USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ -173:sc= 2.47 (180deg=1.13) USER MOD Set 1.2: A 78 GLN : amide:sc= 0.766 K(o=3.2,f=-9.7!) USER MOD Set 2.1: A 6 THR OG1 : rot 132:sc= 1.46 USER MOD Set 2.2: A 8 TYR OH : rot -141:sc= 2.23 USER MOD Set 2.3: A 44 GLN : amide:sc= 3.07 K(o=8.9,f=-6.9!) USER MOD Set 2.4: A 82 LYS NZ :NH3+ 168:sc= 2.14 (180deg=1.11) USER MOD Set 3.1: A 5 ASN : amide:sc= 0.879 K(o=2.2,f=-2.8) USER MOD Set 3.2: A 43 TYR OH : rot 13:sc= 1.3 USER MOD Single : A 9 THR OG1 : rot -8:sc= 0.984 USER MOD Single : A 16 SER OG : rot 107:sc= 1.26 USER MOD Single : A 53 MET CE :methyl 165:sc=-0.00962 (180deg=-0.253) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 30:sc= 2.01 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 29:sc= 1.04 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -177:sc= 0 (180deg=-0.0147) USER MOD Single : A 120 SER OG : rot 29:sc= 0.0322 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 137 THR OG1 : rot 57:sc= 1.19 USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.084 X(o=-0.084,f=-0.053) USER MOD Single : A 161 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 163 SER OG : rot 117:sc= 0.833 USER MOD Single : A 167 SER OG : rot -8:sc= 2.07 USER MOD Single : A 168 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N ASN A 5 -10.636 -17.064 -4.134 1.00 0.00 N ATOM 60 CA ASN A 5 -10.547 -15.618 -4.287 1.00 0.00 C ATOM 61 C ASN A 5 -10.543 -14.991 -2.894 1.00 0.00 C ATOM 62 O ASN A 5 -11.155 -15.507 -1.957 1.00 0.00 O ATOM 63 CB ASN A 5 -11.645 -15.034 -5.193 1.00 0.00 C ATOM 64 CG ASN A 5 -12.977 -15.765 -5.206 1.00 0.00 C ATOM 65 OD1 ASN A 5 -13.968 -15.279 -4.666 1.00 0.00 O ATOM 66 ND2 ASN A 5 -13.027 -16.900 -5.892 1.00 0.00 N ATOM 0 HA ASN A 5 -9.618 -15.374 -4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.825 -14.003 -4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.264 -15.003 -6.214 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.911 -17.401 -5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.182 -17.271 -6.326 1.00 0.00 H new ATOM 73 N THR A 6 -9.814 -13.889 -2.758 1.00 0.00 N ATOM 74 CA THR A 6 -9.332 -13.399 -1.480 1.00 0.00 C ATOM 75 C THR A 6 -10.028 -12.094 -1.123 1.00 0.00 C ATOM 76 O THR A 6 -10.432 -11.329 -1.999 1.00 0.00 O ATOM 77 CB THR A 6 -7.802 -13.200 -1.563 1.00 0.00 C ATOM 78 OG1 THR A 6 -7.420 -12.694 -2.831 1.00 0.00 O ATOM 79 CG2 THR A 6 -7.057 -14.518 -1.337 1.00 0.00 C ATOM 0 H THR A 6 -9.539 -13.305 -3.547 1.00 0.00 H new ATOM 0 HA THR A 6 -9.556 -14.124 -0.698 1.00 0.00 H new ATOM 0 HB THR A 6 -7.538 -12.487 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.811 -11.935 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.983 -14.344 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.302 -14.910 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.354 -15.239 -2.098 1.00 0.00 H new ATOM 87 N TRP A 7 -10.109 -11.802 0.175 1.00 0.00 N ATOM 88 CA TRP A 7 -10.315 -10.449 0.645 1.00 0.00 C ATOM 89 C TRP A 7 -9.331 -10.205 1.777 1.00 0.00 C ATOM 90 O TRP A 7 -8.841 -11.150 2.401 1.00 0.00 O ATOM 91 CB TRP A 7 -11.782 -10.151 1.005 1.00 0.00 C ATOM 92 CG TRP A 7 -12.420 -10.887 2.143 1.00 0.00 C ATOM 93 CD1 TRP A 7 -13.281 -11.922 2.021 1.00 0.00 C ATOM 94 CD2 TRP A 7 -12.359 -10.587 3.573 1.00 0.00 C ATOM 95 NE1 TRP A 7 -13.749 -12.287 3.268 1.00 0.00 N ATOM 96 CE2 TRP A 7 -13.220 -11.491 4.263 1.00 0.00 C ATOM 97 CE3 TRP A 7 -11.685 -9.625 4.356 1.00 0.00 C ATOM 98 CZ2 TRP A 7 -13.393 -11.450 5.656 1.00 0.00 C ATOM 99 CZ3 TRP A 7 -11.840 -9.580 5.754 1.00 0.00 C ATOM 100 CH2 TRP A 7 -12.690 -10.492 6.405 1.00 0.00 C ATOM 0 H TRP A 7 -10.033 -12.497 0.918 1.00 0.00 H new ATOM 0 HA TRP A 7 -10.115 -9.737 -0.156 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.857 -9.085 1.221 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -12.383 -10.339 0.115 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -13.560 -12.392 1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -14.405 -13.051 3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -11.037 -8.909 3.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -14.058 -12.146 6.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -11.303 -8.841 6.330 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -12.802 -10.456 7.479 1.00 0.00 H new ATOM 111 N TYR A 8 -9.033 -8.930 2.001 1.00 0.00 N ATOM 112 CA TYR A 8 -8.002 -8.450 2.901 1.00 0.00 C ATOM 113 C TYR A 8 -8.612 -7.301 3.699 1.00 0.00 C ATOM 114 O TYR A 8 -9.446 -6.561 3.168 1.00 0.00 O ATOM 115 CB TYR A 8 -6.785 -7.954 2.093 1.00 0.00 C ATOM 116 CG TYR A 8 -6.462 -8.709 0.810 1.00 0.00 C ATOM 117 CD1 TYR A 8 -5.641 -9.853 0.838 1.00 0.00 C ATOM 118 CD2 TYR A 8 -6.974 -8.248 -0.422 1.00 0.00 C ATOM 119 CE1 TYR A 8 -5.334 -10.529 -0.359 1.00 0.00 C ATOM 120 CE2 TYR A 8 -6.663 -8.916 -1.621 1.00 0.00 C ATOM 121 CZ TYR A 8 -5.830 -10.056 -1.593 1.00 0.00 C ATOM 122 OH TYR A 8 -5.529 -10.753 -2.727 1.00 0.00 O ATOM 0 H TYR A 8 -9.530 -8.170 1.536 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.659 -9.244 3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.949 -6.907 1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.909 -7.992 2.740 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.247 -10.212 1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.610 -7.375 -0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.716 -11.414 -0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.060 -8.558 -2.559 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.350 -10.126 -3.459 1.00 0.00 H new ATOM 132 N THR A 9 -8.223 -7.110 4.960 1.00 0.00 N ATOM 133 CA THR A 9 -8.507 -5.880 5.704 1.00 0.00 C ATOM 134 C THR A 9 -7.392 -5.637 6.725 1.00 0.00 C ATOM 135 O THR A 9 -6.815 -6.599 7.236 1.00 0.00 O ATOM 136 CB THR A 9 -9.907 -5.982 6.343 1.00 0.00 C ATOM 137 OG1 THR A 9 -10.875 -6.094 5.317 1.00 0.00 O ATOM 138 CG2 THR A 9 -10.301 -4.769 7.193 1.00 0.00 C ATOM 0 H THR A 9 -7.702 -7.804 5.496 1.00 0.00 H new ATOM 0 HA THR A 9 -8.523 -5.015 5.040 1.00 0.00 H new ATOM 0 HB THR A 9 -9.870 -6.853 6.997 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.448 -5.950 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.299 -4.922 7.605 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.587 -4.648 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.298 -3.873 6.572 1.00 0.00 H new ATOM 146 N GLY A 10 -7.084 -4.366 7.018 1.00 0.00 N ATOM 147 CA GLY A 10 -6.094 -3.971 8.011 1.00 0.00 C ATOM 148 C GLY A 10 -5.725 -2.496 7.892 1.00 0.00 C ATOM 149 O GLY A 10 -6.597 -1.666 7.650 1.00 0.00 O ATOM 0 H GLY A 10 -7.530 -3.572 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.483 -4.168 9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.198 -4.580 7.892 1.00 0.00 H new ATOM 153 N ALA A 11 -4.446 -2.172 8.107 1.00 0.00 N ATOM 154 CA ALA A 11 -3.919 -0.824 8.278 1.00 0.00 C ATOM 155 C ALA A 11 -3.322 -0.274 6.973 1.00 0.00 C ATOM 156 O ALA A 11 -2.935 -1.038 6.081 1.00 0.00 O ATOM 157 CB ALA A 11 -2.848 -0.852 9.375 1.00 0.00 C ATOM 0 H ALA A 11 -3.717 -2.883 8.169 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.738 -0.163 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.444 0.151 9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.292 -1.197 10.309 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.045 -1.529 9.083 1.00 0.00 H new ATOM 163 N LYS A 12 -3.209 1.059 6.893 1.00 0.00 N ATOM 164 CA LYS A 12 -2.737 1.799 5.723 1.00 0.00 C ATOM 165 C LYS A 12 -2.006 3.068 6.169 1.00 0.00 C ATOM 166 O LYS A 12 -2.463 3.740 7.096 1.00 0.00 O ATOM 167 CB LYS A 12 -3.968 2.184 4.889 1.00 0.00 C ATOM 168 CG LYS A 12 -3.666 2.813 3.513 1.00 0.00 C ATOM 169 CD LYS A 12 -4.680 3.915 3.174 1.00 0.00 C ATOM 170 CE LYS A 12 -4.395 5.191 3.982 1.00 0.00 C ATOM 171 NZ LYS A 12 -5.594 6.041 4.092 1.00 0.00 N ATOM 0 H LYS A 12 -3.454 1.670 7.672 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.048 1.188 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.575 1.292 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.571 2.885 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.659 3.229 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.692 2.041 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.638 4.138 2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.690 3.563 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.047 4.921 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.592 5.753 3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.339 6.945 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.981 6.220 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.310 5.558 4.672 1.00 0.00 H new ATOM 185 N LEU A 13 -0.954 3.453 5.443 1.00 0.00 N ATOM 186 CA LEU A 13 -0.321 4.768 5.482 1.00 0.00 C ATOM 187 C LEU A 13 -0.106 5.223 4.036 1.00 0.00 C ATOM 188 O LEU A 13 0.128 4.387 3.165 1.00 0.00 O ATOM 189 CB LEU A 13 0.985 4.671 6.294 1.00 0.00 C ATOM 190 CG LEU A 13 1.852 5.952 6.321 1.00 0.00 C ATOM 191 CD1 LEU A 13 2.547 6.097 7.681 1.00 0.00 C ATOM 192 CD2 LEU A 13 2.933 5.952 5.227 1.00 0.00 C ATOM 0 H LEU A 13 -0.500 2.824 4.781 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.941 5.514 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.735 4.402 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.585 3.856 5.888 1.00 0.00 H new ATOM 0 HG LEU A 13 1.174 6.787 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.153 7.003 7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.796 6.160 8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.186 5.232 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.514 6.872 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.593 5.096 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.459 5.887 4.247 1.00 0.00 H new ATOM 204 N GLY A 14 -0.161 6.533 3.779 1.00 0.00 N ATOM 205 CA GLY A 14 0.172 7.151 2.497 1.00 0.00 C ATOM 206 C GLY A 14 1.048 8.378 2.725 1.00 0.00 C ATOM 207 O GLY A 14 1.019 8.930 3.822 1.00 0.00 O ATOM 0 H GLY A 14 -0.448 7.213 4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.693 6.434 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.740 7.437 1.973 1.00 0.00 H new ATOM 211 N PHE A 15 1.808 8.813 1.714 1.00 0.00 N ATOM 212 CA PHE A 15 2.754 9.923 1.811 1.00 0.00 C ATOM 213 C PHE A 15 2.980 10.560 0.436 1.00 0.00 C ATOM 214 O PHE A 15 3.100 9.844 -0.558 1.00 0.00 O ATOM 215 CB PHE A 15 4.087 9.377 2.352 