Hi, I am having a problem when trying to heat my system. I put here the
error message but I can´t find the problem in my structure.
80: 177 - 178 and 81: 177 - 179
Hydrogen atom 177 appears to have multiple bonds to atoms 178 and 179 which
is illegal for SHAKEH.
Exiting due to the presence of inconsistent SHAKEH hydrogen clusters.
Could you help me with this?. Thank you very much. The input for heating
and the pdb file from the previous minimization step are shown below.
Regards,
Alicia
MD1-heating
&cntrl
imin=0
ntb=1
ntpr=1000
ntwx=1000
ntt=3
gamma_ln=2.0
tempi=0.0
temp0=300.0
nstlim=3000000
ig=-1
dt=0.002
cut=10.0
ntr=1
ntc=2
ntf=2
ioutfm=1
restraint_wt=1.0
restraintmask=':
1-1108.CA,C,O,N'
nmropt=1
iwrap=1
/
&wt TYPE='TEMP0', ISTEP1=1, ISTEP2=1500000,
VALUE1=0, VALUE2=300.00,
/
&wt TYPE='END' &end/
DISANG=rest
PDB
CRYST1 120.473 120.473 120.473 109.47 109.47 109.47 1
ATOM 1 N HIE 1 48.735 25.484 56.687 1.00 0.00
N
ATOM 2 H1 HIE 1 47.795 25.798 56.468 1.00 0.00
H
ATOM 3 H2 HIE 1 48.779 25.296 57.683 1.00 0.00
H
ATOM 4 H3 HIE 1 48.940 24.650 56.162 1.00 0.00
H
ATOM 5 CA HIE 1 49.701 26.558 56.367 1.00 0.00
C
ATOM 6 HA HIE 1 50.361 26.685 57.217 1.00 0.00
H
ATOM 7 CB HIE 1 50.581 26.206 55.162 1.00 0.00
C
ATOM 8 HB2 HIE 1 51.344 26.982 55.063 1.00 0.00
H
ATOM 9 HB3 HIE 1 51.099 25.264 55.353 1.00 0.00
H
ATOM 10 CG HIE 1 49.841 26.123 53.849 1.00 0.00
C
ATOM 11 ND1 HIE 1 49.306 27.212 53.206 1.00 0.00
N
ATOM 12 CE1 HIE 1 48.754 26.769 52.075 1.00 0.00
C
ATOM 13 HE1 HIE 1 48.245 27.401 51.359 1.00 0.00
H
ATOM 14 NE2 HIE 1 48.925 25.440 51.976 1.00 0.00
N
ATOM 15 HE2 HIE 1 48.585 24.868 51.217 1.00 0.00
H
ATOM 16 CD2 HIE 1 49.612 25.008 53.093 1.00 0.00
C
ATOM 17 HD2 HIE 1 49.929 23.999 53.315 1.00 0.00
H
ATOM 18 C HIE 1 48.955 27.873 56.176 1.00 0.00
C
ATOM 19 O HIE 1 47.729 27.856 56.058 1.00 0.00
O
ATOM 20 N HIE 2 49.636 29.015 56.192 1.00 0.00
N
ATOM 21 H HIE 2 50.636 29.004 56.404 1.00 0.00
H
ATOM 22 CA HIE 2 48.984 30.314 56.017 1.00 0.00
C
ATOM 23 HA HIE 2 48.279 30.437 56.836 1.00 0.00
H
ATOM 24 CB HIE 2 50.041 31.418 56.152 1.00 0.00
C
ATOM 25 HB2 HIE 2 50.713 31.183 56.980 1.00 0.00
H
ATOM 26 HB3 HIE 2 50.648 31.458 55.246 1.00 0.00
H
ATOM 27 CG HIE 2 49.438 32.779 56.392 1.00 0.00
C
ATOM 28 ND1 HIE 2 48.711 33.506 55.465 1.00 0.00
N
ATOM 29 CE1 HIE 2 48.325 34.626 56.096 1.00 0.00
C
ATOM 30 HE1 HIE 2 47.740 35.415 55.645 1.00 0.00
H
ATOM 31 NE2 HIE 2 48.761 34.626 57.365 1.00 0.00
N
ATOM 32 HE2 HIE 2 48.561 35.337 58.056 1.00 0.00
H
ATOM 33 CD2 HIE 2 49.466 33.463 57.572 1.00 0.00
C
ATOM 34 HD2 HIE 2 49.932 33.136 58.491 1.00 0.00
H
ATOM 35 C HIE 2 48.238 30.422 54.667 1.00 0.00
C
ATOM 36 O HIE 2 48.821 30.235 53.601 1.00 0.00
O
ATOM 37 N PRO 3 46.945 30.770 54.644 1.00 0.00
N
ATOM 38 CD PRO 3 46.132 31.128 55.787 1.00 0.00
C
ATOM 39 HD2 PRO 3 46.609 31.910 56.379 1.00 0.00
H
ATOM 40 HD3 PRO 3 45.952 30.244 56.400 1.00 0.00
H
ATOM 41 CG PRO 3 44.820 31.639 55.207 1.00 0.00
C
ATOM 42 HG2 PRO 3 44.866 32.723 55.089 1.00 0.00
H
ATOM 43 HG3 PRO 3 43.977 31.367 55.845 1.00 0.00
H
ATOM 44 CB PRO 3 44.723 30.988 53.828 1.00 0.00
C
ATOM 45 HB2 PRO 3 44.172 31.617 53.126 1.00 0.00
H
ATOM 46 HB3 PRO 3 44.221 30.021 53.911 1.00 0.00
H
ATOM 47 CA PRO 3 46.177 30.775 53.399 1.00 0.00
C
ATOM 48 HA PRO 3 46.263 29.798 52.922 1.00 0.00
H
ATOM 49 C PRO 3 46.636 31.829 52.376 1.00 0.00
C
ATOM 50 O PRO 3 46.307 31.726 51.197 1.00 0.00
O
ATOM 51 N CYX 4 47.432 32.819 52.778 1.00 0.00
N
ATOM 52 H CYX 4 47.715 32.860 53.752 1.00 0.00
H
ATOM 53 CA CYX 4 48.050 33.754 51.844 1.00 0.00
C
ATOM 54 HA CYX 4 47.353 33.939 51.025 1.00 0.00
H
ATOM 55 CB CYX 4 48.287 35.095 52.548 1.00 0.00
C
ATOM 56 HB2 CYX 4 48.946 34.938 53.399 1.00 0.00
H
ATOM 57 HB3 CYX 4 48.806 35.765 51.863 1.00 0.00
H
ATOM 58 SG CYX 4 46.773 35.924 53.100 1.00 0.00
S
ATOM 59 C CYX 4 49.349 33.227 51.200 1.00 0.00
C
ATOM 60 O CYX 4 49.925 33.935 50.380 1.00 0.00
O
ATOM 61 N CYX 5 49.829 32.014 51.508 1.00 0.00
N
ATOM 62 H CYX 5 49.357 31.460 52.218 1.00 0.00
H
ATOM 63 CA CYX 5 51.102 31.502 50.976 1.00 0.00
C
ATOM 64 HA CYX 5 51.915 32.126 51.351 1.00 0.00
H
ATOM 65 CB CYX 5 51.329 30.061 51.465 1.00 0.00
C
ATOM 66 HB2 CYX 5 50.401 29.499 51.353 1.00 0.00
H
ATOM 67 HB3 CYX 5 52.083 29.588 50.834 1.00 0.00
H
ATOM 68 SG CYX 5 51.892 29.898 53.173 1.00 0.00
S
ATOM 69 C CYX 5 51.202 31.499 49.441 1.00 0.00
C
ATOM 70 O CYX 5 52.296 31.575 48.898 1.00 0.00
O
ATOM 71 N SER 6 50.097 31.389 48.705 1.00 0.00
N
ATOM 72 H SER 6 49.198 31.321 49.159 1.00 0.00
H
ATOM 73 CA SER 6 50.138 31.473 47.240 1.00 0.00
C
ATOM 74 HA SER 6 51.020 30.940 46.889 1.00 0.00
H
ATOM 75 CB SER 6 48.910 30.770 46.652 1.00 0.00
C
ATOM 76 HB2 SER 6 49.010 30.727 45.566 1.00 0.00
H
ATOM 77 HB3 SER 6 48.867 29.752 47.038 1.00 0.00
H
ATOM 78 OG SER 6 47.705 31.427 46.989 1.00 0.00
O
ATOM 79 HG SER 6 46.998 31.012 46.469 1.00 0.00
H
ATOM 80 C SER 6 50.262 32.900 46.679 1.00 0.00
C
ATOM 81 O SER 6 50.296 33.061 45.463 1.00 0.00
O
ATOM 82 N ASN 7 50.321 33.932 47.529 1.00 0.00
N
ATOM 83 H ASN 7 50.335 33.731 48.523 1.00 0.00
H
ATOM 84 CA ASN 7 50.263 35.347 47.144 1.00 0.00
C
ATOM 85 HA ASN 7 50.126 35.913 48.067 1.00 0.00
H
ATOM 86 CB ASN 7 51.609 35.801 46.548 1.00 0.00
C
ATOM 87 HB2 ASN 7 51.745 35.333 45.573 1.00 0.00
H
ATOM 88 HB3 ASN 7 51.600 36.880 46.401 1.00 0.00
H
ATOM 89 CG ASN 7 52.783 35.455 47.442 1.00 0.00
C
ATOM 90 OD1 ASN 7 52.811 35.782 48.618 1.00 0.00
O
ATOM 91 ND2 ASN 7 53.757 34.747 46.920 1.00 0.00
N
ATOM 92 HD21 ASN 7 54.503 34.468 47.529 1.00 0.00
H
ATOM 93 HD22 ASN 7 53.721 34.499 45.948 1.00 0.00
H
ATOM 94 C ASN 7 49.038 35.668 46.255 1.00 0.00
C
ATOM 95 O ASN 7 49.167 36.166 45.133 1.00 0.00
O
ATOM 96 N PRO 8 47.811 35.371 46.715 1.00 0.00
N
ATOM 97 CD PRO 8 47.448 34.951 48.062 1.00 0.00
C
ATOM 98 HD2 PRO 8 47.884 35.607 48.817 1.00 0.00
H
ATOM 99 HD3 PRO 8 47.761 33.921 48.232 1.00 0.00
H
ATOM 100 CG PRO 8 45.922 35.028 48.114 1.00 0.00
C
ATOM 101 HG2 PRO 8 45.606 36.026 48.426 1.00 0.00
H
ATOM 102 HG3 PRO 8 45.497 34.281 48.787 1.00 0.00
H
ATOM 103 CB PRO 8 45.516 34.792 46.658 1.00 0.00
C
ATOM 104 HB2 PRO 8 44.541 35.227 46.430 1.00 0.00
H
ATOM 105 HB3 PRO 8 45.489 33.718 46.457 1.00 0.00
H
ATOM 106 CA PRO 8 46.642 35.444 45.847 1.00 0.00
C
ATOM 107 HA PRO 8 46.816 34.858 44.943 1.00 0.00
H
ATOM 108 C PRO 8 46.282 36.880 45.435 1.00 0.00
C
ATOM 109 O PRO 8 45.813 37.113 44.322 1.00 0.00
O
ATOM 110 N CYX 9 46.516 37.869 46.297 1.00 0.00
N
ATOM 111 H CYX 9 46.958 37.652 47.174 1.00 0.00
H
ATOM 112 CA CYX 9 46.103 39.245 46.039 1.00 0.00
C
ATOM 113 HA CYX 9 45.103 39.223 45.603 1.00 0.00
H
ATOM 114 CB CYX 9 46.017 40.017 47.360 1.00 0.00
C
ATOM 115 HB2 CYX 9 47.028 40.200 47.729 1.00 0.00
H
ATOM 116 HB3 CYX 9 45.552 40.984 47.169 1.00 0.00
H
ATOM 117 SG CYX 9 45.079 39.171 48.654 1.00 0.00
S
ATOM 118 C CYX 9 47.039 39.957 45.053 1.00 0.00
C
ATOM 119 O CYX 9 48.239 40.085 45.279 1.00 0.00
O
ATOM 120 N GLN 10 46.489 40.461 43.955 1.00 0.00
N
ATOM 121 H GLN 10 45.484 40.389 43.833 1.00 0.00
H
ATOM 122 CA GLN 10 47.262 41.120 42.906 1.00 0.00
C
ATOM 123 HA GLN 10 48.308 40.817 42.978 1.00 0.00
H
ATOM 124 CB GLN 10 46.729 40.675 41.534 1.00 0.00
C
ATOM 125 HB2 GLN 10 45.724 41.079 41.401 1.00 0.00
H
ATOM 126 HB3 GLN 10 47.366 41.096 40.757 1.00 0.00
H
ATOM 127 CG GLN 10 46.676 39.146 41.354 1.00 0.00
C
ATOM 128 HG2 GLN 10 45.912 38.738 42.018 1.00 0.00
H
ATOM 129 HG3 GLN 10 46.374 38.919 40.334 1.00 0.00
H
