USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot 80:sc= -1.43 USER MOD Set 1.2: A 102 CYS SG : rot 30:sc= -3.62! USER MOD Set 1.3: A 104 LYS NZ :NH3+ -151:sc= 0.68 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -1.3 K(o=-6.1,f=-9.3) USER MOD Set 1.5: A 116 HIS : no HD1:sc= -0.488 K(o=-6.1,f=-12!) USER MOD Set 1.6: A 119 HIS : +bothHN:sc= 0.0237 K(o=-6.1,f=-12!) USER MOD Set 2.1: A 96 SER OG : rot 150:sc= 0.48 USER MOD Set 2.2: A 105 LYS NZ :NH3+ -155:sc= 0.579 (180deg=-0.0911) USER MOD Set 3.1: A 69 CYS SG : rot 100:sc= 2.12 USER MOD Set 3.2: A 71 THR OG1 : rot 72:sc= 0.549 USER MOD Set 3.3: A 72 CYS SG : rot -38:sc= 0.173 USER MOD Set 3.4: A 85 HIS : no HD1:sc= -0.0551 K(o=2.6,f=1.5) USER MOD Set 3.5: A 89 HIS : no HD1:sc= -0.206 K(o=2.6,f=0.19) USER MOD Set 4.1: A 70 LYS NZ :NH3+ 171:sc= 0.185 (180deg=-0.0965) USER MOD Set 4.2: A 86 THR OG1 : rot 50:sc= 1.62 USER MOD Set 5.1: A 68 GLN : amide:sc= 0.00951 K(o=1.8,f=-1.4!) USER MOD Set 5.2: A 73 GLN : amide:sc= 1.74 K(o=1.8,f=-1.4) USER MOD Set 6.1: A 39 CYS SG : rot -140:sc= 0.42 USER MOD Set 6.2: A 57 HIS : no HD1:sc= -1.66 X(o=-0.47,f=-0.74) USER MOD Set 6.3: A 58 GLN : amide:sc= 0.796 K(o=-0.47,f=-2) USER MOD Set 6.4: A 61 HIS : no HE2:sc= -0.0242 X(o=-0.47,f=-0.31) USER MOD Set 7.1: A 9 CYS SG : rot 156:sc= 1.52 USER MOD Set 7.2: A 14 CYS SG : rot 120:sc= 0.876 USER MOD Set 7.3: A 16 LYS NZ :NH3+ -136:sc= 1.34 (180deg=-0.0518) USER MOD Set 7.4: A 18 TYR OH : rot 180:sc= -0.0649 USER MOD Set 7.5: A 27 HIS : no HE2:sc= -3 K(o=-1.4,f=-3.5) USER MOD Set 7.6: A 31 HIS : no HE2:sc= -2.06 K(o=-1.4,f=-6.6!) USER MOD Single : A 8 MET CE :methyl 165:sc= -0.0414 (180deg=-0.334) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.757 K(o=0.76,f=-0.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-7!) USER MOD Single : A 25 GLN : amide:sc= 1.1 K(o=1.1,f=-8.2!) USER MOD Single : A 26 MET CE :methyl 166:sc= -0.437 (180deg=-1.03) USER MOD Single : A 28 SER OG : rot 70:sc= 1.14 USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= 0.367 (180deg=-0.18) USER MOD Single : A 32 THR OG1 : rot -67:sc= 1.33 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 1.21 K(o=1.2,f=-0.022) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -16:sc= 0.96 USER MOD Single : A 53 GLN : amide:sc= 1.17 K(o=1.2,f=-5.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -68:sc= 0.685 USER MOD Single : A 65 LYS NZ :NH3+ -127:sc= 0.0687 (180deg=-0.126) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc=-0.00787 (180deg=-0.126) USER MOD Single : A 77 SER OG : rot -92:sc= 1.15 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.67 K(o=-0.67,f=-1.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 88 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 90 THR OG1 : rot 64:sc= 1.2 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 45:sc= 1.03 USER MOD Single : A 103 GLN : amide:sc= 0.98 K(o=0.98,f=-0.13) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 117 ASN : amide:sc= -1.39! C(o=-1.4!,f=-3.2!) USER MOD Single : A 118 MET CE :methyl -170:sc= 0 (180deg=-0.095) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 3.479 19.971 -7.869 1.00 0.00 N ATOM 98 CA PHE A 7 3.511 19.406 -6.504 1.00 0.00 C ATOM 99 C PHE A 7 4.944 19.389 -5.966 1.00 0.00 C ATOM 100 O PHE A 7 5.883 19.411 -6.730 1.00 0.00 O ATOM 101 CB PHE A 7 2.969 17.954 -6.527 1.00 0.00 C ATOM 102 CG PHE A 7 1.497 17.762 -6.836 1.00 0.00 C ATOM 103 CD1 PHE A 7 1.026 17.881 -8.153 1.00 0.00 C ATOM 104 CD2 PHE A 7 0.593 17.435 -5.811 1.00 0.00 C ATOM 105 CE1 PHE A 7 -0.350 17.809 -8.420 1.00 0.00 C ATOM 106 CE2 PHE A 7 -0.787 17.358 -6.073 1.00 0.00 C ATOM 107 CZ PHE A 7 -1.260 17.579 -7.377 1.00 0.00 C ATOM 0 HA PHE A 7 2.890 20.028 -5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 7 3.544 17.392 -7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 7 3.170 17.504 -5.555 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.725 18.028 -8.963 1.00 0.00 H new ATOM 0 HD2 PHE A 7 0.961 17.241 -4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.709 17.931 -9.431 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.479 17.130 -5.276 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.321 17.572 -7.576 1.00 0.00 H new ATOM 117 N MET A 8 5.104 19.387 -4.641 1.00 0.00 N ATOM 118 CA MET A 8 6.428 19.139 -4.030 1.00 0.00 C ATOM 119 C MET A 8 6.307 18.187 -2.864 1.00 0.00 C ATOM 120 O MET A 8 5.362 18.267 -2.075 1.00 0.00 O ATOM 121 CB MET A 8 7.078 20.448 -3.556 1.00 0.00 C ATOM 122 CG MET A 8 7.367 21.460 -4.668 1.00 0.00 C ATOM 123 SD MET A 8 8.290 22.939 -4.169 1.00 0.00 S ATOM 124 CE MET A 8 9.881 22.206 -3.684 1.00 0.00 C ATOM 0 H MET A 8 4.351 19.551 -3.972 1.00 0.00 H new ATOM 0 HA MET A 8 7.062 18.692 -4.796 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.425 20.916 -2.819 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.013 20.210 -3.048 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.925 20.955 -5.457 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.418 21.776 -5.101 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.635 22.990 -3.609 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.774 21.711 -2.719 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.189 21.477 -4.433 1.00 0.00 H new ATOM 134 N CYS A 9 7.311 17.333 -2.717 1.00 0.00 N ATOM 135 CA CYS A 9 7.437 16.479 -1.553 1.00 0.00 C ATOM 136 C CYS A 9 7.658 17.334 -0.278 1.00 0.00 C ATOM 137 O CYS A 9 8.088 18.490 -0.356 1.00 0.00 O ATOM 138 CB CYS A 9 8.615 15.506 -1.761 1.00 0.00 C ATOM 139 SG CYS A 9 9.279 14.749 -0.261 1.00 0.00 S ATOM 0 H CYS A 9 8.058 17.216 -3.402 1.00 0.00 H new ATOM 0 HA CYS A 9 6.518 15.908 -1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.292 14.712 -2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.421 16.042 -2.263 1.00 0.00 H new ATOM 0 HG CYS A 9 9.867 13.630 -0.564 1.00 0.00 H new ATOM 144 N ALA A 10 7.357 16.750 0.883 1.00 0.00 N ATOM 145 CA ALA A 10 7.534 17.425 2.170 1.00 0.00 C ATOM 146 C ALA A 10 8.155 16.468 3.213 1.00 0.00 C ATOM 147 O ALA A 10 8.110 16.733 4.416 1.00 0.00 O ATOM 148 CB ALA A 10 6.179 17.948 2.667 1.00 0.00 C ATOM 0 H ALA A 10 6.986 15.803 0.958 1.00 0.00 H new ATOM 0 HA ALA A 10 8.217 18.264 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.312 18.450 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.773 18.653 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.489 17.113 2.788 1.00 0.00 H new ATOM 154 N TYR A 11 8.799 15.394 2.731 1.00 0.00 N ATOM 155 CA TYR A 11 9.574 14.514 3.599 1.00 0.00 C ATOM 156 C TYR A 11 11.012 15.068 3.763 1.00 0.00 C ATOM 157 O TYR A 11 11.719 15.276 2.770 1.00 0.00 O ATOM 158 CB TYR A 11 9.624 13.100 3.012 1.00 0.00 C ATOM 159 CG TYR A 11 10.352 12.106 3.906 1.00 0.00 C ATOM 160 CD1 TYR A 11 9.692 11.446 4.965 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.724 11.883 3.701 1.00 0.00 C ATOM 162 CE1 TYR A 11 10.423 10.621 5.848 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.454 11.064 4.567 1.00 0.00 C ATOM 164 CZ TYR A 11 11.818 10.477 5.677 1.00 0.00 C ATOM 165 OH TYR A 11 12.562 9.759 6.554 1.00 0.00 O ATOM 0 H TYR A 11 8.795 15.120 1.748 1.00 0.00 H new ATOM 0 HA TYR A 11 9.093 14.472 4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.607 12.748 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.117 13.134 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.628 11.572 5.100 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.221 12.350 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.918 10.103 6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.503 10.882 4.385 1.00 0.00 H new ATOM 0 HH TYR A 11 13.501 9.771 6.273 1.00 0.00 H new ATOM 175 N PRO A 12 11.449 15.332 5.019 1.00 0.00 N ATOM 176 CA PRO A 12 12.784 15.864 5.288 1.00 0.00 C ATOM 177 C PRO A 12 13.877 14.872 4.889 1.00 0.00 C ATOM 178 O PRO A 12 14.155 13.916 5.612 1.00 0.00 O ATOM 179 CB PRO A 12 12.788 16.117 6.805 1.00 0.00 C ATOM 180 CG PRO A 12 11.738 15.161 7.367 1.00 0.00 C ATOM 181 CD PRO A 12 10.704 15.087 6.248 1.00 0.00 C ATOM 0 HA PRO A 12 12.992 16.766 4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.770 15.922 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.540 17.154 7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.162 14.182 7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.304 15.538 8.293 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.218 14.112 6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.920 15.831 6.387 1.00 0.00 H new ATOM 189 N GLY A 13 14.426 15.054 3.682 1.00 0.00 N ATOM 190 CA GLY A 13 15.316 14.063 3.084 1.00 0.00 C ATOM 191 C GLY A 13 15.199 14.076 1.545 1.00 0.00 C ATOM 192 O GLY A 13 16.123 13.674 0.842 1.00 0.00 O ATOM 0 H GLY A 13 14.267 15.879 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.346 14.269 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 13 15.070 13.071 3.463 1.00 0.00 H new ATOM 196 N CYS A 14 14.052 14.587 1.045 1.00 0.00 N ATOM 197 CA CYS A 14 13.807 14.738 -0.396 1.00 0.00 C ATOM 198 C CYS A 14 13.291 16.167 -0.706 1.00 0.00 C ATOM 199 O CYS A 14 14.066 17.040 -1.100 1.00 0.00 O ATOM 200 CB CYS A 14 12.781 13.697 -0.846 1.00 0.00 C ATOM 201 SG CYS A 14 12.121 13.993 -2.513 1.00 0.00 S ATOM 0 H CYS A 14 13.278 14.903 1.630 1.00 0.00 H new ATOM 0 HA CYS A 14 14.740 14.584 -0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.242 12.710 -0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.955 13.683 -0.135 1.00 0.00 H new ATOM 0 HG CYS A 14 12.393 12.975 -3.275 1.00 0.00 H new ATOM 206 N ASN A 15 11.981 16.397 -0.466 1.00 0.00 N ATOM 207 CA ASN A 15 11.359 17.728 -0.626 1.00 0.00 C ATOM 208 C ASN A 15 11.564 18.284 -2.068 1.00 0.00 C ATOM 209 O ASN A 15 11.811 19.478 -2.256 1.00 0.00 O ATOM 210 CB ASN A 15 11.948 18.709 0.424 1.00 0.00 C ATOM 211 CG ASN A 15 11.328 20.104 0.508 1.00 0.00 C ATOM 212 OD1 ASN A 15 12.003 21.067 0.835 1.00 0.00 O ATOM 213 ND2 ASN A 15 10.044 20.287 0.281 1.00 0.00 N ATOM 0 H ASN A 15 11.332 15.673 -0.159 1.00 0.00 H new ATOM 0 HA ASN A 15 10.286 17.627 -0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.863 18.243 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.012 18.825 0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.636 21.217 0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.457 19.499 0.006 1.00 0.00 H new ATOM 220 N LYS A 16 11.431 17.404 -3.076 1.00 0.00 N ATOM 221 CA LYS A 16 11.628 17.793 -4.484 1.00 0.00 C ATOM 222 C LYS A 16 10.296 18.030 -5.183 1.00 0.00 C ATOM 223 O LYS A 16 9.238 17.718 -4.646 1.00 0.00 O ATOM 224 CB LYS A 16 12.412 16.689 -5.223 1.00 0.00 C ATOM 225 CG LYS A 16 13.873 16.635 -4.738 1.00 0.00 C ATOM 226 CD LYS A 16 14.732 15.627 -5.520 1.00 0.00 C ATOM 227 CE LYS A 16 14.452 14.161 -5.165 1.00 0.00 C ATOM 228 NZ LYS A 16 14.904 13.830 -3.799 1.00 0.00 N ATOM 0 H LYS A 16 11.189 16.422 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 16 12.193 18.725 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.933 15.724 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.387 16.876 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.316 17.627 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.889 16.373 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.562 15.771 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.785 15.841 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.383 13.964 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.955 13.511 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.396 12.914 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.554 14.568 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.081 13.775 -3.165 1.00 0.00 H new ATOM 242 N ARG A 17 10.354 18.630 -6.381 1.00 0.00 N ATOM 243 CA ARG A 17 9.150 19.086 -7.072 1.00 0.00 C ATOM 244 C ARG A 17 8.706 18.087 -8.147 1.00 0.00 C ATOM 245 O ARG A 17 9.467 17.745 -9.049 1.00 0.00 O ATOM 246 CB ARG A 17 9.417 20.461 -7.717 1.00 0.00 C ATOM 247 CG ARG A 17 8.187 21.150 -8.332 1.00 0.00 C ATOM 248 CD ARG A 17 8.588 22.540 -8.843 1.00 0.00 C ATOM 249 NE ARG A 17 7.426 23.339 -9.267 1.00 0.00 N ATOM 250 CZ ARG A 17 6.682 24.130 -8.499 1.00 0.00 C ATOM 251 NH1 ARG A 17 6.827 24.203 -7.193 1.00 0.00 N ATOM 252 NH2 ARG A 17 5.758 24.888 -9.046 1.00 0.00 N ATOM 0 H ARG A 17 11.222 18.808 -6.886 1.00 0.00 H new ATOM 0 HA ARG A 17 8.348 19.168 -6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.843 21.121 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.171 20.339 -8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.791 20.549 -9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.395 21.238 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.124 23.072 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.276 22.431 -9.681 1.00 0.00 H new ATOM 0 HE ARG A 17 7.165 23.280 -10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.535 23.637 -6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.231 24.826 -6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.614 24.868 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.185 25.496 -8.461 1.00 0.00 H new ATOM 266 N TYR A 18 7.437 17.694 -8.067 1.00 0.00 N ATOM 267 CA TYR A 18 6.800 16.823 -9.033 1.00 0.00 C ATOM 268 C TYR A 18 5.878 17.629 -9.975 1.00 0.00 C ATOM 269 O TYR A 18 5.514 18.774 -9.683 1.00 0.00 O ATOM 270 CB TYR A 18 5.971 15.773 -8.281 1.00 0.00 C ATOM 271 CG TYR A 18 6.872 14.796 -7.569 1.00 0.00 C ATOM 272 CD1 TYR A 18 7.298 13.638 -8.238 1.00 0.00 C ATOM 273 CD2 TYR A 18 7.434 15.142 -6.325 1.00 0.00 C ATOM 274 CE1 TYR A 18 8.412 12.930 -7.759 1.00 0.00 C ATOM 275 CE2 TYR A 18 8.494 14.385 -5.806 1.00 0.00 C ATOM 276 CZ TYR A 18 9.056 13.349 -6.577 1.00 0.00 C ATOM 277 OH TYR A 18 10.235 12.792 -6.197 1.00 0.00 O ATOM 0 H TYR A 18 6.816 17.982 -7.311 1.00 0.00 H new ATOM 0 HA TYR A 18 7.568 16.339 -9.636 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.318 16.265 -7.560 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.328 15.239 -8.981 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.772 13.293 -9.116 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.050 15.987 -5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.775 12.066 -8.295 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.878 14.596 -4.819 1.00 0.00 H new ATOM 0 HH TYR A 18 10.535 13.201 -5.359 1.00 0.00 H new ATOM 287 N PHE A 19 5.449 16.986 -11.061 1.00 0.00 N ATOM 288 CA PHE