USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 685 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 52 GLN : amide:sc= -4.59 K(o=-16,f=-16!) USER MOD Set 1.2: A 56 THR OG1 : rot 101:sc= -2.54 USER MOD Set 1.3: A 107 MET CE :methyl -141:sc= -8.66! (180deg=-6.31!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0376) USER MOD Single : A 14 ASN : amide:sc= -5.62! C(o=-5.6!,f=-7.3!) USER MOD Single : A 16 GLN : amide:sc= -1.15 K(o=-1.1,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -151:sc= 1.57 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= -0.0958 (180deg=-0.56) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.61 X(o=-1.6,f=-2!) USER MOD Single : A 45 SER OG : rot -138:sc= 1.39 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -2.29 X(o=-2.3,f=-2.6!) USER MOD Single : A 64 SER OG : rot 130:sc= -0.909 USER MOD Single : A 70 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.62) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.19) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 51:sc= -0.286! USER MOD Single : A 89 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.4!) USER MOD Single : A 104 CYS SG : rot 9:sc= 0.12 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -2.83 K(o=-2.8,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 0.953 -18.765 -1.081 1.00 0.00 N ATOM 82 CA THR A 7 -0.067 -17.892 -0.512 1.00 0.00 C ATOM 83 C THR A 7 -0.405 -16.755 -1.470 1.00 0.00 C ATOM 84 O THR A 7 -1.216 -15.885 -1.152 1.00 0.00 O ATOM 85 CB THR A 7 0.408 -17.321 0.828 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.694 -17.047 1.674 1.00 0.00 O ATOM 87 CG2 THR A 7 1.210 -16.042 0.691 1.00 0.00 C ATOM 0 HA THR A 7 -0.966 -18.485 -0.348 1.00 0.00 H new ATOM 0 HB THR A 7 1.054 -18.089 1.253 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.371 -16.685 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.513 -15.695 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.096 -16.231 0.085 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.598 -15.279 0.210 1.00 0.00 H new ATOM 95 N CYS A 8 0.229 -16.762 -2.638 1.00 0.00 N ATOM 96 CA CYS A 8 -0.002 -15.720 -3.629 1.00 0.00 C ATOM 97 C CYS A 8 -0.697 -16.271 -4.874 1.00 0.00 C ATOM 98 O CYS A 8 -0.044 -16.614 -5.860 1.00 0.00 O ATOM 99 CB CYS A 8 1.322 -15.056 -4.012 1.00 0.00 C ATOM 100 SG CYS A 8 2.470 -14.830 -2.614 1.00 0.00 S ATOM 0 H CYS A 8 0.903 -17.474 -2.920 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.662 -14.976 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.811 -15.659 -4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.113 -14.084 -4.458 1.00 0.00 H new ATOM 105 N PRO A 9 -2.041 -16.359 -4.843 1.00 0.00 N ATOM 106 CA PRO A 9 -2.824 -16.868 -5.972 1.00 0.00 C ATOM 107 C PRO A 9 -2.926 -15.862 -7.117 1.00 0.00 C ATOM 108 O PRO A 9 -2.268 -16.015 -8.147 1.00 0.00 O ATOM 109 CB PRO A 9 -4.200 -17.125 -5.356 1.00 0.00 C ATOM 110 CG PRO A 9 -4.298 -16.162 -4.224 1.00 0.00 C ATOM 111 CD PRO A 9 -2.898 -15.974 -3.703 1.00 0.00 C ATOM 0 HA PRO A 9 -2.368 -17.752 -6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.995 -16.962 -6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.292 -18.154 -5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.719 -15.213 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.955 -16.546 -3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.720 -14.942 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.709 -16.600 -2.831 1.00 0.00 H new ATOM 119 N GLU A 10 -3.757 -14.839 -6.936 1.00 0.00 N ATOM 120 CA GLU A 10 -3.946 -13.815 -7.960 1.00 0.00 C ATOM 121 C GLU A 10 -3.575 -12.430 -7.437 1.00 0.00 C ATOM 122 O GLU A 10 -2.483 -11.929 -7.704 1.00 0.00 O ATOM 123 CB GLU A 10 -5.397 -13.816 -8.451 1.00 0.00 C ATOM 124 CG GLU A 10 -6.214 -14.998 -7.953 1.00 0.00 C ATOM 125 CD GLU A 10 -7.706 -14.733 -7.992 1.00 0.00 C ATOM 126 OE1 GLU A 10 -8.151 -13.750 -7.362 1.00 0.00 O ATOM 127 OE2 GLU A 10 -8.431 -15.507 -8.652 1.00 0.00 O ATOM 0 H GLU A 10 -4.310 -14.697 -6.091 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.284 -14.052 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.879 -12.892 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.402 -13.817 -9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.988 -15.873 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.917 -15.235 -6.931 1.00 0.00 H new ATOM 134 N LYS A 11 -4.496 -11.815 -6.697 1.00 0.00 N ATOM 135 CA LYS A 11 -4.274 -10.482 -6.137 1.00 0.00 C ATOM 136 C LYS A 11 -2.933 -10.407 -5.415 1.00 0.00 C ATOM 137 O LYS A 11 -2.235 -9.398 -5.482 1.00 0.00 O ATOM 138 CB LYS A 11 -5.407 -10.113 -5.177 1.00 0.00 C ATOM 139 CG LYS A 11 -5.889 -11.277 -4.326 1.00 0.00 C ATOM 140 CD LYS A 11 -7.407 -11.365 -4.312 1.00 0.00 C ATOM 141 CE LYS A 11 -7.897 -12.354 -3.266 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.785 -11.805 -1.886 1.00 0.00 N ATOM 0 H LYS A 11 -5.405 -12.219 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.259 -9.769 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.069 -9.310 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.246 -9.723 -5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.473 -12.208 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.521 -11.161 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.828 -10.380 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.764 -11.668 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.936 -12.613 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.319 -13.275 -3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.237 -12.458 -1.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.781 -11.692 -1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.259 -10.880 -1.841 1.00 0.00 H new ATOM 156 N TRP A 12 -2.580 -11.486 -4.731 1.00 0.00 N ATOM 157 CA TRP A 12 -1.324 -11.560 -4.000 1.00 0.00 C ATOM 158 C TRP A 12 -0.140 -11.576 -4.962 1.00 0.00 C ATOM 159 O TRP A 12 -0.220 -12.149 -6.048 1.00 0.00 O ATOM 160 CB TRP A 12 -1.288 -12.812 -3.128 1.00 0.00 C ATOM 161 CG TRP A 12 -2.260 -12.794 -1.987 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.617 -12.666 -2.064 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.946 -12.917 -0.595 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.166 -12.701 -0.805 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.160 -12.853 0.113 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.756 -13.073 0.120 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.217 -12.942 1.502 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.814 -13.161 1.499 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.037 -13.096 2.177 1.00 0.00 C ATOM 0 H TRP A 12 -3.151 -12.329 -4.667 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.252 -10.677 -3.365 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.493 -13.682 -3.752 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.281 -12.936 -2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.177 -12.554 -2.981 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.160 -12.626 -0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.192 -13.124 -0.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.159 -12.891 2.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.100 -13.282 2.062 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.049 -13.169 3.254 1.00 0.00 H new ATOM 180 N ILE A 13 0.958 -10.950 -4.554 1.00 0.00 N ATOM 181 CA ILE A 13 2.161 -10.898 -5.378 1.00 0.00 C ATOM 182 C ILE A 13 3.416 -11.111 -4.533 1.00 0.00 C ATOM 183 O ILE A 13 3.636 -10.409 -3.550 1.00 0.00 O ATOM 184 CB ILE A 13 2.286 -9.550 -6.117 1.00 0.00 C ATOM 185 CG1 ILE A 13 0.973 -8.752 -6.036 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.694 -9.785 -7.559 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.051 -8.937 -7.230 1.00 0.00 C ATOM 0 H ILE A 13 1.040 -10.471 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 13 2.072 -11.700 -6.111 1.00 0.00 H new ATOM 0 HB ILE A 13 3.060 -8.957 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.439 -9.045 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.211 -7.693 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.780 -8.828 -8.073 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.655 -10.299 -7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.941 -10.397 -8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.850 -8.339 -7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.562 -8.616 -8.138 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.222 -9.989 -7.320 1.00 0.00 H new ATOM 199 N ASN A 14 4.240 -12.082 -4.925 1.00 0.00 N ATOM 200 CA ASN A 14 5.471 -12.383 -4.197 1.00 0.00 C ATOM 201 C ASN A 14 6.704 -11.980 -5.002 1.00 0.00 C ATOM 202 O ASN A 14 6.674 -11.955 -6.233 1.00 0.00 O ATOM 203 CB ASN A 14 5.524 -13.869 -3.831 1.00 0.00 C ATOM 204 CG ASN A 14 6.509 -14.161 -2.714 1.00 0.00 C ATOM 205 OD1 ASN A 14 6.116 -14.556 -1.616 1.00 0.00 O ATOM 206 ND2 ASN A 14 7.795 -13.969 -2.986 1.00 0.00 N ATOM 0 H ASN A 14 4.078 -12.672 -5.741 1.00 0.00 H new ATOM 0 HA ASN A 14 5.471 -11.798 -3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.530 -14.201 -3.530 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.799 -14.447 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.500 -14.150 -2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.077 -13.641 -3.909 1.00 0.00 H new ATOM 213 N PHE A 15 7.784 -11.649 -4.294 1.00 0.00 N ATOM 214 CA PHE A 15 9.024 -11.227 -4.932 1.00 0.00 C ATOM 215 C PHE A 15 10.208 -12.052 -4.426 1.00 0.00 C ATOM 216 O PHE A 15 10.167 -13.282 -4.445 1.00 0.00 O ATOM 217 CB PHE A 15 9.259 -9.738 -4.665 1.00 0.00 C ATOM 218 CG PHE A 15 8.007 -8.912 -4.733 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.529 -8.451 -5.949 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.308 -8.599 -3.580 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.375 -7.692 -6.012 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.155 -7.840 -3.636 1.00 0.00 C ATOM 223 CZ PHE A 15 5.687 -7.386 -4.854 1.00 0.00 C ATOM 0 H PHE A 15 7.822 -11.666 -3.275 1.00 0.00 H new ATOM 0 HA PHE A 15 8.937 -11.390 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.709 -9.620 -3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.977 -9.356 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.063 -8.687 -6.857 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.668 -8.952 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.012 -7.339 -6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.620 -7.602 -2.729 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.785 -6.793 -4.901 1.00 0.00 H new ATOM 233 N GLN A 16 11.262 -11.367 -3.976 1.00 0.00 N ATOM 234 CA GLN A 16 12.453 -12.037 -3.466 1.00 0.00 C ATOM 235 C GLN A 16 12.083 -13.109 -2.448 1.00 0.00 C ATOM 236 O GLN A 16 12.608 -14.222 -2.489 1.00 0.00 O ATOM 237 CB GLN A 16 13.405 -11.020 -2.833 1.00 0.00 C ATOM 238 CG GLN A 16 12.710 -10.018 -1.926 1.00 0.00 C ATOM 239 CD GLN A 