ATOM 130 CD GLN 10 48.010 38.452 41.623 1.00 0.00
C
ATOM 131 OE1 GLN 10 49.030 38.739 40.999 1.00 0.00
O
ATOM 132 NE2 GLN 10 48.036 37.501 42.529 1.00 0.00
N
ATOM 133 HE21 GLN 10 48.904 37.097 42.844 1.00 0.00
H
ATOM 134 HE22 GLN 10 47.196 37.294 43.063 1.00 0.00
H
ATOM 135 C GLN 10 47.220 42.651 43.041 1.00 0.00
C
ATOM 136 O GLN 10 46.493 43.215 43.856 1.00 0.00
O
ATOM 137 N ASN 11 47.993 43.359 42.214 1.00 0.00
N
ATOM 138 H ASN 11 48.583 42.854 41.569 1.00 0.00
H
ATOM 139 CA ASN 11 47.864 44.813 42.034 1.00 0.00
C
ATOM 140 HA ASN 11 48.711 45.130 41.424 1.00 0.00
H
ATOM 141 CB ASN 11 46.595 45.138 41.224 1.00 0.00
C
ATOM 142 HB2 ASN 11 45.711 44.854 41.796 1.00 0.00
H
ATOM 143 HB3 ASN 11 46.545 46.210 41.043 1.00 0.00
H
ATOM 144 CG ASN 11 46.585 44.438 39.884 1.00 0.00
C
ATOM 145 OD1 ASN 11 47.551 44.472 39.136 1.00 0.00
O
ATOM 146 ND2 ASN 11 45.547 43.710 39.566 1.00 0.00
N
ATOM 147 HD21 ASN 11 45.532 43.288 38.654 1.00 0.00
H
ATOM 148 HD22 ASN 11 44.751 43.663 40.197 1.00 0.00
H
ATOM 149 C ASN 11 47.983 45.639 43.331 1.00 0.00
C
ATOM 150 O ASN 11 47.307 46.647 43.501 1.00 0.00
O
ATOM 151 N ARG 12 48.865 45.224 44.252 1.00 0.00
N
ATOM 152 H ARG 12 49.316 44.338 44.071 1.00 0.00
H
ATOM 153 CA ARG 12 49.054 45.841 45.583 1.00 0.00
C
ATOM 154 HA ARG 12 49.874 45.313 46.067 1.00 0.00
H
ATOM 155 CB ARG 12 49.429 47.339 45.488 1.00 0.00
C
ATOM 156 HB2 ARG 12 48.533 47.895 45.215 1.00 0.00
H
ATOM 157 HB3 ARG 12 49.681 47.701 46.483 1.00 0.00
H
ATOM 158 CG ARG 12 50.535 47.741 44.494 1.00 0.00
C
ATOM 159 HG2 ARG 12 50.390 47.218 43.548 1.00 0.00
H
ATOM 160 HG3 ARG 12 50.410 48.803 44.283 1.00 0.00
H
ATOM 161 CD ARG 12 51.984 47.515 44.954 1.00 0.00
C
ATOM 162 HD2 ARG 12 52.282 46.514 44.641 1.00 0.00
H
ATOM 163 HD3 ARG 12 52.627 48.223 44.426 1.00 0.00
H
ATOM 164 NE ARG 12 52.176 47.633 46.418 1.00 0.00
N
ATOM 165 HE ARG 12 52.023 46.792 46.950 1.00 0.00
H
ATOM 166 CZ ARG 12 52.470 48.709 47.129 1.00 0.00
C
ATOM 167 NH1 ARG 12 52.633 49.886 46.595 1.00 0.00
N
ATOM 168 HH11 ARG 12 52.500 50.003 45.608 1.00 0.00
H
ATOM 169 HH12 ARG 12 52.829 50.671 47.196 1.00 0.00
H
ATOM 170 NH2 ARG 12 52.618 48.615 48.417 1.00 0.00
N
ATOM 171 HH21 ARG 12 52.457 47.758 48.915 1.00 0.00
H
ATOM 172 HH22 ARG 12 52.944 49.417 48.965 1.00 0.00
H
ATOM 173 C ARG 12 47.874 45.658 46.554 1.00 0.00
C
ATOM 174 O ARG 12 47.877 46.284 47.612 1.00 0.00
O
ATOM 175 N GLY 13 46.897 44.811 46.243 1.00 0.00
N
ATOM 176 H GLY 13 46.916 44.321 45.357 1.00 0.00
H
ATOM 177 CA GLY 13 45.932 44.372 47.243 1.00 0.00
C
ATOM 178 HA2 GLY 13 45.428 45.242 47.662 1.00 0.00
H
ATOM 179 HA3 GLY 13 45.193 43.720 46.785 1.00 0.00
H
ATOM 180 C GLY 13 46.618 43.596 48.365 1.00 0.00
C
ATOM 181 O GLY 13 47.637 42.942 48.153 1.00 0.00
O
ATOM 182 N GLU 14 46.099 43.681 49.580 1.00 0.00
N
ATOM 183 H GLU 14 45.248 44.220 49.718 1.00 0.00
H
ATOM 184 CA GLU 14 46.798 43.136 50.746 1.00 0.00
C
ATOM 185 HA GLU 14 47.815 42.850 50.477 1.00 0.00
H
ATOM 186 CB GLU 14 46.921 44.202 51.837 1.00 0.00
C
ATOM 187 HB2 GLU 14 45.932 44.452 52.221 1.00 0.00
H
ATOM 188 HB3 GLU 14 47.519 43.785 52.650 1.00 0.00
H
ATOM 189 CG GLU 14 47.602 45.472 51.298 1.00 0.00
C
ATOM 190 HG2 GLU 14 48.570 45.195 50.875 1.00 0.00
H
ATOM 191 HG3 GLU 14 46.989 45.916 50.512 1.00 0.00
H
ATOM 192 CD GLU 14 47.812 46.526 52.379 1.00 0.00
C
ATOM 193 OE1 GLU 14 47.515 46.249 53.556 1.00 0.00
O
ATOM 194 OE2 GLU 14 48.331 47.627 52.071 1.00 0.00
O
ATOM 195 C GLU 14 46.098 41.883 51.266 1.00 0.00
C
ATOM 196 O GLU 14 44.890 41.890 51.481 1.00 0.00
O
ATOM 197 N CYX 15 46.840 40.795 51.458 1.00 0.00
N
ATOM 198 H CYX 15 47.838 40.836 51.335 1.00 0.00
H
ATOM 199 CA CYX 15 46.244 39.544 51.907 1.00 0.00
C
ATOM 200 HA CYX 15 45.228 39.482 51.515 1.00 0.00
H
ATOM 201 CB CYX 15 47.023 38.358 51.328 1.00 0.00
C
ATOM 202 HB2 CYX 15 47.253 38.567 50.284 1.00 0.00
H
ATOM 203 HB3 CYX 15 47.966 38.245 51.864 1.00 0.00
H
ATOM 204 SG CYX 15 46.122 36.787 51.384 1.00 0.00
S
ATOM 205 C CYX 15 46.148 39.472 53.434 1.00 0.00
C
ATOM 206 O CYX 15 47.085 39.817 54.154 1.00 0.00
O
ATOM 207 N MET 16 45.025 38.968 53.922 1.00 0.00
N
ATOM 208 H MET 16 44.276 38.746 53.273 1.00 0.00
H
ATOM 209 CA MET 16 44.756 38.737 55.333 1.00 0.00
C
ATOM 210 HA MET 16 45.688 38.706 55.899 1.00 0.00
H
ATOM 211 CB MET 16 43.896 39.905 55.841 1.00 0.00
C
ATOM 212 HB2 MET 16 44.456 40.834 55.729 1.00 0.00
H
ATOM 213 HB3 MET 16 42.999 39.970 55.224 1.00 0.00
H
ATOM 214 CG MET 16 43.476 39.773 57.304 1.00 0.00
C
ATOM 215 HG2 MET 16 43.004 38.811 57.444 1.00 0.00
H
ATOM 216 HG3 MET 16 44.365 39.807 57.933 1.00 0.00
H
ATOM 217 SD MET 16 42.305 41.040 57.857 1.00 0.00
S
ATOM 218 CE MET 16 40.764 40.344 57.197 1.00 0.00
C
ATOM 219 HE1 MET 16 40.612 39.343 57.596 1.00 0.00
H
ATOM 220 HE2 MET 16 39.924 40.972 57.491 1.00 0.00
H
ATOM 221 HE3 MET 16 40.816 40.287 56.111 1.00 0.00
H
ATOM 222 C MET 16 44.059 37.379 55.452 1.00 0.00
C
ATOM 223 O MET 16 43.136 37.091 54.692 1.00 0.00
O
ATOM 224 N SER 17 44.487 36.516 56.367 1.00 0.00
N
ATOM 225 H SER 17 45.200 36.775 57.030 1.00 0.00
H
ATOM 226 CA SER 17 43.715 35.308 56.661 1.00 0.00
C
ATOM 227 HA SER 17 43.490 34.798 55.727 1.00 0.00
H
ATOM 228 CB SER 17 44.566 34.346 57.501 1.00 0.00
C
ATOM 229 HB2 SER 17 43.982 33.454 57.737 1.00 0.00
H
ATOM 230 HB3 SER 17 45.430 34.042 56.911 1.00 0.00
H
ATOM 231 OG SER 17 45.027 34.943 58.698 1.00 0.00
O
ATOM 232 HG SER 17 44.303 34.758 59.352 1.00 0.00
H
ATOM 233 C SER 17 42.374 35.675 57.321 1.00 0.00
C
ATOM 234 O SER 17 42.239 36.727 57.932 1.00 0.00
O
ATOM 235 N THR 18 41.336 34.873 57.114 1.00 0.00
N
ATOM 236 H THR 18 41.456 34.081 56.493 1.00 0.00
H
ATOM 237 CA THR 18 40.005 35.057 57.742 1.00 0.00
C
ATOM 238 HA THR 18 40.078 35.802 58.537 1.00 0.00
H
ATOM 239 CB THR 18 38.968 35.526 56.714 1.00 0.00
C
ATOM 240 HB THR 18 37.976 35.503 57.166 1.00 0.00
H
ATOM 241 CG2 THR 18 39.228 36.953 56.254 1.00 0.00
C
ATOM 242 HG21 THR 18 40.203 37.024 55.767 1.00 0.00
H
ATOM 243 HG22 THR 18 38.446 37.270 55.564 1.00 0.00
H
ATOM 244 HG23 THR 18 39.219 37.614 57.121 1.00 0.00
H
ATOM 245 OG1 THR 18 38.971 34.694 55.570 1.00 0.00
O
ATOM 246 HG1 THR 18 38.291 35.007 54.972 1.00 0.00
H
ATOM 247 C THR 18 39.519 33.774 58.420 1.00 0.00
C
ATOM 248 O THR 18 38.335 33.574 58.697 1.00 0.00
O
ATOM 249 N GLY 19 40.442 32.843 58.600 1.00 0.00
N
ATOM 250 H GLY 19 41.396 33.098 58.379 1.00 0.00
H
ATOM 251 CA GLY 19 40.251 31.536 59.185 1.00 0.00
C
ATOM 252 HA2 GLY 19 40.147 31.639 60.265 1.00 0.00
H
ATOM 253 HA3 GLY 19 39.352 31.079 58.781 1.00 0.00
H
ATOM 254 C GLY 19 41.468 30.670 58.863 1.00 0.00
C
ATOM 255 O GLY 19 42.408 31.095 58.193 1.00 0.00
O
ATOM 256 N PHE 20 41.465 29.410 59.279 1.00 0.00
N
ATOM 257 H PHE 20 40.675 29.062 59.797 1.00 0.00
H
ATOM 258 CA PHE 20 42.626 28.544 59.047 1.00 0.00
C
ATOM 259 HA PHE 20 43.512 29.037 59.449 1.00 0.00
H
ATOM 260 CB PHE 20 42.414 27.223 59.792 1.00 0.00
C
ATOM 261 HB2 PHE 20 41.449 26.794 59.507 1.00 0.00
H
ATOM 262 HB3 PHE 20 43.180 26.511 59.475 1.00 0.00
H
ATOM 263 CG PHE 20 42.492 27.365 61.296 1.00 0.00
C
ATOM 264 CD1 PHE 20 43.753 27.446 61.915 1.00 0.00
C
ATOM 265 HD1 PHE 20 44.652 27.412 61.313 1.00 0.00
H
ATOM 266 CE1 PHE 20 43.845 27.601 63.309 1.00 0.00
C
ATOM 267 HE1 PHE 20 44.812 27.691 63.782 1.00 0.00
H
ATOM 268 CZ PHE 20 42.675 27.686 64.084 1.00 0.00
C
ATOM 269 HZ PHE 20 42.746 27.835 65.153 1.00 0.00
H
ATOM 270 CE2 PHE 20 41.414 27.608 63.466 1.00 0.00
C
ATOM 271 HE2 PHE 20 40.516 27.689 64.062 1.00 0.00