1.00 0.00 C ATOM 216 CG PHE A 15 5.231 10.376 2.351 1.00 0.00 C ATOM 217 CD1 PHE A 15 6.071 10.486 1.224 1.00 0.00 C ATOM 218 CD2 PHE A 15 5.455 11.201 3.469 1.00 0.00 C ATOM 219 CE1 PHE A 15 7.119 11.423 1.211 1.00 0.00 C ATOM 220 CE2 PHE A 15 6.519 12.119 3.464 1.00 0.00 C ATOM 221 CZ PHE A 15 7.346 12.238 2.333 1.00 0.00 C ATOM 0 H PHE A 15 1.780 8.391 0.786 1.00 0.00 H new ATOM 0 HA PHE A 15 2.354 10.685 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.932 9.024 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.378 8.512 1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.909 9.848 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.809 11.129 4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.749 11.516 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.702 12.735 4.332 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.154 12.954 2.327 1.00 0.00 H new ATOM 231 N SER A 16 3.138 11.887 0.385 1.00 0.00 N ATOM 232 CA SER A 16 3.750 12.596 -0.733 1.00 0.00 C ATOM 233 C SER A 16 4.465 13.836 -0.193 1.00 0.00 C ATOM 234 O SER A 16 3.924 14.545 0.660 1.00 0.00 O ATOM 235 CB SER A 16 2.671 13.001 -1.748 1.00 0.00 C ATOM 236 OG SER A 16 3.227 13.737 -2.821 1.00 0.00 O ATOM 0 H SER A 16 2.836 12.506 1.137 1.00 0.00 H new ATOM 0 HA SER A 16 4.469 11.950 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.177 12.109 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.907 13.599 -1.251 1.00 0.00 H new ATOM 0 HG SER A 16 3.247 13.178 -3.625 1.00 0.00 H new ATOM 509 N LEU A 35 0.435 13.326 4.232 1.00 0.00 N ATOM 510 CA LEU A 35 0.350 11.902 4.483 1.00 0.00 C ATOM 511 C LEU A 35 -1.095 11.515 4.774 1.00 0.00 C ATOM 512 O LEU A 35 -1.932 12.374 5.053 1.00 0.00 O ATOM 513 CB LEU A 35 1.335 11.515 5.612 1.00 0.00 C ATOM 514 CG LEU A 35 1.146 12.191 6.989 1.00 0.00 C ATOM 515 CD1 LEU A 35 0.054 11.528 7.844 1.00 0.00 C ATOM 516 CD2 LEU A 35 2.472 12.117 7.761 1.00 0.00 C ATOM 0 HA LEU A 35 0.649 11.336 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.274 10.436 5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.345 11.734 5.266 1.00 0.00 H new ATOM 0 HG LEU A 35 0.837 13.219 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.028 12.050 8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.900 11.578 7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.315 10.485 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.353 12.591 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.756 11.073 7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.250 12.634 7.199 1.00 0.00 H new ATOM 528 N GLY A 36 -1.355 10.209 4.742 1.00 0.00 N ATOM 529 CA GLY A 36 -2.574 9.578 5.215 1.00 0.00 C ATOM 530 C GLY A 36 -2.182 8.455 6.168 1.00 0.00 C ATOM 531 O GLY A 36 -1.064 7.944 6.094 1.00 0.00 O ATOM 0 H GLY A 36 -0.687 9.536 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.208 10.305 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.149 9.184 4.377 1.00 0.00 H new ATOM 535 N ALA A 37 -3.094 8.066 7.056 1.00 0.00 N ATOM 536 CA ALA A 37 -2.878 7.061 8.086 1.00 0.00 C ATOM 537 C ALA A 37 -4.242 6.548 8.535 1.00 0.00 C ATOM 538 O ALA A 37 -5.079 7.331 8.993 1.00 0.00 O ATOM 539 CB ALA A 37 -2.119 7.673 9.272 1.00 0.00 C ATOM 0 H ALA A 37 -4.036 8.458 7.076 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.279 6.239 7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.963 6.912 10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.154 8.048 8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.700 8.494 9.691 1.00 0.00 H new ATOM 545 N GLY A 38 -4.466 5.240 8.415 1.00 0.00 N ATOM 546 CA GLY A 38 -5.719 4.617 8.790 1.00 0.00 C ATOM 547 C GLY A 38 -5.734 3.156 8.385 1.00 0.00 C ATOM 548 O GLY A 38 -4.886 2.380 8.829 1.00 0.00 O ATOM 0 H GLY A 38 -3.774 4.585 8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.865 4.702 9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.548 5.140 8.313 1.00 0.00 H new ATOM 552 N ALA A 39 -6.708 2.784 7.553 1.00 0.00 N ATOM 553 CA ALA A 39 -7.048 1.399 7.269 1.00 0.00 C ATOM 554 C ALA A 39 -7.236 1.162 5.770 1.00 0.00 C ATOM 555 O ALA A 39 -7.267 2.103 4.975 1.00 0.00 O ATOM 556 CB ALA A 39 -8.276 0.997 8.105 1.00 0.00 C ATOM 0 H ALA A 39 -7.291 3.454 7.051 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.220 0.753 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.535 -0.041 7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.046 1.107 9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.118 1.640 7.848 1.00 0.00 H new ATOM 562 N PHE A 40 -7.336 -0.113 5.398 1.00 0.00 N ATOM 563 CA PHE A 40 -7.522 -0.616 4.047 1.00 0.00 C ATOM 564 C PHE A 40 -8.390 -1.868 4.130 1.00 0.00 C ATOM 565 O PHE A 40 -8.301 -2.615 5.109 1.00 0.00 O ATOM 566 CB PHE A 40 -6.143 -0.947 3.446 1.00 0.00 C ATOM 567 CG PHE A 40 -6.140 -1.727 2.141 1.00 0.00 C ATOM 568 CD1 PHE A 40 -6.248 -3.133 2.155 1.00 0.00 C ATOM 569 CD2 PHE A 40 -5.967 -1.057 0.914 1.00 0.00 C ATOM 570 CE1 PHE A 40 -6.191 -3.861 0.953 1.00 0.00 C ATOM 571 CE2 PHE A 40 -5.889 -1.790 -0.284 1.00 0.00 C ATOM 572 CZ PHE A 40 -6.000 -3.190 -0.264 1.00 0.00 C ATOM 0 H PHE A 40 -7.285 -0.869 6.081 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.009 0.123 3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.608 -0.011 3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.577 -1.515 4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.375 -3.653 3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.894 0.020 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.294 -4.936 0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.743 -1.275 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.938 -3.750 -1.185 1.00 0.00 H new ATOM 582 N GLY A 41 -9.150 -2.146 3.069 1.00 0.00 N ATOM 583 CA GLY A 41 -9.693 -3.469 2.823 1.00 0.00 C ATOM 584 C GLY A 41 -10.050 -3.618 1.351 1.00 0.00 C ATOM 585 O GLY A 41 -10.277 -2.620 0.671 1.00 0.00 O ATOM 0 H GLY A 41 -9.402 -1.456 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.965 -4.229 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.578 -3.628 3.439 1.00 0.00 H new ATOM 589 N GLY A 42 -10.107 -4.851 0.848 1.00 0.00 N ATOM 590 CA GLY A 42 -10.436 -5.105 -0.548 1.00 0.00 C ATOM 591 C GLY A 42 -10.718 -6.575 -0.804 1.00 0.00 C ATOM 592 O GLY A 42 -10.379 -7.413 0.030 1.00 0.00 O ATOM 0 H GLY A 42 -9.927 -5.693 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.307 -4.514 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.611 -4.778 -1.181 1.00 0.00 H new ATOM 596 N TYR A 43 -11.304 -6.870 -1.967 1.00 0.00 N ATOM 597 CA TYR A 43 -11.593 -8.203 -2.482 1.00 0.00 C ATOM 598 C TYR A 43 -10.927 -8.337 -3.849 1.00 0.00 C ATOM 599 O TYR A 43 -11.014 -7.420 -4.670 1.00 0.00 O ATOM 600 CB TYR A 43 -13.110 -8.425 -2.578 1.00 0.00 C ATOM 601 CG TYR A 43 -13.515 -9.647 -3.391 1.00 0.00 C ATOM 602 CD1 TYR A 43 -13.404 -10.942 -2.846 1.00 0.00 C ATOM 603 CD2 TYR A 43 -13.976 -9.491 -4.714 1.00 0.00 C ATOM 604 CE1 TYR A 43 -13.749 -12.073 -3.606 1.00 0.00 C ATOM 605 CE2 TYR A 43 -14.334 -10.616 -5.478 1.00 0.00 C ATOM 606 CZ TYR A 43 -14.222 -11.914 -4.930 1.00 0.00 C ATOM 607 OH TYR A 43 -14.569 -12.996 -5.681 1.00 0.00 O ATOM 0 H TYR A 43 -11.606 -6.138 -2.610 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.199 -8.963 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -13.515 -8.523 -1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -13.567 -7.540 -3.021 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.050 -11.067 -1.833 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -14.055 -8.503 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.653 -13.061 -3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -14.696 -10.488 -6.487 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.633 -13.787 -5.106 1.00 0.00 H new ATOM 617 N GLN A 44 -10.259 -9.470 -4.072 1.00 0.00 N ATOM 618 CA GLN A 44 -9.583 -9.851 -5.299 1.00 0.00 C ATOM 619 C GLN A 44 -10.157 -11.176 -5.800 1.00 0.00 C ATOM 620 O GLN A 44 -10.025 -12.210 -5.138 1.00 0.00 O ATOM 621 CB GLN A 44 -8.075 -9.895 -5.031 1.00 0.00 C ATOM 622 CG GLN A 44 -7.280 -10.528 -6.180 1.00 0.00 C ATOM 623 CD GLN A 44 -5.770 -10.475 -5.962 1.00 0.00 C ATOM 624 OE1 GLN A 44 -5.271 -9.726 -5.119 1.00 0.00 O ATOM 625 NE2 GLN A 44 -5.018 -11.217 -6.760 1.00 0.00 N ATOM 0 H GLN A 44 -10.174 -10.186 -3.351 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.747 -9.124 -6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.712 -8.881 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.891 -10.458 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.588 -11.567 -6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.525 -10.015 -7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.455 -11.829 -7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.002 -11.177 -6.685 1.00 0.00 H new ATOM 634 N VAL A 45 -10.748 -11.159 -6.997 1.00 0.00 N ATOM 635 CA VAL A 45 -11.221 -12.350 -7.679 1.00 0.00 C ATOM 636 C VAL A 45 -10.017 -13.063 -8.312 1.00 0.00 C ATOM 637 O VAL A 45 -9.768 -12.987 -9.516 1.00 0.00 O ATOM 638 CB VAL A 45 -12.434 -12.055 -8.593 1.00 0.00 C ATOM 639 CG1 VAL A 45 -12.223 -10.967 -9.653 1.00 0.00 C ATOM 640 CG2 VAL A 45 -12.966 -13.342 -9.242 1.00 0.00 C ATOM 0 H VAL A 45 -10.911 -10.300 -7.522 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.649 -13.068 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 45 -13.180 -11.641 -7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.136 -10.844 -10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.975 -10.025 -9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.407 -11.257 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.818 -13.103 -9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.180 -13.798 -9.844 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.278 -14.039 -8.465 1.00 0.00 H new ATOM 699 N VAL A 49 -7.984 -9.630 -10.834 1.00 0.00 N ATOM 700 CA VAL A 49 -8.576 -8.306 -10.667 1.00 0.00 C ATOM 701 C VAL A 49 -9.338 -8.261 -9.333 1.00 0.00 C ATOM 702 O VAL A 49 -9.586 -9.301 -8.721 1.00 0.00 O ATOM 703 CB VAL A 49 -9.432 -8.000 -11.927 1.00 0.00 C ATOM 704 CG1 VAL A 49 -10.699 -8.863 -12.030 1.00 0.00 C ATOM 705 CG2 VAL A 49 -9.811 -6.522 -12.094 1.00 0.00 C ATOM 0 HA VAL A 49 -7.830 -7.514 -10.600 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.761 -8.263 -12.745 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.248 -8.596 -12.933 