16 12.909 -8.585 -2.381 1.00 0.00 C ATOM 240 OE1 GLN A 16 13.970 -7.997 -2.171 1.00 0.00 O ATOM 241 NE2 GLN A 16 11.887 -8.016 -3.008 1.00 0.00 N ATOM 0 H GLN A 16 11.312 -10.348 -3.956 1.00 0.00 H new ATOM 0 HA GLN A 16 12.954 -12.519 -4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.163 -11.553 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.926 -10.481 -3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.643 -10.241 -1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.089 -10.129 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.026 -8.541 -3.161 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.963 -7.054 -3.337 1.00 0.00 H new ATOM 250 N ARG A 17 11.174 -12.772 -1.535 1.00 0.00 N ATOM 251 CA ARG A 17 10.742 -13.719 -0.515 1.00 0.00 C ATOM 252 C ARG A 17 9.492 -13.232 0.211 1.00 0.00 C ATOM 253 O ARG A 17 8.979 -13.914 1.099 1.00 0.00 O ATOM 254 CB ARG A 17 11.866 -13.971 0.491 1.00 0.00 C ATOM 255 CG ARG A 17 12.502 -12.696 1.022 1.00 0.00 C ATOM 256 CD ARG A 17 12.873 -12.828 2.491 1.00 0.00 C ATOM 257 NE ARG A 17 13.948 -11.914 2.869 1.00 0.00 N ATOM 258 CZ ARG A 17 13.742 -10.676 3.310 1.00 0.00 C ATOM 259 NH1 ARG A 17 12.507 -10.208 3.431 1.00 0.00 N ATOM 260 NH2 ARG A 17 14.773 -9.907 3.631 1.00 0.00 N ATOM 0 H ARG A 17 10.727 -11.857 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 17 10.496 -14.654 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.471 -14.547 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.635 -14.582 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.394 -12.463 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.811 -11.863 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.995 -12.629 3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.180 -13.853 2.696 1.00 0.00 H new ATOM 0 HE ARG A 17 14.910 -12.243 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.712 -10.798 3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.352 -9.258 3.769 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.724 -10.265 3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.615 -8.958 3.969 1.00 0.00 H new ATOM 274 N LYS A 18 8.997 -12.062 -0.172 1.00 0.00 N ATOM 275 CA LYS A 18 7.803 -11.510 0.441 1.00 0.00 C ATOM 276 C LYS A 18 6.671 -11.453 -0.561 1.00 0.00 C ATOM 277 O LYS A 18 6.889 -11.445 -1.767 1.00 0.00 O ATOM 278 CB LYS A 18 8.044 -10.112 0.996 1.00 0.00 C ATOM 279 CG LYS A 18 8.311 -9.077 -0.078 1.00 0.00 C ATOM 280 CD LYS A 18 9.679 -8.443 0.096 1.00 0.00 C ATOM 281 CE LYS A 18 9.572 -7.041 0.675 1.00 0.00 C ATOM 282 NZ LYS A 18 10.910 -6.438 0.922 1.00 0.00 N ATOM 0 H LYS A 18 9.405 -11.480 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 18 7.536 -12.169 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.175 -9.805 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.892 -10.142 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.247 -9.544 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.542 -8.305 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.288 -9.064 0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.188 -8.403 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.009 -6.407 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.012 -7.076 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.793 -5.483 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.438 -7.029 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.436 -6.381 0.026 1.00 0.00 H new ATOM 296 N CYS A 19 5.469 -11.402 -0.042 1.00 0.00 N ATOM 297 CA CYS A 19 4.282 -11.332 -0.871 1.00 0.00 C ATOM 298 C CYS A 19 3.433 -10.136 -0.473 1.00 0.00 C ATOM 299 O CYS A 19 3.646 -9.534 0.578 1.00 0.00 O ATOM 300 CB CYS A 19 3.475 -12.631 -0.774 1.00 0.00 C ATOM 301 SG CYS A 19 2.271 -12.869 -2.123 1.00 0.00 S ATOM 0 H CYS A 19 5.282 -11.408 0.961 1.00 0.00 H new ATOM 0 HA CYS A 19 4.590 -11.206 -1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.166 -13.474 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.944 -12.645 0.178 1.00 0.00 H new ATOM 306 N TYR A 20 2.478 -9.792 -1.322 1.00 0.00 N ATOM 307 CA TYR A 20 1.600 -8.661 -1.072 1.00 0.00 C ATOM 308 C TYR A 20 0.151 -9.107 -1.114 1.00 0.00 C ATOM 309 O TYR A 20 -0.267 -9.791 -2.043 1.00 0.00 O ATOM 310 CB TYR A 20 1.810 -7.572 -2.134 1.00 0.00 C ATOM 311 CG TYR A 20 2.995 -6.656 -1.901 1.00 0.00 C ATOM 312 CD1 TYR A 20 3.999 -6.972 -0.993 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.100 -5.462 -2.603 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.073 -6.123 -0.794 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.168 -4.611 -2.410 1.00 0.00 C ATOM 316 CZ TYR A 20 5.152 -4.943 -1.504 1.00 0.00 C ATOM 317 OH TYR A 20 6.218 -4.097 -1.308 1.00 0.00 O ATOM 0 H TYR A 20 2.291 -10.284 -2.196 1.00 0.00 H new ATOM 0 HA TYR A 20 1.837 -8.260 -0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.930 -8.053 -3.105 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.907 -6.963 -2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.940 -7.894 -0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.331 -5.195 -3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.846 -6.383 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.233 -3.688 -2.967 1.00 0.00 H new ATOM 0 HH TYR A 20 6.123 -3.311 -1.886 1.00 0.00 H new ATOM 327 N TYR A 21 -0.613 -8.705 -0.115 1.00 0.00 N ATOM 328 CA TYR A 21 -2.019 -9.054 -0.053 1.00 0.00 C ATOM 329 C TYR A 21 -2.844 -7.886 -0.573 1.00 0.00 C ATOM 330 O TYR A 21 -2.926 -6.833 0.056 1.00 0.00 O ATOM 331 CB TYR A 21 -2.401 -9.399 1.390 1.00 0.00 C ATOM 332 CG TYR A 21 -3.890 -9.440 1.656 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.776 -9.961 0.721 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.404 -8.962 2.852 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.132 -10.001 0.971 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.758 -9.000 3.112 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.620 -9.520 2.168 1.00 0.00 C ATOM 338 OH TYR A 21 -7.972 -9.562 2.422 1.00 0.00 O ATOM 0 H TYR A 21 -0.283 -8.136 0.665 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.218 -9.927 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.973 -10.369 1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.946 -8.667 2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.397 -10.341 -0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.733 -8.553 3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.808 -10.407 0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.142 -8.625 4.049 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.215 -8.825 3.021 1.00 0.00 H new ATOM 348 N PHE A 22 -3.432 -8.082 -1.743 1.00 0.00 N ATOM 349 CA PHE A 22 -4.231 -7.055 -2.389 1.00 0.00 C ATOM 350 C PHE A 22 -5.716 -7.265 -2.104 1.00 0.00 C ATOM 351 O PHE A 22 -6.265 -8.329 -2.389 1.00 0.00 O ATOM 352 CB PHE A 22 -3.951 -7.091 -3.896 1.00 0.00 C ATOM 353 CG PHE A 22 -2.589 -6.560 -4.284 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.670 -6.176 -3.318 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.226 -6.450 -5.621 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.424 -5.694 -3.672 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.977 -5.970 -5.981 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.074 -5.592 -5.002 1.00 0.00 C ATOM 0 H PHE A 22 -3.369 -8.954 -2.269 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.960 -6.076 -1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.042 -8.119 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.716 -6.510 -4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.932 -6.255 -2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.926 -6.742 -6.389 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.277 -5.397 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.708 -5.891 -7.024 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.901 -5.219 -5.279 1.00 0.00 H new ATOM 368 N GLY A 23 -6.360 -6.251 -1.525 1.00 0.00 N ATOM 369 CA GLY A 23 -7.771 -6.361 -1.199 1.00 0.00 C ATOM 370 C GLY A 23 -8.577 -5.138 -1.582 1.00 0.00 C ATOM 371 O GLY A 23 -8.032 -4.146 -2.063 1.00 0.00 O ATOM 0 H GLY A 23 -5.930 -5.360 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.186 -7.233 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.876 -6.535 -0.128 1.00 0.00 H new ATOM 375 N LYS A 24 -9.887 -5.219 -1.361 1.00 0.00 N ATOM 376 CA LYS A 24 -10.794 -4.124 -1.675 1.00 0.00 C ATOM 377 C LYS A 24 -11.710 -3.821 -0.493 1.00 0.00 C ATOM 378 O LYS A 24 -11.855 -4.638 0.417 1.00 0.00 O ATOM 379 CB LYS A 24 -11.631 -4.464 -2.909 1.00 0.00 C ATOM 380 CG LYS A 24 -10.871 -4.320 -4.218 1.00 0.00 C ATOM 381 CD LYS A 24 -11.494 -5.163 -5.319 1.00 0.00 C ATOM 382 CE LYS A 24 -11.096 -4.659 -6.697 1.00 0.00 C ATOM 383 NZ LYS A 24 -11.629 -3.294 -6.965 1.00 0.00 N ATOM 0 H LYS A 24 -10.344 -6.039 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.195 -3.238 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.995 -5.488 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.507 -3.816 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.861 -3.273 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.833 -4.619 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.181 -6.201 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.580 -5.145 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.009 -4.647 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.465 -5.348 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.719 -3.152 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.563 -3.192 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.978 -2.584 -6.573 1.00 0.00 H new ATOM 440 N GLN A 28 -10.449 4.249 5.044 1.00 0.00 N ATOM 441 CA GLN A 28 -9.356 5.168 4.736 1.00 0.00 C ATOM 442 C GLN A 28 -8.003 4.489 4.922 1.00 0.00 C ATOM 443 O GLN A 28 -7.922 3.264 5.028 1.00 0.00 O ATOM 444 CB GLN A 28 -9.444 6.411 5.625 1.00 0.00 C ATOM 445 CG GLN A 28 -10.854 6.957 5.771 1.00 0.00 C ATOM 446 CD GLN A 28 -10.908 8.210 6.623 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.486 9.285 6.194 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.430 8.079 7.837 1.00 0.00 N ATOM 0 HA GLN A 28 -9.449 5.468 3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.053 6.169 6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.803 7.189 5.211 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.259 7.176 4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.492 6.192 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.768 7.169 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.493 8.888 8.455 1.00 0.00 H new ATOM 457 N TRP A 29 -6.941 5.291 4.958 1.00 0.00 N ATOM 458 CA TRP A 29 -5.591 4.766 5.129 1.00 0.00 C ATOM 459 C TRP A 29 -5.443 4.065 6.473 1.00 0.00 C ATOM 460 O TRP A 29 -4.961 2.935 6.545 1.00 0.00 O ATOM 461 CB TRP A 29 -4.559 5.890 5.012 1.00 0.00 C ATOM 462 CG TRP A 29 -3.162 5.438 5.311 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.250 4.950 4.421 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.520 5.424 6.592 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.082 4.631 5.069 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.223 4.916 6.403 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.916 5.794 7.880 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.321 4.767 7.451 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.020 5.645 8.922 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.736 5.135 8.703 1.00 0.00 C ATOM 0 H TRP A 29 -6.991 6.306 4.871 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.414 4.038 4.338 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.593 6.303 4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.828 6.695 5.696 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.422 4.832 3.361 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.246 4.245 4.630 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.905 6.190 8.