A 19 4.514 17.581 -12.016 1.00 0.00 C ATOM 289 C PHE A 19 3.334 16.616 -12.287 1.00 0.00 C ATOM 290 O PHE A 19 2.923 16.420 -13.429 1.00 0.00 O ATOM 291 CB PHE A 19 5.251 17.905 -13.326 1.00 0.00 C ATOM 292 CG PHE A 19 6.151 16.833 -13.923 1.00 0.00 C ATOM 293 CD1 PHE A 19 7.505 16.760 -13.539 1.00 0.00 C ATOM 294 CD2 PHE A 19 5.668 15.960 -14.918 1.00 0.00 C ATOM 295 CE1 PHE A 19 8.369 15.831 -14.148 1.00 0.00 C ATOM 296 CE2 PHE A 19 6.530 15.027 -15.524 1.00 0.00 C ATOM 297 CZ PHE A 19 7.882 14.967 -15.144 1.00 0.00 C ATOM 0 H PHE A 19 5.740 16.039 -11.303 1.00 0.00 H new ATOM 0 HA PHE A 19 4.113 18.503 -11.595 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.503 18.167 -14.074 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.858 18.794 -13.157 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.882 17.421 -12.773 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.631 16.007 -15.217 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.406 15.782 -13.850 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.152 14.356 -16.282 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.546 14.258 -15.617 1.00 0.00 H new ATOM 307 N LYS A 20 2.766 16.078 -11.198 1.00 0.00 N ATOM 308 CA LYS A 20 1.570 15.209 -11.270 1.00 0.00 C ATOM 309 C LYS A 20 1.163 14.759 -9.868 1.00 0.00 C ATOM 310 O LYS A 20 2.015 14.405 -9.056 1.00 0.00 O ATOM 311 CB LYS A 20 1.850 13.963 -12.150 1.00 0.00 C ATOM 312 CG LYS A 20 0.906 13.919 -13.360 1.00 0.00 C ATOM 313 CD LYS A 20 1.109 12.651 -14.194 1.00 0.00 C ATOM 314 CE LYS A 20 0.187 12.699 -15.414 1.00 0.00 C ATOM 315 NZ LYS A 20 0.366 11.509 -16.267 1.00 0.00 N ATOM 0 H LYS A 20 3.113 16.227 -10.251 1.00 0.00 H new ATOM 0 HA LYS A 20 0.759 15.783 -11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.885 13.980 -12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.726 13.058 -11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.127 13.967 -13.017 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.075 14.796 -13.985 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.149 12.573 -14.512 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.892 11.768 -13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.851 12.762 -15.086 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.393 13.599 -15.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.272 11.570 -17.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.351 11.464 -16.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.146 10.653 -15.719 1.00 0.00 H new ATOM 329 N LEU A 21 -0.146 14.669 -9.623 1.00 0.00 N ATOM 330 CA LEU A 21 -0.652 14.191 -8.336 1.00 0.00 C ATOM 331 C LEU A 21 -0.301 12.714 -8.141 1.00 0.00 C ATOM 332 O LEU A 21 0.325 12.345 -7.160 1.00 0.00 O ATOM 333 CB LEU A 21 -2.185 14.384 -8.267 1.00 0.00 C ATOM 334 CG LEU A 21 -2.796 14.193 -6.859 1.00 0.00 C ATOM 335 CD1 LEU A 21 -4.145 14.916 -6.781 1.00 0.00 C ATOM 336 CD2 LEU A 21 -3.052 12.724 -6.493 1.00 0.00 C ATOM 0 H LEU A 21 -0.871 14.920 -10.295 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.184 14.769 -7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.428 15.386 -8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.658 13.680 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.064 14.599 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.574 14.780 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.999 15.979 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.823 14.503 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.481 12.668 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.746 12.286 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.111 12.174 -6.516 1.00 0.00 H new ATOM 348 N SER A 22 -0.711 11.881 -9.099 1.00 0.00 N ATOM 349 CA SER A 22 -0.514 10.427 -9.014 1.00 0.00 C ATOM 350 C SER A 22 0.955 10.045 -9.112 1.00 0.00 C ATOM 351 O SER A 22 1.398 9.112 -8.460 1.00 0.00 O ATOM 352 CB SER A 22 -1.290 9.730 -10.134 1.00 0.00 C ATOM 353 OG SER A 22 -2.673 9.956 -9.978 1.00 0.00 O ATOM 0 H SER A 22 -1.185 12.188 -9.949 1.00 0.00 H new ATOM 0 HA SER A 22 -0.884 10.105 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.960 10.104 -11.103 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.084 8.660 -10.118 1.00 0.00 H new ATOM 0 HG SER A 22 -3.161 9.508 -10.700 1.00 0.00 H new ATOM 359 N HIS A 23 1.715 10.776 -9.924 1.00 0.00 N ATOM 360 CA HIS A 23 3.134 10.459 -10.088 1.00 0.00 C ATOM 361 C HIS A 23 3.919 10.866 -8.821 1.00 0.00 C ATOM 362 O HIS A 23 4.799 10.126 -8.360 1.00 0.00 O ATOM 363 CB HIS A 23 3.694 11.147 -11.357 1.00 0.00 C ATOM 364 CG HIS A 23 4.739 12.231 -11.389 1.00 0.00 C ATOM 365 ND1 HIS A 23 5.748 12.263 -12.324 1.00 0.00 N ATOM 366 CD2 HIS A 23 4.722 13.453 -10.777 1.00 0.00 C ATOM 367 CE1 HIS A 23 6.319 13.473 -12.271 1.00 0.00 C ATOM 368 NE2 HIS A 23 5.750 14.213 -11.322 1.00 0.00 N ATOM 0 H HIS A 23 1.384 11.573 -10.467 1.00 0.00 H new ATOM 0 HA HIS A 23 3.250 9.383 -10.219 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.086 10.342 -11.979 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.828 11.558 -11.875 1.00 0.00 H new ATOM 0 HD1 HIS A 23 6.014 11.500 -12.947 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.033 13.771 -10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.127 13.802 -12.908 1.00 0.00 H new ATOM 376 N LEU A 24 3.465 11.943 -8.159 1.00 0.00 N ATOM 377 CA LEU A 24 3.967 12.295 -6.846 1.00 0.00 C ATOM 378 C LEU A 24 3.425 11.311 -5.766 1.00 0.00 C ATOM 379 O LEU A 24 4.139 10.954 -4.835 1.00 0.00 O ATOM 380 CB LEU A 24 3.571 13.743 -6.505 1.00 0.00 C ATOM 381 CG LEU A 24 3.966 14.375 -5.149 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.804 14.352 -4.148 1.00 0.00 C ATOM 383 CD2 LEU A 24 5.202 13.785 -4.471 1.00 0.00 C ATOM 0 H LEU A 24 2.752 12.576 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 24 5.054 12.219 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.983 14.380 -7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.486 13.805 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 24 4.224 15.397 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.123 14.805 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.963 14.914 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.499 13.321 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.384 14.304 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.038 12.725 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.067 13.904 -5.124 1.00 0.00 H new ATOM 395 N GLN A 25 2.195 10.808 -5.955 1.00 0.00 N ATOM 396 CA GLN A 25 1.639 9.766 -5.070 1.00 0.00 C ATOM 397 C GLN A 25 2.524 8.503 -5.105 1.00 0.00 C ATOM 398 O GLN A 25 2.852 7.945 -4.061 1.00 0.00 O ATOM 399 CB GLN A 25 0.194 9.410 -5.492 1.00 0.00 C ATOM 400 CG GLN A 25 -0.558 8.637 -4.387 1.00 0.00 C ATOM 401 CD GLN A 25 -1.659 7.710 -4.911 1.00 0.00 C ATOM 402 OE1 GLN A 25 -1.671 6.519 -4.624 1.00 0.00 O ATOM 403 NE2 GLN A 25 -2.616 8.191 -5.682 1.00 0.00 N ATOM 0 H GLN A 25 1.569 11.101 -6.705 1.00 0.00 H new ATOM 0 HA GLN A 25 1.620 10.156 -4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.350 10.324 -5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.219 8.809 -6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.160 8.046 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.000 9.353 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.622 9.180 -5.931 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.350 7.574 -6.029 1.00 0.00 H new ATOM 412 N MET A 26 2.989 8.123 -6.310 1.00 0.00 N ATOM 413 CA MET A 26 3.958 7.027 -6.450 1.00 0.00 C ATOM 414 C MET A 26 5.244 7.345 -5.666 1.00 0.00 C ATOM 415 O MET A 26 5.658 6.571 -4.801 1.00 0.00 O ATOM 416 CB MET A 26 4.305 6.798 -7.939 1.00 0.00 C ATOM 417 CG MET A 26 3.169 6.453 -8.909 1.00 0.00 C ATOM 418 SD MET A 26 1.953 5.232 -8.362 1.00 0.00 S ATOM 419 CE MET A 26 0.460 6.234 -8.104 1.00 0.00 C ATOM 0 H MET A 26 2.711 8.556 -7.191 1.00 0.00 H new ATOM 0 HA MET A 26 3.507 6.121 -6.046 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.794 7.700 -8.308 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.039 5.994 -7.989 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.638 7.374 -9.148 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.615 6.093 -9.836 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.406 5.579 -8.011 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.569 6.822 -7.193 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.320 6.903 -8.953 1.00 0.00 H new ATOM 429 N HIS A 27 5.795 8.556 -5.880 1.00 0.00 N ATOM 430 CA HIS A 27 6.993 9.013 -5.139 1.00 0.00 C ATOM 431 C HIS A 27 6.741 9.008 -3.613 1.00 0.00 C ATOM 432 O HIS A 27 7.618 8.635 -2.831 1.00 0.00 O ATOM 433 CB HIS A 27 7.375 10.438 -5.583 1.00 0.00 C ATOM 434 CG HIS A 27 8.318 11.059 -4.588 1.00 0.00 C ATOM 435 ND1 HIS A 27 9.620 10.679 -4.338 1.00 0.00 N ATOM 436 CD2 HIS A 27 7.979 12.004 -3.662 1.00 0.00 C ATOM 437 CE1 HIS A 27 10.067 11.432 -3.318 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.103 12.268 -2.907 1.00 0.00 N ATOM 0 H HIS A 27 5.435 9.232 -6.554 1.00 0.00 H new ATOM 0 HA HIS A 27 7.807 8.323 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.843 10.407 -6.567 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.478 11.050 -5.676 1.00 0.00 H new ATOM 0 HD1 HIS A 27 10.146 9.960 -4.835 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.008 12.461 -3.543 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.058 11.372 -2.892 1.00 0.00 H new ATOM 446 N SER A 28 5.504 9.307 -3.222 1.00 0.00 N ATOM 447 CA SER A 28 5.151 9.378 -1.804 1.00 0.00 C ATOM 448 C SER A 28 5.376 8.027 -1.123 1.00 0.00 C ATOM 449 O SER A 28 5.836 7.971 0.018 1.00 0.00 O ATOM 450 CB SER A 28 3.688 9.803 -1.642 1.00 0.00 C ATOM 451 OG SER A 28 3.423 10.998 -2.351 1.00 0.00 O ATOM 0 H SER A 28 4.734 9.503 -3.861 1.00 0.00 H new ATOM 0 HA SER A 28 5.793 10.120 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.034 9.010 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.463 9.946 -0.585 1.00 0.00 H new ATOM 0 HG SER A 28 3.449 10.819 -3.314 1.00 0.00 H new ATOM 457 N ARG A 29 5.120 6.928 -1.864 1.00 0.00 N ATOM 458 CA ARG A 29 5.303 5.571 -1.330 1.00 0.00 C ATOM 459 C ARG A 29 6.736 5.370 -0.826 1.00 0.00 C ATOM 460 O ARG A 29 6.946 4.751 0.222 1.00 0.00 O ATOM 461 CB ARG A 29 4.979 4.524 -2.407 1.00 0.00 C ATOM 462 CG ARG A 29 3.559 4.682 -2.974 1.00 0.00 C ATOM 463 CD ARG A 29 3.114 3.451 -3.779 1.00 0.00 C ATOM 464 NE ARG A 29 2.002 3.718 -4.716 1.00 0.00 N ATOM 465 CZ ARG A 29 0.868 4.391 -4.537 1.00 0.00 C ATOM 466 NH1 ARG A 29 0.501 4.968 -3.418 1.00 0.00 N ATOM 467 NH2 ARG A 29 0.019 4.496 -5.522 1.00 0.00 N ATOM 0 H ARG A 29 4.788 6.958 -2.828 1.00 0.00 H new ATOM 0 HA ARG A 29 4.619 5.445 -0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.702 4.607 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.088 3.526 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.860 4.851 -2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.521 5.565 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.966 3.069 -4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.812 2.666 -3.086 1.00 0.00 H new ATOM 0 HE ARG A 29 2.123 3.323 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.105 4.920 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.388 5.465 -3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.226 4.064 -6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.852 5.010 -5.392 1.00 0.00 H new ATOM 481 N LYS A 30 7.722 5.935 -1.553 1.00 0.00 N ATOM 482 CA LYS A 30 9.143 5.800 -1.178 1.00 0.00 C ATOM 483 C LYS A 30 9.393 6.340 0.238 1.00 0.00 C ATOM 484 O LYS A 30 10.255 5.840 0.951 1.00 0.00 O ATOM 485 CB LYS A 30 10.027 6.559 -2.187 1.00 0.00 C ATOM 486 CG LYS A 30 11.550 6.513 -1.948 1.00 0.00 C ATOM 487 CD LYS A 30 12.223 5.132 -2.081 1.00 0.00 C ATOM 488 CE LYS A 30 12.212 4.253 -0.819 1.00 0.00 C ATOM 489 NZ LYS A 30 12.936 4.877 0.309 1.00 0.00 N ATOM 0 H LYS A 30 7.561 6.485 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 30 9.400 4.741 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.827 6.160 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.715 7.603 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.027 7.195 -2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.751 6.896 -0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.730 4.585 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.259 5.282 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.181 4.060 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.664 3.288 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.386 4.137 0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.666 5.520 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.267 5.414 0.897 1.00 0.00 H new ATOM 503 N HIS A 31 8.612 7.346 0.642 1.00 0.00 N ATOM 504 CA HIS A 31 8.781 7.972 1.948 1.00 0.00 C ATOM 505 C HIS A 31 7.939 7.272 3.026 1.00 0.00 C ATOM 506 O HIS A 31 8.287 7.318 4.196 1.00 0.00 O ATOM 507 CB HIS A 31 8.423 9.456 1.877 1.00 0.00 C ATOM 508 CG HIS A 31 9.527 10.202 1.166 1.00 0.00 C ATOM 509 ND1 HIS A 31 10.874 10.028 1.410 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.401 11.169 0.203 1.00 0.00 C ATOM 511 CE1 HIS A 31 11.547 10.885 0.630 1.00 0.00 C ATOM 512 NE2 HIS A 31 10.696 11.594 -0.113 1.00 0.00 N ATOM 0 H HIS A 31 7.858 7.741 0.081 1.00 0.00 H new ATOM 0 HA HIS A 31 9.829 7.871 2.229 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.479 9.589 1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.285 9.857 2.881 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.285 9.365 2.067 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.480 11.533 -0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.622 10.987 0.606 1.00 0.00 H new ATOM 520 N THR A 32 6.888 6.538 2.623 1.00 0.00 N ATOM 521 CA THR A 32 6.151 5.693 3.586 1.00 0.00 C ATOM 522 C THR A 32 7.067 4.586 4.131 1.00 0.00 C ATOM 523 O THR A 32 7.001 4.238 5.308 1.00 0.00 O ATOM 524 CB THR A 32 4.913 5.035 2.932 1.00 0.00 C ATOM 525 OG1 THR A 32 5.218 4.055 1.963 1.00 0.00 O ATOM 526 CG2 THR A 32 3.930 6.023 2.304 1.00 0.00 C ATOM 0 H THR A 32 6.535 6.509 1.666 1.00 0.00 H new ATOM 0 HA THR A 32 5.819 6.340 4.398 1.00 0.00 H new ATOM 0 HB THR A 32 4.439 4.556 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.648 4.480 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.093 