USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 155:sc= -0.899 USER MOD Set 1.2: A 72 CYS SG : rot -41:sc= 0.51 USER MOD Set 1.3: A 91 HIS : no HE2:sc= -1.15 K(o=-2.3,f=-7.2!) USER MOD Set 1.4: A 94 CYS SG : rot 169:sc= -0.759 USER MOD Set 2.1: A 36 CYS SG : rot 151:sc= 0.0098 USER MOD Set 2.2: A 39 CYS SG : rot -55:sc= 0.308 USER MOD Set 2.3: A 57 CYS SG : rot -128:sc= -0.157 USER MOD Set 2.4: A 60 CYS SG : rot 85:sc= -0.556 USER MOD Set 3.1: A 8 CYS SG : rot 157:sc= 0.87 USER MOD Set 3.2: A 11 CYS SG : rot -48:sc= -0.549 USER MOD Set 3.3: A 30 HIS : no HE2:sc= -1.49! C(o=-2.2!,f=-7.6!) USER MOD Set 3.4: A 33 CYS SG : rot 59:sc= -1.06 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-0.39) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.202 K(o=-0.2,f=0.6) USER MOD Single : A 32 THR OG1 : rot -30:sc= 0.13 USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0474) USER MOD Single : A 41 HIS : no HD1:sc= -3.97 K(o=-4,f=-3.2) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.00038) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00786 USER MOD Single : A 51 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.07) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc=-0.00292 (180deg=-0.14) USER MOD Single : A 58 ASN : amide:sc=-0.00416 K(o=-0.0042,f=-2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -28:sc= 0.0967 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.7!) USER MOD Single : A 82 ASN : amide:sc= -0.875 X(o=-0.88,f=-0.63) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.653 17.252 -12.936 1.00 0.00 N ATOM 60 CA GLY A 7 -5.097 16.740 -11.653 1.00 0.00 C ATOM 61 C GLY A 7 -4.878 15.246 -11.517 1.00 0.00 C ATOM 62 O GLY A 7 -4.469 14.582 -12.470 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.563 17.256 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.156 16.962 -11.524 1.00 0.00 H new ATOM 66 N CYS A 8 -5.150 14.716 -10.329 1.00 0.00 N ATOM 67 CA CYS A 8 -4.979 13.291 -10.071 1.00 0.00 C ATOM 68 C CYS A 8 -6.236 12.514 -10.451 1.00 0.00 C ATOM 69 O CYS A 8 -7.355 12.994 -10.267 1.00 0.00 O ATOM 70 CB CYS A 8 -4.647 13.056 -8.596 1.00 0.00 C ATOM 71 SG CYS A 8 -4.100 11.360 -8.218 1.00 0.00 S ATOM 0 H CYS A 8 -5.490 15.252 -9.530 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.153 12.932 -10.685 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.866 13.754 -8.295 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.527 13.285 -7.996 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.399 11.364 -7.123 1.00 0.00 H new ATOM 76 N VAL A 9 -6.043 11.312 -10.983 1.00 0.00 N ATOM 77 CA VAL A 9 -7.160 10.467 -11.389 1.00 0.00 C ATOM 78 C VAL A 9 -7.532 9.482 -10.287 1.00 0.00 C ATOM 79 O VAL A 9 -8.606 8.881 -10.315 1.00 0.00 O ATOM 80 CB VAL A 9 -6.834 9.684 -12.674 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.336 10.624 -13.761 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.810 8.595 -12.389 1.00 0.00 C ATOM 0 H VAL A 9 -5.123 10.901 -11.143 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.004 11.129 -11.581 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.748 9.208 -13.030 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.111 10.052 -14.661 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.106 11.363 -13.984 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.434 11.131 -13.418 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.591 8.052 -13.308 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.894 9.047 -12.008 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.210 7.905 -11.646 1.00 0.00 H new ATOM 92 N GLU A 10 -6.638 9.321 -9.317 1.00 0.00 N ATOM 93 CA GLU A 10 -6.873 8.407 -8.205 1.00 0.00 C ATOM 94 C GLU A 10 -7.738 9.065 -7.134 1.00 0.00 C ATOM 95 O GLU A 10 -8.795 8.549 -6.769 1.00 0.00 O ATOM 96 CB GLU A 10 -5.543 7.956 -7.596 1.00 0.00 C ATOM 97 CG GLU A 10 -5.592 6.562 -6.994 1.00 0.00 C ATOM 98 CD GLU A 10 -4.240 6.100 -6.484 1.00 0.00 C ATOM 99 OE1 GLU A 10 -3.447 5.579 -7.296 1.00 0.00 O ATOM 100 OE2 GLU A 10 -3.976 6.259 -5.274 1.00 0.00 O ATOM 0 H GLU A 10 -5.744 9.811 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.402 7.535 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.772 