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.671 4.375 7.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.316 5.927 9.922 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.059 5.029 9.538 1.00 0.00 H new ATOM 481 N VAL A 30 -5.860 4.745 7.532 1.00 0.00 N ATOM 482 CA VAL A 30 -5.777 4.191 8.878 1.00 0.00 C ATOM 483 C VAL A 30 -6.478 2.844 8.952 1.00 0.00 C ATOM 484 O VAL A 30 -6.088 1.968 9.724 1.00 0.00 O ATOM 485 CB VAL A 30 -6.393 5.141 9.921 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.490 6.341 10.153 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.781 5.585 9.486 1.00 0.00 C ATOM 0 H VAL A 30 -6.260 5.682 7.486 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.719 4.063 9.105 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.488 4.601 10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.944 7.000 10.893 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.520 6.002 10.515 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.358 6.884 9.217 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.200 6.256 10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.714 6.105 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.425 4.712 9.379 1.00 0.00 H new ATOM 497 N HIS A 31 -7.516 2.684 8.142 1.00 0.00 N ATOM 498 CA HIS A 31 -8.270 1.441 8.114 1.00 0.00 C ATOM 499 C HIS A 31 -7.461 0.338 7.445 1.00 0.00 C ATOM 500 O HIS A 31 -7.589 -0.834 7.796 1.00 0.00 O ATOM 501 CB HIS A 31 -9.599 1.638 7.385 1.00 0.00 C ATOM 502 CG HIS A 31 -10.797 1.410 8.253 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.538 0.247 8.224 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.384 2.205 9.181 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.528 0.337 9.095 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.456 1.514 9.689 1.00 0.00 N ATOM 0 H HIS A 31 -7.853 3.399 7.497 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.477 1.144 9.142 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.638 2.651 6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.642 0.958 6.535 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.067 3.197 9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.270 -0.423 9.288 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.094 1.855 10.409 1.00 0.00 H new ATOM 515 N ALA A 32 -6.624 0.716 6.482 1.00 0.00 N ATOM 516 CA ALA A 32 -5.798 -0.253 5.778 1.00 0.00 C ATOM 517 C ALA A 32 -4.698 -0.787 6.683 1.00 0.00 C ATOM 518 O ALA A 32 -4.496 -1.995 6.785 1.00 0.00 O ATOM 519 CB ALA A 32 -5.198 0.371 4.527 1.00 0.00 C ATOM 0 H ALA A 32 -6.502 1.681 6.175 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.432 -1.089 5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.583 -0.367 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.999 0.702 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.582 1.226 4.806 1.00 0.00 H new ATOM 525 N ARG A 33 -3.992 0.121 7.347 1.00 0.00 N ATOM 526 CA ARG A 33 -2.919 -0.262 8.248 1.00 0.00 C ATOM 527 C ARG A 33 -3.446 -1.102 9.405 1.00 0.00 C ATOM 528 O ARG A 33 -2.799 -2.057 9.834 1.00 0.00 O ATOM 529 CB ARG A 33 -2.199 0.977 8.786 1.00 0.00 C ATOM 530 CG ARG A 33 -3.133 2.008 9.396 1.00 0.00 C ATOM 531 CD ARG A 33 -3.082 1.978 10.916 1.00 0.00 C ATOM 532 NE ARG A 33 -1.821 2.506 11.431 1.00 0.00 N ATOM 533 CZ ARG A 33 -1.167 1.980 12.462 1.00 0.00 C ATOM 534 NH1 ARG A 33 -1.652 0.915 13.086 1.00 0.00 N ATOM 535 NH2 ARG A 33 -0.027 2.519 12.870 1.00 0.00 N ATOM 0 H ARG A 33 -4.146 1.127 7.276 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.209 -0.865 7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.473 0.667 9.538 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.639 1.442 7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.860 3.002 9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.153 1.819 9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.911 2.561 11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.215 0.953 11.263 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.420 3.325 10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.529 0.497 12.775 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.148 0.514 13.877 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.349 3.338 12.393 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.474 2.115 13.661 1.00 0.00 H new ATOM 549 N TYR A 34 -4.620 -0.739 9.909 1.00 0.00 N ATOM 550 CA TYR A 34 -5.228 -1.460 11.021 1.00 0.00 C ATOM 551 C TYR A 34 -5.754 -2.821 10.579 1.00 0.00 C ATOM 552 O TYR A 34 -5.639 -3.808 11.308 1.00 0.00 O ATOM 553 CB TYR A 34 -6.362 -0.635 11.632 1.00 0.00 C ATOM 554 CG TYR A 34 -6.192 -0.373 13.111 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.440 -1.371 14.046 1.00 0.00 C ATOM 556 CD2 TYR A 34 -5.783 0.871 13.574 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.285 -1.136 15.399 1.00 0.00 C ATOM 558 CE2 TYR A 34 -5.625 1.114 14.926 1.00 0.00 C ATOM 559 CZ TYR A 34 -5.878 0.108 15.833 1.00 0.00 C ATOM 560 OH TYR A 34 -5.723 0.346 17.180 1.00 0.00 O ATOM 0 H TYR A 34 -5.169 0.049 9.566 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.457 -1.623 11.774 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.429 0.319 11.108 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.306 -1.155 11.470 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.759 -2.346 13.710 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.585 1.662 12.866 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.482 -1.922 16.113 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.305 2.087 15.269 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.430 1.271 17.317 1.00 0.00 H new ATOM 570 N ALA A 35 -6.339 -2.867 9.388 1.00 0.00 N ATOM 571 CA ALA A 35 -6.892 -4.107 8.858 1.00 0.00 C ATOM 572 C ALA A 35 -5.797 -5.115 8.540 1.00 0.00 C ATOM 573 O ALA A 35 -5.961 -6.314 8.769 1.00 0.00 O ATOM 574 CB ALA A 35 -7.732 -3.827 7.620 1.00 0.00 C ATOM 0 H ALA A 35 -6.443 -2.061 8.772 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.531 -4.542 9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.138 -4.763 7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.551 -3.156 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.110 -3.361 6.856 1.00 0.00 H new ATOM 580 N CYS A 36 -4.681 -4.628 8.016 1.00 0.00 N ATOM 581 CA CYS A 36 -3.564 -5.495 7.674 1.00 0.00 C ATOM 582 C CYS A 36 -2.784 -5.878 8.925 1.00 0.00 C ATOM 583 O CYS A 36 -2.141 -6.927 8.973 1.00 0.00 O ATOM 584 CB CYS A 36 -2.644 -4.805 6.665 1.00 0.00 C ATOM 585 SG CYS A 36 -3.514 -4.111 5.220 1.00 0.00 S ATOM 0 H CYS A 36 -4.526 -3.639 7.819 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.959 -6.404 7.220 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.104 -4.004 7.170 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.900 -5.522 6.318 1.00 0.00 H new ATOM 590 N ASP A 37 -2.851 -5.021 9.940 1.00 0.00 N ATOM 591 CA ASP A 37 -2.158 -5.267 11.199 1.00 0.00 C ATOM 592 C ASP A 37 -2.878 -6.330 12.022 1.00 0.00 C ATOM 593 O ASP A 37 -2.282 -6.963 12.894 1.00 0.00 O ATOM 594 CB ASP A 37 -2.045 -3.973 12.007 1.00 0.00 C ATOM 595 CG ASP A 37 -0.647 -3.390 11.974 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.177 -3.036 10.872 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.020 -3.287 13.049 1.00 0.00 O ATOM 0 H ASP A 37 -3.379 -4.149 9.914 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.157 -5.631 10.965 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.750 -3.240 11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.330 -4.168 13.041 1.00 0.00 H new ATOM 602 N ASP A 38 -4.166 -6.510 11.747 1.00 0.00 N ATOM 603 CA ASP A 38 -4.977 -7.485 12.468 1.00 0.00 C ATOM 604 C ASP A 38 -4.401 -8.892 12.346 1.00 0.00 C ATOM 605 O ASP A 38 -4.405 -9.656 13.312 1.00 0.00 O ATOM 606 CB ASP A 38 -6.415 -7.464 11.949 1.00 0.00 C ATOM 607 CG ASP A 38 -7.426 -7.219 13.053 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.410 -7.970 14.050 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.232 -6.274 12.919 1.00 0.00 O ATOM 0 H ASP A 38 -4.672 -5.992 11.028 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.969 -7.208 13.522 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.513 -6.687 11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.636 -8.414 11.462 1.00 0.00 H new ATOM 614 N MET A 39 -3.911 -9.232 11.157 1.00 0.00 N ATOM 615 CA MET A 39 -3.337 -10.553 10.916 1.00 0.00 C ATOM 616 C MET A 39 -2.669 -10.637 9.546 1.00 0.00 C ATOM 617 O MET A 39 -1.727 -11.407 9.357 1.00 0.00 O ATOM 618 CB MET A 39 -4.421 -11.627 11.023 1.00 0.00 C ATOM 619 CG MET A 39 -4.351 -12.434 12.307 1.00 0.00 C ATOM 620 SD MET A 39 -3.959 -14.170 12.020 1.00 0.00 S ATOM 621 CE MET A 39 -5.599 -14.888 11.997 1.00 0.00 C ATOM 0 H MET A 39 -3.900 -8.613 10.347 1.00 0.00 H new ATOM 0 HA MET A 39 -2.575 -10.722 11.676 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.400 -11.152 10.955 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.336 -12.304 10.173 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.597 -12.000 12.963 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.306 -12.363 12.828 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.524 -15.962 11.828 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.090 -14.704 12.953 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.183 -14.435 11.196 1.00 0.00 H new ATOM 631 N GLU A 40 -3.170 -9.854 8.591 1.00 0.00 N ATOM 632 CA GLU A 40 -2.631 -9.850 7.234 1.00 0.00 C ATOM 633 C GLU A 40 -1.103 -9.778 7.235 1.00 0.00 C ATOM 634 O GLU A 40 -0.430 -10.809 7.249 1.00 0.00 O ATOM 635 CB GLU A 40 -3.220 -8.686 6.433 1.00 0.00 C ATOM 636 CG GLU A 40 -4.741 -8.676 6.400 1.00 0.00 C ATOM 637 CD GLU A 40 -5.336 -10.067 6.285 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.885 -10.837 5.410 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.252 -10.388 7.071 1.00 0.00 O ATOM 0 H GLU A 40 -3.950 -9.213 8.734 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.917 -10.789 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.868 -7.747 