H
ATOM 272 CD2 PHE 20 41.321 27.449 62.072 1.00 0.00
C
ATOM 273 HD2 PHE 20 40.351 27.403 61.599 1.00 0.00
H
ATOM 274 C PHE 20 42.918 28.255 57.566 1.00 0.00
C
ATOM 275 O PHE 20 44.075 28.038 57.204 1.00 0.00
O
ATOM 276 N ASP 21 41.891 28.246 56.715 1.00 0.00
N
ATOM 277 H ASP 21 40.967 28.415 57.094 1.00 0.00
H
ATOM 278 CA ASP 21 41.997 27.859 55.303 1.00 0.00
C
ATOM 279 HA ASP 21 43.048 27.737 55.040 1.00 0.00
H
ATOM 280 CB ASP 21 41.309 26.496 55.101 1.00 0.00
C
ATOM 281 HB2 ASP 21 40.252 26.599 55.352 1.00 0.00
H
ATOM 282 HB3 ASP 21 41.375 26.215 54.049 1.00 0.00
H
ATOM 283 CG ASP 21 41.933 25.371 55.938 1.00 0.00
C
ATOM 284 OD1 ASP 21 43.157 25.119 55.806 1.00 0.00
O
ATOM 285 OD2 ASP 21 41.186 24.696 56.691 1.00 0.00
O
ATOM 286 C ASP 21 41.448 28.927 54.334 1.00 0.00
C
ATOM 287 O ASP 21 41.275 28.655 53.149 1.00 0.00
O
ATOM 288 N GLN 22 41.157 30.141 54.811 1.00 0.00
N
ATOM 289 H GLN 22 41.413 30.364 55.765 1.00 0.00
H
ATOM 290 CA GLN 22 40.518 31.193 54.010 1.00 0.00
C
ATOM 291 HA GLN 22 40.500 30.896 52.962 1.00 0.00
H
ATOM 292 CB GLN 22 39.067 31.431 54.468 1.00 0.00
C
ATOM 293 HB2 GLN 22 39.086 31.872 55.467 1.00 0.00
H
ATOM 294 HB3 GLN 22 38.603 32.154 53.795 1.00 0.00
H
ATOM 295 CG GLN 22 38.185 30.174 54.520 1.00 0.00
C
ATOM 296 HG2 GLN 22 38.598 29.474 55.244 1.00 0.00
H
ATOM 297 HG3 GLN 22 37.194 30.464 54.868 1.00 0.00
H
ATOM 298 CD GLN 22 38.018 29.454 53.185 1.00 0.00
C
ATOM 299 OE1 GLN 22 38.381 29.919 52.120 1.00 0.00
O
ATOM 300 NE2 GLN 22 37.384 28.301 53.179 1.00 0.00
N
ATOM 301 HE21 GLN 22 37.433 27.785 52.318 1.00 0.00
H
ATOM 302 HE22 GLN 22 37.176 27.835 54.058 1.00 0.00
H
ATOM 303 C GLN 22 41.296 32.511 54.074 1.00 0.00
C
ATOM 304 O GLN 22 41.925 32.836 55.081 1.00 0.00
O
ATOM 305 N TYR 23 41.226 33.302 53.007 1.00 0.00
N
ATOM 306 H TYR 23 40.657 33.023 52.221 1.00 0.00
H
ATOM 307 CA TYR 23 41.818 34.635 52.962 1.00 0.00
C
ATOM 308 HA TYR 23 42.099 34.934 53.971 1.00 0.00
H
ATOM 309 CB TYR 23 43.097 34.631 52.105 1.00 0.00
C
ATOM 310 HB2 TYR 23 43.618 35.576 52.267 1.00 0.00
H
ATOM 311 HB3 TYR 23 43.772 33.850 52.462 1.00 0.00
H
ATOM 312 CG TYR 23 42.864 34.458 50.612 1.00 0.00
C
ATOM 313 CD1 TYR 23 42.619 35.582 49.796 1.00 0.00
C
ATOM 314 HD1 TYR 23 42.636 36.575 50.221 1.00 0.00
H
ATOM 315 CE1 TYR 23 42.323 35.417 48.428 1.00 0.00
C
ATOM 316 HE1 TYR 23 42.103 36.273 47.807 1.00 0.00
H
ATOM 317 CZ TYR 23 42.291 34.122 47.869 1.00 0.00
C
ATOM 318 OH TYR 23 41.997 33.951 46.553 1.00 0.00
O
ATOM 319 HH TYR 23 42.026 34.803 46.074 1.00 0.00
H
ATOM 320 CE2 TYR 23 42.574 33.000 48.676 1.00 0.00
C
ATOM 321 HE2 TYR 23 42.558 32.015 48.236 1.00 0.00
H
ATOM 322 CD2 TYR 23 42.857 33.169 50.045 1.00 0.00
C
ATOM 323 HD2 TYR 23 43.060 32.307 50.666 1.00 0.00
H
ATOM 324 C TYR 23 40.817 35.681 52.463 1.00 0.00
C
ATOM 325 O TYR 23 39.796 35.383 51.844 1.00 0.00
O
ATOM 326 N LYS 24 41.158 36.944 52.693 1.00 0.00
N
ATOM 327 H LYS 24 41.979 37.095 53.275 1.00 0.00
H
ATOM 328 CA LYS 24 40.516 38.127 52.129 1.00 0.00
C
ATOM 329 HA LYS 24 39.830 37.832 51.333 1.00 0.00
H
ATOM 330 CB LYS 24 39.739 38.813 53.263 1.00 0.00
C
ATOM 331 HB2 LYS 24 38.883 38.186 53.517 1.00 0.00
H
ATOM 332 HB3 LYS 24 40.387 38.862 54.139 1.00 0.00
H
ATOM 333 CG LYS 24 39.245 40.239 52.983 1.00 0.00
C
ATOM 334 HG2 LYS 24 38.955 40.678 53.939 1.00 0.00
H
ATOM 335 HG3 LYS 24 40.050 40.847 52.572 1.00 0.00
H
ATOM 336 CD LYS 24 38.033 40.268 52.047 1.00 0.00
C
ATOM 337 HD2 LYS 24 38.323 39.947 51.045 1.00 0.00
H
ATOM 338 HD3 LYS 24 37.275 39.585 52.436 1.00 0.00
H
ATOM 339 CE LYS 24 37.470 41.693 51.995 1.00 0.00
C
ATOM 340 HE2 LYS 24 37.585 42.152 52.982 1.00 0.00
H
ATOM 341 HE3 LYS 24 38.061 42.281 51.284 1.00 0.00
H
ATOM 342 NZ LYS 24 36.036 41.695 51.619 1.00 0.00
N
ATOM 343 HZ1 LYS 24 35.472 41.193 52.290 1.00 0.00
H
ATOM 344 HZ2 LYS 24 35.661 42.641 51.542 1.00 0.00
H
ATOM 345 HZ3 LYS 24 35.865 41.237 50.731 1.00 0.00
H
ATOM 346 C LYS 24 41.606 39.018 51.542 1.00 0.00
C
ATOM 347 O LYS 24 42.632 39.245 52.178 1.00 0.00
O
ATOM 348 N CYX 25 41.377 39.555 50.351 1.00 0.00
N
ATOM 349 H CYX 25 40.547 39.303 49.839 1.00 0.00
H
ATOM 350 CA CYX 25 42.193 40.650 49.844 1.00 0.00
C
ATOM 351 HA CYX 25 43.178 40.615 50.306 1.00 0.00
H
ATOM 352 CB CYX 25 42.397 40.499 48.336 1.00 0.00
C
ATOM 353 HB2 CYX 25 41.425 40.540 47.841 1.00 0.00
H
ATOM 354 HB3 CYX 25 42.995 41.337 47.981 1.00 0.00
H
ATOM 355 SG CYX 25 43.228 38.966 47.860 1.00 0.00
S
ATOM 356 C CYX 25 41.559 42.006 50.178 1.00 0.00
C
ATOM 357 O CYX 25 40.357 42.210 50.003 1.00 0.00
O
ATOM 358 N ASP 26 42.369 42.955 50.627 1.00 0.00
N
ATOM 359 H ASP 26 43.330 42.705 50.849 1.00 0.00
H
ATOM 360 CA ASP 26 41.975 44.356 50.753 1.00 0.00
C
ATOM 361 HA ASP 26 40.889 44.431 50.831 1.00 0.00
H
ATOM 362 CB ASP 26 42.554 44.911 52.054 1.00 0.00
C
ATOM 363 HB2 ASP 26 42.245 44.247 52.861 1.00 0.00
H
ATOM 364 HB3 ASP 26 43.643 44.908 52.000 1.00 0.00
H
ATOM 365 CG ASP 26 42.070 46.324 52.375 1.00 0.00
C
ATOM 366 OD1 ASP 26 41.589 47.031 51.456 1.00 0.00
O
ATOM 367 OD2 ASP 26 42.182 46.698 53.559 1.00 0.00
O
ATOM 368 C ASP 26 42.426 45.130 49.508 1.00 0.00
C
ATOM 369 O ASP 26 43.616 45.365 49.291 1.00 0.00
O
ATOM 370 N CYX 27 41.470 45.498 48.658 1.00 0.00
N
ATOM 371 H CYX 27 40.517 45.253 48.877 1.00 0.00
H
ATOM 372 CA CYX 27 41.742 46.216 47.414 1.00 0.00
C
ATOM 373 HA CYX 27 42.756 45.975 47.097 1.00 0.00
H
ATOM 374 CB CYX 27 40.800 45.712 46.310 1.00 0.00
C
ATOM 375 HB2 CYX 27 39.797 46.094 46.501 1.00 0.00
H
ATOM 376 HB3 CYX 27 41.136 46.133 45.364 1.00 0.00
H
ATOM 377 SG CYX 27 40.688 43.911 46.116 1.00 0.00
S
ATOM 378 C CYX 27 41.694 47.752 47.572 1.00 0.00
C
ATOM 379 O CYX 27 41.644 48.483 46.583 1.00 0.00
O
ATOM 380 N THR 28 41.694 48.292 48.794 1.00 0.00
N
ATOM 381 H THR 28 41.694 47.681 49.611 1.00 0.00
H
ATOM 382 CA THR 28 41.580 49.742 49.011 1.00 0.00
C
ATOM 383 HA THR 28 40.591 50.053 48.675 1.00 0.00
H
ATOM 384 CB THR 28 41.691 50.085 50.507 1.00 0.00
C
ATOM 385 HB THR 28 42.651 49.737 50.890 1.00 0.00
H
ATOM 386 CG2 THR 28 41.558 51.585 50.752 1.00 0.00
C
ATOM 387 HG21 THR 28 40.599 51.941 50.370 1.00 0.00
H
ATOM 388 HG22 THR 28 41.604 51.786 51.824 1.00 0.00
H
ATOM 389 HG23 THR 28 42.366 52.125 50.263 1.00 0.00
H
ATOM 390 OG1 THR 28 40.654 49.516 51.260 1.00 0.00
O
ATOM 391 HG1 THR 28 40.940 48.610 51.515 1.00 0.00
H
ATOM 392 C THR 28 42.636 50.542 48.231 1.00 0.00
C
ATOM 393 O THR 28 43.841 50.369 48.431 1.00 0.00
O
ATOM 394 N ARG 29 42.180 51.481 47.386 1.00 0.00
N
ATOM 395 H ARG 29 41.178 51.520 47.255 1.00 0.00
H
ATOM 396 CA ARG 29 43.016 52.378 46.555 1.00 0.00
C
ATOM 397 HA ARG 29 42.341 52.945 45.912 1.00 0.00
H
ATOM 398 CB ARG 29 43.774 53.402 47.431 1.00 0.00
C
ATOM 399 HB2 ARG 29 44.332 52.877 48.206 1.00 0.00
H
ATOM 400 HB3 ARG 29 44.494 53.946 46.818 1.00 0.00
H
ATOM 401 CG ARG 29 42.844 54.444 48.066 1.00 0.00
C
ATOM 402 HG2 ARG 29 42.398 55.037 47.266 1.00 0.00
H
ATOM 403 HG3 ARG 29 42.043 53.948 48.612 1.00 0.00
H
ATOM 404 CD ARG 29 43.612 55.387 49.008 1.00 0.00
C
ATOM 405 HD2 ARG 29 44.500 55.758 48.490 1.00 0.00
H
ATOM 406 HD3 ARG 29 42.984 56.248 49.238 1.00 0.00
H
ATOM 407 NE ARG 29 44.018 54.725 50.265 1.00 0.00
N
ATOM 408 HE ARG 29 44.966 54.391 50.330 1.00 0.00
H
ATOM 409 CZ ARG 29 43.255 54.497 51.320 1.00 0.00
C
ATOM 410 NH1 ARG 29 41.994 54.830 51.370 1.00 0.00
N
ATOM 411 HH11 ARG 29 41.562 55.282 50.586 1.00 0.00
H
ATOM 412 HH12 ARG 29 41.443 54.619 52.187 1.00 0.00
H
