOM 540 HB VAL 34 9.067 22.030 -4.614 1.00 0.00
H
ATOM 541 CG1 VAL 34 8.318 22.101 -6.610 1.00 0.00
C
ATOM 542 HG11 VAL 34 8.160 21.450 -7.471 1.00 0.00
H
ATOM 543 HG12 VAL 34 7.351 22.493 -6.297 1.00 0.00
H
ATOM 544 HG13 VAL 34 8.955 22.938 -6.889 1.00 0.00
H
ATOM 545 CG2 VAL 34 8.064 20.195 -4.994 1.00 0.00
C
ATOM 546 HG21 VAL 34 8.481 19.721 -4.105 1.00 0.00
H
ATOM 547 HG22 VAL 34 7.073 20.583 -4.755 1.00 0.00
H
ATOM 548 HG23 VAL 34 7.977 19.459 -5.787 1.00 0.00
H
ATOM 549 C VAL 34 10.410 20.025 -7.103 1.00 0.00
C
ATOM 550 O VAL 34 10.293 18.804 -7.086 1.00 0.00
O
ATOM 551 N GLU 35 10.624 20.707 -8.237 1.00 0.00
N
ATOM 552 H GLU 35 10.730 21.711 -8.179 1.00 0.00
H
ATOM 553 CA GLU 35 10.683 20.072 -9.555 1.00 0.00
C
ATOM 554 HA GLU 35 9.778 19.480 -9.700 1.00 0.00
H
ATOM 555 CB GLU 35 10.758 21.124 -10.673 1.00 0.00
C
ATOM 556 HB2 GLU 35 11.705 21.659 -10.604 1.00 0.00
H
ATOM 557 HB3 GLU 35 10.756 20.591 -11.625 1.00 0.00
H
ATOM 558 CG GLU 35 9.590 22.124 -10.690 1.00 0.00
C
ATOM 559 HG2 GLU 35 9.262 22.254 -11.722 1.00 0.00
H
ATOM 560 HG3 GLU 35 8.744 21.717 -10.130 1.00 0.00
H
ATOM 561 CD GLU 35 9.986 23.503 -10.137 1.00 0.00
C
ATOM 562 OE1 GLU 35 10.929 24.132 -10.673 1.00 0.00
O
ATOM 563 OE2 GLU 35 9.340 23.985 -9.180 1.00 0.00
O
ATOM 564 C GLU 35 11.895 19.138 -9.664 1.00 0.00
C
ATOM 565 O GLU 35 11.745 17.975 -10.051 1.00 0.00
O
ATOM 566 N THR 36 13.083 19.634 -9.283 1.00 0.00
N
ATOM 567 H THR 36 13.127 20.595 -8.967 1.00 0.00
H
ATOM 568 CA THR 36 14.338 18.870 -9.286 1.00 0.00
C
ATOM 569 HA THR 36 14.533 18.509 -10.295 1.00 0.00
H
ATOM 570 CB THR 36 15.505 19.764 -8.851 1.00 0.00
C
ATOM 571 HB THR 36 15.374 20.056 -7.806 1.00 0.00
H
ATOM 572 CG2 THR 36 16.853 19.064 -9.024 1.00 0.00
C
ATOM 573 HG21 THR 36 16.996 18.787 -10.069 1.00 0.00
H
ATOM 574 HG22 THR 36 17.659 19.730 -8.715 1.00 0.00
H
ATOM 575 HG23 THR 36 16.898 18.166 -8.408 1.00 0.00
H
ATOM 576 OG1 THR 36 15.531 20.912 -9.671 1.00 0.00
O
ATOM 577 HG1 THR 36 16.164 21.538 -9.299 1.00 0.00
H
ATOM 578 C THR 36 14.233 17.656 -8.371 1.00 0.00
C
ATOM 579 O THR 36 14.725 16.581 -8.714 1.00 0.00
O
ATOM 580 N TRP 37 13.559 17.796 -7.228 1.00 0.00
N
ATOM 581 H TRP 37 13.205 18.715 -6.984 1.00 0.00
H
ATOM 582 CA TRP 37 13.365 16.702 -6.284 1.00 0.00
C