5.477 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.560 6.705 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.435 6.593 1.525 1.00 0.00 H new ATOM 592 N TYR A 37 7.223 -0.986 10.217 1.00 0.00 N ATOM 593 CA TYR A 37 6.837 -1.578 11.523 1.00 0.00 C ATOM 594 C TYR A 37 7.362 -3.021 11.654 1.00 0.00 C ATOM 595 O TYR A 37 7.756 -3.640 10.669 1.00 0.00 O ATOM 596 CB TYR A 37 5.297 -1.572 11.672 1.00 0.00 C ATOM 597 CG TYR A 37 4.711 -0.220 11.347 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.851 0.817 12.289 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.295 0.055 10.031 1.00 0.00 C ATOM 600 CE1 TYR A 37 4.735 2.151 11.873 1.00 0.00 C ATOM 601 CE2 TYR A 37 4.166 1.390 9.613 1.00 0.00 C ATOM 602 CZ TYR A 37 4.475 2.428 10.518 1.00 0.00 C ATOM 603 OH TYR A 37 4.730 3.665 10.046 1.00 0.00 O ATOM 0 HA TYR A 37 7.284 -0.974 12.313 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.864 -2.324 11.012 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.029 -1.850 12.691 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.047 0.586 13.326 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.077 -0.753 9.348 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.844 2.956 12.584 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.834 1.619 8.611 1.00 0.00 H new ATOM 0 HH TYR A 37 4.502 3.705 9.094 1.00 0.00 H new ATOM 613 N GLN A 38 7.280 -3.567 12.879 1.00 0.00 N ATOM 614 CA GLN A 38 7.593 -4.985 13.139 1.00 0.00 C ATOM 615 C GLN A 38 6.490 -5.611 13.989 1.00 0.00 C ATOM 616 O GLN A 38 5.770 -4.905 14.699 1.00 0.00 O ATOM 617 CB GLN A 38 8.943 -5.102 13.876 1.00 0.00 C ATOM 618 CG GLN A 38 10.168 -4.793 12.990 1.00 0.00 C ATOM 619 CD GLN A 38 11.182 -5.936 12.913 1.00 0.00 C ATOM 620 OE1 GLN A 38 12.369 -5.754 13.133 1.00 0.00 O ATOM 621 NE2 GLN A 38 10.760 -7.140 12.575 1.00 0.00 N ATOM 0 H GLN A 38 6.998 -3.046 13.709 1.00 0.00 H new ATOM 0 HA GLN A 38 7.659 -5.512 12.187 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.941 -4.421 14.727 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.041 -6.111 14.276 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.825 -4.556 11.983 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.667 -3.903 13.374 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.770 -7.300 12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.424 -7.911 12.499 1.00 0.00 H new ATOM 630 N CYS A 39 6.376 -6.938 13.928 1.00 0.00 N ATOM 631 CA CYS A 39 5.416 -7.662 14.762 1.00 0.00 C ATOM 632 C CYS A 39 5.746 -7.471 16.255 1.00 0.00 C ATOM 633 O CYS A 39 6.901 -7.602 16.669 1.00 0.00 O ATOM 634 CB CYS A 39 5.417 -9.144 14.420 1.00 0.00 C ATOM 635 SG CYS A 39 3.968 -9.792 15.314 1.00 0.00 S ATOM 0 H CYS A 39 6.933 -7.531 13.313 1.00 0.00 H new ATOM 0 HA CYS A 39 4.424 -7.257 14.564 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.331 -9.307 13.346 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.338 -9.629 14.744 1.00 0.00 H new ATOM 0 HG CYS A 39 4.256 -10.952 15.825 1.00 0.00 H new ATOM 731 N ARG A 46 8.693 -10.479 12.233 1.00 0.00 N ATOM 732 CA ARG A 46 8.254 -10.035 10.910 1.00 0.00 C ATOM 733 C ARG A 46 8.190 -8.519 10.854 1.00 0.00 C ATOM 734 O ARG A 46 8.193 -7.847 11.889 1.00 0.00 O ATOM 735 CB ARG A 46 6.866 -10.633 10.588 1.00 0.00 C ATOM 736 CG ARG A 46 6.908 -11.871 9.672 1.00 0.00 C ATOM 737 CD ARG A 46 7.867 -12.991 10.099 1.00 0.00 C ATOM 738 NE ARG A 46 7.531 -13.540 11.418 1.00 0.00 N ATOM 739 CZ ARG A 46 8.041 -14.611 12.011 1.00 0.00 C ATOM 740 NH1 ARG A 46 9.030 -15.307 11.497 1.00 0.00 N ATOM 741 NH2 ARG A 46 7.567 -14.984 13.173 1.00 0.00 N ATOM 0 HA ARG A 46 8.974 -10.381 10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.374 -10.903 11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.253 -9.866 10.115 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.902 -12.286 9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.183 -11.547 8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.841 -13.790 9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.887 -12.606 10.117 1.00 0.00 H new ATOM 0 HE ARG A 46 6.817 -13.036 11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.439 -15.030 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.389 -16.124 11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.815 -14.453 13.611 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.950 -15.806 13.640 1.00 0.00 H new ATOM 755 N ARG A 47 8.153 -7.979 9.637 1.00 0.00 N ATOM 756 CA ARG A 47 8.127 -6.535 9.429 1.00 0.00 C ATOM 757 C ARG A 47 7.197 -6.178 8.282 1.00 0.00 C ATOM 758 O ARG A 47 7.042 -6.946 7.334 1.00 0.00 O ATOM 759 CB ARG A 47 9.554 -6.011 9.135 1.00 0.00 C ATOM 760 CG ARG A 47 10.439 -6.871 8.210 1.00 0.00 C ATOM 761 CD ARG A 47 11.284 -7.881 9.005 1.00 0.00 C ATOM 762 NE ARG A 47 12.039 -8.781 8.120 1.00 0.00 N ATOM 763 CZ ARG A 47 12.640 -9.908 8.490 1.00 0.00 C ATOM 764 NH1 ARG A 47 12.575 -10.377 9.715 1.00 0.00 N ATOM 765 NH2 ARG A 47 13.330 -10.604 7.617 1.00 0.00 N ATOM 0 H ARG A 47 8.140 -8.525 8.776 1.00 0.00 H new ATOM 0 HA ARG A 47 7.756 -6.063 10.339 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.466 -5.019 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.074 -5.891 10.086 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.810 -7.405 7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.097 -6.223 7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.977 -7.344 9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.633 -8.470 9.652 1.00 0.00 H new ATOM 0 HE ARG A 47 12.108 -8.518 7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.047 -9.872 10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.052 -11.246 9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.406 -10.281 6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.790 -11.468 7.903 1.00 0.00 H new ATOM 779 N PHE A 48 6.574 -5.004 8.381 1.00 0.00 N ATOM 780 CA PHE A 48 5.593 -4.554 7.397 1.00 0.00 C ATOM 781 C PHE A 48 5.781 -3.074 7.099 1.00 0.00 C ATOM 782 O PHE A 48 5.995 -2.277 8.003 1.00 0.00 O ATOM 783 CB PHE A 48 4.174 -4.792 7.939 1.00 0.00 C ATOM 784 CG PHE A 48 3.949 -6.232 8.355 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.584 -7.184 7.387 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.246 -6.645 9.671 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.563 -8.545 7.722 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.234 -8.010 10.003 1.00 0.00 C ATOM 789 CZ PHE A 48 3.930 -8.960 9.012 1.00 0.00 C ATOM 0 H PHE A 48 6.734 -4.343 9.141 1.00 0.00 H new ATOM 0 HA PHE A 48 5.735 -5.120 6.476 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.000 -4.138 8.794 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.446 -4.519 7.175 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.321 -6.868 6.388 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.483 -5.910 10.425 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.264 -9.276 6.986 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.456 -8.327 11.011 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.979 -10.014 9.244 1.00 0.00 H new ATOM 799 N SER A 49 5.660 -2.703 5.826 1.00 0.00 N ATOM 800 CA SER A 49 5.860 -1.309 5.407 1.00 0.00 C ATOM 801 C SER A 49 4.594 -0.467 5.646 1.00 0.00 C ATOM 802 O SER A 49 4.604 0.744 5.445 1.00 0.00 O ATOM 803 CB SER A 49 6.233 -1.256 3.921 1.00 0.00 C ATOM 804 OG SER A 49 7.323 -2.118 3.657 1.00 0.00 O ATOM 0 H SER A 49 5.426 -3.342 5.066 1.00 0.00 H new ATOM 0 HA SER A 49 6.670 -0.893 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.376 -1.546 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.492 -0.235 3.640 1.00 0.00 H new ATOM 0 HG SER A 49 7.550 -2.076 2.705 1.00 0.00 H new ATOM 810 N ARG A 50 3.511 -1.121 6.098 1.00 0.00 N ATOM 811 CA ARG A 50 2.260 -0.430 6.419 1.00 0.00 C ATOM 812 C ARG A 50 1.706 -0.916 7.758 1.00 0.00 C ATOM 813 O ARG A 50 1.667 -2.124 8.030 1.00 0.00 O ATOM 814 CB ARG A 50 1.219 -0.673 5.311 1.00 0.00 C ATOM 815 CG ARG A 50 1.603 -0.184 3.903 1.00 0.00 C ATOM 816 CD ARG A 50 0.391 -0.150 2.951 1.00 0.00 C ATOM 817 NE ARG A 50 -0.080 -1.491 2.538 1.00 0.00 N ATOM 818 CZ ARG A 50 0.114 -2.080 1.356 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.916 -1.565 0.459 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.448 -3.226 1.087 1.00 0.00 N ATOM 0 H ARG A 50 3.481 -2.129 6.248 1.00 0.00 H new ATOM 0 HA ARG A 50 2.468 0.638 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.016 -1.743 5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.288 -0.186 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.037 0.813 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.370 -0.838 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.428 0.379 3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.655 0.422 2.062 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.609 -2.021 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.410 -0.694 0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.048 -2.034 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.041 -3.679 1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.294 -3.669 0.181 1.00 0.00 H new ATOM 834 N SER A 51 1.247 0.030 8.579 1.00 0.00 N ATOM 835 CA SER A 51 0.669 -0.288 9.882 1.00 0.00 C ATOM 836 C SER A 51 -0.503 -1.270 9.729 1.00 0.00 C ATOM 837 O SER A 51 -0.640 -2.203 10.509 1.00 0.00 O ATOM 838 CB SER A 51 0.189 0.994 10.564 1.00 0.00 C ATOM 839 OG SER A 51 1.181 1.998 10.517 1.00 0.00 O ATOM 0 H SER A 51 1.265 1.026 8.362 1.00 0.00 H new ATOM 0 HA SER A 51 1.436 -0.758 10.497 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.718 1.351 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.070 0.783 11.602 1.00 0.00 H new ATOM 0 HG SER A 51 2.046 1.593 10.295 1.00 0.00 H new ATOM 845 N ASP A 52 -1.345 -1.050 8.703 1.00 0.00 N ATOM 846 CA ASP A 52 -2.493 -1.936 8.440 1.00 0.00 C ATOM 847 C ASP A 52 -2.036 -3.381 8.173 1.00 0.00 C ATOM 848 O ASP A 52 -2.706 -4.325 8.570 1.00 0.00 O ATOM 849 CB ASP A 52 -3.292 -1.423 7.236 1.00 0.00 C ATOM 850 CG ASP A 52 -2.699 -1.788 5.866 1.00 0.00 C ATOM 851 OD1 ASP A 52 -2.972 -2.902 5.362 1.00 0.00 O ATOM 852 OD2 ASP A 52 -1.932 -0.960 5.333 1.00 0.00 O ATOM 0 H ASP A 52 -1.253 -0.274 8.048 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.125 -1.932 9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.306 -1.820 7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.370 -0.338 7.305 1.00 0.00 H new ATOM 857 N GLN A 53 -0.891 -3.540 7.492 1.00 0.00 N ATOM 858 CA GLN A 53 -0.366 -4.868 7.173 1.00 0.00 C ATOM 859 C GLN A 53 0.193 -5.539 8.427 1.00 0.00 C ATOM 860 O GLN A 53 0.010 -6.737 8.623 1.00 0.00 O ATOM 861 CB GLN A 53 0.727 -4.763 6.098 1.00 0.00 C ATOM 862 CG GLN A 53 0.140 -4.439 4.715 1.00 0.00 C ATOM 863 CD GLN A 53 -0.829 -5.507 4.211 1.00 0.00 C ATOM 864 OE1 GLN A 53 -0.453 -6.625 3.888 1.00 0.00 O ATOM 865 NE2 GLN A 53 -2.116 -5.220 4.149 1.00 0.00 N ATOM 0 H GLN A 53 -0.317 -2.767 7.155 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.183 -5.478 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.441 -3.989 6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.278 -5.702 6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.377 -3.481 4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.954 -4.328 3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.445 -4.292 4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.781 -5.926 3.835 1.00 0.00 H new ATOM 874 N LEU A 54 0.774 -4.737 9.330 1.00 0.00 N ATOM 875 CA LEU A 54 1.151 -5.226 10.661 1.00 0.00 C ATOM 876 C LEU A 54 -0.111 -5.643 11.465 1.00 0.00 C ATOM 877 O LEU A 54 -0.165 -6.737 12.011 1.00 0.00 O ATOM 878 CB LEU A 54 1.930 -4.130 11.421 1.00 0.00 C ATOM 879 CG LEU A 54 2.102 -4.347 12.936 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.792 -5.669 13.267 1.00 0.00 C ATOM 881 CD2 LEU A 54 2.970 -3.238 13.526 1.00 0.00 C ATOM 0 H LEU A 54 0.991 -3.754 9.164 1.00 0.00 H new ATOM 0 HA LEU A 54 1.790 -6.102 10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.920 -4.039 10.973 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.422 -3.178 11.266 1.00 0.00 H new ATOM 0 HG LEU A 54 1.097 -4.349 13.357 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.887 -5.769 14.348 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.200 -6.496 12.876 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.783 -5.686 12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.087 -3.399 14.598 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.950 -3.250 13.048 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.494 -2.273 13.354 1.00 0.00 H new ATOM 893 N LYS A 55 -1.132 -4.765 11.498 1.00 0.00 N ATOM 894 CA LYS A 55 -2.417 -5.079 12.170 1.00 0.00 C ATOM 895 C LYS A 55 -3.042 -6.361 11.586 1.00 0.00 C ATOM 896 O LYS A 55 -3.500 -7.230 12.327 1.00 0.00 O ATOM 897 CB LYS A 55 -3.399 -3.905 12.004 1.00 0.00 C ATOM 898 CG LYS A 55 -3.086 -2.690 12.893 1.00 0.00 C ATOM 899 CD LYS A 55 -4.123 -1.581 12.654 1.00 0.00 C ATOM 900 CE LYS A 55 -3.919 -0.415 13.625 1.00 0.00 C ATOM 901 NZ LYS A 55 -5.003 0.582 13.505 1.00 0.00 N ATOM 0 H LYS A 55 -1.097 -3.839 11.072 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.217 -5.240 13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.396 -3.588 10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.407 -4.255 12.228 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.093 -2.986 13.942 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.086 -2.317 12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.045 -1.221 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.128 -1.987 12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.881 -0.793 14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.960 0.063 13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.836 1.359 14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.022 0.959 12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.915 0.130 13.719 1.00 0.00 H new ATOM 915 N ARG A 56 -3.026 -6.471 10.250 1.00 0.00 N ATOM 916 CA ARG A 56 -3.492 -7.678 9.548 1.00 0.00 C ATOM 917 C ARG A 56 -2.683 -8.903 9.991 1.00 0.00 C ATOM 918 O ARG A 56 -3.249 -9.919 10.382 1.00 0.00 O ATOM 919 CB ARG A 56 -3.348 -7.471 8.026 1.00 0.00 C ATOM 920 CG ARG A 56 -3.749 -8.594 7.057 1.00 0.00 C ATOM 921 CD ARG A 56 -3.359 -8.103 5.652 1.00 0.00 C ATOM 922 NE ARG A 56 -3.785 -8.999 4.562 