ATOM 413 NH2 ARG 29 43.767 53.912 52.355 1.00 0.00
N
ATOM 414 HH21 ARG 29 44.755 53.689 52.395 1.00 0.00
H
ATOM 415 HH22 ARG 29 43.202 53.693 53.173 1.00 0.00
H
ATOM 416 C ARG 29 43.942 51.671 45.547 1.00 0.00
C
ATOM 417 O ARG 29 44.854 52.296 45.017 1.00 0.00
O
ATOM 418 N THR 30 43.723 50.402 45.215 1.00 0.00
N
ATOM 419 H THR 30 42.980 49.872 45.660 1.00 0.00
H
ATOM 420 CA THR 30 44.524 49.752 44.159 1.00 0.00
C
ATOM 421 HA THR 30 45.568 50.048 44.259 1.00 0.00
H
ATOM 422 CB THR 30 44.469 48.224 44.279 1.00 0.00
C
ATOM 423 HB THR 30 45.121 47.788 43.526 1.00 0.00
H
ATOM 424 CG2 THR 30 44.908 47.731 45.658 1.00 0.00
C
ATOM 425 HG21 THR 30 44.277 48.139 46.447 1.00 0.00
H
ATOM 426 HG22 THR 30 44.863 46.642 45.702 1.00 0.00
H
ATOM 427 HG23 THR 30 45.936 48.044 45.848 1.00 0.00
H
ATOM 428 OG1 THR 30 43.161 47.776 44.032 1.00 0.00
O
ATOM 429 HG1 THR 30 43.118 46.845 44.262 1.00 0.00
H
ATOM 430 C THR 30 44.080 50.143 42.744 1.00 0.00
C
ATOM 431 O THR 30 44.839 49.982 41.794 1.00 0.00
O
ATOM 432 N GLY 31 42.850 50.639 42.573 1.00 0.00
N
ATOM 433 H GLY 31 42.258 50.733 43.383 1.00 0.00
H
ATOM 434 CA GLY 31 42.234 50.801 41.251 1.00 0.00
C
ATOM 435 HA2 GLY 31 41.420 51.521 41.331 1.00 0.00
H
ATOM 436 HA3 GLY 31 42.969 51.189 40.546 1.00 0.00
H
ATOM 437 C GLY 31 41.652 49.497 40.679 1.00 0.00
C
ATOM 438 O GLY 31 41.224 49.459 39.523 1.00 0.00
O
ATOM 439 N PHE 32 41.630 48.425 41.470 1.00 0.00
N
ATOM 440 H PHE 32 41.994 48.510 42.413 1.00 0.00
H
ATOM 441 CA PHE 32 41.053 47.133 41.119 1.00 0.00
C
ATOM 442 HA PHE 32 40.485 47.218 40.194 1.00 0.00
H
ATOM 443 CB PHE 32 42.165 46.094 40.920 1.00 0.00
C
ATOM 444 HB2 PHE 32 42.762 46.025 41.833 1.00 0.00
H
ATOM 445 HB3 PHE 32 41.693 45.121 40.781 1.00 0.00
H
ATOM 446 CG PHE 32 43.095 46.333 39.750 1.00 0.00
C
ATOM 447 CD1 PHE 32 42.912 45.624 38.550 1.00 0.00
C
ATOM 448 HD1 PHE 32 42.097 44.924 38.455 1.00 0.00
H
ATOM 449 CE1 PHE 32 43.801 45.808 37.478 1.00 0.00
C
ATOM 450 HE1 PHE 32 43.659 45.252 36.561 1.00 0.00
H
ATOM 451 CZ PHE 32 44.878 46.701 37.610 1.00 0.00
C
ATOM 452 HZ PHE 32 45.582 46.826 36.805 1.00 0.00
H
ATOM 453 CE2 PHE 32 45.059 47.417 38.804 1.00 0.00
C
ATOM 454 HE2 PHE 32 45.885 48.107 38.906 1.00 0.00
H
ATOM 455 CD2 PHE 32 44.173 47.225 39.876 1.00 0.00
C
ATOM 456 HD2 PHE 32 44.329 47.753 40.803 1.00 0.00
H
ATOM 457 C PHE 32 40.097 46.650 42.217 1.00 0.00
C
ATOM 458 O PHE 32 40.147 47.092 43.360 1.00 0.00
O
ATOM 459 N TYR 33 39.251 45.681 41.896 1.00 0.00
N
ATOM 460 H TYR 33 39.222 45.365 40.931 1.00 0.00
H
ATOM 461 CA TYR 33 38.365 45.030 42.857 1.00 0.00
C
ATOM 462 HA TYR 33 38.836 45.040 43.841 1.00 0.00
H
ATOM 463 CB TYR 33 37.051 45.830 42.955 1.00 0.00
C
ATOM 464 HB2 TYR 33 36.443 45.421 43.765 1.00 0.00
H
ATOM 465 HB3 TYR 33 37.286 46.856 43.250 1.00 0.00
H
ATOM 466 CG TYR 33 36.225 45.864 41.682 1.00 0.00
C
ATOM 467 CD1 TYR 33 35.178 44.943 41.480 1.00 0.00
C
ATOM 468 HD1 TYR 33 34.938 44.212 42.239 1.00 0.00
H
ATOM 469 CE1 TYR 33 34.432 44.969 40.286 1.00 0.00
C
ATOM 470 HE1 TYR 33 33.630 44.261 40.134 1.00 0.00
H
ATOM 471 CZ TYR 33 34.731 45.924 39.290 1.00 0.00
C
ATOM 472 OH TYR 33 34.013 45.959 38.139 1.00 0.00
O
ATOM 473 HH TYR 33 33.303 45.314 38.138 1.00 0.00
H
ATOM 474 CE2 TYR 33 35.773 46.850 39.497 1.00 0.00
C
ATOM 475 HE2 TYR 33 36.004 47.567 38.724 1.00 0.00
H
ATOM 476 CD2 TYR 33 36.515 46.821 40.692 1.00 0.00
C
ATOM 477 HD2 TYR 33 37.321 47.525 40.845 1.00 0.00
H
ATOM 478 C TYR 33 38.150 43.551 42.485 1.00 0.00
C
ATOM 479 O TYR 33 38.873 42.975 41.668 1.00 0.00
O
ATOM 480 N GLY 34 37.175 42.906 43.122 1.00 0.00
N
ATOM 481 H GLY 34 36.660 43.402 43.832 1.00 0.00
H
ATOM 482 CA GLY 34 36.974 41.465 43.009 1.00 0.00
C
ATOM 483 HA2 GLY 34 35.931 41.234 43.226 1.00 0.00
H
ATOM 484 HA3 GLY 34 37.193 41.133 41.994 1.00 0.00
H
ATOM 485 C GLY 34 37.862 40.690 43.984 1.00 0.00
C
ATOM 486 O GLY 34 38.718 41.264 44.652 1.00 0.00
O
ATOM 487 N GLU 35 37.666 39.376 44.075 1.00 0.00
N
ATOM 488 H GLU 35 36.959 38.951 43.494 1.00 0.00
H
ATOM 489 CA GLU 35 38.254 38.548 45.142 1.00 0.00
C
ATOM 490 HA GLU 35 37.812 38.838 46.097 1.00 0.00
H
ATOM 491 CB GLU 35 37.881 37.083 44.863 1.00 0.00
C
ATOM 492 HB2 GLU 35 36.796 37.008 44.766 1.00 0.00
H
ATOM 493 HB3 GLU 35 38.333 36.786 43.915 1.00 0.00
H
ATOM 494 CG GLU 35 38.345 36.126 45.973 1.00 0.00
C
ATOM 495 HG2 GLU 35 39.428 36.190 46.076 1.00 0.00
H
ATOM 496 HG3 GLU 35 37.890 36.448 46.912 1.00 0.00
H
ATOM 497 CD GLU 35 37.968 34.664 45.700 1.00 0.00
C
ATOM 498 OE1 GLU 35 37.746 34.297 44.527 1.00 0.00
O
ATOM 499 OE2 GLU 35 37.905 33.867 46.669 1.00 0.00
O
ATOM 500 C GLU 35 39.778 38.692 45.297 1.00 0.00
C
ATOM 501 O GLU 35 40.281 38.764 46.412 1.00 0.00
O
ATOM 502 N ASN 36 40.508 38.787 44.184 1.00 0.00
N
ATOM 503 H ASN 36 40.021 38.758 43.303 1.00 0.00
H
ATOM 504 CA ASN 36 41.970 38.888 44.177 1.00 0.00
C
ATOM 505 HA ASN 36 42.343 38.731 45.190 1.00 0.00
H
ATOM 506 CB ASN 36 42.536 37.763 43.295 1.00 0.00
C
ATOM 507 HB2 ASN 36 42.166 37.882 42.278 1.00 0.00
H
ATOM 508 HB3 ASN 36 43.622 37.831 43.270 1.00 0.00
H
ATOM 509 CG ASN 36 42.179 36.385 43.814 1.00 0.00
C
ATOM 510 OD1 ASN 36 42.186 36.116 45.003 1.00 0.00
O
ATOM 511 ND2 ASN 36 41.829 35.468 42.943 1.00 0.00
N
ATOM 512 HD21 ASN 36 41.590 34.563 43.313 1.00 0.00
H
ATOM 513 HD22 ASN 36 41.842 35.661 41.961 1.00 0.00
H
ATOM 514 C ASN 36 42.484 40.277 43.752 1.00 0.00
C
ATOM 515 O ASN 36 43.653 40.424 43.397 1.00 0.00
O
ATOM 516 N CYX 37 41.625 41.299 43.721 1.00 0.00
N
ATOM 517 H CYX 37 40.693 41.159 44.099 1.00 0.00
H
ATOM 518 CA CYX 37 41.948 42.616 43.161 1.00 0.00
C
ATOM 519 HA CYX 37 41.015 43.179 43.148 1.00 0.00
H
ATOM 520 CB CYX 37 42.916 43.393 44.071 1.00 0.00
C
ATOM 521 HB2 CYX 37 43.925 43.019 43.889 1.00 0.00
H
ATOM 522 HB3 CYX 37 42.900 44.441 43.773 1.00 0.00
H
ATOM 523 SG CYX 37 42.609 43.291 45.855 1.00 0.00
S
ATOM 524 C CYX 37 42.421 42.554 41.692 1.00 0.00
C
ATOM 525 O CYX 37 43.372 43.231 41.300 1.00 0.00
O
ATOM 526 N THR 38 41.794 41.718 40.862 1.00 0.00
N
ATOM 527 H THR 38 41.034 41.157 41.217 1.00 0.00
H
ATOM 528 CA THR 38 42.157 41.559 39.442 1.00 0.00
C
ATOM 529 HA THR 38 43.104 42.059 39.248 1.00 0.00
H
ATOM 530 CB THR 38 42.357 40.083 39.072 1.00 0.00
C
ATOM 531 HB THR 38 42.503 40.002 37.993 1.00 0.00
H
ATOM 532 CG2 THR 38 43.587 39.513 39.764 1.00 0.00
C
ATOM 533 HG21 THR 38 43.467 39.551 40.848 1.00 0.00
H
ATOM 534 HG22 THR 38 43.753 38.478 39.460 1.00 0.00
H
ATOM 535 HG23 THR 38 44.461 40.104 39.488 1.00 0.00
H
ATOM 536 OG1 THR 38 41.253 39.294 39.451 1.00 0.00
O
ATOM 537 HG1 THR 38 41.352 38.448 39.003 1.00 0.00
H
ATOM 538 C THR 38 41.167 42.201 38.474 1.00 0.00
C
ATOM 539 O THR 38 41.544 42.463 37.337 1.00 0.00
O
ATOM 540 N THR 39 39.941 42.535 38.880 1.00 0.00
N
ATOM 541 H THR 39 39.646 42.342 39.829 1.00 0.00
H
ATOM 542 CA THR 39 39.012 43.250 37.994 1.00 0.00
C
ATOM 543 HA THR 39 39.111 42.847 36.989 1.00 0.00
H
ATOM 544 CB THR 39 37.551 43.038 38.418 1.00 0.00
C
ATOM 545 HB THR 39 37.354 43.545 39.363 1.00 0.00
H
ATOM 546 CG2 THR 39 36.597 43.561 37.346 1.00 0.00
C
ATOM 547 HG21 THR 39 36.791 43.062 36.393 1.00 0.00
H
ATOM 548 HG22 THR 39 35.560 43.377 37.634 1.00 0.00
H
ATOM 549 HG23 THR 39 36.727 44.636 37.209 1.00 0.00
H
ATOM 550 OG1 THR 39 37.282 41.662 38.567 1.00 0.00
O
ATOM 551 HG1 THR 39 36.352 41.567 38.783 1.00 0.00
H
ATOM 552 C THR 39 39.340 44.748 38.008 1.00 0.00
C
ATOM 553 O THR 39 39.256 45.380 39.061 1.00 0.00
O
ATOM 554 N PRO 40 39.749 45.360 36.890 1.00 0.00