ATOM 583 HA TRP 37 14.327 16.217 -6.116 1.00 0.00
H
ATOM 584 CB TRP 37 12.866 17.264 -4.957 1.00 0.00
C
ATOM 585 HB2 TRP 37 13.507 18.096 -4.669 1.00 0.00
H
ATOM 586 HB3 TRP 37 11.850 17.649 -5.067 1.00 0.00
H
ATOM 587 CG TRP 37 12.899 16.248 -3.863 1.00 0.00
C
ATOM 588 CD1 TRP 37 11.833 15.699 -3.244 1.00 0.00
C
ATOM 589 HD1 TRP 37 10.795 15.934 -3.459 1.00 0.00
H
ATOM 590 NE1 TRP 37 12.263 14.808 -2.282 1.00 0.00
N
ATOM 591 HE1 TRP 37 11.632 14.302 -1.670 1.00 0.00
H
ATOM 592 CE2 TRP 37 13.639 14.736 -2.246 1.00 0.00
C
ATOM 593 CZ2 TRP 37 14.531 14.019 -1.446 1.00 0.00
C
ATOM 594 HZ2 TRP 37 14.153 13.381 -0.665 1.00 0.00
H
ATOM 595 CH2 TRP 37 15.908 14.133 -1.684 1.00 0.00
C
ATOM 596 HH2 TRP 37 16.615 13.572 -1.089 1.00 0.00
H
ATOM 597 CZ3 TRP 37 16.364 14.979 -2.702 1.00 0.00
C
ATOM 598 HZ3 TRP 37 17.420 15.051 -2.861 1.00 0.00
H
ATOM 599 CE3 TRP 37 15.468 15.730 -3.483 1.00 0.00
C
ATOM 600 HE3 TRP 37 15.844 16.392 -4.250 1.00 0.00
H
ATOM 601 CD2 TRP 37 14.077 15.626 -3.270 1.00 0.00
C
ATOM 602 C TRP 37 12.394 15.638 -6.803 1.00 0.00
C
ATOM 603 O TRP 37 12.701 14.446 -6.771 1.00 0.00
O
ATOM 604 N GLN 38 11.240 16.068 -7.321 1.00 0.00
N
ATOM 605 H GLN 38 11.066 17.067 -7.329 1.00 0.00
H
ATOM 606 CA GLN 38 10.202 15.188 -7.870 1.00 0.00
C
ATOM 607 HA GLN 38 9.994 14.393 -7.149 1.00 0.00
H
ATOM 608 CB GLN 38 8.913 15.991 -8.095 1.00 0.00
C
ATOM 609 HB2 GLN 38 9.140 16.877 -8.691 1.00 0.00
H
ATOM 610 HB3 GLN 38 8.202 15.379 -8.654 1.00 0.00
H
ATOM 611 CG GLN 38 8.243 16.392 -6.770 1.00 0.00
C
ATOM 612 HG2 GLN 38 7.953 15.485 -6.239 1.00 0.00
H
ATOM 613 HG3 GLN 38 8.943 16.927 -6.130 1.00 0.00
H
ATOM 614 CD GLN 38 7.001 17.266 -6.963 1.00 0.00
C
ATOM 615 OE1 GLN 38 6.757 17.865 -8.007 1.00 0.00
O
ATOM 616 NE2 GLN 38 6.162 17.376 -5.951 1.00 0.00
N
ATOM 617 HE21 GLN 38 5.342 17.956 -6.058 1.00 0.00
H
ATOM 618 HE22 GLN 38 6.350 16.901 -5.078 1.00 0.00
H
ATOM 619 C GLN 38 10.643 14.488 -9.167 1.00 0.00
C
ATOM 620 O GLN 38 9.940 13.599 -9.652 1.00 0.00
O
ATOM 621 N GLU 39 11.809 14.842 -9.716 1.00 0.00
N
ATOM 622 H GLU 39 12.311 15.627 -9.323 1.00 0.00
H
ATOM 623 CA GLU 39 12.439 14.112 -10.813 1.00 0.00
C
ATOM 624 HA GLU 39 11.679 13.928 -11.573 1.00 0.00
H
ATOM 625 CB GLU 39 13.530 15.001 -11.427 1.00 0.00
C
ATOM 626 HB2 GLU 39 13.129 16.009 -11.544 1.00 0.00