7.983 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.247 8.666 -6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.310 6.549 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.953 5.859 -7.744 1.00 0.00 H new ATOM 107 N CYS A 11 -7.280 10.208 -6.632 1.00 0.00 N ATOM 108 CA CYS A 11 -8.010 10.937 -5.602 1.00 0.00 C ATOM 109 C CYS A 11 -8.845 12.057 -6.216 1.00 0.00 C ATOM 110 O CYS A 11 -9.448 12.859 -5.502 1.00 0.00 O ATOM 111 CB CYS A 11 -7.037 11.517 -4.573 1.00 0.00 C ATOM 112 SG CYS A 11 -5.719 12.548 -5.293 1.00 0.00 S ATOM 0 H CYS A 11 -6.407 10.649 -6.922 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.682 10.238 -5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.598 12.114 -3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.580 10.697 -4.019 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.182 11.925 -6.300 1.00 0.00 H new ATOM 117 N ARG A 12 -8.875 12.105 -7.544 1.00 0.00 N ATOM 118 CA ARG A 12 -9.634 13.127 -8.255 1.00 0.00 C ATOM 119 C ARG A 12 -9.403 14.503 -7.638 1.00 0.00 C ATOM 120 O ARG A 12 -10.303 15.343 -7.613 1.00 0.00 O ATOM 121 CB ARG A 12 -11.126 12.790 -8.233 1.00 0.00 C ATOM 122 CG ARG A 12 -11.589 11.996 -9.444 1.00 0.00 C ATOM 123 CD ARG A 12 -12.720 11.044 -9.087 1.00 0.00 C ATOM 124 NE ARG A 12 -13.630 10.829 -10.209 1.00 0.00 N ATOM 125 CZ ARG A 12 -14.894 10.449 -10.067 1.00 0.00 C ATOM 126 NH1 ARG A 12 -15.397 10.244 -8.857 1.00 0.00 N ATOM 127 NH2 ARG A 12 -15.660 10.274 -11.136 1.00 0.00 N ATOM 0 H ARG A 12 -8.382 11.448 -8.149 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.288 13.149 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.348 12.222 -7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.698 13.716 -8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.921 12.681 -10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.751 11.431 -9.852 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.303 10.088 -8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.277 11.445 -8.240 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.275 10.979 -11.153 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.812 10.378 -8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.369 9.952 -8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.278 10.431 -12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.631 9.982 -11.025 1.00 0.00 H new ATOM 141 N LYS A 13 -8.191 14.727 -7.142 1.00 0.00 N ATOM 142 CA LYS A 13 -7.840 16.002 -6.525 1.00 0.00 C ATOM 143 C LYS A 13 -6.820 16.754 -7.374 1.00 0.00 C ATOM 144 O LYS A 13 -6.065 16.164 -8.147 1.00 0.00 O ATOM 145 CB LYS A 13 -7.281 15.775 -5.119 1.00 0.00 C ATOM 146 CG LYS A 13 -8.334 15.366 -4.104 1.00 0.00 C ATOM 147 CD LYS A 13 -8.927 16.574 -3.398 1.00 0.00 C ATOM 148 CE LYS A 13 -9.485 16.204 -2.033 1.00 0.00 C ATOM 149 NZ LYS A 13 -10.129 17.367 -1.362 1.00 0.00 N ATOM 0 H LYS A 13 -7.435 14.043 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.745 16.605 -6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.512 15.004 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.796 16.690 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.127 14.811 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.890 14.695 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.162 17.342 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.719 17.003 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.213 15.400 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.681 15.821 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.496 17.073 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.428 18.125 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.913 17.717 -1.950 1.00 0.00 H new ATOM 163 N PRO A 14 -6.796 18.087 -7.228 1.00 0.00 N ATOM 164 CA PRO A 14 -5.871 18.947 -7.972 1.00 0.00 C ATOM 165 C PRO A 14 -4.425 18.773 -7.520 1.00 0.00 C ATOM 166 O PRO A 14 -4.152 18.627 -6.329 1.00 0.00 O ATOM 167 CB PRO A 14 -6.365 20.360 -7.651 1.00 0.00 C ATOM 168 CG PRO A 14 -7.056 20.230 -6.337 1.00 0.00 C ATOM 169 CD PRO A 14 -7.668 18.856 -6.325 1.00 0.00 C ATOM 0 HA PRO A 14 -5.865 18.714 -9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.536 