N
ATOM 555 CD PRO 40 39.942 44.757 35.584 1.00 0.00
C
ATOM 556 HD2 PRO 40 39.019 44.297 35.227 1.00 0.00
H
ATOM 557 HD3 PRO 40 40.739 44.017 35.626 1.00 0.00
H
ATOM 558 CG PRO 40 40.356 45.899 34.658 1.00 0.00
C
ATOM 559 HG2 PRO 40 39.478 46.289 34.149 1.00 0.00
H
ATOM 560 HG3 PRO 40 41.098 45.577 33.924 1.00 0.00
H
ATOM 561 CB PRO 40 40.896 46.984 35.587 1.00 0.00
C
ATOM 562 HB2 PRO 40 40.748 47.982 35.167 1.00 0.00
H
ATOM 563 HB3 PRO 40 41.959 46.823 35.764 1.00 0.00
H
ATOM 564 CA PRO 40 40.105 46.772 36.882 1.00 0.00
C
ATOM 565 HA PRO 40 40.745 47.010 37.732 1.00 0.00
H
ATOM 566 C PRO 40 38.869 47.677 36.930 1.00 0.00
C
ATOM 567 O PRO 40 37.863 47.433 36.265 1.00 0.00
O
ATOM 568 N GLU 41 38.964 48.796 37.641 1.00 0.00
N
ATOM 569 H GLU 41 39.798 48.970 38.192 1.00 0.00
H
ATOM 570 CA GLU 41 37.996 49.882 37.473 1.00 0.00
C
ATOM 571 HA GLU 41 36.987 49.482 37.586 1.00 0.00
H
ATOM 572 CB GLU 41 38.223 50.962 38.540 1.00 0.00
C
ATOM 573 HB2 GLU 41 39.281 51.222 38.546 1.00 0.00
H
ATOM 574 HB3 GLU 41 37.649 51.854 38.285 1.00 0.00
H
ATOM 575 CG GLU 41 37.788 50.486 39.931 1.00 0.00
C
ATOM 576 HG2 GLU 41 36.696 50.437 39.947 1.00 0.00
H
ATOM 577 HG3 GLU 41 38.170 49.479 40.096 1.00 0.00
H
ATOM 578 CD GLU 41 38.274 51.392 41.073 1.00 0.00
C
ATOM 579 OE1 GLU 41 38.997 52.383 40.823 1.00 0.00
O
ATOM 580 OE2 GLU 41 37.886 51.109 42.227 1.00 0.00
O
ATOM 581 C GLU 41 38.101 50.508 36.071 1.00 0.00
C
ATOM 582 O GLU 41 39.131 50.418 35.401 1.00 0.00
O
ATOM 583 N PHE 42 37.054 51.197 35.608 1.00 0.00
N
ATOM 584 H PHE 42 36.217 51.261 36.169 1.00 0.00
H
ATOM 585 CA PHE 42 37.050 51.761 34.254 1.00 0.00
C
ATOM 586 HA PHE 42 37.146 50.940 33.542 1.00 0.00
H
ATOM 587 CB PHE 42 35.709 52.462 33.995 1.00 0.00
C
ATOM 588 HB2 PHE 42 34.896 51.742 34.113 1.00 0.00
H
ATOM 589 HB3 PHE 42 35.556 53.241 34.746 1.00 0.00
H
ATOM 590 CG PHE 42 35.618 53.075 32.611 1.00 0.00
C
ATOM 591 CD1 PHE 42 35.513 52.238 31.484 1.00 0.00
C
ATOM 592 HD1 PHE 42 35.467 51.166 31.607 1.00 0.00
H
ATOM 593 CE1 PHE 42 35.463 52.795 30.194 1.00 0.00
C
ATOM 594 HE1 PHE 42 35.384 52.154 29.326 1.00 0.00
H
ATOM 595 CZ PHE 42 35.516 54.189 30.027 1.00 0.00
C
ATOM 596 HZ PHE 42 35.472 54.615 29.034 1.00 0.00
H
ATOM 597 CE2 PHE 42 35.623 55.028 31.151 1.00 0.00
C
ATOM 598 HE2 PHE 42 35.661 56.101 31.021 1.00 0.00
H
ATOM 599 CD2 PHE 42 35.676 54.472 32.442 1.00 0.00
C
ATOM 600 HD2 PHE 42 35.758 55.123 33.301 1.00 0.00
H
ATOM 601 C PHE 42 38.232 52.712 33.994 1.00 0.00
C
ATOM 602 O PHE 42 38.981 52.530 33.036 1.00 0.00
O
ATOM 603 N LEU 43 38.481 53.672 34.888 1.00 0.00
N
ATOM 604 H LEU 43 37.865 53.769 35.680 1.00 0.00
H
ATOM 605 CA LEU 43 39.628 54.576 34.762 1.00 0.00
C
ATOM 606 HA LEU 43 39.555 55.090 33.801 1.00 0.00
H
ATOM 607 CB LEU 43 39.551 55.615 35.895 1.00 0.00
C
ATOM 608 HB2 LEU 43 38.629 56.188 35.785 1.00 0.00
H
ATOM 609 HB3 LEU 43 39.505 55.082 36.846 1.00 0.00
H
ATOM 610 CG LEU 43 40.742 56.589 35.945 1.00 0.00
C
ATOM 611 HG LEU 43 41.676 56.032 35.972 1.00 0.00
H
ATOM 612 CD1 LEU 43 40.766 57.533 34.745 1.00 0.00
C
ATOM 613 HD11 LEU 43 39.837 58.104 34.689 1.00 0.00
H
ATOM 614 HD12 LEU 43 41.597 58.236 34.826 1.00 0.00
H
ATOM 615 HD13 LEU 43 40.889 56.967 33.819 1.00 0.00
H
ATOM 616 CD2 LEU 43 40.676 57.418 37.222 1.00 0.00
C
ATOM 617 HD21 LEU 43 40.756 56.763 38.093 1.00 0.00
H
ATOM 618 HD22 LEU 43 41.487 58.147 37.254 1.00 0.00
H
ATOM 619 HD23 LEU 43 39.728 57.957 37.285 1.00 0.00
H
ATOM 620 C LEU 43 40.968 53.819 34.775 1.00 0.00
C
ATOM 621 O LEU 43 41.878 54.162 34.026 1.00 0.00
O
ATOM 622 N THR 44 41.105 52.770 35.583 1.00 0.00
N
ATOM 623 H THR 44 40.352 52.517 36.207 1.00 0.00
H
ATOM 624 CA THR 44 42.311 51.932 35.591 1.00 0.00
C
ATOM 625 HA THR 44 43.180 52.560 35.779 1.00 0.00
H
ATOM 626 CB THR 44 42.237 50.878 36.701 1.00 0.00
C
ATOM 627 HB THR 44 41.476 50.137 36.458 1.00 0.00
H
ATOM 628 CG2 THR 44 43.574 50.179 36.915 1.00 0.00
C
ATOM 629 HG21 THR 44 44.335 50.907 37.205 1.00 0.00
H
ATOM 630 HG22 THR 44 43.478 49.433 37.705 1.00 0.00
H
ATOM 631 HG23 THR 44 43.899 49.674 36.004 1.00 0.00
H
ATOM 632 OG1 THR 44 41.904 51.508 37.910 1.00 0.00
O
ATOM 633 HG1 THR 44 41.637 50.802 38.527 1.00 0.00
H
ATOM 634 C THR 44 42.507 51.219 34.256 1.00 0.00
C
ATOM 635 O THR 44 43.618 51.179 33.736 1.00 0.00
O
ATOM 636 N ARG 45 41.436 50.703 33.649 1.00 0.00
N
ATOM 637 H ARG 45 40.539 50.765 34.127 1.00 0.00
H
ATOM 638 CA ARG 45 41.493 50.054 32.332 1.00 0.00
C
ATOM 639 HA ARG 45 42.215 49.238 32.383 1.00 0.00
H
ATOM 640 CB ARG 45 40.098 49.489 32.003 1.00 0.00
C
ATOM 641 HB2 ARG 45 39.580 49.219 32.925 1.00 0.00
H
ATOM 642 HB3 ARG 45 39.508 50.253 31.493 1.00 0.00
H
ATOM 643 CG ARG 45 40.192 48.237 31.122 1.00 0.00
C
ATOM 644 HG2 ARG 45 40.810 48.466 30.253 1.00 0.00
H
ATOM 645 HG3 ARG 45 40.674 47.438 31.687 1.00 0.00
H
ATOM 646 CD ARG 45 38.811 47.765 30.638 1.00 0.00
C
ATOM 647 HD2 ARG 45 38.272 48.620 30.222 1.00 0.00
H
ATOM 648 HD3 ARG 45 38.949 47.049 29.825 1.00 0.00
H
ATOM 649 NE ARG 45 38.002 47.152 31.715 1.00 0.00
N
ATOM 650 HE ARG 45 37.380 47.758 32.222 1.00 0.00
H
ATOM 651 CZ ARG 45 37.940 45.867 32.035 1.00 0.00
C
ATOM 652 NH1 ARG 45 38.681 44.972 31.451 1.00 0.00
N
ATOM 653 HH11 ARG 45 39.273 45.227 30.688 1.00 0.00
H
ATOM 654 HH12 ARG 45 38.617 43.995 31.743 1.00 0.00
H
ATOM 655 NH2 ARG 45 37.145 45.467 32.982 1.00 0.00
N
ATOM 656 HH21 ARG 45 36.581 46.109 33.505 1.00 0.00
H
ATOM 657 HH22 ARG 45 36.962 44.471 33.115 1.00 0.00
H
ATOM 658 C ARG 45 41.993 51.019 31.248 1.00 0.00
C
ATOM 659 O ARG 45 42.869 50.664 30.466 1.00 0.00
O
ATOM 660 N ILE 46 41.515 52.263 31.249 1.00 0.00
N
ATOM 661 H ILE 46 40.775 52.489 31.905 1.00 0.00
H
ATOM 662 CA ILE 46 42.021 53.306 30.341 1.00 0.00
C
ATOM 663 HA ILE 46 42.035 52.911 29.325 1.00 0.00
H
ATOM 664 CB ILE 46 41.094 54.545 30.370 1.00 0.00
C
ATOM 665 HB ILE 46 41.123 54.970 31.375 1.00 0.00
H
ATOM 666 CG2 ILE 46 41.589 55.630 29.400 1.00 0.00
C
ATOM 667 HG21 ILE 46 41.638 55.243 28.380 1.00 0.00
H
ATOM 668 HG22 ILE 46 40.914 56.490 29.414 1.00 0.00
H
ATOM 669 HG23 ILE 46 42.583 55.983 29.680 1.00 0.00
H
ATOM 670 CG1 ILE 46 39.618 54.207 30.059 1.00 0.00
C
ATOM 671 HG12 ILE 46 39.206 53.635 30.883 1.00 0.00
H
ATOM 672 HG13 ILE 46 39.041 55.131 30.002 1.00 0.00
H
ATOM 673 CD1 ILE 46 39.389 53.401 28.776 1.00 0.00
C
ATOM 674 HD11 ILE 46 39.912 52.443 28.824 1.00 0.00
H
ATOM 675 HD12 ILE 46 38.322 53.197 28.659 1.00 0.00
H
ATOM 676 HD13 ILE 46 39.732 53.954 27.900 1.00 0.00
H
ATOM 677 C ILE 46 43.478 53.679 30.676 1.00 0.00
C
ATOM 678 O ILE 46 44.322 53.755 29.789 1.00 0.00
O
ATOM 679 N LYS 47 43.831 53.846 31.955 1.00 0.00
N
ATOM 680 H LYS 47 43.111 53.769 32.667 1.00 0.00
H
ATOM 681 CA LYS 47 45.215 54.147 32.366 1.00 0.00
C
ATOM 682 HA LYS 47 45.548 55.058 31.866 1.00 0.00
H
ATOM 683 CB LYS 47 45.275 54.350 33.889 1.00 0.00
C
ATOM 684 HB2 LYS 47 44.656 53.596 34.375 1.00 0.00
H
ATOM 685 HB3 LYS 47 46.304 54.206 34.224 1.00 0.00
H
ATOM 686 CG LYS 47 44.827 55.751 34.326 1.00 0.00
C
ATOM 687 HG2 LYS 47 45.524 56.489 33.926 1.00 0.00
H
ATOM 688 HG3 LYS 47 43.831 55.960 33.935 1.00 0.00
H
ATOM 689 CD LYS 47 44.807 55.835 35.859 1.00 0.00
C
ATOM 690 HD2 LYS 47 44.106 55.091 36.241 1.00 0.00
H
ATOM 691 HD3 LYS 47 45.804 55.611 36.244 1.00 0.00
H
ATOM 692 CE LYS 47 44.386 57.227 36.345 1.00 0.00
C
ATOM 693 HE2 LYS 47 45.153 57.947 36.045 1.00 0.00
H
ATOM 694 HE3 LYS 47 43.451 57.504 35.851 1.00 0.00
H
ATOM 695 NZ LYS 47 44.217 57.244 37.820 1.00 0.00