H
ATOM 627 HB3 GLU 39 14.384 15.053 -10.752 1.00 0.00
H
ATOM 628 CG GLU 39 13.989 14.525 -12.809 1.00 0.00
C
ATOM 629 HG2 GLU 39 13.248 13.849 -13.240 1.00 0.00
H
ATOM 630 HG3 GLU 39 14.056 15.391 -13.470 1.00 0.00
H
ATOM 631 CD GLU 39 15.361 13.842 -12.754 1.00 0.00
C
ATOM 632 OE1 GLU 39 16.396 14.550 -12.692 1.00 0.00
O
ATOM 633 OE2 GLU 39 15.426 12.593 -12.792 1.00 0.00
O
ATOM 634 C GLU 39 12.996 12.751 -10.344 1.00 0.00
C
ATOM 635 O GLU 39 13.077 11.806 -11.130 1.00 0.00
O
ATOM 636 N GLY 40 13.334 12.622 -9.053 1.00 0.00
N
ATOM 637 H GLY 40 13.202 13.425 -8.450 1.00 0.00
H
ATOM 638 CA GLY 40 13.749 11.371 -8.406 1.00 0.00
C
ATOM 639 HA2 GLY 40 13.452 11.405 -7.358 1.00 0.00
H
ATOM 640 HA3 GLY 40 13.252 10.531 -8.893 1.00 0.00
H
ATOM 641 C GLY 40 15.253 11.089 -8.447 1.00 0.00
C
ATOM 642 O GLY 40 15.742 10.350 -7.594 1.00 0.00
O
ATOM 643 N SER 41 15.998 11.669 -9.389 1.00 0.00
N
ATOM 644 H SER 41 15.530 12.239 -10.079 1.00 0.00
H
ATOM 645 CA SER 41 17.443 11.429 -9.565 1.00 0.00
C
ATOM 646 HA SER 41 17.599 10.380 -9.824 1.00 0.00
H
ATOM 647 CB SER 41 17.997 12.283 -10.720 1.00 0.00
C
ATOM 648 HB2 SER 41 19.078 12.139 -10.776 1.00 0.00
H
ATOM 649 HB3 SER 41 17.569 11.931 -11.656 1.00 0.00
H
ATOM 650 OG SER 41 17.719 13.670 -10.562 1.00 0.00
O
ATOM 651 HG SER 41 17.401 14.018 -11.429 1.00 0.00
H
ATOM 652 C SER 41 18.266 11.706 -8.298 1.00 0.00
C
ATOM 653 O SER 41 18.992 10.826 -7.822 1.00 0.00
O
ATOM 654 N LEU 42 18.140 12.915 -7.737 1.00 0.00
N
ATOM 655 H LEU 42 17.560 13.596 -8.211 1.00 0.00
H
ATOM 656 CA LEU 42 18.878 13.326 -6.544 1.00 0.00
C
ATOM 657 HA LEU 42 19.912 13.027 -6.696 1.00 0.00
H
ATOM 658 CB LEU 42 18.797 14.862 -6.400 1.00 0.00
C
ATOM 659 HB2 LEU 42 18.849 15.290 -7.403 1.00 0.00
H
ATOM 660 HB3 LEU 42 17.822 15.135 -5.992 1.00 0.00
H
ATOM 661 CG LEU 42 19.908 15.561 -5.579 1.00 0.00
C
ATOM 662 HG LEU 42 19.917 16.608 -5.886 1.00 0.00
H
ATOM 663 CD1 LEU 42 19.636 15.561 -4.081 1.00 0.00
C
ATOM 664 HD11 LEU 42 19.445 14.553 -3.728 1.00 0.00
H
ATOM 665 HD12 LEU 42 20.492 15.969 -3.542 1.00 0.00
H
ATOM 666 HD13 LEU 42 18.781 16.209 -3.897 1.00 0.00
H
ATOM 667 CD2 LEU 42 21.317 15.012 -5.825 1.00 0.00
C
ATOM 668 HD21 LEU 42 21.543 15.031 -6.891 1.00 0.00
H
ATOM 669 HD22 LEU 42 22.049 15.625 -5.298 1.00 0.00
H