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.420 -9.916 -12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.329 -8.690 -11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.407 -6.399 -12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.390 -6.195 -11.230 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.905 -5.921 -12.172 1.00 0.00 H new ATOM 715 N GLY A 50 -9.700 -7.068 -8.862 1.00 0.00 N ATOM 716 CA GLY A 50 -10.346 -6.843 -7.584 1.00 0.00 C ATOM 717 C GLY A 50 -10.785 -5.391 -7.422 1.00 0.00 C ATOM 718 O GLY A 50 -10.643 -4.575 -8.337 1.00 0.00 O ATOM 0 H GLY A 50 -9.543 -6.206 -9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.213 -7.498 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.661 -7.108 -6.778 1.00 0.00 H new ATOM 722 N PHE A 51 -11.300 -5.073 -6.235 1.00 0.00 N ATOM 723 CA PHE A 51 -11.635 -3.723 -5.807 1.00 0.00 C ATOM 724 C PHE A 51 -11.241 -3.585 -4.337 1.00 0.00 C ATOM 725 O PHE A 51 -11.293 -4.562 -3.585 1.00 0.00 O ATOM 726 CB PHE A 51 -13.132 -3.458 -6.032 1.00 0.00 C ATOM 727 CG PHE A 51 -13.517 -1.990 -5.977 1.00 0.00 C ATOM 728 CD1 PHE A 51 -13.802 -1.368 -4.745 1.00 0.00 C ATOM 729 CD2 PHE A 51 -13.567 -1.233 -7.165 1.00 0.00 C ATOM 730 CE1 PHE A 51 -14.116 0.002 -4.700 1.00 0.00 C ATOM 731 CE2 PHE A 51 -13.883 0.136 -7.120 1.00 0.00 C ATOM 732 CZ PHE A 51 -14.155 0.754 -5.888 1.00 0.00 C ATOM 0 H PHE A 51 -11.501 -5.775 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.092 -2.980 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -13.420 -3.862 -7.003 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -13.703 -4.001 -5.279 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -13.779 -1.945 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -13.362 -1.707 -8.114 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -14.327 0.477 -3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.917 0.713 -8.033 1.00 0.00 H new ATOM 0 HZ PHE A 51 -14.394 1.807 -5.853 1.00 0.00 H new ATOM 742 N GLU A 52 -10.844 -2.378 -3.932 1.00 0.00 N ATOM 743 CA GLU A 52 -10.314 -2.068 -2.615 1.00 0.00 C ATOM 744 C GLU A 52 -10.776 -0.671 -2.206 1.00 0.00 C ATOM 745 O GLU A 52 -11.020 0.191 -3.058 1.00 0.00 O ATOM 746 CB GLU A 52 -8.769 -2.070 -2.584 1.00 0.00 C ATOM 747 CG GLU A 52 -7.983 -2.979 -3.548 1.00 0.00 C ATOM 748 CD GLU A 52 -6.731 -2.244 -4.028 1.00 0.00 C ATOM 749 OE1 GLU A 52 -6.886 -1.285 -4.821 1.00 0.00 O ATOM 750 OE2 GLU A 52 -5.624 -2.594 -3.574 1.00 0.00 O ATOM 0 H GLU A 52 -10.887 -1.561 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.680 -2.838 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.439 -1.046 -2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.465 -2.332 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.705 -3.906 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.607 -3.252 -4.399 1.00 0.00 H new ATOM 757 N MET A 53 -10.758 -0.413 -0.900 1.00 0.00 N ATOM 758 CA MET A 53 -10.906 0.899 -0.305 1.00 0.00 C ATOM 759 C MET A 53 -9.774 1.147 0.689 1.00 0.00 C ATOM 760 O MET A 53 -9.158 0.215 1.214 1.00 0.00 O ATOM 761 CB MET A 53 -12.275 1.026 0.382 1.00 0.00 C ATOM 762 CG MET A 53 -13.418 1.127 -0.635 1.00 0.00 C ATOM 763 SD MET A 53 -15.023 1.613 0.058 1.00 0.00 S ATOM 764 CE MET A 53 -14.684 3.335 0.524 1.00 0.00 C ATOM 0 H MET A 53 -10.634 -1.149 -0.204 1.00 0.00 H new ATOM 0 HA MET A 53 -10.852 1.654 -1.090 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.439 0.163 1.028 1.00 0.00 H new ATOM 0 HB3 MET A 53 -12.280 1.908 1.022 1.00 0.00 H new ATOM 0 HG2 MET A 53 -13.138 1.848 -1.403 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.530 0.162 -1.129 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.624 3.852 0.714 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.071 3.354 1.425 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.153 3.834 -0.287 1.00 0.00 H new ATOM 774 N GLY A 54 -9.544 2.429 0.966 1.00 0.00 N ATOM 775 CA GLY A 54 -8.678 2.925 2.021 1.00 0.00 C ATOM 776 C GLY A 54 -9.482 3.844 2.934 1.00 0.00 C ATOM 777 O GLY A 54 -10.585 4.265 2.586 1.00 0.00 O ATOM 0 H GLY A 54 -9.979 3.182 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.267 2.093 2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.834 3.465 1.592 1.00 0.00 H new ATOM 781 N TYR A 55 -8.934 4.150 4.105 1.00 0.00 N ATOM 782 CA TYR A 55 -9.584 4.895 5.174 1.00 0.00 C ATOM 783 C TYR A 55 -8.501 5.654 5.935 1.00 0.00 C ATOM 784 O TYR A 55 -7.371 5.162 6.019 1.00 0.00 O ATOM 785 CB TYR A 55 -10.281 3.859 6.067 1.00 0.00 C ATOM 786 CG TYR A 55 -11.128 4.367 7.220 1.00 0.00 C ATOM 787 CD1 TYR A 55 -10.526 4.761 8.432 1.00 0.00 C ATOM 788 CD2 TYR A 55 -12.532 4.337 7.116 1.00 0.00 C ATOM 789 CE1 TYR A 55 -11.323 5.125 9.532 1.00 0.00 C ATOM 790 CE2 TYR A 55 -13.336 4.685 8.214 1.00 0.00 C ATOM 791 CZ TYR A 55 -12.732 5.069 9.433 1.00 0.00 C ATOM 792 OH TYR A 55 -13.499 5.374 10.517 1.00 0.00 O ATOM 0 H TYR A 55 -7.982 3.872 4.344 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.318 5.615 4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.917 3.244 5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.514 3.204 6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.450 4.783 8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -12.994 4.044 6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.859 5.447 10.452 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -14.412 4.659 8.127 1.00 0.00 H new ATOM 0 HH TYR A 55 -14.446 5.288 10.282 1.00 0.00 H new ATOM 1108 N GLY A 76 -12.594 10.682 5.462 1.00 0.00 N ATOM 1109 CA GLY A 76 -11.388 10.538 4.668 1.00 0.00 C ATOM 1110 C GLY A 76 -11.250 9.071 4.311 1.00 0.00 C ATOM 1111 O GLY A 76 -10.900 8.267 5.178 1.00 0.00 O ATOM 0 HA2 GLY A 76 -11.447 11.148 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.517 10.880 5.228 1.00 0.00 H new ATOM 1115 N VAL A 77 -11.611 8.720 3.075 1.00 0.00 N ATOM 1116 CA VAL A 77 -11.555 7.353 2.564 1.00 0.00 C ATOM 1117 C VAL A 77 -11.059 7.375 1.115 1.00 0.00 C ATOM 1118 O VAL A 77 -10.967 8.432 0.488 1.00 0.00 O ATOM 1119 CB VAL A 77 -12.892 6.586 2.762 1.00 0.00 C ATOM 1120 CG1 VAL A 77 -13.293 6.456 4.240 1.00 0.00 C ATOM 1121 CG2 VAL A 77 -14.079 7.186 2.005 1.00 0.00 C ATOM 0 H VAL A 77 -11.957 9.392 2.390 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.836 6.781 3.150 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.676 5.602 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.234 5.912 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.517 5.915 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.413 7.449 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -14.972 6.591 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.245 8.209 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.866 7.186 0.936 1.00 0.00 H new ATOM 1131 N GLN A 78 -10.668 6.211 0.602 1.00 0.00 N ATOM 1132 CA GLN A 78 -10.245 5.999 -0.773 1.00 0.00 C ATOM 1133 C GLN A 78 -11.048 4.832 -1.338 1.00 0.00 C ATOM 1134 O GLN A 78 -11.468 3.961 -0.574 1.00 0.00 O ATOM 1135 CB GLN A 78 -8.734 5.707 -0.841 1.00 0.00 C ATOM 1136 CG GLN A 78 -7.833 6.849 -0.342 1.00 0.00 C ATOM 1137 CD GLN A 78 -7.642 6.910 1.175 1.00 0.00 C ATOM 1138 OE1 GLN A 78 -7.066 6.009 1.783 1.00 0.00 O ATOM 1139 NE2 GLN A 78 -8.070 7.996 1.804 1.00 0.00 N ATOM 0 H GLN A 78 -10.637 5.357 1.159 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.427 6.898 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.524 4.814 -0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -8.469 5.478 -1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.854 6.751 -0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.254 7.797 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.546 8.733 1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.924 8.095 2.809 1.00 0.00 H new ATOM 1148 N LEU A 79 -11.226 4.789 -2.661 1.00 0.00 N ATOM 1149 CA LEU A 79 -11.860 3.684 -3.372 1.00 0.00 C ATOM 1150 C LEU A 79 -11.125 3.451 -4.688 1.00 0.00 C ATOM 1151 O LEU A 79 -10.709 4.408 -5.344 1.00 0.00 O ATOM 1152 CB LEU A 79 -13.377 3.909 -3.548 1.00 0.00 C ATOM 1153 CG LEU A 79 -13.846 4.881 -4.655 1.00 0.00 C ATOM 1154 CD1 LEU A 79 -15.377 4.824 -4.752 1.00 0.00 C ATOM 1155 CD2 LEU A 79 -13.431 6.338 -4.408 1.00 0.00 C ATOM 0 H LEU A 79 -10.925 5.542 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.780 2.774 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -13.838 2.940 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.773 4.269 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.365 4.559 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.718 5.507 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.688 3.809 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.813 5.116 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.794 6.963 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.860 6.684 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.344 6.403 -4.357 1.00 0.00 H new ATOM 1167 N THR A 80 -10.930 2.181 -5.044 1.00 0.00 N ATOM 1168 CA THR A 80 -9.936 1.765 -6.025 1.00 0.00 C ATOM 1169 C THR A 80 -10.354 0.442 -6.665 1.00 0.00 C ATOM 1170 O THR A 80 -10.690 -0.500 -5.952 1.00 0.00 O ATOM 1171 CB THR A 80 -8.556 1.599 -5.345 1.00 0.00 C ATOM 1172 OG1 THR A 80 -8.665 1.262 -3.966 1.00 0.00 O ATOM 1173 CG2 THR A 80 -7.712 2.876 -5.427 1.00 0.00 C ATOM 0 H THR A 80 -11.466 1.406 -4.653 1.00 0.00 H new ATOM 0 HA THR A 80 -9.865 2.531 -6.798 1.00 0.00 H new ATOM 0 HB THR A 80 -8.075 0.789 -5.893 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.488 0.751 -3.818 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.753 2.710 -4.936 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.545 3.135 -6.472 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.237 3.692 -4.931 1.00 0.00 H new ATOM 1181 N ALA A 81 -10.275 0.345 -7.994 1.00 0.00 N ATOM 1182 CA ALA A 81 -10.229 -0.932 -8.693 1.00 0.00 C ATOM 1183 C ALA A 81 -8.771 -1.398 -8.719 1.00 0.00 C ATOM 1184 O ALA A 81 -7.860 -0.565 -8.751 1.00 0.00 O ATOM 1185 CB ALA A 81 -10.765 -0.752 -10.117 1.00 0.00 C ATOM 0 H ALA A 81 -10.241 1.155 -8.613 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.845 -1.677 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.731 -1.707 -10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.795 -0.397 -10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.151 -0.024 -10.648 1.00 0.00 H new ATOM 1191 N