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.843 -8.732 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.116 -8.199 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.078 -8.071 5.558 1.00 0.00 H new ATOM 646 N GLY A 41 -0.556 -8.564 7.218 1.00 0.00 N ATOM 647 CA GLY A 41 0.891 -8.414 7.215 1.00 0.00 C ATOM 648 C GLY A 41 1.360 -7.069 7.737 1.00 0.00 C ATOM 649 O GLY A 41 1.496 -6.871 8.944 1.00 0.00 O ATOM 0 H GLY A 41 -1.082 -7.690 7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.332 -9.205 7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.260 -8.549 6.199 1.00 0.00 H new ATOM 653 N GLN A 42 1.632 -6.159 6.814 1.00 0.00 N ATOM 654 CA GLN A 42 2.121 -4.830 7.136 1.00 0.00 C ATOM 655 C GLN A 42 1.676 -3.886 6.047 1.00 0.00 C ATOM 656 O GLN A 42 1.322 -4.333 4.961 1.00 0.00 O ATOM 657 CB GLN A 42 3.647 -4.830 7.222 1.00 0.00 C ATOM 658 CG GLN A 42 4.258 -3.441 7.317 1.00 0.00 C ATOM 659 CD GLN A 42 4.335 -2.929 8.743 1.00 0.00 C ATOM 660 OE1 GLN A 42 4.264 -3.704 9.697 1.00 0.00 O ATOM 661 NE2 GLN A 42 4.481 -1.618 8.893 1.00 0.00 N ATOM 0 H GLN A 42 1.518 -6.325 5.814 1.00 0.00 H new ATOM 0 HA GLN A 42 1.722 -4.516 8.101 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.952 -5.411 8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.051 -5.335 6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.260 -3.460 6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.668 -2.748 6.718 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.535 -1.014 8.073 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.539 -1.215 9.828 1.00 0.00 H new ATOM 670 N LEU A 43 1.693 -2.592 6.289 1.00 0.00 N ATOM 671 CA LEU A 43 1.287 -1.704 5.237 1.00 0.00 C ATOM 672 C LEU A 43 2.414 -1.689 4.219 1.00 0.00 C ATOM 673 O LEU A 43 3.530 -1.252 4.493 1.00 0.00 O ATOM 674 CB LEU A 43 1.022 -0.301 5.788 1.00 0.00 C ATOM 675 CG LEU A 43 -0.180 0.437 5.193 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.433 -0.415 5.266 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.394 1.756 5.913 1.00 0.00 C ATOM 0 H LEU A 43 1.971 -2.152 7.166 1.00 0.00 H new ATOM 0 HA LEU A 43 0.358 -2.040 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.880 -0.376 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.913 0.306 5.626 1.00 0.00 H new ATOM 0 HG LEU A 43 0.030 0.638 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.271 0.133 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.279 -1.338 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.651 -0.654 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.252 2.272 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.579 1.567 6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.495 2.378 5.806 1.00 0.00 H new ATOM 689 N VAL A 44 2.082 -2.235 3.060 1.00 0.00 N ATOM 690 CA VAL A 44 2.997 -2.394 1.935 1.00 0.00 C ATOM 691 C VAL A 44 4.172 -1.433 1.944 1.00 0.00 C ATOM 692 O VAL A 44 5.320 -1.846 2.114 1.00 0.00 O ATOM 693 CB VAL A 44 2.238 -2.254 0.611 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.967 -3.622 0.022 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.941 -1.491 0.822 1.00 0.00 C ATOM 0 H VAL A 44 1.145 -2.590 2.868 1.00 0.00 H new ATOM 0 HA VAL A 44 3.415 -3.395 2.039 1.00 0.00 H new ATOM 0 HB VAL A 44 2.853 -1.690 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.427 -3.513 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.912 -4.134 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.366 -4.206 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.414 -1.400 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.315 -2.028 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.163 -0.497 1.211 1.00 0.00 H new ATOM 705 N SER A 45 3.886 -0.166 1.722 1.00 0.00 N ATOM 706 CA SER A 45 4.932 0.849 1.665 1.00 0.00 C ATOM 707 C SER A 45 5.865 0.539 0.500 1.00 0.00 C ATOM 708 O SER A 45 7.082 0.438 0.663 1.00 0.00 O ATOM 709 CB SER A 45 5.719 0.895 2.974 1.00 0.00 C ATOM 710 OG SER A 45 5.980 2.230 3.365 1.00 0.00 O ATOM 0 H SER A 45 2.941 0.190 1.578 1.00 0.00 H new ATOM 0 HA SER A 45 4.471 1.826 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.157 0.386 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.660 0.357 2.856 1.00 0.00 H new ATOM 0 HG SER A 45 6.898 2.299 3.701 1.00 0.00 H new ATOM 716 N ILE A 46 5.261 0.362 -0.668 1.00 0.00 N ATOM 717 CA ILE A 46 5.985 0.029 -1.892 1.00 0.00 C ATOM 718 C ILE A 46 7.235 0.885 -2.061 1.00 0.00 C ATOM 719 O ILE A 46 7.201 2.102 -1.875 1.00 0.00 O ATOM 720 CB ILE A 46 5.092 0.181 -3.146 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.782 0.907 -2.808 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.804 -1.183 -3.759 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.734 0.023 -2.160 1.00 0.00 C ATOM 0 H ILE A 46 4.252 0.445 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 46 6.282 -1.015 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 46 5.632 0.786 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.002 1.740 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.368 1.332 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.175 -1.060 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.742 -1.658 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.289 -1.808 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.840 0.611 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.482 -0.796 -2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.126 -0.382 -1.227 1.00 0.00 H new ATOM 735 N HIS A 47 8.338 0.233 -2.416 1.00 0.00 N ATOM 736 CA HIS A 47 9.609 0.920 -2.613 1.00 0.00 C ATOM 737 C HIS A 47 10.182 0.616 -3.994 1.00 0.00 C ATOM 738 O HIS A 47 11.210 1.169 -4.384 1.00 0.00 O ATOM 739 CB HIS A 47 10.609 0.504 -1.534 1.00 0.00 C ATOM 740 CG HIS A 47 10.843 -0.974 -1.472 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.915 -1.592 -2.081 1.00 0.00 N ATOM 742 CD2 HIS A 47 10.137 -1.959 -0.869 1.00 0.00 C ATOM 743 CE1 HIS A 47 11.858 -2.893 -1.855 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.789 -3.141 -1.121 1.00 0.00 N ATOM 0 H HIS A 47 8.376 -0.774 -2.574 1.00 0.00 H new ATOM 0 HA HIS A 47 9.429 1.993 -2.540 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.559 1.007 -1.717 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.249 0.847 -0.564 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.230 -1.838 -0.296 1.00 0.00 H new ATOM 0 HE1 HIS A 47 12.565 -3.628 -2.210 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.495 -4.061 -0.794 1.00 0.00 H new ATOM 753 N SER A 48 9.508 -0.261 -4.732 1.00 0.00 N ATOM 754 CA SER A 48 9.948 -0.630 -6.066 1.00 0.00 C ATOM 755 C SER A 48 8.928 -0.181 -7.097 1.00 0.00 C ATOM 756 O SER A 48 7.765 -0.577 -7.036 1.00 0.00 O ATOM 757 CB SER A 48 10.160 -2.142 -6.160 1.00 0.00 C ATOM 758 OG SER A 48 11.528 -2.477 -6.006 1.00 0.00 O ATOM 0 H SER A 48 8.655 -0.728 -4.425 1.00 0.00 H new ATOM 0 HA SER A 48 10.897 -0.132 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.571 -2.643 -5.392 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.800 -2.503 -7.123 1.00 0.00 H new ATOM 0 HG SER A 48 11.636 -3.449 -6.068 1.00 0.00 H new ATOM 764 N PRO A 49 9.345 0.657 -8.062 1.00 0.00 N ATOM 765 CA PRO A 49 8.450 1.153 -9.105 1.00 0.00 C ATOM 766 C PRO A 49 7.588 0.038 -9.684 1.00 0.00 C ATOM 767 O PRO A 49 6.461 0.271 -10.115 1.00 0.00 O ATOM 768 CB PRO A 49 9.416 1.701 -10.154 1.00 0.00 C ATOM 769 CG PRO A 49 10.600 2.146 -9.366 1.00 0.00 C ATOM 770 CD PRO A 49 10.717 1.183 -8.213 1.00 0.00 C ATOM 0 HA PRO A 49 7.742 1.896 -8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.687 0.937 -10.883 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.973 2.528 -10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.502 2.134 -9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.470 3.168 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.431 0.387 -8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.057 1.682 -7.306 1.00 0.00 H new ATOM 778 N GLU A 50 8.127 -1.179 -9.674 1.00 0.00 N ATOM 779 CA GLU A 50 7.407 -2.338 -10.179 1.00 0.00 C ATOM 780 C GLU A 50 6.303 -2.753 -9.222 1.00 0.00 C ATOM 781 O GLU A 50 5.176 -3.018 -9.637 1.00 0.00 O ATOM 782 CB GLU A 50 8.358 -3.511 -10.396 1.00 0.00 C ATOM 783 CG GLU A 50 7.653 -4.791 -10.799 1.00 0.00 C ATOM 784 CD GLU A 50 8.505 -6.024 -10.572 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.624 -6.083 -11.124 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.054 -6.931 -9.840 1.00 0.00 O ATOM 0 H GLU A 50 9.061 -1.385 -9.321 1.00 0.00 H new ATOM 0 HA GLU A 50 6.960 -2.058 -11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.081 -3.245 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.920 -3.688 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.727 -4.885 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.378 -4.733 -11.852 1.00 0.00 H new ATOM 793 N GLU A 51 6.640 -2.822 -7.939 1.00 0.00 N ATOM 794 CA GLU A 51 5.678 -3.220 -6.924 1.00 0.00 C ATOM 795 C GLU A 51 4.555 -2.197 -6.818 1.00 0.00 C ATOM 796 O GLU A 51 3.381 -2.559 -6.726 1.00 0.00 O ATOM 797 CB GLU A 51 6.372 -3.394 -5.572 1.00 0.00 C ATOM 798 CG GLU A 51 7.539 -4.367 -5.608 1.00 0.00 C ATOM 799 CD GLU A 51 8.248 -4.477 -4.272 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.518 -3.425 -3.655 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.533 -5.615 -3.843 1.00 0.00 O ATOM 0 H GLU A 51 7.570 -2.608 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 51 5.244 -4.176 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.730 -2.423 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.642 -3.742 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.177 -5.351 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.251 -4.046 -6.368 1.00 0.00 H new ATOM 808 N GLN A 52 4.917 -0.919 -6.844 1.00 0.00 N ATOM 809 CA GLN A 52 3.929 0.149 -6.764 1.00 0.00 C ATOM 810 C GLN A 52 3.048 0.132 -8.005 1.00 0.00 C ATOM 811 O GLN A 52 1.837 0.302 -7.919 1.00 0.00 O ATOM 812 CB GLN A 52 4.612 1.514 -6.599 1.00 0.00 C ATOM 813 CG GLN A 52 5.062 2.147 -7.909 1.00 0.00 C ATOM 814 CD GLN A 52 4.082 3.183 -8.434 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.443 4.039 -9.241 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.834 3.113 -7.980 1.00 0.00 N ATOM 0 H GLN A 52 5.883 -0.599 -6.919 1.00 0.00 H new ATOM 0 HA GLN A 52 3.303 -0.018 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.924 2.194 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.478 1.398 -5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.035 2.616 -7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.193 1.366 -8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.575 2.388 -7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.136 3.784 -8.301 1.00 0.00 H new ATOM 825 N ASP A 53 3.671 -0.102 -9.153 1.00 0.00 N ATOM 826 CA ASP A 53 2.959 -0.176 -10.417 1.00 0.00 C ATOM 827 C ASP A 53 2.074 -1.411 -10.433 1.00 0.00 C ATOM 828 O ASP A 53 0.996 -1.413 -11.023 1.00 0.00 O ATOM 