ATOM 670 HD23 LEU 42 21.396 13.998 -5.443 1.00 0.00
H
ATOM 671 C LEU 42 18.363 12.569 -5.318 1.00 0.00
C
ATOM 672 O LEU 42 19.146 12.104 -4.497 1.00 0.00
O
ATOM 673 N LYS 43 17.045 12.355 -5.226 1.00 0.00
N
ATOM 674 H LYS 43 16.439 12.741 -5.935 1.00 0.00
H
ATOM 675 CA LYS 43 16.459 11.565 -4.145 1.00 0.00
C
ATOM 676 HA LYS 43 16.678 12.067 -3.203 1.00 0.00
H
ATOM 677 CB LYS 43 14.937 11.498 -4.332 1.00 0.00
C
ATOM 678 HB2 LYS 43 14.554 12.508 -4.492 1.00 0.00
H
ATOM 679 HB3 LYS 43 14.687 10.883 -5.197 1.00 0.00
H
ATOM 680 CG LYS 43 14.281 10.912 -3.077 1.00 0.00
C
ATOM 681 HG2 LYS 43 14.628 9.890 -2.913 1.00 0.00
H
ATOM 682 HG3 LYS 43 14.590 11.516 -2.231 1.00 0.00
H
ATOM 683 CD LYS 43 12.750 10.906 -3.169 1.00 0.00
C
ATOM 684 HD2 LYS 43 12.419 11.753 -3.772 1.00 0.00
H
ATOM 685 HD3 LYS 43 12.423 9.990 -3.665 1.00 0.00
H
ATOM 686 CE LYS 43 12.084 11.027 -1.789 1.00 0.00
C
ATOM 687 HE2 LYS 43 12.323 12.011 -1.376 1.00 0.00
H
ATOM 688 HE3 LYS 43 10.999 10.977 -1.923 1.00 0.00
H
ATOM 689 NZ LYS 43 12.514 9.975 -0.827 1.00 0.00
N
ATOM 690 HZ1 LYS 43 13.503 10.065 -0.621 1.00 0.00
H
ATOM 691 HZ2 LYS 43 12.023 10.078 0.053 1.00 0.00
H
ATOM 692 HZ3 LYS 43 12.327 9.046 -1.183 1.00 0.00
H
ATOM 693 C LYS 43 17.079 10.163 -4.060 1.00 0.00
C
ATOM 694 O LYS 43 17.455 9.722 -2.976 1.00 0.00
O
ATOM 695 N ALA 44 17.227 9.471 -5.191 1.00 0.00
N
ATOM 696 H ALA 44 16.894 9.885 -6.054 1.00 0.00
H
ATOM 697 CA ALA 44 17.793 8.123 -5.234 1.00 0.00
C
ATOM 698 HA ALA 44 17.245 7.490 -4.531 1.00 0.00
H
ATOM 699 CB ALA 44 17.595 7.565 -6.646 1.00 0.00
C
ATOM 700 HB1 ALA 44 18.154 8.163 -7.368 1.00 0.00
H
ATOM 701 HB2 ALA 44 17.956 6.536 -6.683 1.00 0.00
H
ATOM 702 HB3 ALA 44 16.537 7.576 -6.908 1.00 0.00
H
ATOM 703 C ALA 44 19.276 8.080 -4.825 1.00 0.00
C
ATOM 704 O ALA 44 19.714 7.104 -4.213 1.00 0.00
O
ATOM 705 N SER 45 20.051 9.121 -5.134 1.00 0.00
N
ATOM 706 H SER 45 19.656 9.907 -5.636 1.00 0.00
H
ATOM 707 CA SER 45 21.469 9.201 -4.755 1.00 0.00
C
ATOM 708 HA SER 45 21.924 8.219 -4.892 1.00 0.00
H
ATOM 709 CB SER 45 22.219 10.166 -5.685 1.00 0.00
C
ATOM 710 HB2 SER 45 23.273 10.184 -5.402 1.00 0.00
H
ATOM 711 HB3 SER 45 22.144 9.800 -6.711 1.00 0.00
H
ATOM 712 OG SER 45 21.707 11.482 -5.630 1.00 0.00
O
ATOM 713 HG SER 45 22.212 12.035 -6.241 1.00 0.00
H