LYS A 82 -8.552 -2.717 -8.742 1.00 0.00 N ATOM 1192 CA LYS A 82 -7.238 -3.344 -8.646 1.00 0.00 C ATOM 1193 C LYS A 82 -7.102 -4.381 -9.747 1.00 0.00 C ATOM 1194 O LYS A 82 -7.972 -5.231 -9.890 1.00 0.00 O ATOM 1195 CB LYS A 82 -7.093 -3.977 -7.250 1.00 0.00 C ATOM 1196 CG LYS A 82 -5.711 -4.594 -6.966 1.00 0.00 C ATOM 1197 CD LYS A 82 -5.645 -6.124 -7.143 1.00 0.00 C ATOM 1198 CE LYS A 82 -4.196 -6.571 -6.910 1.00 0.00 C ATOM 1199 NZ LYS A 82 -4.005 -8.037 -6.893 1.00 0.00 N ATOM 0 H LYS A 82 -9.310 -3.394 -8.831 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.444 -2.608 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.298 -3.216 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.852 -4.751 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.978 -4.132 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.419 -4.346 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.313 -6.618 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.974 -6.406 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.567 -6.144 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.850 -6.161 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.989 -8.255 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.407 -8.429 -6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.484 -8.459 -7.714 1.00 0.00 H new ATOM 1213 N LEU A 83 -5.996 -4.353 -10.482 1.00 0.00 N ATOM 1214 CA LEU A 83 -5.483 -5.466 -11.267 1.00 0.00 C ATOM 1215 C LEU A 83 -4.283 -6.010 -10.488 1.00 0.00 C ATOM 1216 O LEU A 83 -3.588 -5.236 -9.822 1.00 0.00 O ATOM 1217 CB LEU A 83 -5.064 -4.932 -12.649 1.00 0.00 C ATOM 1218 CG LEU A 83 -4.759 -6.033 -13.684 1.00 0.00 C ATOM 1219 CD1 LEU A 83 -6.051 -6.642 -14.246 1.00 0.00 C ATOM 1220 CD2 LEU A 83 -3.940 -5.450 -14.842 1.00 0.00 C ATOM 0 H LEU A 83 -5.410 -3.521 -10.549 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.218 -6.256 -11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.859 -4.295 -13.036 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.181 -4.304 -12.531 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.192 -6.815 -13.179 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.803 -7.415 -14.973 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.630 -7.081 -13.433 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.639 -5.863 -14.731 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.729 -6.234 -15.569 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.506 -4.652 -15.323 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.002 -5.048 -14.458 1.00 0.00 H new ATOM 1232 N GLY A 84 -4.000 -7.311 -10.560 1.00 0.00 N ATOM 1233 CA GLY A 84 -2.720 -7.793 -10.065 1.00 0.00 C ATOM 1234 C GLY A 84 -2.580 -9.302 -10.075 1.00 0.00 C ATOM 1235 O GLY A 84 -3.554 -10.018 -10.315 1.00 0.00 O ATOM 0 H GLY A 84 -4.619 -8.025 -10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.923 -7.361 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.578 -7.433 -9.046 1.00 0.00 H new ATOM 1239 N TYR A 85 -1.349 -9.763 -9.839 1.00 0.00 N ATOM 1240 CA TYR A 85 -0.961 -11.138 -10.129 1.00 0.00 C ATOM 1241 C TYR A 85 0.106 -11.635 -9.141 1.00 0.00 C ATOM 1242 O TYR A 85 1.081 -10.911 -8.920 1.00 0.00 O ATOM 1243 CB TYR A 85 -0.431 -11.192 -11.573 1.00 0.00 C ATOM 1244 CG TYR A 85 -0.469 -12.577 -12.182 1.00 0.00 C ATOM 1245 CD1 TYR A 85 -1.659 -13.037 -12.770 1.00 0.00 C ATOM 1246 CD2 TYR A 85 0.659 -13.415 -12.140 1.00 0.00 C ATOM 1247 CE1 TYR A 85 -1.742 -14.340 -13.291 1.00 0.00 C ATOM 1248 CE2 TYR A 85 0.587 -14.722 -12.653 1.00 0.00 C ATOM 1249 CZ TYR A 85 -0.616 -15.193 -13.228 1.00 0.00 C ATOM 1250 OH TYR A 85 -0.683 -16.464 -13.714 1.00 0.00 O ATOM 0 H TYR A 85 -0.600 -9.194 -9.444 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.826 -11.793 -10.021 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.020 -10.516 -12.193 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.596 -10.826 -11.588 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.518 -12.384 -12.822 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.583 -13.054 -11.713 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.662 -14.688 -13.737 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.452 -15.367 -12.608 1.00 0.00 H new ATOM 0 HH TYR A 85 0.182 -16.908 -13.590 1.00 0.00 H new ATOM 1260 N PRO A 86 -0.023 -12.849 -8.568 1.00 0.00 N ATOM 1261 CA PRO A 86 1.008 -13.473 -7.749 1.00 0.00 C ATOM 1262 C PRO A 86 2.188 -13.911 -8.617 1.00 0.00 C ATOM 1263 O PRO A 86 1.993 -14.536 -9.658 1.00 0.00 O ATOM 1264 CB PRO A 86 0.330 -14.658 -7.060 1.00 0.00 C ATOM 1265 CG PRO A 86 -0.746 -15.073 -8.058 1.00 0.00 C ATOM 1266 CD PRO A 86 -1.154 -13.750 -8.708 1.00 0.00 C ATOM 0 HA PRO A 86 1.420 -12.785 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.034 -15.468 -6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.100 -14.373 -6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.361 -15.780 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.589 -15.555 -7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.404 -13.896 -9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.039 -13.338 -8.224 1.00 0.00 H new ATOM 1274 N ILE A 87 3.420 -13.642 -8.171 1.00 0.00 N ATOM 1275 CA ILE A 87 4.635 -14.055 -8.880 1.00 0.00 C ATOM 1276 C ILE A 87 4.671 -15.579 -9.093 1.00 0.00 C ATOM 1277 O ILE A 87 5.212 -16.070 -10.083 1.00 0.00 O ATOM 1278 CB ILE A 87 5.882 -13.510 -8.141 1.00 0.00 C ATOM 1279 CG1 ILE A 87 7.192 -13.674 -8.941 1.00 0.00 C ATOM 1280 CG2 ILE A 87 6.075 -14.157 -6.756 1.00 0.00 C ATOM 1281 CD1 ILE A 87 7.203 -12.911 -10.271 1.00 0.00 C ATOM 0 H ILE A 87 3.602 -13.131 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 87 4.635 -13.622 -9.880 1.00 0.00 H new ATOM 0 HB ILE A 87 5.678 -12.446 -8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.026 -13.331 -8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.356 -14.733 -9.139 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.963 -13.740 -6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.202 -13.955 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.197 -15.234 -6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.155 -13.074 -10.776 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.391 -13.270 -10.903 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.071 -11.846 -10.081 1.00 0.00 H new ATOM 1331 N LEU A 91 3.618 -13.291 -3.216 1.00 0.00 N ATOM 1332 CA LEU A 91 3.892 -11.906 -3.578 1.00 0.00 C ATOM 1333 C LEU A 91 3.031 -11.543 -4.784 1.00 0.00 C ATOM 1334 O LEU A 91 3.306 -12.005 -5.894 1.00 0.00 O ATOM 1335 CB LEU A 91 5.383 -11.643 -3.872 1.00 0.00 C ATOM 1336 CG LEU A 91 6.357 -12.071 -2.755 1.00 0.00 C ATOM 1337 CD1 LEU A 91 6.971 -13.448 -3.047 1.00 0.00 C ATOM 1338 CD2 LEU A 91 7.502 -11.056 -2.612 1.00 0.00 C ATOM 0 HA LEU A 91 3.642 -11.275 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.654 -12.166 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.517 -10.578 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 91 5.780 -12.117 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.653 -13.721 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.178 -14.192 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.519 -13.410 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.177 -11.378 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.051 -10.992 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.092 -10.077 -2.364 1.00 0.00 H new ATOM 1350 N ASP A 92 1.983 -10.745 -4.562 1.00 0.00 N ATOM 1351 CA ASP A 92 1.036 -10.303 -5.586 1.00 0.00 C ATOM 1352 C ASP A 92 1.389 -8.876 -5.987 1.00 0.00 C ATOM 1353 O ASP A 92 1.527 -7.997 -5.134 1.00 0.00 O ATOM 1354 CB ASP A 92 -0.417 -10.475 -5.107 1.00 0.00 C ATOM 1355 CG ASP A 92 -1.473 -10.146 -6.179 1.00 0.00 C ATOM 1356 OD1 ASP A 92 -1.521 -8.985 -6.645 1.00 0.00 O ATOM 1357 OD2 ASP A 92 -2.307 -11.024 -6.504 1.00 0.00 O ATOM 0 H ASP A 92 1.765 -10.378 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 92 1.113 -10.926 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.560 -11.503 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.582 -9.834 -4.241 1.00 0.00 H new ATOM 1362 N ILE A 93 1.586 -8.663 -7.288 1.00 0.00 N ATOM 1363 CA ILE A 93 1.988 -7.393 -7.873 1.00 0.00 C ATOM 1364 C ILE A 93 0.688 -6.664 -8.207 1.00 0.00 C ATOM 1365 O ILE A 93 -0.104 -7.168 -9.004 1.00 0.00 O ATOM 1366 CB ILE A 93 2.875 -7.625 -9.122 1.00 0.00 C ATOM 1367 CG1 ILE A 93 4.094 -8.526 -8.799 1.00 0.00 C ATOM 1368 CG2 ILE A 93 3.334 -6.263 -9.681 1.00 0.00 C ATOM 1369 CD1 ILE A 93 4.918 -8.928 -10.028 1.00 0.00 C ATOM 0 H ILE A 93 1.465 -9.399 -7.984 1.00 0.00 H new ATOM 0 HA ILE A 93 2.595 -6.796 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 93 2.284 -8.146 -9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.742 -8.004 -8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.743 -9.429 -8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.958 -6.422 -10.560 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.462 -5.671 -9.958 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.907 -5.732 -8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.752 -9.557 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.287 -9.480 -10.724 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.302 -8.033 -10.517 1.00 0.00 H new ATOM 1381 N TYR A 94 0.471 -5.510 -7.568 1.00 0.00 N ATOM 1382 CA TYR A 94 -0.741 -4.701 -7.628 1.00 0.00 C ATOM 1383 C TYR A 94 -0.552 -3.558 -8.628 1.00 0.00 C ATOM 1384 O TYR A 94 0.483 -2.889 -8.624 1.00 0.00 O ATOM 1385 CB TYR A 94 -1.032 -4.089 -6.237 1.00 0.00 C ATOM 1386 CG TYR A 94 -1.820 -4.942 -5.252 1.00 0.00 C ATOM 1387 CD1 TYR A 94 -1.465 -6.282 -5.001 1.00 0.00 C ATOM 1388 CD2 TYR A 94 -2.930 -4.390 -4.575 1.00 0.00 C ATOM 1389 CE1 TYR A 94 -2.227 -7.070 -4.121 1.00 0.00 C ATOM 1390 CE2 TYR A 94 -3.698 -5.178 -3.698 1.00 0.00 C ATOM 1391 CZ TYR A 94 -3.356 -6.527 -3.473 1.00 0.00 C ATOM 1392 OH TYR A 94 -4.111 -7.301 -2.648 1.00 0.00 O ATOM 0 H TYR A 94 1.179 -5.096 -6.962 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.570 -5.337 -7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.079 -3.833 -5.775 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.575 -3.156 -6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.600 -6.707 -5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.192 -3.354 -4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.946 -8.097 -3.940 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.552 -4.748 -3.196 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.549 -7.996 -2.247 1.00 0.00 H new ATOM 1402 N THR A 95 -1.611 -3.259 -9.384 1.00 0.00 N ATOM 1403 CA THR A 95 -1.803 -2.017 -10.123 1.00 0.00 C ATOM 1404 C THR A 95 -3.238 -1.579 -9.834 1.00 0.00 C ATOM 1405 O THR A 95 -4.177 -2.298 -10.173 1.00 0.00 O ATOM 1406 CB THR A 95 -1.546 -2.235 -11.625 1.00 0.00 C ATOM 1407 OG1 THR A 95 -0.235 -2.719 -11.832 1.00 0.00 O ATOM 1408 CG2 THR A 95 -1.697 -0.934 -12.421 1.00 0.00 C ATOM 0 H THR A 95 -2.390 -3.907 -9.500 1.00 0.00 H new ATOM 0 HA THR A 95 -1.101 -1.242 -9.816 1.00 0.00 H new ATOM 0 HB THR A 95 -2.285 -2.958 -11.971 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.084 -2.855 -12.791 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.508 -1.129 -13.477 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.709 -0.548 -12.299 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.982 -0.198 -12.054 1.00 0.00 H new ATOM 1416 N ARG A 96 -3.429 -0.441 -9.163 1.00 0.00 N ATOM 1417 CA ARG A 96 -4.727 -0.009 -8.649 1.00 0.00 C ATOM 1418 C ARG A 96 -5.011 1.430 -9.062 1.00 0.00 C ATOM 1419 O ARG A 96 -4.078 2.220 -9.201 1.00 0.00 O ATOM 1420 CB ARG A 96 -4.789 -0.225 -7.124 1.00 0.00 C ATOM 1421 CG ARG A 96 -3.725 0.564 -6.335 1.00 0.00 C ATOM 1422 CD ARG A 96 -3.643 0.173 -4.855 1.00 0.00 C ATOM 1423 NE ARG A 96 -4.911 0.398 -4.149 1.00 0.00 N ATOM 1424 CZ ARG A 96 -5.082 0.892 -2.919 1.00 0.00 C ATOM 1425 NH1 ARG A 96 -4.048 1.107 -2.107 1.00 0.00 N ATOM 1426 NH2 ARG A 96 -6.313 1.177 -2.494 1.00 0.00 N ATOM 0 H ARG A 96 -2.674 0.214 -8.959 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.518 -0.617 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.778 0.062 -6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.669 -1.288 -6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -2.751 0.407 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.945 1.629 -6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.366 -0.878 -4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.854 0.749 -4.372 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.760 0.148 -4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.101 0.894 -2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.203 1.485 -1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.113 1.018 -3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.454 1.554 -1.557 1.00 0.00 H new ATOM 1440 N LEU A 97 -6.286 1.778 -9.263 1.00 0.00 N ATOM 1441 CA LEU A 97 -6.710 3.102 -9.719 1.00 0.00 C ATOM 1442 C LEU A 97 -8.105 3.429 -9.203 1.00 0.00 C ATOM 1443 O LEU A 97 -8.933 2.531 -9.052 1.00 0.00 O ATOM 1444 CB LEU A 97 -6.623 3.190 -11.257 1.00 0.00 C ATOM 1445 CG LEU A 97 -7.580 2.256 -12.038 1.00 0.00 C ATOM 1446 CD1 LEU A 97 -8.891 2.956 -12.428 1.00 0.00 C ATOM 1447 CD2 LEU A 97 -6.897 1.762 -13.321 1.00 0.00 C ATOM 0 H LEU A 97 -7.064 1.136 -9.110 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.035 3.853 -9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.825 4.219 -11.556 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.600 2.966 -11.558 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.817 1.423 -11.376 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.527 2.259 -12.973 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.407 3.290 -11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.670 3.816 -13.060 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.576 1.106 -13.865 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.638 2.616 -13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.991 1.213 -13.063 1.00 0.00 H new ATOM 1459 N GLY A 98 -8.375 4.711 -8.950 1.00 0.00 N ATOM 1460 CA GLY A 98 -9.658 5.193 -8.468 1.00 0.00 C ATOM 1461 C GLY A 98 -9.497 6.596 -7.898 1.00 0.00 C ATOM 1462 O GLY A 98 -9.057 7.497 -8.614 1.00 0.00 O ATOM 0 H GLY A 98 -7.689 5.454 -9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.383 5.201 -9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.046 4.521 -7.702 1.00 0.00 H new ATOM 1466 N GLY A 99 -9.845 6.796 -6.623 1.00 0.00 N ATOM 1467 CA GLY A 99 -9.821 8.119 -6.020 1.00 0.00 C ATOM 1468 C GLY A 99 -9.743 8.097 -4.499 1.00 0.00 C ATOM 1469 O GLY A 99 -9.965 7.073 -3.850 1.00 0.00 O ATOM 0 H GLY A 99 -10.146 6.053 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.966 8.671 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.717 8.662 -6.321 1.00 0.00 H new ATOM 1473 N MET A 100 -9.456 9.275 -3.950 1.00 0.00 N ATOM 1474 CA MET A 100 -9.642 9.651 -2.560 1.00 0.00 C ATOM 1475 C MET A 100 -10.915 10.491 -2.492 1.00 0.00 C ATOM 1476 O MET A 100 -11.235 11.183 -3.462 1.00 0.00 O ATOM 1477 CB MET A 100 -8.449 10.487 -2.064 1.00 0.00 C ATOM 1478 CG MET A 100 -7.083 9.891 -2.432 1.00 0.00 C ATOM 1479 SD MET A 100 -5.666 10.590 -1.542 1.00 0.00 S ATOM 1480 CE MET A 100 -5.750 12.311 -2.107 1.00 0.00 C ATOM 0 H MET A 100 -9.063 10.037 -4.503 1.00 0.00 H new ATOM 0 HA MET A 100 -9.716 8.763 -1.932 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.522 11.491 -2.481 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.512 10.587 -0.980 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.112 8.817 -2.248 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.922 10.027 -3.501 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.912 12.871 -1.693 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.703 12.339 -3.196 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.686 12.758 -1.773 1.00 0.00 H new ATOM 1490 N VAL A 101 -11.616 10.459 -1.356 1.00 0.00 N ATOM 1491 CA VAL A 101 -12.730 11.353 -1.068 1.00 0.00 C ATOM 1492 C VAL A 101 -12.579 11.869 0.364 1.00 0.00 C ATOM 1493 O VAL A 101 -12.227 11.099 1.269 1.00 0.00 O ATOM 1494 CB VAL A 101 -14.101 10.683 -1.326 1.00 0.00 C ATOM 1495 CG1 VAL A 101 -14.320 10.354 -2.808 1.00 0.00 C ATOM 1496 CG2 VAL A 101 -14.317 9.395 -0.528 1.00 0.00 C ATOM 0 H VAL A 101 -11.419 9.800 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.703 12.201 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 101 -14.822 11.429 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -15.296 9.886 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -14.278 11.272 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -13.542 9.670 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -15.299 8.983 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -13.547 8.670 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -14.259 9.614 0.538 1.00 0.00 H new ATOM 1506 N PHE A 102 -12.826 13.171 0.567 1.00 0.00 N ATOM 1507 CA PHE A 102 -12.513 13.815 1.843 1.00 0.00 C ATOM 1508 C PHE A 102 -13.453 14.977 2.180 1.00 0.00 C ATOM 1509 O PHE A 102 -13.658 15.899 1.381 1.00 0.00 O ATOM 1510 CB PHE A 102 -11.041 14.260 1.856 1.00 0.00 C ATOM 1511 CG PHE A 102 -10.566 14.786 3.200 1.00 0.00 C ATOM 1512 CD1 PHE A 102 -10.029 13.897 4.150 1.00 0.00 C ATOM 1513 CD2 PHE A 102 -10.656 16.156 3.510 1.00 0.00 C ATOM 1514 CE1 PHE A 102 -9.606 14.367 5.405 1.00 0.00 C ATOM 1515 CE2 PHE A 102 -10.214 16.632 4.756 1.00 0.00 C ATOM 1516 CZ PHE A 102 -9.696 15.737 5.708 1.00 0.00 C ATOM 0 H PHE A 102 -13.238 13.791 -0.131 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.671 13.075 2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -10.415 13.417 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.900 15.036 1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.941 12.847 3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.067 16.845 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -9.212 13.676 6.136 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.272 17.686 4.982 1.00 0.00 H new ATOM 0 HZ PHE A 102 -9.368 16.101 6.670 1.00 0.00 H new ATOM 1526 N ARG A 103 -13.979 14.973 3.409 1.00 0.00 N ATOM 1527 CA ARG A 103 -14.751 16.062 3.990 1.00 0.00 C ATOM 1528 C ARG A 103 -14.324 16.270 5.443 1.00 0.00 C ATOM 1529 O ARG A 103 -14.624 15.461 6.326 1.00 0.00 O ATOM 1530 CB ARG A 103 -16.266 15.830 3.808 1.00 0.00 C ATOM 1531 CG ARG A 103 -17.160 16.710 4.714 1.00 0.00 C ATOM 1532 CD ARG A 103 -17.710 15.911 5.909 1.00 0.00 C ATOM 1533 NE ARG A 103 -17.757 16.667 7.173 1.00 0.00 N ATOM 1534 CZ ARG A 103 -18.185 16.158 8.340 1.00 0.00 C ATOM 1535 NH1 ARG A 103 -18.717 14.936 8.409 1.00 0.00 N ATOM 1536 NH2 ARG A 103 -18.077 16.874 9.457 1.00 0.00 N ATOM 0 H ARG A 103 -13.872 14.182 4.044 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.541 16.992 3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -16.528 16.018 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -16.487 14.782 4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -16.585 17.562 5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -17.989 17.111 4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -18.715 15.565 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -17.094 15.024 6.053 1.00 0.00 H new ATOM 0 HE ARG A 103 -17.445 17.638 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -18.805 14.370 7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.036 14.568 9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -17.669 17.809 9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -18.402 16.488 10.344 1.00 0.00 H new ATOM 1779 N SER A 120 -10.614 13.393 -5.223 1.00 0.00 N ATOM 1780 CA SER A 120 -9.397 13.552 -6.017 1.00 0.00 C ATOM 1781 C SER A 120 -9.004 12.188 -6.600 1.00 0.00 C ATOM 1782 O SER A 120 -8.928 11.224 -5.838 1.00 0.00 O ATOM 1783 CB SER A 120 -8.253 14.092 -5.152 1.00 0.00 C ATOM 1784 OG SER A 120 -8.557 15.377 -4.658 1.00 0.00 O ATOM 0 HA SER A 120 -9.585 14.264 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 120 -8.069 13.412 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 120 -7.336 14.132 -5.739 1.00 0.00 H new ATOM 0 HG SER A 120 -9.528 15.471 -4.567 1.00 0.00 H new ATOM 1790 N PRO A 121 -8.761 12.057 -7.918 1.00 0.00 N ATOM 1791 CA PRO A 121 -8.378 10.783 -8.521 1.00 0.00 C ATOM 1792 C PRO A 121 -6.949 10.394 -8.116 1.00 0.00 C ATOM 1793 O PRO A 121 -6.076 11.259 -8.018 1.00 0.00 O ATOM 1794 CB PRO A 121 -8.503 11.001 -10.032 1.00 0.00 C ATOM 1795 CG PRO A 121 -8.226 12.495 -10.198 1.00 0.00 C ATOM 1796 CD PRO A 121 -8.817 13.105 -8.927 1.00 0.00 C ATOM 0 HA PRO A 121 -9.011 9.961 -8.187 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.786 10.395 -10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.495 10.733 -10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -7.159 12.699 -10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.700 12.895 -11.094 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.248 13.980 -8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.843 13.434 -9.092 1.00 0.00 H new ATOM 1804 N VAL A 122 -6.698 9.093 -7.926 1.00 0.00 N ATOM 1805 CA VAL A 122 -5.371 8.546 -7.638 1.00 0.00 C ATOM 1806 C VAL A 122 -5.222 7.162 -8.279 1.00 0.00 C ATOM 1807 O VAL A 122 -6.202 6.514 -8.651 1.00 0.00 O ATOM 1808 CB VAL A 122 -5.077 8.484 -6.115 1.00 0.00 C ATOM 1809 CG1 VAL A 122 -4.847 9.872 -5.502 1.00 0.00 C ATOM 1810 CG2 VAL A 122 -6.150 7.740 -5.307 1.00 0.00 C ATOM 0 H VAL A 122 -7.426 8.380 -7.969 1.00 0.00 H new ATOM 0 HA VAL A 122 -4.635 9.222 -8.073 1.00 0.00 H new ATOM 0 HB VAL A 122 -4.154 7.909 -6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.646 9.770 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -3.995 10.348 -5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -5.736 10.485 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.875 7.738 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.111 8.240 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.227 6.713 -5.664 1.00 0.00 H new ATOM 1820 N PHE A 123 -3.977 6.696 -8.374 1.00 0.00 N ATOM 1821 CA PHE A 123 -3.596 5.362 -8.813 1.00 0.00 C ATOM 1822 C PHE A 123 -2.330 4.950 -8.067 1.00 0.00 C ATOM 1823 O PHE A 123 -1.690 5.793 -7.437 1.00 0.00 O ATOM 1824 CB PHE A 123 -3.422 5.322 -10.341 1.00 0.00 C ATOM 1825 CG PHE A 123 -2.249 6.121 -10.887 1.00 0.00 C ATOM 1826 CD1 PHE A 123 -2.360 7.514 -11.071 1.00 0.00 C ATOM 1827 CD2 PHE A 123 -1.046 5.469 -11.222 1.00 0.00 C ATOM 1828 CE1 PHE A 123 -1.274 8.249 -11.579 1.00 0.00 C ATOM 1829 CE2 PHE A 123 0.038 6.204 -11.737 1.00 0.00 C ATOM 1830 CZ PHE A 123 -0.076 7.594 -11.914 1.00 0.00 C ATOM 0 H PHE A 123 -3.169 7.271 -8.134 1.00 0.00 H new ATOM 0 HA PHE A 123 -4.383 4.645 -8.579 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -3.306 4.283 -10.649 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -4.337 5.691 -10.803 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -3.282 8.018 -10.821 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -0.955 4.402 -11.083 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.360 9.317 -11.712 1.00 0.00 H new ATOM 0 HE2 PHE A 123 0.957 5.700 -11.996 1.00 0.00 H new ATOM 0 HZ PHE A 123 0.757 8.159 -12.307 1.00 0.00 H new ATOM 1840 N ALA A 124 -1.971 3.668 -8.092 1.00 0.00 N ATOM 1841 CA ALA A 124 -0.646 3.228 -7.693 1.00 0.00 C ATOM 1842 C ALA A 124 -0.289 1.919 -8.394 1.00 0.00 C ATOM 1843 O ALA A 124 -1.166 1.172 -8.830 1.00 0.00 O ATOM 1844 CB ALA A 124 -0.588 3.040 -6.169 1.00 0.00 C ATOM 0 H ALA A 124 -2.590 2.913 -8.388 1.00 0.00 H new ATOM 0 HA ALA A 124 0.077 3.991 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.410 2.710 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -0.814 3.986 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -1.319 2.290 -5.867 1.00 0.00 H new ATOM 1850 N GLY A 125 1.008 1.630 -8.438 1.00 0.00 N ATOM 1851 CA GLY A 125 1.546 0.296 -8.635 1.00 0.00 C ATOM 1852 C GLY A 125 2.156 -0.117 -7.298 1.00 0.00 C ATOM 1853 O GLY A 125 2.464 0.747 -6.474 1.00 0.00 O ATOM 0 H GLY A 125 1.732 2.341 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 125 0.763 -0.399 -8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 125 2.298 0.292 -9.424 1.00 0.00 H new ATOM 1857 N GLY A 126 2.339 -1.412 -7.056 1.00 0.00 N ATOM 1858 CA GLY A 126 2.863 -1.871 -5.782 1.00 0.00 C ATOM 1859 C GLY A 126 2.960 -3.383 -5.719 1.00 0.00 C ATOM 1860 O GLY A 126 2.708 -4.077 -6.705 1.00 0.00 O ATOM 0 H GLY A 126 2.132 -2.155 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.850 -1.437 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.221 -1.515 -4.976 1.00 0.00 H new ATOM 1864 N VAL A 127 3.311 -3.890 -4.540 1.00 0.00 N ATOM 1865 CA VAL A 127 3.320 -5.316 -4.248 1.00 0.00 C ATOM 1866 C VAL A 127 2.700 -5.542 -2.873 1.00 0.00 C ATOM 1867 O VAL A 127 2.903 -4.726 -1.970 1.00 0.00 O ATOM 1868 CB VAL A 127 4.751 -5.903 -4.330 1.00 0.00 C ATOM 1869 CG1 VAL A 127 5.315 -5.836 -5.758 1.00 0.00 C ATOM 1870 CG2 VAL A 127 5.758 -5.229 -3.379 1.00 0.00 C ATOM 0 H VAL A 127 3.601 -3.312 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 127 2.728 -5.840 -4.998 1.00 0.00 H new ATOM 0 HB VAL A 127 4.634 -6.941 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 127 6.320 -6.258 -5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.673 -6.406 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 127 5.353 -4.797 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 127 6.736 -5.695 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.831 -4.168 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.420 -5.346 -2.349 1.00 0.00 H new ATOM 1880 N GLU A 128 1.986 -6.661 -2.725 1.00 0.00 N ATOM 1881 CA GLU A 128 1.680 -7.301 -1.453 1.00 0.00 C ATOM 1882 C GLU A 128 2.601 -8.506 -1.312 1.00 0.00 C ATOM 1883 O GLU A 128 2.945 -9.130 -2.314 1.00 0.00 O ATOM 1884 CB GLU A 128 0.215 -7.787 -1.396 1.00 0.00 C ATOM 1885 CG GLU A 128 -0.640 -6.762 -0.654 1.00 0.00 C ATOM 1886 CD GLU A 128 -2.092 -7.151 -0.386 1.00 0.00 C ATOM 1887 OE1 GLU A 128 -2.595 -8.150 -0.957 1.00 0.00 O ATOM 1888 OE2 GLU A 128 -2.724 -6.386 0.378 1.00 0.00 O ATOM 0 H GLU A 128 1.592 -7.162 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 128 1.825 -6.580 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -0.169 -7.933 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.161 -8.752 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -0.162 -6.548 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -0.636 -5.835 -1.227 1.00 0.00 H new ATOM 1895 N TYR A 129 2.933 -8.873 -0.072 1.00 0.00 N ATOM 1896 CA TYR A 129 3.506 -10.167 0.282 1.00 0.00 C ATOM 1897 C TYR A 129 2.985 -10.585 1.659 1.00 0.00 C ATOM 1898 O TYR A 129 2.410 -9.765 2.383 1.00 0.00 O ATOM 1899 CB TYR A 129 5.039 -10.120 0.214 1.00 0.00 C ATOM 1900 CG TYR A 129 5.720 -9.147 1.160 1.00 0.00 C ATOM 1901 CD1 TYR A 129 5.841 -7.789 0.805 1.00 0.00 C ATOM 1902 CD2 TYR A 129 6.269 -9.607 2.372 1.00 0.00 C ATOM 1903 CE1 TYR A 129 6.508 -6.889 1.655 1.00 0.00 C ATOM 1904 CE2 TYR A 129 6.942 -8.714 3.226 1.00 0.00 C ATOM 1905 CZ TYR A 129 7.065 -7.352 2.870 1.00 0.00 C ATOM 1906 OH TYR A 129 7.707 -6.492 3.710 1.00 0.00 O ATOM 0 H TYR A 129 2.806 -8.259 0.733 1.00 0.00 H new ATOM 0 HA TYR A 129 3.194 -10.924 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 129 5.422 -11.120 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.330 -9.867 -0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.419 -7.437 -0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 129 6.173 -10.647 2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 129 6.595 -5.848 1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 129 7.365 -9.070 4.154 1.00 0.00 H new ATOM 0 HH TYR A 129 8.026 -6.981 4.497 1.00 0.00 H new ATOM 1916 N ALA A 130 3.161 -11.862 2.010 1.00 0.00 N ATOM 1917 CA ALA A 130 2.471 -12.556 3.084 1.00 0.00 C ATOM 1918 C ALA A 130 3.473 -13.297 3.974 1.00 0.00 C ATOM 1919 O ALA A 130 3.755 -14.476 3.771 1.00 0.00 O ATOM 1920 CB ALA A 130 1.439 -13.508 2.467 1.00 0.00 C ATOM 0 H ALA A 130 3.824 -12.465 1.523 1.00 0.00 H new ATOM 0 HA ALA A 130 1.951 -11.842 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 130 0.912 -14.037 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.724 -12.936 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 130 1.946 -14.228 1.826 1.00 0.00 H new ATOM 1926 N ILE A 131 3.985 -12.597 4.995 1.00 0.00 N ATOM 1927 CA ILE A 131 4.978 -13.103 5.955 1.00 0.00 C ATOM 1928 C ILE A 131 4.488 -14.404 6.629 1.00 0.00 C ATOM 1929 O ILE A 131 5.290 -15.272 6.966 1.00 0.00 O ATOM 1930 CB ILE A 131 5.330 -11.979 6.968 1.00 0.00 C ATOM 1931 CG1 ILE A 131 5.899 -10.730 6.243 1.00 0.00 C ATOM 1932 CG2 ILE A 131 6.334 -12.464 8.034 1.00 0.00 C ATOM 1933 CD1 ILE A 131 6.007 -9.482 7.130 1.00 0.00 C ATOM 0 H ILE A 131 3.712 -11.632 5.182 1.00 0.00 H new ATOM 0 HA ILE A 131 5.896 -13.373 5.433 1.00 0.00 H new ATOM 0 HB ILE A 131 4.402 -11.705 7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 131 6.887 -10.970 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 131 5.264 -10.500 5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.555 -11.649 8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.904 -13.300 8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 131 7.254 -12.786 7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 131 6.413 -8.655 6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 131 5.018 -9.213 7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 131 6.667 -9.690 7.972 1.00 0.00 H new ATOM 1945 N THR A 132 3.171 -14.566 6.778 1.00 0.00 N ATOM 1946 CA THR A 132 2.484 -15.835 6.974 1.00 0.00 C ATOM 1947 C THR A 132 1.180 -15.703 6.166 1.00 0.00 C ATOM 1948 O THR A 132 0.665 -14.584 6.080 1.00 0.00 O ATOM 1949 CB THR A 132 2.300 -16.121 8.482 1.00 0.00 C ATOM 1950 OG1 THR A 132 1.570 -17.310 8.681 1.00 0.00 O ATOM 1951 CG2 THR A 132 1.598 -15.015 9.279 1.00 0.00 C ATOM 0 H THR A 132 2.528 -13.774 6.764 1.00 0.00 H new ATOM 0 HA THR A 132 3.039 -16.703 6.619 1.00 0.00 H new ATOM 0 HB THR A 132 3.321 -16.196 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 132 1.466 -17.473 9.642 1.00 0.00 H new ATOM 0 HG21 THR A 132 1.519 -15.314 10.324 1.00 0.00 H new ATOM 0 HG22 THR A 132 2.175 -14.093 9.208 1.00 0.00 H new ATOM 0 HG23 THR A 132 0.600 -14.851 8.872 1.00 0.00 H new ATOM 1959 N PRO A 133 0.632 -16.770 5.548 1.00 0.00 N ATOM 1960 CA PRO A 133 -0.445 -16.642 4.564 1.00 0.00 C ATOM 1961 C PRO A 133 -1.757 -16.062 5.113 1.00 0.00 C ATOM 1962 O PRO A 133 -2.576 -15.594 4.319 1.00 0.00 O ATOM 1963 CB PRO A 133 -0.635 -18.035 3.951 1.00 0.00 C ATOM 1964 CG PRO A 133 -0.003 -18.978 4.973 1.00 0.00 C ATOM 1965 CD PRO A 133 1.130 -18.137 5.553 1.00 0.00 C ATOM 0 HA PRO A 133 -0.156 -15.906 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.690 -18.263 3.797 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.147 -18.114 2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -0.716 -19.280 5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 133 0.368 -19.890 4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 133 1.383 -18.460 6.563 