829 CB ASP A 53 3.943 -0.219 -11.586 1.00 0.00 C ATOM 830 CG ASP A 53 3.293 0.153 -12.905 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.374 1.000 -12.897 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.702 -0.402 -13.946 1.00 0.00 O ATOM 0 H ASP A 53 4.678 -0.245 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 53 2.338 0.713 -10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.769 0.463 -11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.367 -1.220 -11.663 1.00 0.00 H new ATOM 837 N PHE A 54 2.560 -2.470 -9.793 1.00 0.00 N ATOM 838 CA PHE A 54 1.849 -3.733 -9.733 1.00 0.00 C ATOM 839 C PHE A 54 0.489 -3.578 -9.065 1.00 0.00 C ATOM 840 O PHE A 54 -0.534 -3.983 -9.618 1.00 0.00 O ATOM 841 CB PHE A 54 2.693 -4.729 -8.943 1.00 0.00 C ATOM 842 CG PHE A 54 3.121 -5.925 -9.733 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.268 -7.000 -9.900 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.382 -5.975 -10.303 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.662 -8.107 -10.624 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.785 -7.077 -11.029 1.00 0.00 C ATOM 847 CZ PHE A 54 3.924 -8.147 -11.191 1.00 0.00 C ATOM 0 H PHE A 54 3.455 -2.472 -9.304 1.00 0.00 H new ATOM 0 HA PHE A 54 1.682 -4.088 -10.750 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.580 -4.219 -8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.124 -5.064 -8.076 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.282 -6.973 -9.459 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.058 -5.142 -10.178 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.987 -8.941 -10.748 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.771 -7.104 -11.470 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.235 -9.012 -11.758 1.00 0.00 H new ATOM 857 N LEU A 55 0.481 -2.974 -7.884 1.00 0.00 N ATOM 858 CA LEU A 55 -0.759 -2.750 -7.154 1.00 0.00 C ATOM 859 C LEU A 55 -1.551 -1.622 -7.788 1.00 0.00 C ATOM 860 O LEU A 55 -2.777 -1.669 -7.861 1.00 0.00 O ATOM 861 CB LEU A 55 -0.477 -2.425 -5.695 1.00 0.00 C ATOM 862 CG LEU A 55 0.787 -1.618 -5.456 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.453 -0.140 -5.380 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.477 -2.092 -4.191 1.00 0.00 C ATOM 0 H LEU A 55 1.318 -2.631 -7.412 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.347 -3.667 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.325 -1.874 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.407 -3.358 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 55 1.473 -1.768 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.366 0.431 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.003 0.179 -6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.243 0.034 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.382 -1.507 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.806 -1.965 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.739 -3.145 -4.292 1.00 0.00 H new ATOM 876 N THR A 56 -0.830 -0.602 -8.241 1.00 0.00 N ATOM 877 CA THR A 56 -1.443 0.550 -8.872 1.00 0.00 C ATOM 878 C THR A 56 -2.206 0.105 -10.111 1.00 0.00 C ATOM 879 O THR A 56 -3.306 0.585 -10.387 1.00 0.00 O ATOM 880 CB THR A 56 -0.364 1.583 -9.219 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.423 2.690 -8.340 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.444 2.117 -10.631 1.00 0.00 C ATOM 0 H THR A 56 0.187 -0.555 -8.180 1.00 0.00 H new ATOM 0 HA THR A 56 -2.150 1.018 -8.187 1.00 0.00 H new ATOM 0 HB THR A 56 0.575 1.039 -9.117 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.273 2.602 -7.656 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.355 2.841 -10.792 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.336 1.294 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.409 2.601 -10.783 1.00 0.00 H new ATOM 890 N LYS A 57 -1.624 -0.845 -10.834 1.00 0.00 N ATOM 891 CA LYS A 57 -2.254 -1.394 -12.020 1.00 0.00 C ATOM 892 C LYS A 57 -3.368 -2.335 -11.592 1.00 0.00 C ATOM 893 O LYS A 57 -4.416 -2.418 -12.234 1.00 0.00 O ATOM 894 CB LYS A 57 -1.233 -2.140 -12.882 1.00 0.00 C ATOM 895 CG LYS A 57 -0.613 -1.280 -13.971 1.00 0.00 C ATOM 896 CD LYS A 57 0.090 -2.128 -15.018 1.00 0.00 C ATOM 897 CE LYS A 57 1.479 -2.542 -14.558 1.00 0.00 C ATOM 898 NZ LYS A 57 1.691 -4.011 -14.686 1.00 0.00 N ATOM 0 H LYS A 57 -0.714 -1.250 -10.615 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.665 -0.581 -12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.441 -2.526 -12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.718 -3.001 -13.342 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.388 -0.680 -14.448 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.099 -0.585 -13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.505 -3.017 -15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.166 -1.568 -15.950 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.229 -2.014 -15.147 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.622 -2.244 -13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.649 -4.253 -14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.992 -4.515 -14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.580 -4.292 -15.681 1.00 0.00 H new ATOM 912 N HIS A 58 -3.132 -3.027 -10.479 1.00 0.00 N ATOM 913 CA HIS A 58 -4.112 -3.948 -9.929 1.00 0.00 C ATOM 914 C HIS A 58 -5.352 -3.179 -9.492 1.00 0.00 C ATOM 915 O HIS A 58 -6.471 -3.690 -9.557 1.00 0.00 O ATOM 916 CB HIS A 58 -3.523 -4.706 -8.739 1.00 0.00 C ATOM 917 CG HIS A 58 -4.103 -6.074 -8.558 1.00 0.00 C ATOM 918 ND1 HIS A 58 -3.682 -7.172 -9.280 1.00 0.00 N ATOM 919 CD2 HIS A 58 -5.078 -6.522 -7.733 1.00 0.00 C ATOM 920 CE1 HIS A 58 -4.373 -8.234 -8.907 1.00 0.00 C ATOM 921 NE2 HIS A 58 -5.227 -7.866 -7.969 1.00 0.00 N ATOM 0 H HIS A 58 -2.267 -2.964 -9.943 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.387 -4.669 -10.699 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.444 -4.792 -8.870 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.689 -4.126 -7.831 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.635 -5.931 -7.021 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -4.259 -9.233 -9.302 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -5.890 -8.481 -7.497 1.00 0.00 H new ATOM 983 N GLY A 63 -7.975 2.865 -5.724 1.00 0.00 N ATOM 984 CA GLY A 63 -6.555 2.898 -5.416 1.00 0.00 C ATOM 985 C GLY A 63 -6.177 1.964 -4.282 1.00 0.00 C ATOM 986 O GLY A 63 -7.046 1.389 -3.627 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.988 2.628 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.269 3.916 -5.153 1.00 0.00 H new ATOM 990 N SER A 64 -4.875 1.818 -4.045 1.00 0.00 N ATOM 991 CA SER A 64 -4.385 0.949 -2.978 1.00 0.00 C ATOM 992 C SER A 64 -3.761 1.773 -1.859 1.00 0.00 C ATOM 993 O SER A 64 -3.371 2.920 -2.070 1.00 0.00 O ATOM 994 CB SER A 64 -3.363 -0.046 -3.531 1.00 0.00 C ATOM 995 OG SER A 64 -2.039 0.369 -3.244 1.00 0.00 O ATOM 0 H SER A 64 -4.142 2.289 -4.576 1.00 0.00 H new ATOM 0 HA SER A 64 -5.231 0.396 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.540 -1.031 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.491 -0.142 -4.609 1.00 0.00 H new ATOM 0 HG SER A 64 -1.543 -0.375 -2.843 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.654 1.189 -0.670 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.069 1.901 0.460 1.00 0.00 C ATOM 1003 C TRP A 65 -1.663 1.400 0.737 1.00 0.00 C ATOM 1004 O TRP A 65 -1.421 0.196 0.789 1.00 0.00 O ATOM 1005 CB TRP A 65 -3.945 1.761 1.708 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.099 2.719 1.723 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.031 4.083 1.761 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.492 2.388 1.698 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.299 4.618 1.758 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.211 3.598 1.720 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.200 1.187 1.658 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.602 3.638 1.702 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.582 1.227 1.641 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.270 2.446 1.663 1.00 0.00 C ATOM 0 H TRP A 65 -3.960 0.238 -0.465 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.014 2.958 0.201 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.325 0.741 1.766 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.333 1.924 2.595 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.117 4.657 1.789 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.523 5.613 1.780 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.678 0.242 1.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.135 4.577 1.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.140 0.303 1.610 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.350 2.445 1.649 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.737 2.336 0.900 1.00 0.00 N ATOM 1026 CA ILE A 66 0.651 1.996 1.155 1.00 0.00 C ATOM 1027 C ILE A 66 1.079 2.389 2.560 1.00 0.00 C ATOM 1028 O ILE A 66 0.372 3.111 3.260 1.00 0.00 O ATOM 1029 CB ILE A 66 1.594 2.639 0.124 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.925 4.081 0.504 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.963 2.579 -1.261 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.528 4.878 -0.630 1.00 0.00 C ATOM 0 H ILE A 66 -0.926 3.338 0.860 1.00 0.00 H new ATOM 0 HA ILE A 66 0.724 0.912 1.062 1.00 0.00 H new ATOM 0 HB ILE A 66 2.529 2.078 0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.016 4.577 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.619 4.077 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.635 3.036 -1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.785 1.539 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.016 3.119 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.738 5.892 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.455 4.405 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.827 4.913 -1.464 1.00 0.00 H new ATOM 1044 N GLY A 67 2.234 1.882 2.961 1.00 0.00 N ATOM 1045 CA GLY A 67 2.757 2.152 4.283 1.00 0.00 C ATOM 1046 C GLY A 67 3.334 3.543 4.439 1.00 0.00 C ATOM 1047 O GLY A 67 4.475 3.698 4.869 1.00 0.00 O ATOM 0 H GLY A 67 2.825 1.281 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.960 2.015 5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.531 1.420 4.514 1.00 0.00 H new ATOM 1051 N LEU A 68 2.548 4.558 4.104 1.00 0.00 N ATOM 1052 CA LEU A 68 3.008 5.937 4.233 1.00 0.00 C ATOM 1053 C LEU A 68 2.067 6.775 5.094 1.00 0.00 C ATOM 1054 O LEU A 68 0.865 6.850 4.839 1.00 0.00 O ATOM 1055 CB LEU A 68 3.160 6.587 2.857 1.00 0.00 C ATOM 1056 CG LEU A 68 4.582 6.597 2.307 1.00 0.00 C ATOM 1057 CD1 LEU A 68 4.620 7.226 0.928 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.498 7.348 3.250 1.00 0.00 C ATOM 0 H LEU A 68 1.599 4.456 3.745 1.00 0.00 H new ATOM 0 HA LEU A 68 3.979 5.903 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.516 6.063 