ATOM 714 C SER 45 21.690 9.577 -3.277 1.00 0.00
C
ATOM 715 O SER 45 22.800 9.401 -2.763 1.00 0.00
O
ATOM 716 N CYS 46 20.656 10.050 -2.568 1.00 0.00
N
ATOM 717 H CYS 46 19.777 10.192 -3.047 1.00 0.00
H
ATOM 718 CA CYS 46 20.709 10.323 -1.132 1.00 0.00
C
ATOM 719 HA CYS 46 21.669 10.780 -0.904 1.00 0.00
H
ATOM 720 CB CYS 46 19.594 11.300 -0.726 1.00 0.00
C
ATOM 721 HB2 CYS 46 18.631 10.910 -1.056 1.00 0.00
H
ATOM 722 HB3 CYS 46 19.585 11.399 0.362 1.00 0.00
H
ATOM 723 SG CYS 46 19.858 12.943 -1.443 1.00 0.00
S
ATOM 724 HG CYS 46 18.797 13.539 -0.886 1.00 0.00
H
ATOM 725 C CYS 46 20.605 9.025 -0.322 1.00 0.00
C
ATOM 726 O CYS 46 19.700 8.218 -0.554 1.00 0.00
O
ATOM 727 N LEU 47 21.482 8.858 0.676 1.00 0.00
N
ATOM 728 H LEU 47 22.195 9.561 0.807 1.00 0.00
H
ATOM 729 CA LEU 47 21.562 7.645 1.500 1.00 0.00
C
ATOM 730 HA LEU 47 21.903 6.834 0.857 1.00 0.00
H
ATOM 731 CB LEU 47 22.588 7.882 2.621 1.00 0.00
C
ATOM 732 HB2 LEU 47 23.543 8.171 2.179 1.00 0.00
H
ATOM 733 HB3 LEU 47 22.241 8.707 3.246 1.00 0.00
H
ATOM 734 CG LEU 47 22.802 6.641 3.511 1.00 0.00
C
ATOM 735 HG LEU 47 21.851 6.324 3.941 1.00 0.00
H
ATOM 736 CD1 LEU 47 23.400 5.469 2.715 1.00 0.00
C
ATOM 737 HD11 LEU 47 24.347 5.768 2.264 1.00 0.00
H
ATOM 738 HD12 LEU 47 23.571 4.622 3.380 1.00 0.00
H
ATOM 739 HD13 LEU 47 22.716 5.145 1.931 1.00 0.00
H
ATOM 740 CD2 LEU 47 23.733 7.008 4.669 1.00 0.00
C
ATOM 741 HD21 LEU 47 23.308 7.834 5.235 1.00 0.00
H
ATOM 742 HD22 LEU 47 23.852 6.150 5.332 1.00 0.00
H
ATOM 743 HD23 LEU 47 24.708 7.312 4.288 1.00 0.00
H
ATOM 744 C LEU 47 20.212 7.220 2.097 1.00 0.00
C
ATOM 745 O LEU 47 19.834 6.050 2.003 1.00 0.00
O
ATOM 746 N TYR 48 19.492 8.166 2.701 1.00 0.00
N
ATOM 747 H TYR 48 19.892 9.093 2.767 1.00 0.00
H
ATOM 748 CA TYR 48 18.157 7.948 3.277 1.00 0.00
C
ATOM 749 HA TYR 48 17.944 6.879 3.301 1.00 0.00
H
ATOM 750 CB TYR 48 18.142 8.456 4.728 1.00 0.00
C
ATOM 751 HB2 TYR 48 18.256 9.541 4.723 1.00 0.00
H
ATOM 752 HB3 TYR 48 17.168 8.233 5.166 1.00 0.00
H
ATOM 753 CG TYR 48 19.202 7.842 5.627 1.00 0.00
C
ATOM 754 CD1 TYR 48 19.098 6.497 6.037 1.00 0.00
C
ATOM 755 HD1 TYR 48 18.260 5.897 5.708 1.00 0.00
H
ATOM 756 CE1 TYR 48 20.083 5.928 6.868 1.00 0.00
C
ATOM 757 HE1 TYR 48 20.002 4.892 7.171 1.00 0.00
H
ATOM 758 CZ TYR 48 21.178 6.710 7.301 1.00 0.00