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.035 -18.228 4.953 1.00 0.00 H new ATOM 1973 N GLU A 134 -1.947 -16.015 6.437 1.00 0.00 N ATOM 1974 CA GLU A 134 -3.044 -15.273 7.052 1.00 0.00 C ATOM 1975 C GLU A 134 -2.949 -13.775 6.722 1.00 0.00 C ATOM 1976 O GLU A 134 -3.972 -13.150 6.430 1.00 0.00 O ATOM 1977 CB GLU A 134 -3.030 -15.515 8.574 1.00 0.00 C ATOM 1978 CG GLU A 134 -4.181 -14.779 9.277 1.00 0.00 C ATOM 1979 CD GLU A 134 -4.241 -15.038 10.785 1.00 0.00 C ATOM 1980 OE1 GLU A 134 -4.388 -16.219 11.174 1.00 0.00 O ATOM 1981 OE2 GLU A 134 -4.240 -14.035 11.537 1.00 0.00 O ATOM 0 H GLU A 134 -1.343 -16.491 7.108 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.991 -15.630 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.106 -16.584 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -2.078 -15.181 8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.076 -13.708 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.126 -15.084 8.826 1.00 0.00 H new ATOM 1988 N ILE A 135 -1.737 -13.202 6.762 1.00 0.00 N ATOM 1989 CA ILE A 135 -1.512 -11.759 6.788 1.00 0.00 C ATOM 1990 C ILE A 135 -0.895 -11.272 5.476 1.00 0.00 C ATOM 1991 O ILE A 135 -0.355 -12.055 4.692 1.00 0.00 O ATOM 1992 CB ILE A 135 -0.703 -11.320 8.036 1.00 0.00 C ATOM 1993 CG1 ILE A 135 0.809 -11.620 7.920 1.00 0.00 C ATOM 1994 CG2 ILE A 135 -1.311 -11.924 9.318 1.00 0.00 C ATOM 1995 CD1 ILE A 135 1.628 -11.102 9.109 1.00 0.00 C ATOM 0 H ILE A 135 -0.873 -13.744 6.777 1.00 0.00 H new ATOM 0 HA ILE A 135 -2.483 -11.272 6.877 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.781 -10.234 8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.952 -12.697 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.191 -11.172 7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.729 -11.604 10.182 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -2.341 -11.584 9.428 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -1.294 -13.012 9.251 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.680 -11.347 8.961 1.00 0.00 H new ATOM 0 HD12 ILE A 135 1.515 -10.021 9.185 1.00 0.00 H new ATOM 0 HD13 ILE A 135 1.272 -11.570 10.027 1.00 0.00 H new ATOM 2007 N ALA A 136 -0.946 -9.962 5.242 1.00 0.00 N ATOM 2008 CA ALA A 136 -0.311 -9.310 4.121 1.00 0.00 C ATOM 2009 C ALA A 136 0.351 -8.039 4.628 1.00 0.00 C ATOM 2010 O ALA A 136 -0.069 -7.473 5.639 1.00 0.00 O ATOM 2011 CB ALA A 136 -1.366 -8.966 3.063 1.00 0.00 C ATOM 0 H ALA A 136 -1.447 -9.315 5.851 1.00 0.00 H new ATOM 0 HA ALA A 136 0.434 -9.965 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -0.886 -8.474 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -1.852 -9.881 2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.111 -8.299 3.496 1.00 0.00 H new ATOM 2017 N THR A 137 1.324 -7.543 3.877 1.00 0.00 N ATOM 2018 CA THR A 137 1.756 -6.161 3.943 1.00 0.00 C ATOM 2019 C THR A 137 2.061 -5.727 2.514 1.00 0.00 C ATOM 2020 O THR A 137 2.365 -6.573 1.666 1.00 0.00 O ATOM 2021 CB THR A 137 2.912 -5.988 4.948 1.00 0.00 C ATOM 2022 OG1 THR A 137 3.294 -4.631 5.055 1.00 0.00 O ATOM 2023 CG2 THR A 137 4.156 -6.809 4.593 1.00 0.00 C ATOM 0 H THR A 137 1.840 -8.100 3.196 1.00 0.00 H new ATOM 0 HA THR A 137 0.983 -5.501 4.336 1.00 0.00 H new ATOM 0 HB THR A 137 2.522 -6.354 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 137 2.519 -4.093 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.930 -6.640 5.342 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.899 -7.868 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 137 4.526 -6.504 3.614 1.00 0.00 H new ATOM 2031 N ARG A 138 1.930 -4.424 2.242 1.00 0.00 N ATOM 2032 CA ARG A 138 2.075 -3.873 0.904 1.00 0.00 C ATOM 2033 C ARG A 138 2.916 -2.618 0.919 1.00 0.00 C ATOM 2034 O ARG A 138 2.928 -1.907 1.926 1.00 0.00 O ATOM 2035 CB ARG A 138 0.700 -3.630 0.257 1.00 0.00 C ATOM 2036 CG ARG A 138 -0.096 -2.412 0.751 1.00 0.00 C ATOM 2037 CD ARG A 138 -1.526 -2.431 0.182 1.00 0.00 C ATOM 2038 NE ARG A 138 -2.312 -3.548 0.739 1.00 0.00 N ATOM 2039 CZ ARG A 138 -2.902 -3.603 1.937 1.00 0.00 C ATOM 2040 NH1 ARG A 138 -2.979 -2.535 2.733 1.00 0.00 N ATOM 2041 NH2 ARG A 138 -3.398 -4.765 2.331 1.00 0.00 N ATOM 0 H ARG A 138 1.719 -3.724 2.953 1.00 0.00 H new ATOM 0 HA ARG A 138 2.600 -4.606 0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 138 0.845 -3.527 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 138 0.090 -4.520 0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -0.132 -2.412 1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 138 0.409 -1.494 0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -2.022 -1.487 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -1.486 -2.518 -0.904 1.00 0.00 H new ATOM 0 HE ARG A 138 -2.417 -4.370 0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -2.581 -1.645 2.432 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -3.436 -2.608 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -3.323 -5.583 1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -3.855 -4.843 3.240 1.00 0.00 H new ATOM 2055 N LEU A 139 3.554 -2.339 -0.220 1.00 0.00 N ATOM 2056 CA LEU A 139 4.247 -1.093 -0.512 1.00 0.00 C ATOM 2057 C LEU A 139 3.853 -0.692 -1.930 1.00 0.00 C ATOM 2058 O LEU A 139 3.770 -1.551 -2.813 1.00 0.00 O ATOM 2059 CB LEU A 139 5.776 -1.234 -0.395 1.00 0.00 C ATOM 2060 CG LEU A 139 6.297 -1.407 1.050 1.00 0.00 C ATOM 2061 CD1 LEU A 139 6.431 -2.883 1.456 1.00 0.00 C ATOM 2062 CD2 LEU A 139 7.674 -0.745 1.198 1.00 0.00 C ATOM 0 H LEU A 139 3.601 -3.005 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 139 3.960 -0.332 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 139 6.095 -2.091 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 139 6.244 -0.352 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 139 5.563 -0.933 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 139 6.801 -2.947 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 139 5.457 -3.368 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 139 7.131 -3.383 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 139 8.031 -0.873 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 139 8.377 -1.210 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 139 7.593 0.318 0.973 1.00 0.00 H new ATOM 2074 N GLU A 140 3.576 0.598 -2.128 1.00 0.00 N ATOM 2075 CA GLU A 140 2.879 1.130 -3.289 1.00 0.00 C ATOM 2076 C GLU A 140 3.453 2.504 -3.655 1.00 0.00 C ATOM 2077 O GLU A 140 3.958 3.223 -2.789 1.00 0.00 O ATOM 2078 CB GLU A 140 1.389 1.307 -2.956 1.00 0.00 C ATOM 2079 CG GLU A 140 0.675 0.099 -2.324 1.00 0.00 C ATOM 2080 CD GLU A 140 -0.737 0.480 -1.882 1.00 0.00 C ATOM 2081 OE1 GLU A 140 -0.871 1.390 -1.028 1.00 0.00 O ATOM 2082 OE2 GLU A 140 -1.706 -0.115 -2.399 1.00 0.00 O ATOM 0 H GLU A 140 3.842 1.321 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 140 3.003 0.437 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 140 1.290 2.154 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.864 1.571 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.629 -0.720 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 140 1.246 -0.260 -1.468 1.00 0.00 H new ATOM 2089 N TYR A 141 3.335 2.886 -4.929 1.00 0.00 N ATOM 2090 CA TYR A 141 3.929 4.085 -5.506 1.00 0.00 C ATOM 2091 C TYR A 141 3.082 4.602 -6.674 1.00 0.00 C ATOM 2092 O TYR A 141 2.521 3.824 -7.447 1.00 0.00 O ATOM 2093 CB TYR A 141 5.369 3.771 -5.959 1.00 0.00 C ATOM 2094 CG TYR A 141 5.565 2.387 -6.566 1.00 0.00 C ATOM 2095 CD1 TYR A 141 5.232 2.139 -7.912 1.00 0.00 C ATOM 2096 CD2 TYR A 141 6.022 1.330 -5.753 1.00 0.00 C ATOM 2097 CE1 TYR A 141 5.336 0.839 -8.442 1.00 0.00 C ATOM 2098 CE2 TYR A 141 6.128 0.030 -6.273 1.00 0.00 C ATOM 2099 CZ TYR A 141 5.776 -0.224 -7.618 1.00 0.00 C ATOM 2100 OH TYR A 141 5.852 -1.496 -8.099 1.00 0.00 O ATOM 0 H TYR A 141 2.802 2.345 -5.610 1.00 0.00 H new ATOM 0 HA TYR A 141 3.959 4.872 -4.752 1.00 0.00 H new ATOM 0 HB2 TYR A 141 5.675 4.519 -6.690 1.00 0.00 H new ATOM 0 HB3 TYR A 141 6.034 3.873 -5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 141 4.895 2.950 -8.540 1.00 0.00 H new ATOM 0 HD2 TYR A 141 6.292 1.521 -4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 141 5.081 0.653 -9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 141 6.479 -0.776 -5.645 1.00 0.00 H new ATOM 0 HH TYR A 141 6.175 -2.094 -7.393 1.00 0.00 H new ATOM 2110 N GLN A 142 3.050 5.927 -6.825 1.00 0.00 N ATOM 2111 CA GLN A 142 2.432 6.689 -7.898 1.00 0.00 C ATOM 2112 C GLN A 142 3.480 7.706 -8.349 1.00 0.00 C ATOM 2113 O GLN A 142 3.876 8.563 -7.559 1.00 0.00 O ATOM 2114 CB GLN A 142 1.167 7.394 -7.373 1.00 0.00 C ATOM 2115 CG GLN A 142 0.311 8.011 -8.497 1.00 0.00 C ATOM 2116 CD GLN A 142 -0.820 8.909 -7.980 1.00 0.00 C ATOM 2117 OE1 GLN A 142 -0.988 10.045 -8.421 1.00 0.00 O ATOM 2118 NE2 GLN A 142 -1.610 8.448 -7.024 1.00 0.00 N ATOM 0 H GLN A 142 3.494 6.540 -6.141 1.00 0.00 H new ATOM 0 HA GLN A 142 2.125 6.054 -8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 142 0.563 6.678 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 142 1.458 8.178 -6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 142 0.955 8.594 -9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -0.118 7.209 -9.098 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -1.471 7.506 -6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -2.358 9.034 -6.653 1.00 0.00 H new ATOM 2127 N PHE A 143 3.953 7.598 -9.592 1.00 0.00 N ATOM 2128 CA PHE A 143 4.764 8.640 -10.215 1.00 0.00 C ATOM 2129 C PHE A 143 3.838 9.708 -10.816 1.00 0.00 C ATOM 2130 O PHE A 143 2.649 9.448 -11.008 1.00 0.00 O ATOM 2131 CB PHE A 143 5.682 8.013 -11.277 1.00 0.00 C ATOM 2132 CG PHE A 143 6.596 9.018 -11.955 1.00 0.00 C ATOM 2133 CD1 PHE A 143 7.629 9.635 -11.222 1.00 0.00 C ATOM 2134 CD2 PHE A 143 6.350 9.418 -13.284 1.00 0.00 C ATOM 2135 CE1 PHE A 143 8.405 10.648 -11.810 1.00 0.00 C ATOM 2136 CE2 PHE A 143 7.124 10.434 -13.869 1.00 0.00 C ATOM 2137 CZ PHE A 143 8.150 11.050 -13.133 1.00 0.00 C ATOM 0 H PHE A 143 3.785 6.789 -10.191 1.00 0.00 H new ATOM 0 HA PHE A 143 5.400 9.123 -9.473 1.00 0.00 H new ATOM 0 HB2 PHE A 143 6.290 7.238 -10.809 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.068 7.523 -12.033 1.00 0.00 H new ATOM 0 HD1 PHE A 143 7.825 9.328 -10.205 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.565 8.943 -13.854 1.00 0.00 H new ATOM 0 HE1 PHE A 143 9.197 11.118 -11.246 1.00 0.00 H new ATOM 0 HE2 PHE A 143 6.930 10.742 -14.886 1.00 0.00 H new ATOM 0 HZ PHE A 143 8.743 11.832 -13.583 1.00 0.00 H new ATOM 2372 N GLY A 160 5.184 12.748 -7.121 1.00 0.00 N ATOM 2373 CA GLY A 160 4.698 11.407 -6.848 1.00 0.00 C ATOM 2374 C GLY A 160 4.066 11.287 -5.465 1.00 0.00 C ATOM 2375 O GLY A 160 4.069 12.231 -4.668 1.00 0.00 O ATOM 0 HA2 GLY A 160 3.965 11.128 -7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 160 5.524 10.701 -6.929 1.00 0.00 H new ATOM 2379 N MET A 161 3.532 10.101 -5.183 1.00 0.00 N ATOM 2380 CA MET A 161 2.949 9.690 -3.912 1.00 0.00 C ATOM 2381 C MET A 161 3.339 8.226 -3.686 1.00 0.00 C ATOM 2382 O MET A 161 3.622 7.504 -4.642 1.00 0.00 O ATOM 2383 CB MET A 161 1.422 9.901 -3.979 1.00 0.00 C ATOM 2384 CG MET A 161 0.644 9.464 -2.733 1.00 0.00 C ATOM 2385 SD MET A 161 -1.148 9.685 -2.873 1.00 0.00 S ATOM 2386 CE MET A 161 -1.648 9.042 -1.255 1.00 0.00 C ATOM 0 H MET A 161 3.493 9.357 -5.880 1.00 0.00 H new ATOM 0 HA MET A 161 3.316 10.278 -3.071 1.00 0.00 H new ATOM 0 HB2 MET A 161 1.226 10.958 -4.157 1.00 0.00 H new ATOM 0 HB3 MET A 161 1.034 9.355 -4.839 1.00 0.00 H new ATOM 0 HG2 MET A 161 0.856 8.414 -2.534 1.00 0.00 H new ATOM 0 HG3 MET A 161 1.004 10.031 -1.874 1.00 0.00 H new ATOM 0 HE1 MET A 161 -2.732 9.099 -1.160 1.00 0.00 H new ATOM 0 HE2 MET A 161 -1.330 8.004 -1.162 1.00 0.00 H new ATOM 0 HE3 MET A 161 -1.183 9.636 -0.468 1.00 0.00 H new ATOM 2396 N LEU A 162 3.352 7.776 -2.431 1.00 0.00 N ATOM 2397 CA LEU A 162 3.542 6.382 -2.054 1.00 0.00 C ATOM 2398 C LEU A 162 2.503 6.012 -1.000 1.00 0.00 C ATOM 2399 O LEU A 162 1.945 6.891 -0.335 1.00 0.00 O ATOM 2400 CB LEU A 162 4.969 6.130 -1.522 1.00 0.00 C ATOM 2401 CG LEU A 162 6.076 6.213 -2.596 1.00 0.00 C ATOM 2402 CD1 LEU A 162 6.722 7.606 -2.658 1.00 0.00 C ATOM 2403 CD2 LEU A 162 7.176 5.180 -2.315 1.00 0.00 C ATOM 0 H LEU A 162 3.227 8.392 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 162 3.414 5.755 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 162 5.185 6.857 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 162 5.002 5.144 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 162 5.596 6.008 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 162 7.494 7.615 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 162 5.962 8.349 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 162 7.169 7.843 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 162 7.948 5.253 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 162 7.616 5.374 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.746 4.178 -2.327 1.00 0.00 H new ATOM 2415 N SER A 163 2.281 4.711 -0.815 1.00 0.00 N ATOM 2416 CA SER A 163 1.540 4.188 0.322 1.00 0.00 C ATOM 2417 C SER A 163 2.085 2.822 0.730 1.00 0.00 C ATOM 2418 O SER A 163 2.893 2.217 0.023 1.00 0.00 O ATOM 2419 CB SER A 163 0.019 4.212 0.060 1.00 0.00 C ATOM 2420 OG SER A 163 -0.367 3.705 -1.199 1.00 0.00 O ATOM 0 H SER A 163 2.614 3.990 -1.455 1.00 0.00 H new ATOM 0 HA SER A 163 1.689 4.841 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 163 -0.480 3.635 0.838 1.00 0.00 H new ATOM 0 HB3 SER A 163 -0.336 5.239 0.148 1.00 0.00 H new ATOM 0 HG SER A 163 -0.919 2.905 -1.074 1.00 0.00 H new ATOM 2426 N LEU A 164 1.687 2.366 1.917 1.00 0.00 N ATOM 2427 CA LEU A 164 2.013 1.056 2.454 1.00 0.00 C ATOM 2428 C LEU A 164 0.875 0.601 3.360 1.00 0.00 C ATOM 2429 O LEU A 164 0.020 1.402 3.749 1.00 0.00 O ATOM 2430 CB LEU A 164 3.389 1.078 3.156 1.00 0.00 C ATOM 2431 CG LEU A 164 3.543 2.016 4.375 1.00 0.00 C ATOM 2432 CD1 LEU A 164 3.004 1.406 5.680 1.00 0.00 C ATOM 2433 CD2 LEU A 164 5.031 2.336 4.581 1.00 0.00 C ATOM 0 H LEU A 164 1.110 2.921 2.548 1.00 0.00 H new ATOM 0 HA LEU A 164 2.108 0.326 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 164 3.620 0.063 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 164 4.141 1.357 2.418 1.00 0.00 H new ATOM 0 HG LEU A 164 2.959 2.910 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 164 3.142 2.114 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 164 1.943 1.185 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 164 3.545 0.486 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 164 5.145 2.997 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.581 1.412 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.424 2.826 3.690 1.00 0.00 H new ATOM 2445 N GLY A 165 0.857 -0.685 3.706 1.00 0.00 N ATOM 2446 CA GLY A 165 -0.168 -1.220 4.589 1.00 0.00 C ATOM 2447 C GLY A 165 0.182 -2.583 5.163 1.00 0.00 C ATOM 2448 O GLY A 165 1.188 -3.192 4.788 1.00 0.00 O ATOM 0 H GLY A 165 1.541 -1.372 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -0.333 -0.520 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -1.107 -1.295 4.040 1.00 0.00 H new ATOM 2452 N VAL A 166 -0.686 -3.061 6.056 1.00 0.00 N ATOM 2453 CA VAL A 166 -0.682 -4.399 6.649 1.00 0.00 C ATOM 2454 C VAL A 166 -2.132 -4.884 6.587 1.00 0.00 C ATOM 2455 O VAL A 166 -3.050 -4.063 6.661 1.00 0.00 O ATOM 2456 CB VAL A 166 -0.135 -4.351 8.096 1.00 0.00 C ATOM 2457 CG1 VAL A 166 -0.084 -5.749 8.733 1.00 0.00 C ATOM 2458 CG2 VAL A 166 1.279 -3.750 8.163 1.00 0.00 C ATOM 0 H VAL A 166 -1.456 -2.491 6.405 1.00 0.00 H new ATOM 0 HA VAL A 166 -0.028 -5.087 6.113 1.00 0.00 H new ATOM 0 HB VAL A 166 -0.828 -3.715 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 166 0.306 -5.672 9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -1.088 -6.173 8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 166 0.566 -6.394 8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 166 1.620 -3.737 9.198 1.00 0.00 H new ATOM 0 HG22 VAL A 166 1.960 -4.354 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 166 1.260 -2.732 7.775 1.00 0.00 H new ATOM 2468 N SER A 167 -2.408 -6.177 6.407 1.00 0.00 N ATOM 2469 CA SER A 167 -3.777 -6.688 6.402 1.00 0.00 C ATOM 2470 C SER A 167 -3.793 -8.163 6.756 1.00 0.00 C ATOM 2471 O SER A 167 -2.732 -8.766 6.901 1.00 0.00 O ATOM 2472 CB SER A 167 -4.430 -6.426 5.036 1.00 0.00 C ATOM 2473 OG SER A 167 -4.560 -5.029 4.827 1.00 0.00 O ATOM 0 H SER A 167 -1.695 -6.892 6.262 1.00 0.00 H new ATOM 0 HA SER A 167 -4.359 -6.163 7.159 1.00 0.00 H new ATOM 0 HB2 SER A 167 -3.826 -6.867 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 167 -5.409 -6.902 4.993 1.00 0.00 H new ATOM 0 HG SER A 167 -4.327 -4.552 5.651 1.00 0.00 H new ATOM 2479 N TYR A 168 -4.985 -8.744 6.894 1.00 0.00 N ATOM 2480 CA TYR A 168 -5.160 -10.182 6.939 1.00 0.00 C ATOM 2481 C TYR A 168 -6.448 -10.608 6.238 1.00 0.00 C ATOM 2482 O TYR A 168 -7.287 -9.770 5.894 1.00 0.00 O ATOM 2483 CB TYR A 168 -5.045 -10.688 8.381 1.00 0.00 C ATOM 2484 CG TYR A 168 -6.153 -10.295 9.333 1.00 0.00 C ATOM 2485 CD1 TYR A 168 -7.310 -11.090 9.407 1.00 0.00 C ATOM 2486 CD2 TYR A 168 -5.978 -9.221 10.228 1.00 0.00 C ATOM 2487 CE1 TYR A 168 -8.266 -10.857 10.405 1.00 0.00 C ATOM 2488 CE2 TYR A 168 -6.924 -8.991 11.243 1.00 0.00 C ATOM 2489 CZ TYR A 168 -8.052 -9.834 11.353 1.00 0.00 C ATOM 2490 OH TYR A 168 -8.837 -9.787 12.461 1.00 0.00 O ATOM 0 H TYR A 168 -5.856 -8.221 6.978 1.00 0.00 H new ATOM 0 HA TYR A 168 -4.355 -10.658 6.379 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -4.989 -11.776 8.356 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -4.101 -10.330 8.792 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -7.463 -11.884 8.691 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -5.118 -8.575 10.135 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -9.162 -11.458 10.448 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -6.789 -8.173 11.935 1.00 0.00 H new ATOM 0 HH TYR A 168 -8.569 -9.028 13.020 1.00 0.00 H new ATOM 2500 N ARG A 169 -6.538 -11.915 5.980 1.00 0.00 N ATOM 2501 CA ARG A 169 -7.571 -12.604 5.208 1.00 0.00 C ATOM 2502 C ARG A 169 -8.498 -13.386 6.136 1.00 0.00 C ATOM 2503 O ARG A 169 -8.128 -13.719 7.264 1.00 0.00 O ATOM 2504 CB ARG A 169 -6.911 -13.568 4.207 1.00 0.00 C ATOM 2505 CG ARG A 169 -6.090 -12.854 3.118 1.00 0.00 C ATOM 2506 CD ARG A 169 -4.791 -13.618 2.836 1.00 0.00 C ATOM 2507 NE ARG A 169 -3.939 -12.887 1.881 1.00 0.00 N ATOM 2508 CZ ARG A 169 -2.615 -12.698 1.995 1.00 0.00 C ATOM 2509 NH1 ARG A 169 -1.929 -13.337 2.935 1.00 0.00 N ATOM 2510 NH2 ARG A 169 -1.978 -11.856 1.177 1.00 0.00 N ATOM 0 H ARG A 169 -5.837 -12.567 6.333 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.159 -11.861 4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -6.261 -14.254 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -7.684 -14.171 3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -6.678 -12.776 2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -5.859 -11.837 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -4.247 -13.772 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -5.026 -14.605 2.437 1.00 0.00 H new ATOM 0 HE ARG A 169 -4.396 -12.489 1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -2.408 -13.973 3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -0.923 -13.192 3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -2.498 -11.351 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -0.972 -11.718 1.270 1.00 0.00 H new ATOM 2524 N PHE A 170 -9.707 -13.695 5.655 1.00 0.00 N ATOM 2525 CA PHE A 170 -10.539 -14.717 6.283 1.00 0.00 C ATOM 2526 C PHE A 170 -9.755 -16.034 6.407 1.00 0.00 C ATOM 2527 O PHE A 170 -8.820 -16.285 5.644 1.00 0.00 O ATOM 2528 CB PHE A 170 -11.835 -14.917 5.485 1.00 0.00 C ATOM 2529 CG PHE A 170 -11.666 -15.459 4.074 1.00 0.00 C ATOM 2530 CD1 PHE A 170 -11.428 -14.582 2.998 1.00 0.00 C ATOM 2531 CD2 PHE A 170 -11.781 -16.842 3.826 1.00 0.00 C ATOM 2532 CE1 PHE A 170 -11.341 -15.077 1.685 1.00 0.00 C ATOM 2533 CE2 PHE A 170 -11.670 -17.339 2.514 1.00 0.00 C ATOM 2534 CZ PHE A 170 -11.458 -16.455 1.442 1.00 0.00 C ATOM 0 H PHE A 170 -10.126 -13.253 4.837 1.00 0.00 H new ATOM 0 HA PHE A 170 -10.811 -14.386 7.286 1.00 0.00 H new ATOM 0 HB2 PHE A 170 -12.480 -15.598 6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 170 -12.355 -13.961 5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 170 -11.312 -13.524 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 170 -11.955 -17.523 4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 170 -11.184 -14.396 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 170 -11.748 -18.400 2.331 1.00 0.00 H new ATOM 0 HZ PHE A 170 -11.385 -16.835 0.434 1.00 0.00 H new