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.801 7.614 2.915 1.00 0.00 H new ATOM 0 HG LEU A 68 4.927 5.566 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.644 7.223 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.985 6.656 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.258 8.253 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.511 7.350 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.148 8.375 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.495 6.861 4.225 1.00 0.00 H new ATOM 1070 N ARG A 69 2.643 7.420 6.105 1.00 0.00 N ATOM 1071 CA ARG A 69 1.897 8.283 7.014 1.00 0.00 C ATOM 1072 C ARG A 69 2.701 9.543 7.326 1.00 0.00 C ATOM 1073 O ARG A 69 3.855 9.460 7.744 1.00 0.00 O ATOM 1074 CB ARG A 69 1.564 7.532 8.307 1.00 0.00 C ATOM 1075 CG ARG A 69 1.291 8.441 9.497 1.00 0.00 C ATOM 1076 CD ARG A 69 2.364 8.296 10.564 1.00 0.00 C ATOM 1077 NE ARG A 69 1.794 8.236 11.907 1.00 0.00 N ATOM 1078 CZ ARG A 69 1.660 9.295 12.700 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.054 10.492 12.288 1.00 0.00 N ATOM 1080 NH2 ARG A 69 1.130 9.156 13.909 1.00 0.00 N ATOM 0 H ARG A 69 3.639 7.359 6.316 1.00 0.00 H new ATOM 0 HA ARG A 69 0.964 8.575 6.531 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.691 6.903 8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.392 6.867 8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.246 9.477 9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.317 8.202 9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.943 7.392 10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.055 9.137 10.500 1.00 0.00 H new ATOM 0 HE ARG A 69 1.481 7.330 12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.462 10.603 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.949 11.302 12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.826 8.237 14.230 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.027 9.968 14.517 1.00 0.00 H new ATOM 1094 N ASN A 70 2.094 10.707 7.125 1.00 0.00 N ATOM 1095 CA ASN A 70 2.772 11.972 7.389 1.00 0.00 C ATOM 1096 C ASN A 70 2.650 12.376 8.851 1.00 0.00 C ATOM 1097 O ASN A 70 1.782 11.885 9.575 1.00 0.00 O ATOM 1098 CB ASN A 70 2.207 13.078 6.495 1.00 0.00 C ATOM 1099 CG ASN A 70 1.642 14.244 7.284 1.00 0.00 C ATOM 1100 OD1 ASN A 70 0.600 14.127 7.932 1.00 0.00 O ATOM 1101 ND2 ASN A 70 2.328 15.379 7.236 1.00 0.00 N ATOM 0 H ASN A 70 1.138 10.802 6.782 1.00 0.00 H new ATOM 0 HA ASN A 70 3.829 11.832 7.163 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.994 13.441 5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.424 12.661 5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.997 16.197 7.748 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.186 15.433 6.687 1.00 0.00 H new ATOM 1202 N PHE A 77 6.420 12.831 4.995 1.00 0.00 N ATOM 1203 CA PHE A 77 5.838 11.510 5.174 1.00 0.00 C ATOM 1204 C PHE A 77 6.843 10.519 5.745 1.00 0.00 C ATOM 1205 O PHE A 77 8.051 10.639 5.544 1.00 0.00 O ATOM 1206 CB PHE A 77 5.261 10.983 3.856 1.00 0.00 C ATOM 1207 CG PHE A 77 3.943 11.608 3.499 1.00 0.00 C ATOM 1208 CD1 PHE A 77 3.757 12.978 3.600 1.00 0.00 C ATOM 1209 CD2 PHE A 77 2.884 10.823 3.080 1.00 0.00 C ATOM 1210 CE1 PHE A 77 2.539 13.551 3.293 1.00 0.00 C ATOM 1211 CE2 PHE A 77 1.663 11.391 2.768 1.00 0.00 C ATOM 1212 CZ PHE A 77 1.489 12.755 2.877 1.00 0.00 C ATOM 0 HA PHE A 77 5.027 11.613 5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.974 11.170 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.137 9.902 3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.575 13.605 3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.013 9.754 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.407 14.620 3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.845 10.767 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.534 13.200 2.638 1.00 0.00 H new ATOM 1222 N ILE A 78 6.311 9.546 6.469 1.00 0.00 N ATOM 1223 CA ILE A 78 7.102 8.509 7.105 1.00 0.00 C ATOM 1224 C ILE A 78 6.413 7.158 6.958 1.00 0.00 C ATOM 1225 O ILE A 78 5.189 7.075 7.015 1.00 0.00 O ATOM 1226 CB ILE A 78 7.326 8.821 8.598 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.635 9.605 8.766 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.316 7.541 9.427 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.616 8.999 9.751 1.00 0.00 C ATOM 0 H ILE A 78 5.308 9.455 6.632 1.00 0.00 H new ATOM 0 HA ILE A 78 8.073 8.474 6.611 1.00 0.00 H new ATOM 0 HB ILE A 78 6.508 9.441 8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.121 9.686 7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.397 10.618 9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.476 7.786 10.477 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.354 7.042 9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.111 6.879 9.084 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.510 9.621 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.154 8.943 10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.890 7.997 9.422 1.00 0.00 H new ATOM 1241 N TRP A 79 7.191 6.105 6.760 1.00 0.00 N ATOM 1242 CA TRP A 79 6.620 4.775 6.593 1.00 0.00 C ATOM 1243 C TRP A 79 6.093 4.243 7.918 1.00 0.00 C ATOM 1244 O TRP A 79 6.664 4.503 8.977 1.00 0.00 O ATOM 1245 CB TRP A 79 7.667 3.799 6.042 1.00 0.00 C ATOM 1246 CG TRP A 79 8.116 4.101 4.643 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.989 5.281 3.971 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.777 3.200 3.747 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.521 5.168 2.710 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.013 3.901 2.549 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.190 1.868 3.841 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.643 3.313 1.455 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 9.816 1.286 2.755 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.037 2.009 1.575 1.00 0.00 C ATOM 0 H TRP A 79 8.209 6.143 6.711 1.00 0.00 H new ATOM 0 HA TRP A 79 5.796 4.858 5.885 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.536 3.807 6.700 1.00 0.00 H new ATOM 0 HB3 TRP A 79 7.256 2.790 6.069 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.536 6.175 4.373 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.545 5.908 2.008 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.023 1.303 4.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.814 3.867 0.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.140 0.258 2.817 1.00 0.00 H new ATOM 0 HH2 TRP A 79 10.529 1.526 0.743 1.00 0.00 H new ATOM 1265 N VAL A 80 4.996 3.497 7.844 1.00 0.00 N ATOM 1266 CA VAL A 80 4.373 2.912 9.026 1.00 0.00 C ATOM 1267 C VAL A 80 5.358 1.998 9.749 1.00 0.00 C ATOM 1268 O VAL A 80 5.226 1.739 10.946 1.00 0.00 O ATOM 1269 CB VAL A 80 3.112 2.112 8.635 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.330 1.403 7.313 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.721 1.118 9.721 1.00 0.00 C ATOM 0 H VAL A 80 4.516 3.282 6.970 1.00 0.00 H new ATOM 0 HA VAL A 80 4.083 3.723 9.694 1.00 0.00 H new ATOM 0 HB VAL A 80 2.288 2.817 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.433 0.842 7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.541 2.138 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.173 0.718 7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.829 0.573 9.411 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.538 0.415 9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.515 1.654 10.648 1.00 0.00 H new ATOM 1281 N ASP A 81 6.351 1.523 9.009 1.00 0.00 N ATOM 1282 CA ASP A 81 7.371 0.644 9.564 1.00 0.00 C ATOM 1283 C ASP A 81 8.373 1.440 10.389 1.00 0.00 C ATOM 1284 O ASP A 81 9.311 0.882 10.958 1.00 0.00 O ATOM 1285 CB ASP A 81 8.096 -0.099 8.441 1.00 0.00 C ATOM 1286 CG ASP A 81 8.799 -1.349 8.934 1.00 0.00 C ATOM 1287 OD1 ASP A 81 8.117 -2.375 9.131 1.00 0.00 O ATOM 1288 OD2 ASP A 81 10.033 -1.299 9.122 1.00 0.00 O ATOM 0 H ASP A 81 6.472 1.733 8.018 1.00 0.00 H new ATOM 0 HA ASP A 81 6.882 -0.082 10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.379 -0.371 7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.826 0.567 7.980 1.00 0.00 H new ATOM 1293 N GLY A 82 8.159 2.750 10.453 1.00 0.00 N ATOM 1294 CA GLY A 82 9.038 3.611 11.214 1.00 0.00 C ATOM 1295 C GLY A 82 10.281 4.017 10.446 1.00 0.00 C ATOM 1296 O GLY A 82 11.378 4.043 11.003 1.00 0.00 O ATOM 0 H GLY A 82 7.388 3.230 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.492 4.507 11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.334 3.100 12.130 1.00 0.00 H new ATOM 1300 N SER A 83 10.113 4.336 9.165 1.00 0.00 N ATOM 1301 CA SER A 83 11.242 4.744 8.333 1.00 0.00 C ATOM 1302 C SER A 83 10.822 5.792 7.306 1.00 0.00 C ATOM 1303 O SER A 83 9.949 5.543 6.479 1.00 0.00 O ATOM 1304 CB SER A 83 11.842 3.529 7.622 1.00 0.00 C ATOM 1305 OG SER A 83 12.540 2.699 8.534 1.00 0.00 O ATOM 0 H SER A 83 9.214 4.320 8.684 1.00 0.00 H new ATOM 0 HA SER A 83 11.995 5.188 8.985 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.049 2.958 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.520 3.862 6.836 1.00 0.00 H new ATOM 0 HG SER A 83 12.913 1.929 8.056 1.00 0.00 H new ATOM 1311 N HIS A 84 11.454 6.963 7.364 1.00 0.00 N ATOM 1312 CA HIS A 84 11.153 8.049 6.439 1.00 0.00 C ATOM 1313 C HIS A 84 11.110 7.549 4.998 1.00 0.00 C ATOM 1314 O HIS A 84 11.708 6.525 4.665 1.00 0.00 O ATOM 1315 CB HIS A 84 12.194 9.160 6.575 1.00 0.00 C ATOM 1316 CG HIS A 84 13.578 8.658 6.853 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.431 8.216 5.865 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.256 8.528 8.019 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.574 7.836 6.409 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.492 8.016 7.714 1.00 0.00 N ATOM 0 H HIS A 84 12.180 7.182 8.046 1.00 0.00 H new ATOM 0 HA HIS A 84 10.169 8.445 6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.208 9.747 5.657 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.893 9.832 7.379 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.892 8.780 9.004 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.429 7.445 5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.229 7.808 8.388 1.00 0.00 H new ATOM 1329 N VAL A 85 10.394 8.278 4.151 1.00 0.00 N ATOM 1330 CA VAL A 85 10.263 7.912 2.745 1.00 0.00 C ATOM 1331 C VAL A 85 11.619 7.900 2.047 1.00 0.00 C ATOM 1332 O VAL A 85 12.550 8.588 2.466 1.00 0.00 O ATOM 1333 CB VAL A 85 9.316 8.871 1.998 1.00 0.00 C ATOM 1334 CG1 VAL A 85 8.809 8.227 0.719 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.156 9.284 2.888 1.00 0.00 C ATOM 0 H VAL A 85 9.894 9.128 4.413 1.00 0.00 H new ATOM 0 HA VAL A 85 9.840 6.908 2.720 1.00 0.00 H new ATOM 0 HB VAL A 85 9.875 9.768 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.142 8.918 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.653 7.988 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.268 7.313 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.500 