C
ATOM 759 OH TYR 48 22.158 6.166 8.073 1.00 0.00
O
ATOM 760 HH TYR 48 22.010 5.231 8.254 1.00 0.00
H
ATOM 761 CE2 TYR 48 21.266 8.065 6.914 1.00 0.00
C
ATOM 762 HE2 TYR 48 22.104 8.663 7.244 1.00 0.00
H
ATOM 763 CD2 TYR 48 20.289 8.622 6.068 1.00 0.00
C
ATOM 764 HD2 TYR 48 20.378 9.653 5.750 1.00 0.00
H
ATOM 765 C TYR 48 17.045 8.584 2.422 1.00 0.00
C
ATOM 766 O TYR 48 15.947 8.855 2.911 1.00 0.00
O
ATOM 767 N GLY 49 17.340 8.878 1.148 1.00 0.00
N
ATOM 768 H GLY 49 18.238 8.571 0.787 1.00 0.00
H
ATOM 769 CA GLY 49 16.397 9.481 0.207 1.00 0.00
C
ATOM 770 HA2 GLY 49 16.880 9.558 -0.757 1.00 0.00
H
ATOM 771 HA3 GLY 49 15.520 8.841 0.116 1.00 0.00
H
ATOM 772 C GLY 49 15.933 10.874 0.614 1.00 0.00
C
ATOM 773 O GLY 49 14.810 11.240 0.287 1.00 0.00
O
ATOM 774 N GLN 50 16.740 11.628 1.364 1.00 0.00
N
ATOM 775 H GLN 50 17.651 11.271 1.612 1.00 0.00
H
ATOM 776 CA GLN 50 16.349 12.924 1.918 1.00 0.00
C
ATOM 777 HA GLN 50 15.582 13.376 1.284 1.00 0.00
H
ATOM 778 CB GLN 50 15.769 12.746 3.332 1.00 0.00
C
ATOM 779 HB2 GLN 50 16.471 12.181 3.950 1.00 0.00
H
ATOM 780 HB3 GLN 50 15.636 13.730 3.784 1.00 0.00
H
ATOM 781 CG GLN 50 14.403 12.046 3.324 1.00 0.00
C
ATOM 782 HG2 GLN 50 13.769 12.526 2.577 1.00 0.00
H
ATOM 783 HG3 GLN 50 14.515 11.000 3.050 1.00 0.00
H
ATOM 784 CD GLN 50 13.708 12.114 4.681 1.00 0.00
C
ATOM 785 OE1 GLN 50 14.303 11.923 5.738 1.00 0.00
O
ATOM 786 NE2 GLN 50 12.421 12.400 4.706 1.00 0.00
N
ATOM 787 HE21 GLN 50 11.950 12.455 5.598 1.00 0.00
H
ATOM 788 HE22 GLN 50 11.916 12.560 3.844 1.00 0.00
H
ATOM 789 C GLN 50 17.517 13.911 1.964 1.00 0.00
C
ATOM 790 O GLN 50 18.690 13.531 1.976 1.00 0.00
O
ATOM 791 N LEU 51 17.152 15.193 2.025 1.00 0.00
N
ATOM 792 H LEU 51 16.161 15.397 2.039 1.00 0.00
H
ATOM 793 CA LEU 51 18.036 16.322 2.297 1.00 0.00
C
ATOM 794 HA LEU 51 19.070 16.012 2.148 1.00 0.00
H
ATOM 795 CB LEU 51 17.682 17.460 1.315 1.00 0.00
C
ATOM 796 HB2 LEU 51 16.662 17.788 1.522 1.00 0.00
H
ATOM 797 HB3 LEU 51 18.337 18.304 1.481 1.00 0.00
H
ATOM 798 CG LEU 51 17.796 17.119 -0.179 1.00 0.00
C
ATOM 799 HG LEU 51 17.092 16.325 -0.416 1.00 0.00
H
ATOM 800 CD1 LEU 51 17.430 18.356 -1.009 1.00 0.00
C
ATOM 801 HD11 LEU 51 18.164 19.144 -0.854 1.00 0.00
H
ATOM 802 HD12 LEU 51 17.412 18.093 -2.065 1.00 0.00
H