1.00 0.00 N ATOM 923 CZ ARG A 56 -3.062 -9.372 3.506 1.00 0.00 C ATOM 924 NH1 ARG A 56 -1.782 -9.095 3.365 1.00 0.00 N ATOM 925 NH2 ARG A 56 -3.634 -10.030 2.529 1.00 0.00 N ATOM 0 H ARG A 56 -2.693 -5.733 9.629 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.539 -7.851 9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.933 -6.590 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.303 -7.230 7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.234 -9.523 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.818 -8.797 7.116 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.795 -7.117 5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.276 -7.984 5.608 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.732 -9.373 4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.292 -8.568 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.281 -9.408 2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.628 -10.255 2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.086 -10.318 1.718 1.00 0.00 H new ATOM 939 N HIS A 57 -1.357 -8.756 10.017 1.00 0.00 N ATOM 940 CA HIS A 57 -0.461 -9.836 10.426 1.00 0.00 C ATOM 941 C HIS A 57 -0.747 -10.266 11.878 1.00 0.00 C ATOM 942 O HIS A 57 -0.856 -11.455 12.169 1.00 0.00 O ATOM 943 CB HIS A 57 0.994 -9.363 10.304 1.00 0.00 C ATOM 944 CG HIS A 57 1.946 -10.335 10.937 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.132 -11.634 10.535 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.661 -10.145 12.086 1.00 0.00 C ATOM 947 CE1 HIS A 57 2.935 -12.233 11.426 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.267 -11.364 12.382 1.00 0.00 N ATOM 0 H HIS A 57 -0.879 -7.893 9.758 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.628 -10.694 9.775 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.249 -9.236 9.252 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.101 -8.387 10.778 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.741 -9.229 12.653 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.263 -13.261 11.377 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.861 -11.558 13.188 1.00 0.00 H new ATOM 956 N GLN A 58 -0.949 -9.281 12.757 1.00 0.00 N ATOM 957 CA GLN A 58 -1.277 -9.529 14.164 1.00 0.00 C ATOM 958 C GLN A 58 -2.499 -10.469 14.306 1.00 0.00 C ATOM 959 O GLN A 58 -2.587 -11.232 15.272 1.00 0.00 O ATOM 960 CB GLN A 58 -1.538 -8.200 14.892 1.00 0.00 C ATOM 961 CG GLN A 58 -0.224 -7.702 15.532 1.00 0.00 C ATOM 962 CD GLN A 58 0.198 -8.560 16.730 1.00 0.00 C ATOM 963 OE1 GLN A 58 -0.558 -8.734 17.674 1.00 0.00 O ATOM 964 NE2 GLN A 58 1.367 -9.174 16.743 1.00 0.00 N ATOM 0 H GLN A 58 -0.890 -8.292 12.515 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.422 -10.025 14.623 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.919 -7.457 14.191 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.301 -8.336 15.659 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.569 -7.711 14.784 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.348 -6.668 15.853 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.018 -9.047 15.968 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.619 -9.775 17.528 1.00 0.00 H new ATOM 973 N ARG A 59 -3.452 -10.401 13.348 1.00 0.00 N ATOM 974 CA ARG A 59 -4.668 -11.246 13.406 1.00 0.00 C ATOM 975 C ARG A 59 -4.288 -12.740 13.523 1.00 0.00 C ATOM 976 O ARG A 59 -4.958 -13.500 14.217 1.00 0.00 O ATOM 977 CB ARG A 59 -5.527 -11.040 12.142 1.00 0.00 C ATOM 978 CG ARG A 59 -6.036 -9.623 11.824 1.00 0.00 C ATOM 979 CD ARG A 59 -7.052 -9.117 12.847 1.00 0.00 C ATOM 980 NE ARG A 59 -7.742 -7.894 12.398 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.355 -6.636 12.581 1.00 0.00 C ATOM 982 NH1 ARG A 59 -6.173 -6.310 13.053 1.00 0.00 N ATOM 983 NH2 ARG A 59 -8.174 -5.651 12.285 1.00 0.00 N ATOM 0 H ARG A 59 -3.405 -9.782 12.539 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.240 -10.951 14.286 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.946 -11.383 11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.395 -11.694 12.221 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.190 -8.937 11.789 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.491 -9.619 10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.789 -9.897 13.039 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.545 -8.919 13.791 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.616 -8.029 11.889 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.503 -7.039 13.298 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.925 -5.328 13.174 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.103 -5.854 11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.880 -4.684 12.424 1.00 0.00 H new ATOM 997 N ARG A 60 -3.159 -13.126 12.896 1.00 0.00 N ATOM 998 CA ARG A 60 -2.626 -14.503 13.004 1.00 0.00 C ATOM 999 C ARG A 60 -2.294 -14.858 14.465 1.00 0.00 C ATOM 1000 O ARG A 60 -2.551 -15.974 14.909 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.352 -14.635 12.144 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.616 -15.973 12.306 1.00 0.00 C ATOM 1003 CD ARG A 60 0.661 -15.978 11.458 1.00 0.00 C ATOM 1004 NE ARG A 60 1.296 -17.305 11.458 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.226 -17.746 10.619 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.653 -17.053 9.585 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.760 -18.930 10.810 1.00 0.00 N ATOM 0 H ARG A 60 -2.598 -12.507 12.310 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.391 -15.192 12.646 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.621 -14.506 11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.669 -13.825 12.400 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.366 -16.135 13.355 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.266 -16.794 12.003 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.422 -15.686 10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.361 -15.237 11.846 1.00 0.00 H new ATOM 0 HE ARG A 60 0.989 -17.956 12.180 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.267 -16.128 9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.370 -17.441 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.460 -19.504 11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.475 -19.276 10.170 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.683 -13.912 15.187 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.193 -14.164 16.555 1.00 0.00 C ATOM 1023 C HIS A 61 -2.300 -13.929 17.603 1.00 0.00 C ATOM 1024 O HIS A 61 -2.098 -14.176 18.790 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.005 -13.239 16.854 1.00 0.00 C ATOM 1026 CG HIS A 61 1.252 -13.566 16.089 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.884 -14.792 16.052 1.00 0.00 N ATOM 1028 CD2 HIS A 61 2.054 -12.666 15.440 1.00 0.00 C ATOM 1029 CE1 HIS A 61 3.052 -14.624 15.407 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.198 -13.348 15.028 1.00 0.00 N ATOM 0 H HIS A 61 -1.514 -12.964 14.851 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.882 -15.207 16.615 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.295 -12.213 16.629 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.213 -13.282 17.921 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.530 -15.665 16.442 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.840 -11.620 15.277 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.771 -15.408 15.221 1.00 0.00 H new ATOM 1038 N THR A 62 -3.446 -13.403 17.155 1.00 0.00 N ATOM 1039 CA THR A 62 -4.515 -12.962 18.070 1.00 0.00 C ATOM 1040 C THR A 62 -5.843 -13.691 17.783 1.00 0.00 C ATOM 1041 O THR A 62 -6.818 -13.513 18.507 1.00 0.00 O ATOM 1042 CB THR A 62 -4.747 -11.448 17.934 1.00 0.00 C ATOM 1043 OG1 THR A 62 -4.962 -11.124 16.587 1.00 0.00 O ATOM 1044 CG2 THR A 62 -3.544 -10.612 18.362 1.00 0.00 C ATOM 0 H THR A 62 -3.660 -13.271 16.167 1.00 0.00 H new ATOM 0 HA THR A 62 -4.190 -13.203 19.082 1.00 0.00 H new ATOM 0 HB THR A 62 -5.599 -11.225 18.576 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.135 -11.266 16.080 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.775 -9.554 18.241 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.313 -10.816 19.408 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.684 -10.869 17.744 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.856 -14.544 16.741 1.00 0.00 N ATOM 1053 CA GLY A 63 -7.055 -15.342 16.411 1.00 0.00 C ATOM 1054 C GLY A 63 -8.258 -14.474 15.963 1.00 0.00 C ATOM 1055 O GLY A 63 -9.360 -14.987 15.776 1.00 0.00 O ATOM 0 H GLY A 63 -5.062 -14.698 16.120 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.808 -16.047 15.617 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.344 -15.931 17.282 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.037 -13.158 15.821 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.122 -12.212 15.521 1.00 0.00 C ATOM 1061 C VAL A 64 -9.639 -12.411 14.086 1.00 0.00 C ATOM 1062 O VAL A 64 -8.900 -12.227 13.114 1.00 0.00 O ATOM 1063 CB VAL A 64 -8.625 -10.761 15.708 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -9.649 -9.699 15.278 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.340 -10.487 17.192 1.00 0.00 C ATOM 0 H VAL A 64 -7.117 -12.725 15.909 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.944 -12.401 16.212 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.736 -10.684 15.082 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.231 -8.705 15.438 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.885 -9.828 14.222 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.558 -9.810 15.869 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.990 -9.462 17.312 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.253 -10.629 17.770 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.574 -11.176 17.549 1.00 0.00 H new ATOM 1075 N LYS A 65 -10.926 -12.773 13.970 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.590 -12.947 12.664 1.00 0.00 C ATOM 1077 C LYS A 65 -12.820 -12.023 12.568 1.00 0.00 C ATOM 1078 O LYS A 65 -13.918 -12.404 12.970 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.025 -14.418 12.489 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.857 -15.410 12.416 1.00 0.00 C ATOM 1081 CD LYS A 65 -11.321 -16.857 12.638 1.00 0.00 C ATOM 1082 CE LYS A 65 -10.122 -17.807 12.722 1.00 0.00 C ATOM 1083 NZ LYS A 65 -9.362 -17.616 13.976 1.00 0.00 N ATOM 0 H LYS A 65 -11.533 -12.953 14.770 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.888 -12.685 11.873 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.673 -14.696 13.320 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.619 -14.505 11.579 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.372 -15.329 11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.111 -15.149 13.167 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.905 -16.919 13.556 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.976 -17.163 11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.469 -18.838 12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.465 -17.640 11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.358 -17.460 13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.736 -16.791 14.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.456 -18.463 14.572 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.621 -10.761 12.118 1.00 0.00 N ATOM 1098 CA PRO A 66 -13.668 -9.752 12.128 1.00 0.00 C ATOM 1099 C PRO A 66 -14.574 -9.816 10.886 1.00 0.00 C ATOM 1100 O PRO A 66 -15.640 -9.207 10.865 1.00 0.00 O ATOM 1101 CB PRO A 66 -12.894 -8.430 12.166 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.605 -8.726 11.401 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.360 -10.218 11.637 1.00 0.00 C ATOM 0 HA PRO A 66 -14.347 -9.888 12.970 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.459 -7.624 11.697 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.687 -8.120 13.190 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.712 -8.503 10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.776 -8.123 11.771 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.048 -10.712 10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.565 -10.372 12.367 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.159 -10.587 9.864 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.987 -10.783 8.668 1.00 0.00 C ATOM 1113 C PHE A 67 -15.821 -12.065 8.813 1.00 0.00 C ATOM 1114 O PHE A 67 -15.292 -13.106 9.143 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.090 -10.868 7.419 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.165 -9.672 7.267 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.658 -8.463 6.737 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.829 -9.745 7.700 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.822 -7.335 6.657 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -10.987 -8.623 7.603 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.485 -7.416 7.083 1.00 0.00 C ATOM 0 H PHE A 67 -13.265 -11.078 9.845 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.664 -9.936 8.558 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.492 -11.778 7.470 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.719 -10.949 6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.680 -8.403 6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.447 -10.669 8.110 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.208 -6.405 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.959 -8.689 7.928 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.841 -6.552 7.011 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.141 -11.959 8.628 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.040 -13.124 8.762 1.00 0.00 C ATOM 1133 C GLN A 68 -18.862 -13.332 7.484 1.00 0.00 C ATOM 1134 O GLN A 68 -19.350 -12.369 6.887 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.983 -12.920 9.964 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.833 -14.163 10.293 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.689 -13.964 11.541 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.195 -13.648 12.612 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -21.991 -14.170 11.487 1.00 0.00 N ATOM 0 H GLN A 68 -17.614 -11.088 8.387 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.430 -14.012 8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.391 -12.652 10.839 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.646 -12.080 9.758 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.478 -14.394 9.445 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.177 -15.021 10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.429 -14.435 10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.559 -14.064 12.327 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.061 -14.604 7.104 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.924 -14.946 5.965 1.00 0.00 C ATOM 1150 C CYS A 69 -21.380 -14.546 6.259 1.00 0.00 C ATOM 1151 O CYS A 69 -21.839 -14.608 7.401 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.852 -16.452 5.668 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.901 -16.817 4.218 1.00 0.00 S ATOM 0 H CYS A 69 -18.638 -15.408 7.567 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.571 -14.396 5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.822 -16.749 5.473 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.190 -17.024 6.532 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.156 -16.919 3.158 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.108 -14.177 5.204 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.529 -13.822 5.326 1.00 0.00 C ATOM 1160 C LYS A 70 -24.415 -15.080 5.235 1.00 0.00 C ATOM 1161 O LYS A 70 -25.636 -14.994 5.340 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.920 -12.835 4.206 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.222 -11.458 4.216 1.00 0.00 C ATOM 1164 CD LYS A 70 -21.715 -11.420 3.896 1.00 0.00 C ATOM 1165 CE LYS A 70 -21.350 -12.152 2.596 1.00 0.00 C ATOM 1166 NZ LYS A 70 -19.888 -12.179 2.399 1.00 0.00 N ATOM 0 H LYS A 70 -21.740 -14.115 4.255 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.684 -13.354 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -23.717 -13.312 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -24.996 -12.671 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.734 -10.817 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -23.368 -11.015 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.393 -10.381 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.164 -11.867 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.736 -13.171 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.826 -11.657 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.657 -12.805 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.547 -11.218 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.428 -12.533 3.262 1.00 0.00 H new ATOM 1180 N THR A 71 -23.780 -16.237 4.999 1.00 0.00 N ATOM 1181 CA THR A 71 -24.498 -17.476 4.672 1.00 0.00 C ATOM 1182 C THR A 71 -24.231 -18.558 5.733 1.00 0.00 C ATOM 1183 O THR A 71 -25.062 -18.783 6.615 1.00 0.00 O ATOM 1184 CB THR A 71 -24.064 -18.008 3.273 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.272 -17.057 2.584 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.250 -18.314 2.368 1.00 0.00 C ATOM 0 H THR A 71 -22.766 -16.340 5.029 1.00 0.00 H new ATOM 0 HA THR A 71 -25.564 -17.248 4.656 1.00 0.00 H new ATOM 0 HB THR A 71 -23.504 -18.920 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.387 -17.004 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.889 -18.681 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.877 -19.074 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.834 -17.406 2.214 1.00 0.00 H new ATOM 1194 N CYS A 72 -23.044 -19.186 5.671 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.671 -20.252 6.609 1.00 0.00 C ATOM 1196 C CYS A 72 -22.083 -19.670 7.912 1.00 0.00 C ATOM 1197 O CYS A 72 -21.773 -20.412 8.848 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.644 -21.170 5.953 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.173 -20.206 5.555 1.00 0.00 S ATOM 0 H CYS A 72 -22.327 -18.971 4.978 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.569 -20.815 6.861 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.388 -21.990 6.624 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.059 -21.616 5.049 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.526 -19.020 5.156 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.958 -18.333 7.967 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.397 -17.635 9.132 1.00 0.00 C ATOM 1206 C GLN A 73 -19.958 -18.125 9.434 1.00 0.00 C ATOM 1207 O GLN A 73 -19.504 -18.069 10.582 1.00 0.00 O ATOM 1208 CB GLN A 73 -22.304 -17.849 10.371 1.00 0.00 C ATOM 1209 CG GLN A 73 -23.815 -17.702 10.113 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.189 -16.411 9.387 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -23.877 -15.314 9.833 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -24.861 -16.500 8.254 1.00 0.00 N ATOM 0 H GLN A 73 -22.241 -17.711 7.210 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.353 -16.571 8.902 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.116 -18.845 10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.013 -17.136 11.142 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.159 -18.553 9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.343 -17.739 11.066 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.119 -17.415 7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.122 -15.654 7.748 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.207 -18.480 8.370 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.776 -18.762 8.506 1.00 0.00 C ATOM 1223 C ARG A 74 -17.011 -17.471 8.741 1.00 0.00 C ATOM 1224 O ARG A 74 -17.211 -16.483 8.033 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.245 -19.443 7.230 1.00 0.00 C ATOM 1226 CG ARG A 74 -17.347 -20.977 7.229 1.00 0.00 C ATOM 1227 CD ARG A 74 -16.398 -21.678 8.215 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.981 -21.298 8.020 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.926 -22.099 7.911 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -14.023 -23.411 7.883 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.722 -21.583 7.829 1.00 0.00 N ATOM 0 H ARG A 74 -19.569 -18.575 7.421 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.633 -19.429 9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.795 -19.056 6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.201 -19.162 7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.372 -21.261 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.140 -21.342 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.697 -21.435 9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.498 -22.758 8.103 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.790 -20.298 7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.939 -23.856 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.183 -23.983 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.599 -20.571 7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.910 -22.194 7.745 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.150 -17.470 9.757 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.390 -16.278 10.119 1.00 0.00 C ATOM 1247 C LYS A 75 -13.971 -16.341 9.545 1.00 0.00 C ATOM 1248 O LYS A 75 -13.326 -17.390 9.562 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.332 -16.137 11.649 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.735 -15.833 12.196 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.754 -15.745 13.726 1.00 0.00 C ATOM 1252 CE LYS A 75 -18.155 -15.386 14.236 1.00 0.00 C ATOM 1253 NZ LYS A 75 -19.155 -16.427 13.910 1.00 0.00 N ATOM 0 H LYS A 75 -15.962 -18.283 10.344 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.893 -15.408 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.949 -17.055 12.094 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.643 -15.338 11.924 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.091 -14.893 11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.426 -16.610 11.870 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.440 -16.698 14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.038 -14.994 14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.121 -15.244 15.316 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.466 -14.437 13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.042 -16.227 14.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.333 -16.429 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.794 -17.358 14.200 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.492 -15.196 9.063 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.162 -15.073 8.483 1.00 0.00 C ATOM 1269 C PHE A 76 -11.473 -13.783 8.981 1.00 0.00 C ATOM 1270 O PHE A 76 -12.139 -12.824 9.405 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.266 -15.042 6.942 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.015 -16.197 6.292 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.357 -17.418 6.039 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.371 -16.053 5.926 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.048 -18.482 5.431 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.066 -17.120 5.322 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.401 -18.335 5.076 1.00 0.00 C ATOM 0 H PHE A 76 -14.021 -14.324 9.065 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.566 -15.932 8.792 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.753 -14.112 6.651 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.257 -15.015 6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.319 -17.537 6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.879 -15.118 6.110 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.538 -19.414 5.236 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.105 -17.005 5.049 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.930 -19.156 4.614 1.00 0.00 H new ATOM 1287 N SER A 77 -10.134 -13.767 8.915 1.00 0.00 N ATOM 1288 CA SER A 77 -9.341 -12.617 9.378 1.00 0.00 C ATOM 1289 C SER A 77 -8.961 -11.689 8.212 1.00 0.00 C ATOM 1290 O SER A 77 -8.326 -10.656 8.420 1.00 0.00 O ATOM 1291 CB SER A 77 -8.060 -13.106 10.067 1.00 0.00 C ATOM 1292 OG SER A 77 -8.333 -13.838 11.238 1.00 0.00 O ATOM 0 H SER A 77 -9.577 -14.537 8.546 1.00 0.00 H new ATOM 0 HA SER A 77 -9.955 -12.056 10.083 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.492 -13.728 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.432 -12.250 10.314 1.00 0.00 H new ATOM 0 HG SER A 77 -8.331 -13.234 12.009 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.333 -12.079 6.980 1.00 0.00 N ATOM 1299 CA ARG A 78 -8.959 -11.325 5.775 1.00 0.00 C ATOM 1300 C ARG A 78 -10.170 -11.122 4.862 1.00 0.00 C ATOM 1301 O ARG A 78 -10.883 -12.077 4.532 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.853 -12.071 5.017 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.493 -11.966 5.734 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.542 -13.107 5.372 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.288 -13.190 3.926 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.118 -13.143 3.305 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -3.021 -12.775 3.922 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.051 -13.495 2.045 1.00 0.00 N ATOM 0 H ARG A 78 -9.892 -12.912 6.795 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.592 -10.346 6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.129 -13.120 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.765 -11.663 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.026 -11.015 5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.655 -11.963 6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.597 -12.968 5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.963 -14.051 5.719 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.109 -13.296 3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.053 -12.515 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.136 -12.749 3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.892 -13.800 1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.158 -13.464 1.554 1.00 0.00 H new ATOM 1322 N SER A 79 -10.379 -9.871 4.438 1.00 0.00 N ATOM 1323 CA SER A 79 -11.505 -9.513 3.567 1.00 0.00 C ATOM 1324 C SER A 79 -11.400 -10.213 2.208 1.00 0.00 C ATOM 1325 O SER A 79 -12.410 -10.592 1.622 1.00 0.00 O ATOM 1326 CB SER A 79 -11.536 -7.993 3.356 1.00 0.00 C ATOM 1327 OG SER A 79 -10.263 -7.518 2.957 1.00 0.00 O ATOM 0 H SER A 79 -9.779 -9.084 4.686 1.00 0.00 H new ATOM 0 HA SER A 79 -12.424 -9.840 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.278 -7.741 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.842 -7.499 4.278 1.00 0.00 H new ATOM 0 HG SER A 79 -10.302 -6.548 2.826 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.165 -10.388 1.712 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.935 -11.023 0.413 1.00 0.00 C ATOM 1335 C ASP A 80 -10.373 -12.515 0.438 1.00 0.00 C ATOM 1336 O ASP A 80 -11.081 -12.974 -0.464 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.448 -10.900 0.034 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.402 -11.197 1.123 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.402 -12.329 1.651 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.610 -10.276 1.425 1.00 0.00 O ATOM 0 H ASP A 80 -9.314 -10.098 2.193 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.538 -10.513 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.259 -11.572 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.277 -9.886 -0.326 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.974 -13.248 1.492 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.420 -14.641 1.664 1.00 0.00 C ATOM 1347 C HIS A 81 -11.926 -14.717 1.863 1.00 0.00 C ATOM 1348 O HIS A 81 -12.565 -15.621 1.354 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.730 -15.270 2.867 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.265 -15.446 2.742 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.501 -15.841 3.791 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.472 -15.314 1.634 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.263 -15.975 3.326 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.178 -15.632 2.031 1.00 0.00 N ATOM 0 H HIS A 81 -9.354 -12.906 2.226 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.156 -15.185 0.757 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.931 -14.653 3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.181 -16.245 