N
ATOM 696 HZ1 LYS 47 45.098 57.026 38.286 1.00 0.00
H
ATOM 697 HZ2 LYS 47 43.900 58.142 38.173 1.00 0.00
H
ATOM 698 HZ3 LYS 47 43.522 56.580 38.128 1.00 0.00
H
ATOM 699 C LYS 47 46.208 53.054 31.955 1.00 0.00
C
ATOM 700 O LYS 47 47.314 53.370 31.533 1.00 0.00
O
ATOM 701 N LEU 48 45.836 51.780 32.052 1.00 0.00
N
ATOM 702 H LEU 48 44.926 51.575 32.448 1.00 0.00
H
ATOM 703 CA LEU 48 46.678 50.670 31.597 1.00 0.00
C
ATOM 704 HA LEU 48 47.666 50.756 32.048 1.00 0.00
H
ATOM 705 CB LEU 48 46.029 49.336 32.002 1.00 0.00
C
ATOM 706 HB2 LEU 48 44.973 49.373 31.732 1.00 0.00
H
ATOM 707 HB3 LEU 48 46.487 48.533 31.422 1.00 0.00
H
ATOM 708 CG LEU 48 46.152 48.982 33.490 1.00 0.00
C
ATOM 709 HG LEU 48 45.809 49.813 34.104 1.00 0.00
H
ATOM 710 CD1 LEU 48 45.274 47.763 33.765 1.00 0.00
C
ATOM 711 HD11 LEU 48 45.584 46.916 33.147 1.00 0.00
H
ATOM 712 HD12 LEU 48 45.348 47.479 34.809 1.00 0.00
H
ATOM 713 HD13 LEU 48 44.230 47.996 33.550 1.00 0.00
H
ATOM 714 CD2 LEU 48 47.594 48.651 33.882 1.00 0.00
C
ATOM 715 HD21 LEU 48 48.235 49.522 33.748 1.00 0.00
H
ATOM 716 HD22 LEU 48 47.639 48.354 34.932 1.00 0.00
H
ATOM 717 HD23 LEU 48 47.980 47.832 33.271 1.00 0.00
H
ATOM 718 C LEU 48 46.889 50.688 30.077 1.00 0.00
C
ATOM 719 O LEU 48 48.009 50.504 29.617 1.00 0.00
O
ATOM 720 N LEU 49 45.843 50.949 29.290 1.00 0.00
N
ATOM 721 H LEU 49 44.933 51.094 29.711 1.00 0.00
H
ATOM 722 CA LEU 49 45.969 51.037 27.830 1.00 0.00
C
ATOM 723 HA LEU 49 46.443 50.130 27.458 1.00 0.00
H
ATOM 724 CB LEU 49 44.563 51.184 27.219 1.00 0.00
C
ATOM 725 HB2 LEU 49 44.030 51.966 27.763 1.00 0.00
H
ATOM 726 HB3 LEU 49 44.658 51.515 26.183 1.00 0.00
H
ATOM 727 CG LEU 49 43.726 49.894 27.242 1.00 0.00
C
ATOM 728 HG LEU 49 43.744 49.460 28.240 1.00 0.00
H
ATOM 729 CD1 LEU 49 42.276 50.212 26.872 1.00 0.00
C
ATOM 730 HD11 LEU 49 42.224 50.670 25.881 1.00 0.00
H
ATOM 731 HD12 LEU 49 41.676 49.300 26.866 1.00 0.00
H
ATOM 732 HD13 LEU 49 41.847 50.901 27.601 1.00 0.00
H
ATOM 733 CD2 LEU 49 44.263 48.862 26.250 1.00 0.00
C
ATOM 734 HD21 LEU 49 45.273 48.555 26.526 1.00 0.00
H
ATOM 735 HD22 LEU 49 43.627 47.975 26.249 1.00 0.00
H
ATOM 736 HD23 LEU 49 44.287 49.277 25.240 1.00 0.00
H
ATOM 737 C LEU 49 46.856 52.209 27.372 1.00 0.00
C
ATOM 738 O LEU 49 47.495 52.128 26.329 1.00 0.00
O
ATOM 739 N LEU 50 46.906 53.298 28.139 1.00 0.00
N
ATOM 740 H LEU 50 46.321 53.321 28.965 1.00 0.00
H
ATOM 741 CA LEU 50 47.702 54.486 27.813 1.00 0.00
C
ATOM 742 HA LEU 50 47.800 54.577 26.729 1.00 0.00
H
ATOM 743 CB LEU 50 46.967 55.724 28.362 1.00 0.00
C
ATOM 744 HB2 LEU 50 46.431 55.455 29.273 1.00 0.00
H
ATOM 745 HB3 LEU 50 47.708 56.477 28.634 1.00 0.00
H
ATOM 746 CG LEU 50 46.002 56.389 27.366 1.00 0.00
C
ATOM 747 HG LEU 50 46.575 56.747 26.511 1.00 0.00
H
ATOM 748 CD1 LEU 50 44.898 55.467 26.853 1.00 0.00
C
ATOM 749 HD11 LEU 50 44.299 55.086 27.678 1.00 0.00
H
ATOM 750 HD12 LEU 50 44.242 56.009 26.169 1.00 0.00
H
ATOM 751 HD13 LEU 50 45.330 54.625 26.310 1.00 0.00
H
ATOM 752 CD2 LEU 50 45.351 57.589 28.054 1.00 0.00
C
ATOM 753 HD21 LEU 50 46.117 58.307 28.355 1.00 0.00
H
ATOM 754 HD22 LEU 50 44.662 58.090 27.371 1.00 0.00
H
ATOM 755 HD23 LEU 50 44.800 57.268 28.940 1.00 0.00
H
ATOM 756 C LEU 50 49.138 54.434 28.372 1.00 0.00
C
ATOM 757 O LEU 50 49.966 55.273 28.023 1.00 0.00
O
ATOM 758 N LYS 51 49.461 53.512 29.281 1.00 0.00
N
ATOM 759 H LYS 51 48.765 52.826 29.547 1.00 0.00
H
ATOM 760 CA LYS 51 50.782 53.477 29.918 1.00 0.00
C
ATOM 761 HA LYS 51 51.076 54.503 30.122 1.00 0.00
H
ATOM 762 CB LYS 51 50.663 52.753 31.266 1.00 0.00
C
ATOM 763 HB2 LYS 51 49.880 53.231 31.853 1.00 0.00
H
ATOM 764 HB3 LYS 51 50.388 51.709 31.100 1.00 0.00
H
ATOM 765 CG LYS 51 51.973 52.824 32.059 1.00 0.00
C
ATOM 766 HG2 LYS 51 52.755 52.300 31.513 1.00 0.00
H
ATOM 767 HG3 LYS 51 52.260 53.869 32.186 1.00 0.00
H
ATOM 768 CD LYS 51 51.808 52.167 33.430 1.00 0.00
C
ATOM 769 HD2 LYS 51 51.027 52.688 33.984 1.00 0.00
H
ATOM 770 HD3 LYS 51 51.518 51.123 33.299 1.00 0.00
H
ATOM 771 CE LYS 51 53.132 52.244 34.195 1.00 0.00
C
ATOM 772 HE2 LYS 51 53.908 51.735 33.616 1.00 0.00
H
ATOM 773 HE3 LYS 51 53.414 53.297 34.299 1.00 0.00
H
ATOM 774 NZ LYS 51 53.001 51.635 35.536 1.00 0.00
N
ATOM 775 HZ1 LYS 51 52.712 50.671 35.458 1.00 0.00
H
ATOM 776 HZ2 LYS 51 53.897 51.665 36.021 1.00 0.00
H
ATOM 777 HZ3 LYS 51 52.316 52.165 36.071 1.00 0.00
H
ATOM 778 C LYS 51 51.826 52.812 29.004 1.00 0.00
C
ATOM 779 O LYS 51 51.698 51.629 28.689 1.00 0.00
O
ATOM 780 N PRO 52 52.913 53.499 28.629 1.00 0.00
N
ATOM 781 CD PRO 52 53.186 54.908 28.857 1.00 0.00
C
ATOM 782 HD2 PRO 52 53.111 55.161 29.915 1.00 0.00
H
ATOM 783 HD3 PRO 52 52.494 55.513 28.271 1.00 0.00
H
ATOM 784 CG PRO 52 54.616 55.141 28.371 1.00 0.00
C
ATOM 785 HG2 PRO 52 55.304 55.069 29.216 1.00 0.00
H
ATOM 786 HG3 PRO 52 54.726 56.116 27.889 1.00 0.00
H
ATOM 787 CB PRO 52 54.875 53.992 27.395 1.00 0.00
C
ATOM 788 HB2 PRO 52 55.936 53.736 27.340 1.00 0.00
H
ATOM 789 HB3 PRO 52 54.515 54.265 26.400 1.00 0.00
H
ATOM 790 CA PRO 52 54.024 52.848 27.951 1.00 0.00
C
ATOM 791 HA PRO 52 53.653 52.240 27.125 1.00 0.00
H
ATOM 792 C PRO 52 54.822 51.952 28.913 1.00 0.00
C
ATOM 793 O PRO 52 54.949 52.237 30.105 1.00 0.00
O
ATOM 794 N THR 53 55.404 50.872 28.401 1.00 0.00
N
ATOM 795 H THR 53 55.290 50.652 27.424 1.00 0.00
H
ATOM 796 CA THR 53 56.257 49.989 29.209 1.00 0.00
C
ATOM 797 HA THR 53 55.698 49.711 30.100 1.00 0.00
H
ATOM 798 CB THR 53 56.620 48.701 28.450 1.00 0.00
C
ATOM 799 HB THR 53 57.220 48.064 29.099 1.00 0.00
H
ATOM 800 CG2 THR 53 55.393 47.909 28.013 1.00 0.00
C
ATOM 801 HG21 THR 53 54.769 48.494 27.337 1.00 0.00
H
ATOM 802 HG22 THR 53 55.694 46.990 27.506 1.00 0.00
H
ATOM 803 HG23 THR 53 54.799 47.642 28.889 1.00 0.00
H
ATOM 804 OG1 THR 53 57.388 49.018 27.316 1.00 0.00
O
ATOM 805 HG1 THR 53 57.538 48.187 26.815 1.00 0.00
H
ATOM 806 C THR 53 57.564 50.682 29.619 1.00 0.00
C
ATOM 807 O THR 53 58.037 51.603 28.945 1.00 0.00
O
ATOM 808 N PRO 54 58.235 50.204 30.677 1.00 0.00
N
ATOM 809 CD PRO 54 57.740 49.275 31.679 1.00 0.00
C
ATOM 810 HD2 PRO 54 57.793 48.252 31.304 1.00 0.00
H
ATOM 811 HD3 PRO 54 56.722 49.517 31.986 1.00 0.00
H
ATOM 812 CG PRO 54 58.686 49.436 32.866 1.00 0.00
C
ATOM 813 HG2 PRO 54 58.779 48.512 33.433 1.00 0.00
H
ATOM 814 HG3 PRO 54 58.344 50.245 33.517 1.00 0.00
H
ATOM 815 CB PRO 54 60.004 49.822 32.206 1.00 0.00
C
ATOM 816 HB2 PRO 54 60.510 48.917 31.859 1.00 0.00
H
ATOM 817 HB3 PRO 54 60.661 50.372 32.879 1.00 0.00
H
ATOM 818 CA PRO 54 59.568 50.687 31.023 1.00 0.00
C
ATOM 819 HA PRO 54 59.495 51.728 31.339 1.00 0.00
H
ATOM 820 C PRO 54 60.587 50.572 29.883 1.00 0.00
C
ATOM 821 O PRO 54 61.408 51.463 29.691 1.00 0.00
O
ATOM 822 N ASN 55 60.536 49.503 29.087 1.00 0.00
N
ATOM 823 H ASN 55 59.865 48.776 29.286 1.00 0.00
H
ATOM 824 CA ASN 55 61.431 49.354 27.938 1.00 0.00
C
ATOM 825 HA ASN 55 62.457 49.533 28.263 1.00 0.00
H
ATOM 826 CB ASN 55 61.331 47.917 27.403 1.00 0.00
C
ATOM 827 HB2 ASN 55 60.285 47.655 27.246 1.00 0.00
H
ATOM 828 HB3 ASN 55 61.842 47.853 26.442 1.00 0.00
H
ATOM 829 CG ASN 55 61.973 46.903 28.332 1.00 0.00
C
ATOM 830 OD1 ASN 55 62.751 47.241 29.217 1.00 0.00
O
ATOM 831 ND2 ASN 55 61.690 45.639 28.141 1.00 0.00
N
ATOM 832 HD21 ASN 55 62.048 44.970 28.801 1.00 0.00
H
ATOM 833 HD22 ASN 55 61.010 45.365 27.439 1.00 0.00
H
ATOM 834 C ASN 55 61.153 50.388 26.830 1.00 0.00
C
ATOM 835 O ASN 55 62.092 50.895 26.222 1.00 0.00
O
ATOM 836 N THR 56 59.896 50.768 26.593 1.00 0.00