21.066 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.044 20.727 -8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.353 20.351 -5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.820 20.999 -6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.682 18.431 -5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.699 18.872 -6.679 1.00 0.00 H new ATOM 177 N ILE A 15 -3.505 18.789 -8.478 1.00 0.00 N ATOM 178 CA ILE A 15 -2.087 18.634 -8.177 1.00 0.00 C ATOM 179 C ILE A 15 -1.354 19.967 -8.280 1.00 0.00 C ATOM 180 O ILE A 15 -1.596 20.751 -9.196 1.00 0.00 O ATOM 181 CB ILE A 15 -1.418 17.619 -9.123 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.171 16.287 -9.092 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.040 17.418 -8.739 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.802 15.358 -10.228 1.00 0.00 C ATOM 0 H ILE A 15 -3.716 18.908 -9.469 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.021 18.264 -7.154 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.455 18.013 -10.139 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.970 15.787 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.243 16.484 -9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.499 16.698 -9.417 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.569 18.369 -8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.099 17.043 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.374 14.434 -10.143 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.029 15.839 -11.180 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.737 15.131 -10.181 1.00 0.00 H new ATOM 196 N GLY A 16 -0.455 20.217 -7.333 1.00 0.00 N ATOM 197 CA GLY A 16 0.301 21.455 -7.335 1.00 0.00 C ATOM 198 C GLY A 16 1.345 21.494 -8.434 1.00 0.00 C ATOM 199 O GLY A 16 1.401 20.602 -9.279 1.00 0.00 O ATOM 0 H GLY A 16 -0.237 19.583 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.383 22.295 -7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.790 21.580 -6.369 1.00 0.00 H new ATOM 203 N ALA A 17 2.174 22.533 -8.423 1.00 0.00 N ATOM 204 CA ALA A 17 3.221 22.685 -9.426 1.00 0.00 C ATOM 205 C ALA A 17 4.552 22.145 -8.915 1.00 0.00 C ATOM 206 O ALA A 17 5.273 21.457 -9.639 1.00 0.00 O ATOM 207 CB ALA A 17 3.361 24.147 -9.825 1.00 0.00 C ATOM 0 H ALA A 17 2.141 23.282 -7.731 1.00 0.00 H new ATOM 0 HA ALA A 17 2.936 22.106 -10.304 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.146 24.246 -10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.418 24.503 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.620 24.740 -8.948 1.00 0.00 H new ATOM 213 N ASP A 18 4.873 22.460 -7.665 1.00 0.00 N ATOM 214 CA ASP A 18 6.119 22.005 -7.057 1.00 0.00 C ATOM 215 C ASP A 18 5.927 20.658 -6.368 1.00 0.00 C ATOM 216 O ASP A 18 6.687 20.295 -5.471 1.00 0.00 O ATOM 217 CB ASP A 18 6.627 23.039 -6.051 1.00 0.00 C ATOM 218 CG ASP A 18 8.099 22.862 -5.733 1.00 0.00 C ATOM 219 OD1 ASP A 18 8.931 23.079 -6.637 1.00 0.00 O ATOM 220 OD2 ASP A 18 8.417 22.504 -4.579 1.00 0.00 O ATOM 0 H ASP A 18 4.288 23.029 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 18 6.859 21.885 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.462 24.040 -6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.048 22.962 -5.131 1.00 0.00 H new ATOM 225 N SER A 19 4.906 19.921 -6.794 1.00 0.00 N ATOM 226 CA SER A 19 4.611 18.616 -6.215 1.00 0.00 C ATOM 227 C SER A 19 5.045 17.495 -7.154 1.00 0.00 C ATOM 228 O SER A 19 4.745 17.517 -8.348 1.00 0.00 O ATOM 229 CB SER A 19 3.116 18.494 -5.913 1.00 0.00 C ATOM 230 OG SER A 19 2.746 19.322 -4.824 1.00 0.00 O ATOM 0 H SER A 19 4.269 20.206 -7.538 1.00 0.00 H new ATOM 0 HA SER A 19 5.171 18.524 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.540 18.770 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.871 17.457 -5.685 1.00 0.00 H new ATOM 0 HG SER A 19 1.786 19.227 -4.652 1.00 0.00 H new ATOM 236 N LYS A 20 5.753 16.513 -6.605 1.00 0.00 N ATOM 237 CA LYS A 20 6.228 15.381 -7.390 1.00 0.00 C ATOM 238 C LYS A 20 5.059 14.573 -7.943 1.00 0.00 C ATOM 239 O LYS A 20 4.415 13.819 -7.215 1.00 0.00 O ATOM 240 CB LYS A 20 7.125 14.481 -6.536 1.00 0.00 C ATOM 241 CG LYS A 20 8.373 