3.054 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.815 -16.003 4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.790 -15.020 0.644 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.427 -16.318 3.918 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.494 -13.764 2.617 1.00 0.00 N ATOM 1363 CA LEU A 82 -13.944 -13.723 2.819 1.00 0.00 C ATOM 1364 C LEU A 82 -14.666 -13.504 1.479 1.00 0.00 C ATOM 1365 O LEU A 82 -15.608 -14.221 1.155 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.318 -12.607 3.809 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.859 -12.563 3.974 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.327 -12.496 5.423 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.493 -11.396 3.205 1.00 0.00 C ATOM 0 H LEU A 82 -11.977 -13.022 3.090 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.260 -14.680 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.843 -12.786 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.952 -11.646 3.447 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.194 -13.512 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.416 -12.468 5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.972 -13.375 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.928 -11.597 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.573 -11.408 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.087 -10.454 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.270 -11.496 2.143 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.188 -12.531 0.690 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.729 -12.273 -0.659 1.00 0.00 C ATOM 1383 C LYS A 83 -14.520 -13.496 -1.573 1.00 0.00 C ATOM 1384 O LYS A 83 -15.353 -13.792 -2.423 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.036 -11.039 -1.266 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.645 -10.561 -2.593 1.00 0.00 C ATOM 1387 CD LYS A 83 -14.003 -9.231 -3.022 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.617 -8.662 -4.307 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.277 -9.478 -5.490 1.00 0.00 N ATOM 0 H LYS A 83 -13.427 -11.907 0.960 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.800 -12.085 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.078 -10.222 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.983 -11.270 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.490 -11.314 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.722 -10.435 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.114 -8.503 -2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.934 -9.380 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.701 -8.612 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.264 -7.642 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.711 -9.059 -6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.244 -9.505 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.636 -10.445 -5.359 1.00 0.00 H new ATOM 1403 N THR A 84 -13.405 -14.204 -1.374 1.00 0.00 N ATOM 1404 CA THR A 84 -13.099 -15.415 -2.150 1.00 0.00 C ATOM 1405 C THR A 84 -14.051 -16.555 -1.773 1.00 0.00 C ATOM 1406 O THR A 84 -14.759 -17.087 -2.627 1.00 0.00 O ATOM 1407 CB THR A 84 -11.650 -15.867 -1.883 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.785 -14.842 -2.333 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.197 -17.203 -2.472 1.00 0.00 C ATOM 0 H THR A 84 -12.696 -13.961 -0.682 1.00 0.00 H new ATOM 0 HA THR A 84 -13.223 -15.177 -3.206 1.00 0.00 H new ATOM 0 HB THR A 84 -11.610 -16.043 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.566 -14.247 -1.586 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.157 -17.386 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.821 -18.005 -2.078 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.289 -17.172 -3.558 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.193 -16.796 -0.467 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.137 -17.778 0.048 1.00 0.00 C ATOM 1419 C HIS A 85 -16.573 -17.407 -0.351 1.00 0.00 C ATOM 1420 O HIS A 85 -17.345 -18.263 -0.771 1.00 0.00 O ATOM 1421 CB HIS A 85 -15.018 -17.857 1.578 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.198 -18.528 2.213 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.538 -19.860 2.106 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.238 -17.865 2.801 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.791 -19.989 2.577 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.239 -18.803 3.013 1.00 0.00 N ATOM 0 H HIS A 85 -13.657 -16.316 0.256 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.901 -18.751 -0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.111 -18.401 1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.915 -16.850 1.983 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.274 -16.815 3.052 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.353 -20.911 2.601 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.153 -18.622 3.427 1.00 0.00 H new ATOM 1434 N THR A 86 -16.862 -16.103 -0.350 1.00 0.00 N ATOM 1435 CA THR A 86 -18.175 -15.576 -0.746 1.00 0.00 C ATOM 1436 C THR A 86 -18.572 -16.085 -2.138 1.00 0.00 C ATOM 1437 O THR A 86 -19.743 -16.411 -2.376 1.00 0.00 O ATOM 1438 CB THR A 86 -18.175 -14.033 -0.749 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.985 -13.569 0.568 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.456 -13.358 -1.218 1.00 0.00 C ATOM 0 H THR A 86 -16.195 -15.382 -0.075 1.00 0.00 H new ATOM 0 HA THR A 86 -18.901 -15.930 -0.014 1.00 0.00 H new ATOM 0 HB THR A 86 -17.383 -13.778 -1.453 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.214 -14.024 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.334 -12.276 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.671 -13.659 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.282 -13.655 -0.572 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.595 -16.158 -3.068 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.884 -16.588 -4.443 1.00 0.00 C ATOM 1450 C ARG A 87 -18.429 -18.032 -4.454 1.00 0.00 C ATOM 1451 O ARG A 87 -19.255 -18.372 -5.294 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.614 -16.499 -5.314 1.00 0.00 C ATOM 1453 CG ARG A 87 -16.258 -15.036 -5.635 1.00 0.00 C ATOM 1454 CD ARG A 87 -15.214 -14.873 -6.751 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.850 -15.257 -6.347 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.986 -14.546 -5.631 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -13.282 -13.389 -5.079 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.785 -15.028 -5.424 1.00 0.00 N ATOM 0 H ARG A 87 -16.617 -15.928 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.642 -15.923 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.781 -16.973 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.767 -17.050 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -17.167 -14.507 -5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.884 -14.558 -4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.513 -15.477 -7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.207 -13.834 -7.081 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.532 -16.177 -6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.216 -12.995 -5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.578 -12.886 -4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.526 -15.936 -5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.109 -14.495 -4.877 1.00 0.00 H new ATOM 1472 N THR A 88 -18.036 -18.839 -3.444 1.00 0.00 N ATOM 1473 CA THR A 88 -18.607 -20.200 -3.257 1.00 0.00 C ATOM 1474 C THR A 88 -20.141 -20.152 -3.174 1.00 0.00 C ATOM 1475 O THR A 88 -20.825 -20.969 -3.783 1.00 0.00 O ATOM 1476 CB THR A 88 -18.074 -20.849 -1.959 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.725 -20.534 -1.734 1.00 0.00 O ATOM 1478 CG2 THR A 88 -18.221 -22.363 -1.908 1.00 0.00 C ATOM 0 H THR A 88 -17.334 -18.580 -2.751 1.00 0.00 H new ATOM 0 HA THR A 88 -18.304 -20.792 -4.121 1.00 0.00 H new ATOM 0 HB THR A 88 -18.704 -20.425 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.665 -19.754 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.822 -22.736 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 88 -19.275 -22.629 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.671 -22.810 -2.736 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.669 -19.174 -2.423 1.00 0.00 N ATOM 1487 CA HIS A 89 -22.124 -19.020 -2.253 1.00 0.00 C ATOM 1488 C HIS A 89 -22.730 -18.211 -3.411 1.00 0.00 C ATOM 1489 O HIS A 89 -23.935 -18.256 -3.646 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.421 -18.320 -0.922 1.00 0.00 C ATOM 1491 CG HIS A 89 -22.090 -19.174 0.276 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.565 -20.445 0.526 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.322 -18.802 1.344 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -22.097 -20.819 1.731 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.352 -19.847 2.268 1.00 0.00 N ATOM 0 H HIS A 89 -20.113 -18.479 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.576 -20.012 -2.252 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.851 -17.393 -0.870 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.476 -18.048 -0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.789 -17.869 1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.296 -21.772 2.199 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.893 -19.866 3.179 1.00 0.00 H new ATOM 1503 N THR A 90 -21.874 -17.478 -4.130 1.00 0.00 N ATOM 1504 CA THR A 90 -22.310 -16.625 -5.247 1.00 0.00 C ATOM 1505 C THR A 90 -22.253 -17.398 -6.588 1.00 0.00 C ATOM 1506 O THR A 90 -22.639 -16.873 -7.629 1.00 0.00 O ATOM 1507 CB THR A 90 -21.406 -15.378 -5.355 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.147 -14.832 -4.073 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.989 -14.220 -6.163 1.00 0.00 C ATOM 0 H THR A 90 -20.869 -17.457 -3.959 1.00 0.00 H new ATOM 0 HA THR A 90 -23.338 -16.322 -5.049 1.00 0.00 H new ATOM 0 HB THR A 90 -20.518 -15.758 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.639 -15.478 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.278 -13.394 -6.179 1.00 0.00 H new ATOM 0 HG22 THR A 90 -22.185 -14.550 -7.183 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.920 -13.889 -5.704 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.776 -18.657 -6.540 1.00 0.00 N ATOM 1518 CA GLY A 91 -21.649 -19.483 -7.751 1.00 0.00 C ATOM 1519 C GLY A 91 -20.711 -18.851 -8.798 1.00 0.00 C ATOM 1520 O GLY A 91 -20.825 -19.129 -9.989 1.00 0.00 O ATOM 0 H GLY A 91 -21.475 -19.119 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -21.272 -20.468 -7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -22.635 -19.630 -8.192 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.806 -17.976 -8.340 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.940 -17.213 -9.239 1.00 0.00 C ATOM 1526 C GLU A 92 -17.585 -17.916 -9.423 1.00 0.00 C ATOM 1527 O GLU A 92 -16.933 -18.293 -8.448 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.719 -15.801 -8.673 1.00 0.00 C ATOM 1529 CG GLU A 92 -18.249 -14.816 -9.752 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.624 -13.568 -9.124 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.353 -12.857 -8.398 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.409 -13.368 -9.345 1.00 0.00 O ATOM 0 H GLU A 92 -19.657 -17.781 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.428 -17.145 -10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.647 -15.438 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.980 -15.843 -7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -17.522 -15.303 -10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -19.093 -14.528 -10.378 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.140 -18.021 -10.684 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.820 -18.582 -11.008 1.00 0.00 C ATOM 1541 C LYS A 93 -15.214 -17.835 -12.216 1.00 0.00 C ATOM 1542 O LYS A 93 -15.379 -18.258 -13.359 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.950 -20.088 -11.334 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.397 -20.935 -10.133 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.307 -22.436 -10.417 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.781 -23.219 -9.190 1.00 0.00 C ATOM 1547 NZ LYS A 93 -16.629 -24.673 -9.396 1.00 0.00 N ATOM 0 H LYS A 93 -17.677 -17.724 -11.499 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.163 -18.461 -10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.666 -20.216 -12.146 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.990 -20.459 -11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.778 -20.693 -9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.423 -20.678 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.919 -22.690 -11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.281 -22.709 -10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.209 -22.911 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.826 -22.985 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -16.958 -25.180 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.194 -24.968 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.628 -24.897 -9.566 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.603 -16.654 -11.978 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.163 -15.767 -13.054 1.00 0.00 C ATOM 1563 C PRO A 94 -12.871 -16.247 -13.742 1.00 0.00 C ATOM 1564 O PRO A 94 -12.614 -15.898 -14.894 1.00 0.00 O ATOM 1565 CB PRO A 94 -13.936 -14.423 -12.347 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.578 -14.796 -10.910 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.414 -16.048 -10.666 1.00 0.00 C ATOM 0 HA PRO A 94 -14.898 -15.721 -13.858 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.134 -13.857 -12.821 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.830 -13.800 -12.383 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.512 -14.993 -10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.830 -13.999 -10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.906 -16.733 -9.987 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.371 -15.797 -10.208 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.061 -17.050 -13.033 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.763 -17.496 -13.563 1.00 0.00 C ATOM 1577 C PHE A 95 -10.943 -18.678 -14.532 1.00 0.00 C ATOM 1578 O PHE A 95 -10.731 -19.831 -14.167 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.833 -17.895 -12.413 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.582 -16.764 -11.450 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.687 -15.731 -11.786 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.288 -16.722 -10.240 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.493 -14.656 -10.902 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.080 -15.651 -9.350 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.187 -14.618 -9.681 1.00 0.00 C ATOM 0 H PHE A 95 -12.279 -17.401 -12.100 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.315 -16.668 -14.113 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.269 -18.736 -11.874 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.882 -18.237 -12.822 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.150 -15.765 -12.722 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.987 -17.507 -9.992 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.811 -13.860 -11.161 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.609 -15.623 -8.409 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.034 -13.796 -8.998 1.00 0.00 H new ATOM 1595 N SER A 96 -11.329 -18.369 -15.771 1.00 0.00 N ATOM 1596 CA SER A 96 -11.514 -19.390 -16.815 1.00 0.00 C ATOM 1597 C SER A 96 -10.184 -19.710 -17.503 1.00 0.00 C ATOM 1598 O SER A 96 -9.392 -18.809 -17.789 1.00 0.00 O ATOM 1599 CB SER A 96 -12.517 -18.889 -17.860 1.00 0.00 C ATOM 1600 OG SER A 96 -13.725 -18.463 -17.252 1.00 0.00 O ATOM 0 H SER A 96 -11.521 -17.417 -16.081 1.00 0.00 H new ATOM 0 HA SER A 96 -11.894 -20.297 -16.344 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.079 -18.064 -18.421 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.728 -19.684 -18.575 1.00 0.00 H new ATOM 0 HG SER A 96 -14.128 -17.749 -17.790 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.967 -20.995 -17.811 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.771 -21.428 -18.537 1.00 0.00 C ATOM 1608 C CYS A 97 -8.822 -20.966 -19.987 1.00 0.00 C ATOM 1609 O CYS A 97 -9.894 -20.658 -20.525 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.644 -22.964 -18.492 1.00 0.00 C ATOM 1611 SG CYS A 97 -7.003 -23.573 -18.944 1.00 0.00 S ATOM 0 H CYS A 97 -10.606 -21.752 -17.568 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.903 -20.979 -18.054 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.886 -23.310 -17.487 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.382 -23.400 -19.166 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.201 -23.454 -17.928 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.655 -20.957 -20.622 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.545 -20.666 -22.037 1.00 0.00 C ATOM 1618 C ARG A 98 -7.046 -21.900 -22.772 1.00 0.00 C ATOM 1619 O ARG A 98 -7.847 -22.726 -23.209 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.587 -19.470 -22.252 1.00 0.00 C ATOM 1621 CG ARG A 98 -6.308 -19.044 -23.711 1.00 0.00 C ATOM 1622 CD ARG A 98 -7.547 -18.951 -24.615 1.00 0.00 C ATOM 1623 NE ARG A 98 -7.881 -20.262 -25.201 1.00 0.00 N ATOM 1624 CZ ARG A 98 -9.075 -20.766 -25.481 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -10.192 -20.087 -25.329 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -9.147 -21.996 -25.929 1.00 0.00 N ATOM 0 H ARG A 98 -6.763 -21.152 -20.167 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.523 -20.397 -22.435 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.995 -18.610 -21.721 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.634 -19.712 -21.782 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.812 -18.073 -23.700 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.609 -19.754 -24.152 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.394 -18.582 -24.038 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.365 -18.230 -25.412 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.086 -20.862 -25.421 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.163 -19.128 -24.982 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.087 -20.519 -25.559 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.296 -22.543 -26.055 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.054 -22.406 -26.151 1.00 0.00 H new ATOM 1640 N TRP A 99 -5.712 -22.079 -22.801 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.093 -23.294 -23.349 1.00 0.00 C ATOM 1642 C TRP A 99 -5.574 -23.556 -24.828 1.00 0.00 C ATOM 1643 O TRP A 99 -6.340 -22.762 -25.389 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.429 -24.502 -22.413 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.299 -24.656 -21.426 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.088 -23.778 -20.423 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.142 -25.562 -21.398 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.901 -24.054 -19.783 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.250 -25.113 -20.373 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.731 -26.704 -22.123 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -1.004 -25.710 -20.131 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.482 -27.314 -21.893 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.611 -26.811 -20.910 1.00 0.00 C ATOM 0 H TRP A 99 -5.043 -21.394 -22.450 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.011 -23.166 -23.387 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.370 -24.329 -21.891 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.552 -25.414 -22.997 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.757 -22.972 -20.159 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.549 -23.540 -18.975 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.390 -27.119 -22.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.356 -25.328 -19.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.191 -28.175 -22.476 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.355 -27.269 -20.755 1.00 0.00 H new ATOM 1664 N PRO A 100 -5.031 -24.601 -25.501 1.00 0.00 N ATOM 1665 CA PRO A 100 -5.363 -24.890 -26.898 1.00 0.00 C ATOM 1666 C PRO A 100 -6.880 -25.014 -27.133 1.00 0.00 C ATOM 1667 O PRO A 100 -7.384 -24.618 -28.181 1.00 0.00 O ATOM 1668 CB PRO A 100 -4.655 -26.223 -27.174 1.00 0.00 C ATOM 1669 CG PRO A 100 -3.439 -26.164 -26.247 1.00 0.00 C ATOM 1670 CD PRO A 100 -4.018 -25.511 -24.994 1.00 0.00 C ATOM 0 HA PRO A 100 -5.046 -24.086 -27.562 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.295 -27.075 -26.946 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.361 -26.315 -28.220 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.037 -27.156 -26.040 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.629 -25.574 -26.676 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.450 -26.253 -24.322 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.251 -24.979 -24.431 1.00 0.00 H new ATOM 1678 N SER A 101 -7.603 -25.534 -26.125 1.00 0.00 N ATOM 1679 CA SER A 101 -9.063 -25.653 -26.193 1.00 0.00 C ATOM 1680 C SER A 101 -9.651 -25.991 -24.804 1.00 0.00 C ATOM 1681 O SER A 101 -10.044 -27.136 -24.550 1.00 0.00 O ATOM 1682 CB SER A 101 -9.455 -26.753 -27.206 1.00 0.00 C ATOM 1683 OG SER A 101 -9.027 -28.023 -26.758 1.00 0.00 O ATOM 0 H SER A 101 -7.196 -25.877 -25.255 1.00 0.00 H new ATOM 0 HA SER A 101 -9.471 -24.696 -26.519 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.536 -26.757 -27.345 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.009 -26.535 -28.177 1.00 0.00 H new ATOM 0 HG SER A 101 -9.250 -28.127 -25.809 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.706 -24.987 -23.914 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.288 -25.167 -22.579 1.00 0.00 C ATOM 1691 C CYS A 102 -11.156 -23.959 -22.185 1.00 0.00 C ATOM 1692 O CYS A 102 -11.003 -22.860 -22.728 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.175 -25.357 -21.544 1.00 0.00 C ATOM 1694 SG CYS A 102 -9.945 -25.807 -19.962 1.00 0.00 S ATOM 0 H CYS A 102 -9.355 -24.047 -24.096 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.921 -26.054 -22.604 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.485 -26.136 -21.866 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.594 -24.441 -21.437 1.00 0.00 H new ATOM 0 HG CYS A 102 -11.051 -26.453 -20.186 1.00 0.00 H new ATOM 1699 N GLN A 103 -12.042 -24.180 -21.207 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.855 -23.115 -20.614 1.00 0.00 C ATOM 1701 C GLN A 103 -13.188 -23.446 -19.132 1.00 0.00 C ATOM 1702 O GLN A 103 -14.153 -22.920 -18.575 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.172 -22.942 -21.419 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.064 -22.179 -22.750 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.612 -20.734 -22.551 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -14.416 -19.830 -22.379 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -12.320 -20.474 -22.543 1.00 0.00 N ATOM 0 H GLN A 103 -12.215 -25.102 -20.806 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.286 -22.186 -20.648 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.579 -23.932 -21.625 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.894 -22.425 -20.786 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.359 -22.692 -23.405 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.031 -22.190 -23.252 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.647 -21.227 -22.686 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.993 -19.520 -22.393 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.373 -24.327 -18.505 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.583 -24.717 -17.096 1.00 0.00 C ATOM 1718 C LYS A 104 -12.437 -23.504 -16.188 1.00 0.00 C ATOM 1719 O LYS A 104 -11.478 -22.746 -16.305 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.569 -25.807 -16.681 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.131 -27.239 -16.779 1.00 0.00 C ATOM 1722 CD LYS A 104 -12.056 -27.877 -18.173 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.657 -28.451 -18.421 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.485 -28.894 -19.818 1.00 0.00 N ATOM 0 H LYS A 104 -11.572 -24.776 -18.950 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.592 -25.118 -16.996 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.684 -25.728 -17.313 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.247 -25.621 -15.656 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.590 -27.873 -16.077 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.173 -27.226 -16.459 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.801 -28.668 -18.259 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.291 -27.133 -18.934 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.907 -27.696 -18.184 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.485 -29.292 -17.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.798 -29.674 -19.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.398 -29.220 -20.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.137 -28.101 -20.393 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.440 -23.281 -15.332 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.532 -22.042 -14.556 1.00 0.00 C ATOM 1740 C LYS A 105 -13.228 -22.287 -13.083 1.00 0.00 C ATOM 1741 O LYS A 105 -13.664 -23.282 -12.506 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.939 -21.439 -14.702 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.335 -21.318 -16.180 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.436 -20.287 -16.452 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.846 -20.285 -17.935 1.00 0.00 C ATOM 1746 NZ LYS A 105 -15.689 -20.123 -18.842 1.00 0.00 N ATOM 0 H LYS A 105 -14.198 -23.942 -15.160 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.790 -21.344 -14.944 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.662 -22.064 -14.178 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.968 -20.456 -14.232 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.452 -21.052 -16.761 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.669 -22.292 -16.536 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.305 -20.508 -15.832 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.086 -19.295 -16.168 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.359 -21.218 -18.168 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.557 -19.478 -18.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.009 -19.713 -19.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.989 -19.491 -18.