ATOM 803 HD13 LEU 51 16.448 18.724 -0.722 1.00 0.00
H
ATOM 804 CD2 LEU 51 19.214 16.669 -0.550 1.00 0.00
C
ATOM 805 HD21 LEU 51 19.469 15.742 -0.037 1.00 0.00
H
ATOM 806 HD22 LEU 51 19.262 16.490 -1.618 1.00 0.00
H
ATOM 807 HD23 LEU 51 19.937 17.441 -0.288 1.00 0.00
H
ATOM 808 C LEU 51 17.860 16.758 3.772 1.00 0.00
C
ATOM 809 O LEU 51 16.846 16.403 4.389 1.00 0.00
O
ATOM 810 N PRO 52 18.791 17.534 4.358 1.00 0.00
N
ATOM 811 CD PRO 52 18.693 17.986 5.741 1.00 0.00
C
ATOM 812 HD2 PRO 52 18.399 17.176 6.409 1.00 0.00
H
ATOM 813 HD3 PRO 52 17.978 18.804 5.811 1.00 0.00
H
ATOM 814 CG PRO 52 20.081 18.501 6.100 1.00 0.00
C
ATOM 815 HG2 PRO 52 20.722 17.667 6.393 1.00 0.00
H
ATOM 816 HG3 PRO 52 20.046 19.263 6.879 1.00 0.00
H
ATOM 817 CB PRO 52 20.544 19.070 4.765 1.00 0.00
C
ATOM 818 HB2 PRO 52 21.627 19.195 4.712 1.00 0.00
H
ATOM 819 HB3 PRO 52 20.041 20.007 4.573 1.00 0.00
H
ATOM 820 CA PRO 52 20.002 18.077 3.751 1.00 0.00
C
ATOM 821 HA PRO 52 19.769 18.638 2.855 1.00 0.00
H
ATOM 822 C PRO 52 21.048 17.030 3.401 1.00 0.00
C
ATOM 823 O PRO 52 21.212 16.017 4.080 1.00 0.00
O
ATOM 824 N LYS 53 21.775 17.335 2.333 1.00 0.00
N
ATOM 825 H LYS 53 21.557 18.204 1.852 1.00 0.00
H
ATOM 826 CA LYS 53 23.035 16.705 1.965 1.00 0.00
C
ATOM 827 HA LYS 53 23.235 15.846 2.608 1.00 0.00
H
ATOM 828 CB LYS 53 22.928 16.215 0.510 1.00 0.00
C
ATOM 829 HB2 LYS 53 22.231 15.379 0.477 1.00 0.00
H
ATOM 830 HB3 LYS 53 22.479 16.985 -0.100 1.00 0.00
H
ATOM 831 CG LYS 53 24.266 15.790 -0.115 1.00 0.00
C
ATOM 832 HG2 LYS 53 25.003 16.584 0.004 1.00 0.00
H
ATOM 833 HG3 LYS 53 24.630 14.891 0.385 1.00 0.00
H
ATOM 834 CD LYS 53 24.103 15.522 -1.616 1.00 0.00
C
ATOM 835 HD2 LYS 53 23.501 14.624 -1.762 1.00 0.00
H
ATOM 836 HD3 LYS 53 23.595 16.368 -2.084 1.00 0.00
H
ATOM 837 CE LYS 53 25.485 15.350 -2.262 1.00 0.00
C
ATOM 838 HE2 LYS 53 26.063 16.268 -2.105 1.00 0.00
H
ATOM 839 HE3 LYS 53 26.009 14.529 -1.766 1.00 0.00
H
ATOM 840 NZ LYS 53 25.379 15.072 -3.722 1.00 0.00
N
ATOM 841 HZ1 LYS 53 24.909 15.827 -4.208 1.00 0.00
H
ATOM 842 HZ2 LYS 53 26.295 14.964 -4.139 1.00 0.00
H
ATOM 843 HZ3 LYS 53 24.864 14.217 -3.895 1.00 0.00
H
ATOM 844 C LYS 53 24.141 17.741 2.190 1.00 0.00
C
ATOM 845 O LYS 53 23.939 18.940 1.966 1.00 0.00
O
ATOM 846 N PHE 54 25.311 17.295 2.624 1.00 0.00
N