15.178 -6.023 1.00 0.00 C ATOM 242 CD LYS A 20 9.490 14.186 -5.745 1.00 0.00 C ATOM 243 CE LYS A 20 10.688 14.863 -5.096 1.00 0.00 C ATOM 244 NZ LYS A 20 11.569 13.885 -4.400 1.00 0.00 N ATOM 0 H LYS A 20 6.010 16.479 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 20 6.806 15.770 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.551 14.110 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.420 13.612 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.710 15.910 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.136 15.726 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.121 13.394 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.799 13.713 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.262 15.392 -5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.340 15.610 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.373 14.386 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.028 13.398 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.922 13.187 -5.085 1.00 0.00 H new ATOM 258 N GLU A 21 4.792 14.734 -9.236 1.00 0.00 N ATOM 259 CA GLU A 21 3.700 14.018 -9.885 1.00 0.00 C ATOM 260 C GLU A 21 4.234 13.055 -10.941 1.00 0.00 C ATOM 261 O GLU A 21 5.395 13.135 -11.342 1.00 0.00 O ATOM 262 CB GLU A 21 2.724 15.006 -10.527 1.00 0.00 C ATOM 263 CG GLU A 21 3.372 15.923 -11.551 1.00 0.00 C ATOM 264 CD GLU A 21 2.354 16.681 -12.382 1.00 0.00 C ATOM 265 OE1 GLU A 21 1.878 17.738 -11.918 1.00 0.00 O ATOM 266 OE2 GLU A 21 2.035 16.216 -13.496 1.00 0.00 O ATOM 0 H GLU A 21 5.317 15.353 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 21 3.174 13.441 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.920 14.449 -11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.268 15.613 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.019 16.635 -11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.007 15.333 -12.211 1.00 0.00 H new ATOM 273 N VAL A 22 3.377 12.142 -11.387 1.00 0.00 N ATOM 274 CA VAL A 22 3.760 11.162 -12.397 1.00 0.00 C ATOM 275 C VAL A 22 2.813 11.203 -13.590 1.00 0.00 C ATOM 276 O VAL A 22 1.681 10.724 -13.515 1.00 0.00 O ATOM 277 CB VAL A 22 3.776 9.735 -11.817 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.231 8.736 -12.869 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.668 9.671 -10.586 1.00 0.00 C ATOM 0 H VAL A 22 2.413 12.060 -11.065 1.00 0.00 H new ATOM 0 HA VAL A 22 4.766 11.424 -12.726 1.00 0.00 H new ATOM 0 HB VAL A 22 2.762 9.472 -11.516 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.236 7.734 -12.441 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.548 8.765 -13.718 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.236 8.993 -13.204 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.668 8.656 -10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.685 9.954 -10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.291 10.357 -9.828 1.00 0.00 H new ATOM 289 N HIS A 23 3.283 11.778 -14.693 1.00 0.00 N ATOM 290 CA HIS A 23 2.478 11.881 -15.905 1.00 0.00 C ATOM 291 C HIS A 23 2.717 10.683 -16.819 1.00 0.00 C ATOM 292 O HIS A 23 3.831 10.465 -17.294 1.00 0.00 O ATOM 293 CB HIS A 23 2.801 13.178 -16.648 1.00 0.00 C ATOM 294 CG HIS A 23 2.234 13.230 -18.033 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.746 14.039 -19.026 1.00 0.00 N ATOM 296 CD2 HIS A 23 1.193 12.567 -18.590 1.00 0.00 C ATOM 297 CE1 HIS A 23 2.044 13.873 -20.133 1.00 0.00 C ATOM 298 NE2 HIS A 23 1.096 12.984 -19.895 1.00 0.00 N ATOM 0 H HIS A 23 4.217 12.180 -14.772 1.00 0.00 H new ATOM 0 HA HIS A 23 1.427 11.890 -15.615 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.416 14.021 -16.075 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.883 13.297 -16.702 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.543 14.668 -18.922 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.557 11.845 -18.099 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.216 14.378 -21.072 1.00 0.00 H new ATOM 307 N TYR A 24 1.663 9.911 -17.060 1.00 0.00 N ATOM 308 CA TYR A 24 1.759 8.733 -17.915 1.00 0.00 C ATOM 309 C TYR A 24 0.418 8.427 -18.574 1.00 0.00 C ATOM 310 O TYR A 24 -0.625 8.432 -17.919 1.00 0.00 O ATOM 311 CB TYR A 