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.254 -21.051 -19.019 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.508 -21.343 -12.474 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.150 -21.416 -11.055 1.00 0.00 C ATOM 1762 C PHE A 106 -12.487 -20.106 -10.349 1.00 0.00 C ATOM 1763 O PHE A 106 -12.658 -19.067 -10.991 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.649 -21.714 -10.914 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.275 -23.010 -11.608 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.483 -24.243 -10.962 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.863 -22.987 -12.954 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.307 -25.446 -11.668 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.701 -24.186 -13.665 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.940 -25.414 -13.025 1.00 0.00 C ATOM 0 H PHE A 106 -12.158 -20.510 -12.947 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.724 -22.218 -10.590 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.072 -20.892 -11.338 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.386 -21.776 -9.858 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.778 -24.265 -9.923 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.671 -22.043 -13.441 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.453 -26.393 -11.169 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.394 -24.165 -14.700 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.841 -26.337 -13.578 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.586 -20.162 -9.019 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.921 -18.985 -8.222 1.00 0.00 C ATOM 1782 C ALA A 107 -11.657 -18.353 -7.609 1.00 0.00 C ATOM 1783 O ALA A 107 -11.737 -17.320 -6.946 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.902 -19.377 -7.109 1.00 0.00 C ATOM 0 H ALA A 107 -12.439 -21.011 -8.473 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.386 -18.248 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.150 -18.497 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.811 -19.784 -7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.443 -20.129 -6.467 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.488 -18.964 -7.871 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.206 -18.433 -7.400 1.00 0.00 C ATOM 1792 C ARG A 108 -8.169 -18.440 -8.531 1.00 0.00 C ATOM 1793 O ARG A 108 -8.073 -19.401 -9.304 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.697 -19.272 -6.220 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.556 -19.114 -4.948 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.499 -20.339 -4.030 1.00 0.00 C ATOM 1797 NE ARG A 108 -8.112 -20.723 -3.752 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.402 -20.396 -2.684 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -7.908 -19.846 -1.605 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.114 -20.561 -2.722 1.00 0.00 N ATOM 0 H ARG A 108 -10.410 -19.828 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.355 -17.404 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.679 -20.322 -6.510 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.670 -18.986 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.219 -18.237 -4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.591 -18.931 -5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.014 -20.121 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.024 -21.172 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.647 -21.301 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.907 -19.646 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.302 -19.619 -0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.672 -20.935 -3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.544 -20.317 -1.912 1.00 0.00 H new ATOM 1814 N SER A 109 -7.383 -17.370 -8.606 1.00 0.00 N ATOM 1815 CA SER A 109 -6.353 -17.237 -9.631 1.00 0.00 C ATOM 1816 C SER A 109 -5.317 -18.361 -9.514 1.00 0.00 C ATOM 1817 O SER A 109 -4.919 -18.944 -10.514 1.00 0.00 O ATOM 1818 CB SER A 109 -5.654 -15.871 -9.502 1.00 0.00 C ATOM 1819 OG SER A 109 -5.595 -15.417 -8.160 1.00 0.00 O ATOM 0 H SER A 109 -7.441 -16.578 -7.965 1.00 0.00 H new ATOM 0 HA SER A 109 -6.833 -17.308 -10.607 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.643 -15.944 -9.902 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.184 -15.136 -10.108 1.00 0.00 H new ATOM 0 HG SER A 109 -5.142 -14.549 -8.128 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.937 -18.704 -8.275 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.987 -19.801 -8.037 1.00 0.00 C ATOM 1827 C ASP A 110 -4.600 -21.178 -8.420 1.00 0.00 C ATOM 1828 O ASP A 110 -3.891 -22.059 -8.887 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.534 -19.812 -6.577 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.626 -19.792 -5.515 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.395 -20.775 -5.423 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.629 -18.799 -4.755 1.00 0.00 O ATOM 0 H ASP A 110 -5.269 -18.242 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.120 -19.630 -8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.923 -20.701 -6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.889 -18.949 -6.416 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.924 -21.344 -8.226 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.618 -22.568 -8.674 1.00 0.00 C ATOM 1839 C GLU A 111 -6.492 -22.720 -10.189 1.00 0.00 C ATOM 1840 O GLU A 111 -6.203 -23.810 -10.687 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.108 -22.524 -8.290 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.439 -22.969 -6.863 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.943 -22.852 -6.546 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.668 -22.116 -7.262 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.348 -23.476 -5.541 1.00 0.00 O ATOM 0 H GLU A 111 -6.526 -20.658 -7.770 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.151 -23.420 -8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.469 -21.505 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.662 -23.154 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.120 -24.002 -6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.873 -22.363 -6.156 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.658 -21.605 -10.919 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.469 -21.604 -12.371 1.00 0.00 C ATOM 1854 C LEU A 112 -4.986 -21.868 -12.738 1.00 0.00 C ATOM 1855 O LEU A 112 -4.699 -22.638 -13.657 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.927 -20.263 -12.964 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.683 -20.175 -14.484 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.427 -21.274 -15.242 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.112 -18.820 -15.047 1.00 0.00 C ATOM 0 H LEU A 112 -6.921 -20.701 -10.527 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.074 -22.407 -12.793 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.989 -20.124 -12.761 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.398 -19.450 -12.467 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.610 -20.303 -14.625 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.229 -21.177 -16.310 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.085 -22.250 -14.896 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.498 -21.180 -15.061 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.925 -18.796 -16.121 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.175 -18.669 -14.861 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.542 -18.027 -14.562 1.00 0.00 H new ATOM 1871 N VAL A 113 -4.052 -21.272 -11.972 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.608 -21.539 -12.159 1.00 0.00 C ATOM 1873 C VAL A 113 -2.325 -23.035 -11.993 1.00 0.00 C ATOM 1874 O VAL A 113 -1.643 -23.643 -12.818 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.768 -20.732 -11.132 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.284 -21.132 -11.139 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.807 -19.216 -11.358 1.00 0.00 C ATOM 0 H VAL A 113 -4.265 -20.610 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.327 -21.228 -13.165 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.236 -20.977 -10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.257 -20.537 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.191 -22.189 -10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.136 -20.954 -12.129 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.198 -18.720 -10.603 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.416 -18.986 -12.349 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.836 -18.863 -11.283 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.888 -23.630 -10.931 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.729 -25.058 -10.673 1.00 0.00 C ATOM 1889 C ARG A 114 -3.326 -25.880 -11.822 1.00 0.00 C ATOM 1890 O ARG A 114 -2.654 -26.744 -12.378 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.411 -25.431 -9.344 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.203 -26.911 -8.977 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.750 -27.237 -7.582 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.925 -26.644 -6.516 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.153 -26.727 -5.209 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.203 -27.353 -4.730 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.322 -26.170 -4.359 1.00 0.00 N ATOM 0 H ARG A 114 -3.456 -23.140 -10.240 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.665 -25.284 -10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -3.016 -24.802 -8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.479 -25.223 -9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.697 -27.541 -9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.140 -27.148 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.772 -26.868 -7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.790 -28.318 -7.451 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.100 -26.120 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.869 -27.792 -5.366 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.352 -27.401 -3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.500 -25.673 -4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.498 -26.235 -3.356 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.552 -25.524 -12.247 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.211 -26.218 -13.365 1.00 0.00 C ATOM 1913 C HIS A 115 -4.318 -26.221 -14.602 1.00 0.00 C ATOM 1914 O HIS A 115 -4.072 -27.271 -15.188 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.547 -25.539 -13.698 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.210 -26.153 -14.917 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.779 -27.405 -14.970 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.286 -25.612 -16.179 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -8.200 -27.601 -16.231 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.941 -26.530 -16.993 1.00 0.00 N ATOM 0 H HIS A 115 -5.100 -24.768 -11.837 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.395 -27.249 -13.062 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.217 -25.619 -12.842 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.379 -24.476 -13.873 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.865 -28.063 -14.195 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.906 -24.648 -16.483 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.682 -28.501 -16.583 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.776 -25.049 -14.950 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.852 -24.934 -16.073 1.00 0.00 C ATOM 1930 C HIS A 116 -1.634 -25.883 -15.886 1.00 0.00 C ATOM 1931 O HIS A 116 -1.228 -26.568 -16.825 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.363 -23.481 -16.208 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.344 -22.434 -16.708 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.503 -22.596 -17.451 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -3.122 -21.084 -16.618 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.939 -21.373 -17.810 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -4.131 -20.421 -17.321 1.00 0.00 N ATOM 0 H HIS A 116 -3.964 -24.170 -14.468 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.381 -25.223 -16.981 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.003 -23.159 -15.231 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.505 -23.480 -16.880 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.305 -20.613 -16.092 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.818 -21.185 -18.409 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.233 -19.413 -17.439 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.118 -25.981 -14.643 1.00 0.00 N ATOM 1946 CA ASN A 117 0.046 -26.841 -14.353 1.00 0.00 C ATOM 1947 C ASN A 117 -0.335 -28.337 -14.433 1.00 0.00 C ATOM 1948 O ASN A 117 0.537 -29.202 -14.523 1.00 0.00 O ATOM 1949 CB ASN A 117 0.627 -26.504 -12.944 1.00 0.00 C ATOM 1950 CG ASN A 117 0.370 -27.416 -11.733 1.00 0.00 C ATOM 1951 OD1 ASN A 117 -0.018 -26.965 -10.668 1.00 0.00 O ATOM 1952 ND2 ASN A 117 0.651 -28.703 -11.803 1.00 0.00 N ATOM 0 H ASN A 117 -1.485 -25.481 -13.833 1.00 0.00 H new ATOM 0 HA ASN A 117 0.809 -26.646 -15.106 1.00 0.00 H new ATOM 0 HB2 ASN A 117 1.708 -26.424 -13.057 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.260 -25.513 -12.678 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.542 -29.294 -10.979 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.977 -29.107 -12.681 1.00 0.00 H new ATOM 1959 N MET A 118 -1.644 -28.622 -14.400 1.00 0.00 N ATOM 1960 CA MET A 118 -2.154 -29.993 -14.489 1.00 0.00 C ATOM 1961 C MET A 118 -2.766 -30.260 -15.886 1.00 0.00 C ATOM 1962 O MET A 118 -3.311 -31.332 -16.137 1.00 0.00 O ATOM 1963 CB MET A 118 -3.222 -30.213 -13.398 1.00 0.00 C ATOM 1964 CG MET A 118 -3.488 -31.681 -13.038 1.00 0.00 C ATOM 1965 SD MET A 118 -4.724 -31.928 -11.727 1.00 0.00 S ATOM 1966 CE MET A 118 -3.831 -31.298 -10.280 1.00 0.00 C ATOM 0 H MET A 118 -2.372 -27.913 -14.312 1.00 0.00 H new ATOM 0 HA MET A 118 -1.327 -30.687 -14.339 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.913 -29.684 -12.497 1.00 0.00 H new ATOM 0 HB3 MET A 118 -4.157 -29.761 -13.729 1.00 0.00 H new ATOM 0 HG2 MET A 118 -3.818 -32.207 -13.934 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.550 -32.140 -12.726 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.386 -31.544 -9.375 1.00 0.00 H new ATOM 0 HE2 MET A 118 -2.842 -31.755 -10.235 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.728 -30.216 -10.359 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.699 -29.254 -16.775 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.384 -29.319 -18.061 1.00 0.00 C ATOM 1978 C HIS A 119 -2.691 -30.305 -19.006 1.00 0.00 C ATOM 1979 O HIS A 119 -3.146 -30.526 -20.134 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.416 -27.929 -18.695 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.690 -27.689 -19.436 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.175 -28.448 -20.472 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.655 -26.800 -19.065 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.429 -28.023 -20.707 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.765 -27.049 -19.864 1.00 0.00 N ATOM 0 H HIS A 119 -2.177 -28.392 -16.620 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.402 -29.670 -17.891 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.298 -27.172 -17.919 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.572 -27.821 -19.377 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.680 -29.190 -20.967 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.573 -26.046 -18.296 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -7.076 -28.418 -21.476 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -7.667 -26.575 -19.814 1.00 0.00 H new