ATOM 847 H PHE 54 25.418 16.300 2.793 1.00 0.00
H
ATOM 848 CA PHE 54 26.443 18.155 2.929 1.00 0.00
C
ATOM 849 HA PHE 54 26.270 19.153 2.528 1.00 0.00
H
ATOM 850 CB PHE 54 26.582 18.259 4.441 1.00 0.00
C
ATOM 851 HB2 PHE 54 25.595 18.446 4.844 1.00 0.00
H
ATOM 852 HB3 PHE 54 26.931 17.310 4.837 1.00 0.00
H
ATOM 853 CG PHE 54 27.485 19.375 4.908 1.00 0.00
C
ATOM 854 CD1 PHE 54 27.003 20.696 4.895 1.00 0.00
C
ATOM 855 HD1 PHE 54 26.005 20.903 4.537 1.00 0.00
H
ATOM 856 CE1 PHE 54 27.809 21.743 5.367 1.00 0.00
C
ATOM 857 HE1 PHE 54 27.436 22.755 5.384 1.00 0.00
H
ATOM 858 CZ PHE 54 29.101 21.471 5.847 1.00 0.00
C
ATOM 859 HZ PHE 54 29.713 22.279 6.221 1.00 0.00
H
ATOM 860 CE2 PHE 54 29.589 20.156 5.848 1.00 0.00
C
ATOM 861 HE2 PHE 54 30.581 19.950 6.223 1.00 0.00
H
ATOM 862 CD2 PHE 54 28.783 19.103 5.377 1.00 0.00
C
ATOM 863 HD2 PHE 54 29.161 18.091 5.389 1.00 0.00
H
ATOM 864 C PHE 54 27.711 17.595 2.315 1.00 0.00
C
ATOM 865 O PHE 54 27.886 16.382 2.238 1.00 0.00
O
ATOM 866 N GLN 55 28.600 18.475 1.884 1.00 0.00
N
ATOM 867 H GLN 55 28.390 19.466 1.956 1.00 0.00
H
ATOM 868 CA GLN 55 29.893 18.082 1.354 1.00 0.00
C
ATOM 869 HA GLN 55 30.078 17.032 1.561 1.00 0.00
H
ATOM 870 CB GLN 55 29.931 18.272 -0.165 1.00 0.00
C
ATOM 871 HB2 GLN 55 29.729 19.311 -0.390 1.00 0.00
H
ATOM 872 HB3 GLN 55 30.932 18.035 -0.528 1.00 0.00
H
ATOM 873 CG GLN 55 28.911 17.373 -0.884 1.00 0.00
C
ATOM 874 HG2 GLN 55 29.184 16.332 -0.705 1.00 0.00
H
ATOM 875 HG3 GLN 55 27.910 17.532 -0.485 1.00 0.00
H
ATOM 876 CD GLN 55 28.844 17.633 -2.388 1.00 0.00
C
ATOM 877 OE1 GLN 55 28.900 18.761 -2.867 1.00 0.00
O
ATOM 878 NE2 GLN 55 28.697 16.598 -3.192 1.00 0.00
N
ATOM 879 HE21 GLN 55 28.677 16.763 -4.189 1.00 0.00
H
ATOM 880 HE22 GLN 55 28.710 15.658 -2.819 1.00 0.00
H
ATOM 881 C GLN 55 30.972 18.895 2.053 1.00 0.00
C
ATOM 882 O GLN 55 30.864 20.115 2.164 1.00 0.00
O
ATOM 883 N ASP 56 32.004 18.201 2.519 1.00 0.00
N
ATOM 884 H ASP 56 31.981 17.191 2.420 1.00 0.00
H
ATOM 885 CA ASP 56 33.210 18.773 3.103 1.00 0.00
C
ATOM 886 HA ASP 56 33.236 19.848 2.930 1.00 0.00
H
ATOM 887 CB ASP 56 33.235 18.529 4.618 1.00 0.00
C
ATOM 888 HB2 ASP 56 32.328 18.942 5.059 1.00 0.00
H
ATOM 889 HB3 A
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Received on Tue Apr 12 2011 - 12:30:04 PDT