9.961 2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.595 8.399 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.539 9.789 3.775 1.00 0.00 H new ATOM 1345 N ASP A 86 11.723 7.110 0.982 1.00 0.00 N ATOM 1346 CA ASP A 86 12.967 7.003 0.227 1.00 0.00 C ATOM 1347 C ASP A 86 12.750 7.340 -1.245 1.00 0.00 C ATOM 1348 O ASP A 86 13.018 8.460 -1.681 1.00 0.00 O ATOM 1349 CB ASP A 86 13.545 5.592 0.358 1.00 0.00 C ATOM 1350 CG ASP A 86 13.837 5.218 1.799 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.354 6.079 2.542 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.548 4.066 2.183 1.00 0.00 O ATOM 0 H ASP A 86 10.961 6.535 0.623 1.00 0.00 H new ATOM 0 HA ASP A 86 13.674 7.722 0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.843 4.874 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.463 5.523 -0.226 1.00 0.00 H new ATOM 1357 N TYR A 87 12.271 6.362 -2.009 1.00 0.00 N ATOM 1358 CA TYR A 87 12.027 6.554 -3.435 1.00 0.00 C ATOM 1359 C TYR A 87 10.757 7.362 -3.674 1.00 0.00 C ATOM 1360 O TYR A 87 10.733 8.264 -4.511 1.00 0.00 O ATOM 1361 CB TYR A 87 11.925 5.201 -4.147 1.00 0.00 C ATOM 1362 CG TYR A 87 13.007 4.221 -3.750 1.00 0.00 C ATOM 1363 CD1 TYR A 87 12.840 3.376 -2.661 1.00 0.00 C ATOM 1364 CD2 TYR A 87 14.194 4.144 -4.467 1.00 0.00 C ATOM 1365 CE1 TYR A 87 13.827 2.480 -2.297 1.00 0.00 C ATOM 1366 CE2 TYR A 87 15.185 3.250 -4.109 1.00 0.00 C ATOM 1367 CZ TYR A 87 14.998 2.420 -3.024 1.00 0.00 C ATOM 1368 OH TYR A 87 15.982 1.530 -2.663 1.00 0.00 O ATOM 0 H TYR A 87 12.044 5.429 -1.664 1.00 0.00 H new ATOM 0 HA TYR A 87 12.870 7.111 -3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 87 10.951 4.760 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.971 5.363 -5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 87 11.925 3.420 -2.090 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.345 4.793 -5.317 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.682 1.830 -1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.102 3.202 -4.677 1.00 0.00 H new ATOM 0 HH TYR A 87 16.741 1.614 -3.278 1.00 0.00 H new ATOM 1378 N SER A 88 9.703 7.023 -2.934 1.00 0.00 N ATOM 1379 CA SER A 88 8.413 7.701 -3.053 1.00 0.00 C ATOM 1380 C SER A 88 7.934 7.727 -4.501 1.00 0.00 C ATOM 1381 O SER A 88 8.628 7.269 -5.408 1.00 0.00 O ATOM 1382 CB SER A 88 8.488 9.126 -2.501 1.00 0.00 C ATOM 1383 OG SER A 88 9.806 9.643 -2.562 1.00 0.00 O ATOM 0 H SER A 88 9.718 6.276 -2.240 1.00 0.00 H new ATOM 0 HA SER A 88 7.693 7.136 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.817 9.772 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.141 9.135 -1.468 1.00 0.00 H new ATOM 0 HG SER A 88 10.163 9.524 -3.467 1.00 0.00 H new ATOM 1389 N ASN A 89 6.735 8.255 -4.711 1.00 0.00 N ATOM 1390 CA ASN A 89 6.165 8.326 -6.049 1.00 0.00 C ATOM 1391 C ASN A 89 5.291 9.568 -6.240 1.00 0.00 C ATOM 1392 O ASN A 89 4.903 9.867 -7.368 1.00 0.00 O ATOM 1393 CB ASN A 89 5.352 7.064 -6.332 1.00 0.00 C ATOM 1394 CG ASN A 89 6.213 5.895 -6.764 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.266 6.073 -7.377 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.761 4.688 -6.447 1.00 0.00 N ATOM 0 H ASN A 89 6.141 8.638 -3.976 1.00 0.00 H new ATOM 0 HA ASN A 89 6.991 8.400 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.795 6.788 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.619 7.277 -7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.292 3.859 -6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.883 4.590 -5.938 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.342 10.996 4.165 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.273 9.650 3.611 1.00 0.00 C ATOM 1600 C CYS A 104 -1.071 9.689 2.098 1.00 0.00 C ATOM 1601 O CYS A 104 -1.545 10.599 1.415 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.545 8.860 3.941 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.496 9.514 5.353 1.00 0.00 S ATOM 0 HA CYS A 104 -0.417 9.151 4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.188 8.847 3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.271 7.826 4.151 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.009 10.666 5.708 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.369 8.694 1.578 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.111 8.609 0.153 1.00 0.00 C ATOM 1610 C VAL A 105 -1.040 7.594 -0.500 1.00 0.00 C ATOM 1611 O VAL A 105 -1.361 6.559 0.085 1.00 0.00 O ATOM 1612 CB VAL A 105 1.353 8.229 -0.125 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.520 7.743 -1.553 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.258 9.418 0.134 1.00 0.00 C ATOM 0 H VAL A 105 0.032 7.933 2.125 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.300 9.593 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 105 1.633 7.418 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.563 7.480 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.892 6.867 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.225 8.533 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.292 9.138 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.972 10.242 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.161 9.729 1.174 1.00 0.00 H new ATOM 1624 N MET A 106 -1.478 7.911 -1.707 1.00 0.00 N ATOM 1625 CA MET A 106 -2.387 7.048 -2.451 1.00 0.00 C ATOM 1626 C MET A 106 -1.963 6.944 -3.910 1.00 0.00 C ATOM 1627 O MET A 106 -1.119 7.700 -4.366 1.00 0.00 O ATOM 1628 CB MET A 106 -3.813 7.595 -2.363 1.00 0.00 C ATOM 1629 CG MET A 106 -3.992 8.941 -3.047 1.00 0.00 C ATOM 1630 SD MET A 106 -5.603 9.107 -3.840 1.00 0.00 S ATOM 1631 CE MET A 106 -5.338 10.569 -4.840 1.00 0.00 C ATOM 0 H MET A 106 -1.217 8.766 -2.198 1.00 0.00 H new ATOM 0 HA MET A 106 -2.353 6.052 -2.010 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.498 6.875 -2.811 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.093 7.690 -1.314 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.869 9.737 -2.312 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.209 9.072 -3.793 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.248 10.801 -5.393 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.081 11.409 -4.195 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.524 10.387 -5.541 1.00 0.00 H new ATOM 1641 N MET A 107 -2.562 6.014 -4.644 1.00 0.00 N ATOM 1642 CA MET A 107 -2.240 5.846 -6.056 1.00 0.00 C ATOM 1643 C MET A 107 -3.495 6.013 -6.898 1.00 0.00 C ATOM 1644 O MET A 107 -4.594 5.654 -6.475 1.00 0.00 O ATOM 1645 CB MET A 107 -1.585 4.482 -6.331 1.00 0.00 C ATOM 1646 CG MET A 107 -2.481 3.263 -6.122 1.00 0.00 C ATOM 1647 SD MET A 107 -3.831 3.112 -7.321 1.00 0.00 S ATOM 1648 CE MET A 107 -3.039 3.610 -8.849 1.00 0.00 C ATOM 0 H MET A 107 -3.268 5.369 -4.289 1.00 0.00 H new ATOM 0 HA MET A 107 -1.519 6.616 -6.330 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.225 4.473 -7.360 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.711 4.383 -5.687 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.867 2.364 -6.169 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.905 3.307 -5.119 1.00 0.00 H new ATOM 0 HE1 MET A 107 -3.732 4.209 -9.440 1.00 0.00 H new ATOM 0 HE2 MET A 107 -2.151 4.200 -8.623 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.751 2.724 -9.415 1.00 0.00 H new ATOM 1707 N ARG A 112 1.047 5.924 -10.609 1.00 0.00 N ATOM 1708 CA ARG A 112 1.944 6.202 -9.495 1.00 0.00 C ATOM 1709 C ARG A 112 1.163 6.648 -8.262 1.00 0.00 C ATOM 1710 O ARG A 112 -0.019 6.339 -8.119 1.00 0.00 O ATOM 1711 CB ARG A 112 2.965 7.275 -9.888 1.00 0.00 C ATOM 1712 CG ARG A 112 2.376 8.406 -10.717 1.00 0.00 C ATOM 1713 CD ARG A 112 2.090 9.632 -9.866 1.00 0.00 C ATOM 1714 NE ARG A 112 1.102 10.512 -10.487 1.00 0.00 N ATOM 1715 CZ ARG A 112 -0.169 10.579 -10.105 1.00 0.00 C ATOM 1716 NH1 ARG A 112 -0.607 9.819 -9.109 1.00 0.00 N ATOM 1717 NH2 ARG A 112 -1.005 11.406 -10.718 1.00 0.00 N ATOM 0 HA ARG A 112 2.474 5.281 -9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.407 7.692 -8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.773 6.807 -10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.068 8.671 -11.517 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.455 8.069 -11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.730 9.317 -8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.016 10.184 -9.703 1.00 0.00 H new ATOM 0 HE ARG A 112 1.405 11.108 -11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.032 9.181 -8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.583 9.872 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.673 11.992 -11.484 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.980 11.456 -10.424 1.00 0.00 H new ATOM 1731 N TRP A 113 1.834 7.377 -7.377 1.00 0.00 N ATOM 1732 CA TRP A 113 1.218 7.870 -6.153 1.00 0.00 C ATOM 1733 C TRP A 113 0.987 9.362 -6.205 1.00 0.00 C ATOM 1734 O TRP A 113 1.609 10.085 -6.978 1.00 0.00 O ATOM 1735 CB TRP A 113 2.084 7.654 -4.919 1.00 0.00 C ATOM 1736 CG TRP A 113 2.649 6.294 -4.713 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.317 5.129 -5.334 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.675 5.982 -3.778 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.092 4.105 -4.839 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.931 4.608 -3.875 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.402 6.752 -2.868 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.891 3.977 -3.087 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.356 6.128 -2.088 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.592 4.751 -2.200 1.00 0.00 C ATOM 0 H TRP A 113 2.813 7.641 -7.487 1.00 0.00 H new ATOM 0 HA TRP A 113 0.287 7.307 -6.081 1.00 0.00 H new ATOM 0 HB2 TRP A 113 2.913 8.361 -4.960 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.490 7.909 -4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.561 5.024 -6.098 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.050 3.131 -5.139 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.222 7.813 -2.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.076 2.916 -3.