N
ATOM 837 H THR 56 59.131 50.323 27.089 1.00 0.00
H
ATOM 838 CA THR 56 59.580 51.844 25.642 1.00 0.00
C
ATOM 839 HA THR 56 60.075 51.643 24.692 1.00 0.00
H
ATOM 840 CB THR 56 58.067 51.907 25.389 1.00 0.00
C
ATOM 841 HB THR 56 57.546 52.016 26.341 1.00 0.00
H
ATOM 842 CG2 THR 56 57.661 53.055 24.469 1.00 0.00
C
ATOM 843 HG21 THR 56 58.176 52.964 23.510 1.00 0.00
H
ATOM 844 HG22 THR 56 56.583 53.045 24.298 1.00 0.00
H
ATOM 845 HG23 THR 56 57.920 54.019 24.911 1.00 0.00
H
ATOM 846 OG1 THR 56 57.644 50.724 24.752 1.00 0.00
O
ATOM 847 HG1 THR 56 56.694 50.785 24.634 1.00 0.00
H
ATOM 848 C THR 56 60.071 53.201 26.148 1.00 0.00
C
ATOM 849 O THR 56 60.684 53.964 25.408 1.00 0.00
O
ATOM 850 N VAL 57 59.845 53.522 27.423 1.00 0.00
N
ATOM 851 H VAL 57 59.328 52.874 28.009 1.00 0.00
H
ATOM 852 CA VAL 57 60.335 54.786 27.998 1.00 0.00
C
ATOM 853 HA VAL 57 59.983 55.615 27.383 1.00 0.00
H
ATOM 854 CB VAL 57 59.794 54.976 29.427 1.00 0.00
C
ATOM 855 HB VAL 57 60.102 54.129 30.040 1.00 0.00
H
ATOM 856 CG1 VAL 57 60.321 56.261 30.070 1.00 0.00
C
ATOM 857 HG11 VAL 57 60.070 57.127 29.452 1.00 0.00
H
ATOM 858 HG12 VAL 57 59.893 56.396 31.065 1.00 0.00
H
ATOM 859 HG13 VAL 57 61.403 56.213 30.178 1.00 0.00
H
ATOM 860 CG2 VAL 57 58.265 55.057 29.429 1.00 0.00
C
ATOM 861 HG21 VAL 57 57.830 54.137 29.039 1.00 0.00
H
ATOM 862 HG22 VAL 57 57.896 55.193 30.448 1.00 0.00
H
ATOM 863 HG23 VAL 57 57.927 55.891 28.812 1.00 0.00
H
ATOM 864 C VAL 57 61.867 54.841 27.989 1.00 0.00
C
ATOM 865 O VAL 57 62.447 55.865 27.634 1.00 0.00
O
ATOM 866 N HIE 58 62.537 53.733 28.315 1.00 0.00
N
ATOM 867 H HIE 58 62.015 52.924 28.636 1.00 0.00
H
ATOM 868 CA HIE 58 63.991 53.622 28.194 1.00 0.00
C
ATOM 869 HA HIE 58 64.465 54.380 28.820 1.00 0.00
H
ATOM 870 CB HIE 58 64.449 52.236 28.673 1.00 0.00
C
ATOM 871 HB2 HIE 58 64.134 52.098 29.710 1.00 0.00
H
ATOM 872 HB3 HIE 58 63.964 51.460 28.078 1.00 0.00
H
ATOM 873 CG HIE 58 65.947 52.041 28.609 1.00 0.00
C
ATOM 874 ND1 HIE 58 66.831 52.428 29.602 1.00 0.00
N
ATOM 875 CE1 HIE 58 68.061 52.195 29.117 1.00 0.00
C
ATOM 876 HE1 HIE 58 68.983 52.440 29.634 1.00 0.00
H
ATOM 877 NE2 HIE 58 67.985 51.644 27.892 1.00 0.00
N
ATOM 878 HE2 HIE 58 68.781 51.408 27.311 1.00 0.00
H
ATOM 879 CD2 HIE 58 66.653 51.548 27.547 1.00 0.00
C
ATOM 880 HD2 HIE 58 66.239 51.211 26.606 1.00 0.00
H
ATOM 881 C HIE 58 64.464 53.885 26.764 1.00 0.00
C
ATOM 882 O HIE 58 65.368 54.687 26.581 1.00 0.00
O
ATOM 883 N TYR 59 63.829 53.291 25.750 1.00 0.00
N
ATOM 884 H TYR 59 63.070 52.648 25.946 1.00 0.00
H
ATOM 885 CA TYR 59 64.172 53.568 24.351 1.00 0.00
C
ATOM 886 HA TYR 59 65.211 53.285 24.174 1.00 0.00
H
ATOM 887 CB TYR 59 63.273 52.721 23.432 1.00 0.00
C
ATOM 888 HB2 TYR 59 63.392 51.665 23.685 1.00 0.00
H
ATOM 889 HB3 TYR 59 62.225 52.968 23.613 1.00 0.00
H
ATOM 890 CG TYR 59 63.559 52.914 21.955 1.00 0.00
C
ATOM 891 CD1 TYR 59 64.426 52.028 21.288 1.00 0.00
C
ATOM 892 HD1 TYR 59 64.860 51.193 21.821 1.00 0.00
H
ATOM 893 CE1 TYR 59 64.757 52.245 19.937 1.00 0.00
C
ATOM 894 HE1 TYR 59 65.431 51.569 19.433 1.00 0.00
H
ATOM 895 CZ TYR 59 64.232 53.367 19.260 1.00 0.00
C
ATOM 896 OH TYR 59 64.537 53.586 17.954 1.00 0.00
O
ATOM 897 HH TYR 59 65.243 53.005 17.661 1.00 0.00
H
ATOM 898 CE2 TYR 59 63.344 54.240 19.919 1.00 0.00
C
ATOM 899 HE2 TYR 59 62.959 55.101 19.396 1.00 0.00
H
ATOM 900 CD2 TYR 59 63.000 54.007 21.262 1.00 0.00
C
ATOM 901 HD2 TYR 59 62.343 54.695 21.774 1.00 0.00
H
ATOM 902 C TYR 59 64.044 55.064 24.015 1.00 0.00
C
ATOM 903 O TYR 59 64.938 55.684 23.459 1.00 0.00
O
ATOM 904 N ILE 60 62.948 55.713 24.396 1.00 0.00
N
ATOM 905 H ILE 60 62.208 55.200 24.863 1.00 0.00
H
ATOM 906 CA ILE 60 62.789 57.144 24.100 1.00 0.00
C
ATOM 907 HA ILE 60 62.895 57.290 23.026 1.00 0.00
H
ATOM 908 CB ILE 60 61.378 57.603 24.524 1.00 0.00
C
ATOM 909 HB ILE 60 61.245 57.358 25.579 1.00 0.00
H
ATOM 910 CG2 ILE 60 61.225 59.122 24.354 1.00 0.00
C
ATOM 911 HG21 ILE 60 61.398 59.410 23.315 1.00 0.00
H
ATOM 912 HG22 ILE 60 60.239 59.465 24.666 1.00 0.00
H
ATOM 913 HG23 ILE 60 61.945 59.638 24.977 1.00 0.00
H
ATOM 914 CG1 ILE 60 60.288 56.886 23.700 1.00 0.00
C
ATOM 915 HG12 ILE 60 60.301 57.260 22.676 1.00 0.00
H
ATOM 916 HG13 ILE 60 60.499 55.820 23.659 1.00 0.00
H
ATOM 917 CD1 ILE 60 58.882 57.051 24.290 1.00 0.00
C
ATOM 918 HD11 ILE 60 58.567 58.096 24.270 1.00 0.00
H
ATOM 919 HD12 ILE 60 58.166 56.473 23.704 1.00 0.00
H
ATOM 920 HD13 ILE 60 58.859 56.694 25.322 1.00 0.00
H
ATOM 921 C ILE 60 63.890 57.991 24.771 1.00 0.00
C
ATOM 922 O ILE 60 64.415 58.928 24.172 1.00 0.00
O
ATOM 923 N LEU 61 64.260 57.672 26.010 1.00 0.00
N
ATOM 924 H LEU 61 63.808 56.881 26.458 1.00 0.00
H
ATOM 925 CA LEU 61 65.306 58.390 26.743 1.00 0.00
C
ATOM 926 HA LEU 61 65.150 59.462 26.622 1.00 0.00
H
ATOM 927 CB LEU 61 65.187 58.024 28.231 1.00 0.00
C
ATOM 928 HB2 LEU 61 65.119 56.938 28.312 1.00 0.00
H
ATOM 929 HB3 LEU 61 66.092 58.339 28.745 1.00 0.00
H
ATOM 930 CG LEU 61 63.982 58.670 28.935 1.00 0.00
C
ATOM 931 HG LEU 61 63.094 58.586 28.311 1.00 0.00
H
ATOM 932 CD1 LEU 61 63.716 57.967 30.263 1.00 0.00
C
ATOM 933 HD11 LEU 61 64.574 58.083 30.921 1.00 0.00
H
ATOM 934 HD12 LEU 61 62.837 58.390 30.751 1.00 0.00
H
ATOM 935 HD13 LEU 61 63.550 56.903 30.091 1.00 0.00
H
ATOM 936 CD2 LEU 61 64.248 60.145 29.242 1.00 0.00
C
ATOM 937 HD21 LEU 61 64.418 60.699 28.320 1.00 0.00
H
ATOM 938 HD22 LEU 61 63.393 60.587 29.756 1.00 0.00
H
ATOM 939 HD23 LEU 61 65.132 60.251 29.875 1.00 0.00
H
ATOM 940 C LEU 61 66.738 58.107 26.242 1.00 0.00
C
ATOM 941 O LEU 61 67.639 58.903 26.514 1.00 0.00
O
ATOM 942 N THR 62 66.974 57.002 25.530 1.00 0.00
N
ATOM 943 H THR 62 66.216 56.342 25.382 1.00 0.00
H
ATOM 944 CA THR 62 68.296 56.626 24.993 1.00 0.00
C
ATOM 945 HA THR 62 69.051 57.279 25.426 1.00 0.00
H
ATOM 946 CB THR 62 68.683 55.196 25.393 1.00 0.00
C
ATOM 947 HB THR 62 69.669 54.969 24.988 1.00 0.00
H
ATOM 948 CG2 THR 62 68.750 55.048 26.912 1.00 0.00
C
ATOM 949 HG21 THR 62 67.774 55.215 27.370 1.00 0.00
H
ATOM 950 HG22 THR 62 69.107 54.056 27.182 1.00 0.00
H
ATOM 951 HG23 THR 62 69.445 55.782 27.315 1.00 0.00
H
ATOM 952 OG1 THR 62 67.775 54.244 24.898 1.00 0.00
O
ATOM 953 HG1 THR 62 67.934 53.423 25.357 1.00 0.00
H
ATOM 954 C THR 62 68.425 56.822 23.477 1.00 0.00
C
ATOM 955 O THR 62 69.488 56.573 22.905 1.00 0.00
O
ATOM 956 N HIE 63 67.404 57.374 22.823 1.00 0.00
N
ATOM 957 H HIE 63 66.542 57.515 23.336 1.00 0.00
H
ATOM 958 CA HIE 63 67.420 57.742 21.404 1.00 0.00
C
ATOM 959 HA HIE 63 68.436 57.654 21.021 1.00 0.00
H
ATOM 960 CB HIE 63 66.531 56.770 20.605 1.00 0.00
C
ATOM 961 HB2 HIE 63 65.517 56.787 21.013 1.00 0.00
H
ATOM 962 HB3 HIE 63 66.462 57.099 19.567 1.00 0.00
H
ATOM 963 CG HIE 63 67.040 55.345 20.612 1.00 0.00
C
ATOM 964 ND1 HIE 63 66.949 54.477 21.678 1.00 0.00
N
ATOM 965 CE1 HIE 63 67.588 53.362 21.331 1.00 0.00
C
ATOM 966 HE1 HIE 63 67.695 52.503 21.977 1.00 0.00
H
ATOM 967 NE2 HIE 63 68.064 53.475 20.080 1.00 0.00
N
ATOM 968 HE2 HIE 63 68.602 52.770 19.600 1.00 0.00
H
ATOM 969 CD2 HIE 63 67.733 54.729 19.609 1.00 0.00
C
ATOM 970 HD2 HIE 63 67.995 55.159 18.655 1.00 0.00
H
ATOM 971 C HIE 63 67.009 59.208 21.223 1.00 0.00
C
ATOM 972 O HIE 63 66.833 59.946 22.185 1.00 0.00
O
ATOM 973 N PHE 64 66.899 59.680 19.981 1.00 0.00
N
ATOM 974 H PHE 64 67.030 59.037 19.217 1.00 0.00
H
ATOM 975 CA PHE 64 66.464 61.051 19.679 1.00 0.00
C
ATOM 976 HA PHE 64 66.574 61.176 18.602 1.00 0.00
H
ATOM 977 CB PHE 64 64.965 61.243 19.985 1.00 0.00