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.929 6.710 -1.381 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.342 4.290 -1.574 1.00 0.00 H new ATOM 1755 N ASN A 114 0.141 9.810 -5.302 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.134 11.212 -5.135 1.00 0.00 C ATOM 1757 C ASN A 114 -0.200 11.502 -3.642 1.00 0.00 C ATOM 1758 O ASN A 114 -1.018 10.933 -2.918 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.453 11.593 -5.812 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.248 12.142 -7.210 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -0.211 12.733 -7.512 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -2.239 11.949 -8.072 1.00 0.00 N ATOM 0 H ASN A 114 -0.375 9.205 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 114 0.654 11.803 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.100 10.717 -5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -1.968 12.337 -5.204 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -2.158 12.296 -9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -3.081 11.454 -7.779 1.00 0.00 H new ATOM 1769 N ASP A 115 0.678 12.380 -3.193 1.00 0.00 N ATOM 1770 CA ASP A 115 0.755 12.757 -1.794 1.00 0.00 C ATOM 1771 C ASP A 115 -0.384 13.706 -1.426 1.00 0.00 C ATOM 1772 O ASP A 115 -0.520 14.781 -2.010 1.00 0.00 O ATOM 1773 CB ASP A 115 2.110 13.420 -1.538 1.00 0.00 C ATOM 1774 CG ASP A 115 2.404 13.610 -0.067 1.00 0.00 C ATOM 1775 OD1 ASP A 115 1.816 14.529 0.540 1.00 0.00 O ATOM 1776 OD2 ASP A 115 3.231 12.846 0.474 1.00 0.00 O ATOM 0 H ASP A 115 1.358 12.852 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 115 0.658 11.867 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.896 12.812 -1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.134 14.389 -2.036 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.206 13.300 -0.459 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.333 14.110 -0.025 1.00 0.00 C ATOM 1783 C ALA A 116 -2.719 13.790 1.413 1.00 0.00 C ATOM 1784 O ALA A 116 -2.341 12.753 1.947 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.521 13.905 -0.953 1.00 0.00 C ATOM 0 H ALA A 116 -1.109 12.414 0.036 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.032 15.157 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.357 14.518 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.245 14.195 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.814 12.855 -0.943 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.419 6.381 -2.111 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.162 5.025 -2.583 1.00 0.00 C ATOM 1881 C LEU A 122 -10.305 4.084 -2.228 1.00 0.00 C ATOM 1882 O LEU A 122 -11.348 4.512 -1.735 1.00 0.00 O ATOM 1883 CB LEU A 122 -7.858 4.498 -1.991 1.00 0.00 C ATOM 1884 CG LEU A 122 -6.663 5.432 -2.142 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.351 6.110 -0.819 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.457 4.666 -2.650 1.00 0.00 C ATOM 0 HA LEU A 122 -9.079 5.064 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.012 4.297 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -7.619 3.546 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.912 6.203 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.495 6.774 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.215 6.689 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.118 5.354 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.611 5.346 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.204 3.876 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.688 4.225 -3.620 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.098 2.797 -2.487 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.112 1.807 -2.193 1.00 0.00 C ATOM 1900 C GLY A 123 -10.549 0.401 -2.113 1.00 0.00 C ATOM 1901 O GLY A 123 -11.303 -0.569 -2.046 1.00 0.00 O ATOM 0 H GLY A 123 -9.242 2.423 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.594 2.056 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.883 1.842 -2.963 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.223 0.287 -2.115 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.572 -1.015 -2.035 1.00 0.00 C ATOM 1907 C ALA A 124 -7.482 -1.005 -0.978 1.00 0.00 C ATOM 1908 O ALA A 124 -6.698 -0.060 -0.896 1.00 0.00 O ATOM 1909 CB ALA A 124 -8.006 -1.416 -3.388 1.00 0.00 C ATOM 0 H ALA A 124 -8.582 1.078 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.320 -1.754 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.524 -2.390 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.813 -1.470 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.274 -0.675 -3.710 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.431 -2.059 -0.168 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.428 -2.145 0.883 1.00 0.00 C ATOM 1917 C TRP A 125 -5.352 -3.157 0.525 1.00 0.00 C ATOM 1918 O TRP A 125 -5.625 -4.342 0.343 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.063 -2.479 2.241 1.00 0.00 C ATOM 1920 CG TRP A 125 -7.881 -3.738 2.261 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -8.873 -4.095 1.394 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -7.788 -4.799 3.220 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.395 -5.315 1.747 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -8.746 -5.768 2.866 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -6.984 -5.026 4.341 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -8.922 -6.942 3.593 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -7.160 -6.192 5.063 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -8.122 -7.137 4.686 1.00 0.00 C ATOM 0 H TRP A 125 -8.066 -2.856 -0.220 1.00 0.00 H new ATOM 0 HA TRP A 125 -5.959 -1.165 0.970 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.271 -2.565 2.985 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.697 -1.646 2.545 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.200 -3.503 0.552 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.144 -5.804 1.256 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -6.238 -4.303 4.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -9.663 -7.673 3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -6.546 -6.377 5.932 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -8.235 -8.038 5.270 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.125 -2.666 0.418 1.00 0.00 N ATOM 1940 CA VAL A 126 -2.991 -3.498 0.073 1.00 0.00 C ATOM 1941 C VAL A 126 -2.033 -3.616 1.260 1.00 0.00 C ATOM 1942 O VAL A 126 -1.733 -2.630 1.934 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.251 -2.925 -1.155 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.819 -3.394 -1.197 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.953 -3.315 -2.439 1.00 0.00 C ATOM 0 H VAL A 126 -3.893 -1.684 0.568 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.360 -4.493 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.259 -1.839 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.324 -2.974 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.302 -3.065 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.794 -4.482 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.413 -2.900 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.981 -4.401 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.971 -2.925 -2.430 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.582 -4.837 1.517 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.680 -5.126 2.628 1.00 0.00 C ATOM 1957 C CYS A 127 0.450 -6.034 2.174 1.00 0.00 C ATOM 1958 O CYS A 127 0.383 -6.623 1.101 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.438 -5.785 3.783 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.235 -5.495 3.761 1.00 0.00 S ATOM 0 H CYS A 127 -1.830 -5.656 0.962 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.260 -4.182 2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.255 -6.859 3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.034 -5.416 4.725 1.00 0.00 H new ATOM 1965 N ASP A 128 1.492 -6.141 2.986 1.00 0.00 N ATOM 1966 CA ASP A 128 2.618 -6.989 2.648 1.00 0.00 C ATOM 1967 C ASP A 128 2.896 -7.972 3.776 1.00 0.00 C ATOM 1968 O ASP A 128 2.750 -7.648 4.953 1.00 0.00 O ATOM 1969 CB ASP A 128 3.859 -6.141 2.375 1.00 0.00 C ATOM 1970 CG ASP A 128 4.456 -5.561 3.640 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.997 -4.483 4.074 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.384 -6.183 4.199 1.00 0.00 O ATOM 0 H ASP A 128 1.578 -5.653 3.878 1.00 0.00 H new ATOM 0 HA ASP A 128 2.371 -7.549 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.608 -6.751 1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.598 -5.330 1.695 1.00 0.00 H new ATOM 1977 N ARG A 129 3.295 -9.175 3.398 1.00 0.00 N ATOM 1978 CA ARG A 129 3.596 -10.225 4.358 1.00 0.00 C ATOM 1979 C ARG A 129 4.530 -11.250 3.740 1.00 0.00 C ATOM 1980 O ARG A 129 4.499 -11.475 2.531 1.00 0.00 O ATOM 1981 CB ARG A 129 2.306 -10.904 4.828 1.00 0.00 C ATOM 1982 CG ARG A 129 2.528 -11.973 5.886 1.00 0.00 C ATOM 1983 CD ARG A 129 2.806 -11.360 7.248 1.00 0.00 C ATOM 1984 NE ARG A 129 3.609 -12.241 8.092 1.00 0.00 N ATOM 1985 CZ ARG A 129 3.094 -13.195 8.862 1.00 0.00 C ATOM 1986 NH1 ARG A 129 1.782 -13.390 8.895 1.00 0.00 N ATOM 1987 NH2 ARG A 129 3.892 -13.954 9.602 1.00 0.00 N ATOM 0 H ARG A 129 3.419 -9.451 2.424 1.00 0.00 H new ATOM 0 HA ARG A 129 4.088 -9.775 5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.631 -10.146 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.809 -11.354 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.648 -12.614 5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.365 -12.607 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.325 -10.410 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.862 -11.142 7.747 1.00 0.00 H new ATOM 0 HE ARG A 129 4.622 -12.118 8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.165 -12.807 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.390 -14.123 9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.901 -13.806 9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.497 -14.686 10.192 1.00 0.00 H new ATOM 2001 N LEU A 130 5.353 -11.875 4.564 1.00 0.00 N ATOM 2002 CA LEU A 130 6.288 -12.879 4.077 1.00 0.00 C ATOM 2003 C LEU A 130 5.544 -14.117 3.585 1.00 0.00 C ATOM 2004 O LEU A 130 4.526 -14.508 4.157 1.00 0.00 O ATOM 2005 CB LEU A 130 7.289 -13.249 5.173 1.00 0.00 C ATOM 2006 CG LEU A 130 8.519 -12.336 5.273 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.742 -13.026 4.690 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.275 -11.003 4.572 1.00 0.00 C ATOM 0 H LEU A 130 5.394 -11.707 5.569 1.00 0.00 H new ATOM 0 HA LEU A 130 6.838 -12.459 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.772 -13.241 6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.628 -14.271 5.003 1.00 0.00 H new ATOM 0 HG LEU A 130 8.701 -12.133 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.605 -12.365 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.938 -13.946 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.561 -13.263 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.164 -10.378 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.059 -11.180 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.428 -10.497 5.036 1.00 0.00 H new ATOM 2020 N ALA A 131 6.055 -14.717 2.512 1.00 0.00 N ATOM 2021 CA ALA A 131 5.442 -15.905 1.922 1.00 0.00 C ATOM 2022 C ALA A 131 5.079 -16.940 2.982 1.00 0.00 C ATOM 2023 O ALA A 131 5.640 -16.947 4.079 1.00 0.00 O ATOM 2024 CB ALA A 131 6.374 -16.518 0.887 1.00 0.00 C ATOM 0 H ALA A 131 6.896 -14.398 2.031 1.00 0.00 H new ATOM 0 HA ALA A 131 4.518 -15.593 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.906 -17.402 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.572 -15.791 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.312 -16.801 1.364 1.00 0.00 H new