C
ATOM 978 HB2 PHE 64 64.834 61.391 21.060 1.00 0.00
H
ATOM 979 HB3 PHE 64 64.620 62.161 19.503 1.00 0.00
H
ATOM 980 CG PHE 64 64.079 60.100 19.537 1.00 0.00
C
ATOM 981 CD1 PHE 64 63.544 59.211 20.489 1.00 0.00
C
ATOM 982 HD1 PHE 64 63.757 59.350 21.541 1.00 0.00
H
ATOM 983 CE1 PHE 64 62.735 58.139 20.073 1.00 0.00
C
ATOM 984 HE1 PHE 64 62.322 57.460 20.803 1.00 0.00
H
ATOM 985 CZ PHE 64 62.464 57.952 18.706 1.00 0.00
C
ATOM 986 HZ PHE 64 61.835 57.134 18.385 1.00 0.00
H
ATOM 987 CE2 PHE 64 63.006 58.833 17.754 1.00 0.00
C
ATOM 988 HE2 PHE 64 62.792 58.691 16.703 1.00 0.00
H
ATOM 989 CD2 PHE 64 63.813 59.907 18.168 1.00 0.00
C
ATOM 990 HD2 PHE 64 64.220 60.585 17.432 1.00 0.00
H
ATOM 991 C PHE 64 67.350 62.141 20.311 1.00 0.00
C
ATOM 992 O PHE 64 66.864 63.169 20.782 1.00 0.00
O
ATOM 993 N LYS 65 68.676 61.955 20.306 1.00 0.00
N
ATOM 994 H LYS 65 69.040 61.090 19.931 1.00 0.00
H
ATOM 995 CA LYS 65 69.621 62.893 20.939 1.00 0.00
C
ATOM 996 HA LYS 65 69.438 62.886 22.015 1.00 0.00
H
ATOM 997 CB LYS 65 71.055 62.401 20.686 1.00 0.00
C
ATOM 998 HB2 LYS 65 71.094 61.319 20.818 1.00 0.00
H
ATOM 999 HB3 LYS 65 71.343 62.635 19.659 1.00 0.00
H
ATOM 1000 CG LYS 65 72.054 63.036 21.664 1.00 0.00
C
ATOM 1001 HG2 LYS 65 71.950 64.120 21.654 1.00 0.00
H
ATOM 1002 HG3 LYS 65 71.838 62.679 22.669 1.00 0.00
H
ATOM 1003 CD LYS 65 73.494 62.673 21.284 1.00 0.00
C
ATOM 1004 HD2 LYS 65 73.581 61.591 21.163 1.00 0.00
H
ATOM 1005 HD3 LYS 65 73.734 63.157 20.337 1.00 0.00
H
ATOM 1006 CE LYS 65 74.477 63.140 22.360 1.00 0.00
C
ATOM 1007 HE2 LYS 65 74.277 64.188 22.598 1.00 0.00
H
ATOM 1008 HE3 LYS 65 74.313 62.543 23.263 1.00 0.00
H
ATOM 1009 NZ LYS 65 75.876 62.987 21.898 1.00 0.00
N
ATOM 1010 HZ1 LYS 65 76.045 63.504 21.040 1.00 0.00
H
ATOM 1011 HZ2 LYS 65 76.533 63.292 22.602 1.00 0.00
H
ATOM 1012 HZ3 LYS 65 76.069 62.006 21.688 1.00 0.00
H
ATOM 1013 C LYS 65 69.447 64.343 20.462 1.00 0.00
C
ATOM 1014 O LYS 65 69.569 65.269 21.252 1.00 0.00
O
ATOM 1015 N GLY 66 69.072 64.554 19.200 1.00 0.00
N
ATOM 1016 H GLY 66 68.992 63.757 18.591 1.00 0.00
H
ATOM 1017 CA GLY 66 68.732 65.886 18.689 1.00 0.00
C
ATOM 1018 HA2 GLY 66 69.611 66.529 18.734 1.00 0.00
H
ATOM 1019 HA3 GLY 66 68.431 65.789 17.645 1.00 0.00
H
ATOM 1020 C GLY 66 67.581 66.568 19.446 1.00 0.00
C
ATOM 1021 O GLY 66 67.679 67.735 19.814 1.00 0.00
O
ATOM 1022 N VAL 67 66.515 65.832 19.768 1.00 0.00
N
ATOM 1023 H VAL 67 66.516 64.847 19.543 1.00 0.00
H
ATOM 1024 CA VAL 67 65.413 66.345 20.599 1.00 0.00
C
ATOM 1025 HA VAL 67 65.084 67.302 20.195 1.00 0.00
H
ATOM 1026 CB VAL 67 64.212 65.376 20.586 1.00 0.00
C
ATOM 1027 HB VAL 67 64.527 64.401 20.957 1.00 0.00
H
ATOM 1028 CG1 VAL 67 63.065 65.874 21.471 1.00 0.00
C
ATOM 1029 HG11 VAL 67 62.747 66.871 21.157 1.00 0.00
H
ATOM 1030 HG12 VAL 67 62.213 65.193 21.407 1.00 0.00
H
ATOM 1031 HG13 VAL 67 63.376 65.917 22.517 1.00 0.00
H
ATOM 1032 CG2 VAL 67 63.670 65.200 19.162 1.00 0.00
C
ATOM 1033 HG21 VAL 67 64.429 64.764 18.511 1.00 0.00
H
ATOM 1034 HG22 VAL 67 62.808 64.529 19.164 1.00 0.00
H
ATOM 1035 HG23 VAL 67 63.367 66.164 18.749 1.00 0.00
H
ATOM 1036 C VAL 67 65.881 66.600 22.035 1.00 0.00
C
ATOM 1037 O VAL 67 65.613 67.659 22.600 1.00 0.00
O
ATOM 1038 N TRP 68 66.628 65.677 22.640 1.00 0.00
N
ATOM 1039 H TRP 68 66.816 64.798 22.171 1.00 0.00
H
ATOM 1040 CA TRP 68 67.111 65.883 24.008 1.00 0.00
C
ATOM 1041 HA TRP 68 66.259 66.153 24.628 1.00 0.00
H
ATOM 1042 CB TRP 68 67.687 64.584 24.566 1.00 0.00
C
ATOM 1043 HB2 TRP 68 68.496 64.235 23.920 1.00 0.00
H
ATOM 1044 HB3 TRP 68 68.117 64.778 25.552 1.00 0.00
H
ATOM 1045 CG TRP 68 66.658 63.516 24.716 1.00 0.00
C
ATOM 1046 CD1 TRP 68 66.617 62.352 24.036 1.00 0.00
C
ATOM 1047 HD1 TRP 68 67.339 62.038 23.295 1.00 0.00
H
ATOM 1048 NE1 TRP 68 65.517 61.618 24.431 1.00 0.00
N
ATOM 1049 HE1 TRP 68 65.303 60.689 24.060 1.00 0.00
H
ATOM 1050 CE2 TRP 68 64.776 62.297 25.373 1.00 0.00
C
ATOM 1051 CZ2 TRP 68 63.599 61.995 26.067 1.00 0.00
C
ATOM 1052 HZ2 TRP 68 63.116 61.052 25.904 1.00 0.00
H
ATOM 1053 CH2 TRP 68 63.078 62.920 26.985 1.00 0.00
C
ATOM 1054 HH2 TRP 68 62.173 62.691 27.529 1.00 0.00
H
ATOM 1055 CZ3 TRP 68 63.748 64.136 27.203 1.00 0.00
C
ATOM 1056 HZ3 TRP 68 63.357 64.838 27.924 1.00 0.00
H
ATOM 1057 CE3 TRP 68 64.935 64.433 26.505 1.00 0.00
C
ATOM 1058 HE3 TRP 68 65.454 65.359 26.695 1.00 0.00
H
ATOM 1059 CD2 TRP 68 65.481 63.518 25.576 1.00 0.00
C
ATOM 1060 C TRP 68 68.118 67.027 24.139 1.00 0.00
C
ATOM 1061 O TRP 68 68.106 67.731 25.142 1.00 0.00
O
ATOM 1062 N ASN 69 68.930 67.306 23.122 1.00 0.00
N
ATOM 1063 H ASN 69 68.959 66.672 22.331 1.00 0.00
H
ATOM 1064 CA ASN 69 69.780 68.495 23.118 1.00 0.00
C
ATOM 1065 HA ASN 69 70.437 68.468 23.990 1.00 0.00
H
ATOM 1066 CB ASN 69 70.634 68.505 21.840 1.00 0.00
C
ATOM 1067 HB2 ASN 69 69.993 68.330 20.976 1.00 0.00
H
ATOM 1068 HB3 ASN 69 71.093 69.486 21.725 1.00 0.00
H
ATOM 1069 CG ASN 69 71.757 67.486 21.849 1.00 0.00
C
ATOM 1070 OD1 ASN 69 72.236 67.044 22.880 1.00 0.00
O
ATOM 1071 ND2 ASN 69 72.268 67.137 20.692 1.00 0.00
N
ATOM 1072 HD21 ASN 69 73.026 66.481 20.708 1.00 0.00
H
ATOM 1073 HD22 ASN 69 71.912 67.533 19.842 1.00 0.00
H
ATOM 1074 C ASN 69 68.959 69.794 23.213 1.00 0.00
C
ATOM 1075 O ASN 69 69.363 70.730 23.897 1.00 0.00
O
ATOM 1076 N ILE 70 67.792 69.866 22.572 1.00 0.00
N
ATOM 1077 H ILE 70 67.491 69.085 22.002 1.00 0.00
H
ATOM 1078 CA ILE 70 66.901 71.021 22.732 1.00 0.00
C
ATOM 1079 HA ILE 70 67.488 71.937 22.651 1.00 0.00
H
ATOM 1080 CB ILE 70 65.830 71.049 21.618 1.00 0.00
C
ATOM 1081 HB ILE 70 65.268 70.115 21.653 1.00 0.00
H
ATOM 1082 CG2 ILE 70 64.848 72.215 21.835 1.00 0.00
C
ATOM 1083 HG21 ILE 70 65.388 73.166 21.844 1.00 0.00
H
ATOM 1084 HG22 ILE 70 64.099 72.249 21.043 1.00 0.00
H
ATOM 1085 HG23 ILE 70 64.319 72.113 22.784 1.00 0.00
H
ATOM 1086 CG1 ILE 70 66.496 71.178 20.228 1.00 0.00
C
ATOM 1087 HG12 ILE 70 66.830 72.205 20.076 1.00 0.00
H
ATOM 1088 HG13 ILE 70 67.376 70.538 20.179 1.00 0.00
H
ATOM 1089 CD1 ILE 70 65.580 70.758 19.073 1.00 0.00
C
ATOM 1090 HD11 ILE 70 64.698 71.398 19.017 1.00 0.00
H
ATOM 1091 HD12 ILE 70 66.123 70.837 18.128 1.00 0.00
H
ATOM 1092 HD13 ILE 70 65.262 69.721 19.201 1.00 0.00
H
ATOM 1093 C ILE 70 66.285 71.010 24.140 1.00 0.00
C
ATOM 1094 O ILE 70 66.397 71.986 24.870 1.00 0.00
O
ATOM 1095 N VAL 71 65.697 69.895 24.581 1.00 0.00
N
ATOM 1096 H VAL 71 65.655 69.094 23.957 1.00 0.00
H
ATOM 1097 CA VAL 71 65.062 69.808 25.911 1.00 0.00
C
ATOM 1098 HA VAL 71 64.253 70.538 25.959 1.00 0.00
H
ATOM 1099 CB VAL 71 64.461 68.406 26.126 1.00 0.00
C
ATOM 1100 HB VAL 71 65.223 67.659 25.913 1.00 0.00
H
ATOM 1101 CG1 VAL 71 63.968 68.179 27.560 1.00 0.00
C
ATOM 1102 HG11 VAL 71 63.234 68.937 27.835 1.00 0.00
H
ATOM 1103 HG12 VAL 71 63.511 67.194 27.644 1.00 0.00
H
ATOM 1104 HG13 VAL 71 64.797 68.220 28.269 1.00 0.00
H
ATOM 1105 CG2 VAL 71 63.274 68.179 25.183 1.00 0.00
C
ATOM 1106 HG21 VAL 71 63.589 68.262 24.142 1.00 0.00
H
ATOM 1107 HG22 VAL 71 62.857 67.180 25.329 1.00 0.00
H
ATOM 1108 HG23 VAL 71 62.493 68.919 25.368 1.00 0.00
H
ATOM 1109 C VAL 71 66.029 70.153 27.051 1.00 0.00
--
Dra. Alicia Merlino
Profesora Adjunta del Laboratorio de Qca. Teórica y Computacional
Instituto de Química Biológica
Facultad de Ciencias, Universidad de la República
Iguá 4225, 11400 Montevideo, Uruguay
Tel: (+598) 2525 2186
Fax: (+598) 2525 0749
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Received on Wed Feb 22 2017 - 11:30:03 PST