24 2.229 7.525 -17.103 1.00 0.00 C ATOM 312 CG TYR A 24 2.705 6.371 -17.956 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.986 6.363 -18.495 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.875 5.289 -18.223 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.426 5.311 -19.275 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.307 4.232 -19.000 1.00 0.00 C ATOM 317 CZ TYR A 24 3.583 4.248 -19.525 1.00 0.00 C ATOM 318 OH TYR A 24 4.016 3.197 -20.301 1.00 0.00 O ATOM 0 H TYR A 24 0.733 10.079 -16.676 1.00 0.00 H new ATOM 0 HA TYR A 24 2.488 8.942 -18.698 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.038 7.835 -16.441 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.411 7.184 -16.468 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.649 7.193 -18.301 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.875 5.274 -17.816 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.424 5.321 -19.687 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.650 3.398 -19.196 1.00 0.00 H new ATOM 0 HH TYR A 24 3.301 2.531 -20.378 1.00 0.00 H new ATOM 328 N LYS A 25 0.452 8.161 -19.875 1.00 0.00 N ATOM 329 CA LYS A 25 -0.759 7.851 -20.625 1.00 0.00 C ATOM 330 C LYS A 25 -1.809 8.942 -20.440 1.00 0.00 C ATOM 331 O LYS A 25 -2.986 8.654 -20.229 1.00 0.00 O ATOM 332 CB LYS A 25 -1.327 6.501 -20.180 1.00 0.00 C ATOM 333 CG LYS A 25 -0.398 5.331 -20.451 1.00 0.00 C ATOM 334 CD LYS A 25 -0.600 4.770 -21.849 1.00 0.00 C ATOM 335 CE LYS A 25 -1.902 3.989 -21.953 1.00 0.00 C ATOM 336 NZ LYS A 25 -2.417 3.955 -23.349 1.00 0.00 N ATOM 0 H LYS A 25 1.306 8.154 -20.432 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.498 7.799 -21.682 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.544 6.542 -19.113 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.274 6.328 -20.692 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.637 5.652 -20.333 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.574 4.547 -19.714 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.605 5.585 -22.572 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.237 4.121 -22.106 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.744 2.970 -21.599 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.650 4.440 -21.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.305 3.414 -23.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.592 4.926 -23.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.715 3.501 -23.967 1.00 0.00 H new ATOM 350 N ASN A 26 -1.374 10.195 -20.522 1.00 0.00 N ATOM 351 CA ASN A 26 -2.277 11.329 -20.364 1.00 0.00 C ATOM 352 C ASN A 26 -2.941 11.309 -18.991 1.00 0.00 C ATOM 353 O ASN A 26 -4.100 11.698 -18.846 1.00 0.00 O ATOM 354 CB ASN A 26 -3.344 11.315 -21.460 1.00 0.00 C ATOM 355 CG ASN A 26 -3.891 12.698 -21.754 1.00 0.00 C ATOM 356 OD1 ASN A 26 -4.222 13.454 -20.840 1.00 0.00 O ATOM 357 ND2 ASN A 26 -3.987 13.037 -23.034 1.00 0.00 N ATOM 0 H ASN A 26 -0.402 10.451 -20.697 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.690 12.243 -20.450 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.919 10.894 -22.371 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.162 10.661 -21.158 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.347 13.956 -23.293 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.701 12.379 -23.759 1.00 0.00 H new ATOM 364 N ARG A 27 -2.199 10.853 -17.987 1.00 0.00 N ATOM 365 CA ARG A 27 -2.717 10.781 -16.626 1.00 0.00 C ATOM 366 C ARG A 27 -1.753 11.439 -15.643 1.00 0.00 C ATOM 367 O ARG A 27 -0.707 11.956 -16.035 1.00 0.00 O ATOM 368 CB ARG A 27 -2.955 9.324 -16.225 1.00 0.00 C ATOM 369 CG ARG A 27 -3.948 8.600 -17.121 1.00 0.00 C ATOM 370 CD ARG A 27 -5.372 9.070 -16.867 1.00 0.00 C ATOM 371 NE ARG A 27 -6.354 8.236 -17.556 1.00 0.00 N ATOM 372 CZ ARG A 27 -6.820 7.093 -17.066 1.00 0.00 C ATOM 373 NH1 ARG A 27 -6.397 6.651 -15.890 1.00 0.00 N ATOM 374 NH2 ARG A 27 -7.713 6.391 -17.752 1.00 0.00 N ATOM 0 H ARG A 27 -1.238 10.528 -18.090 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.665 11.319 -16.595 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.005 8.791 -16.245 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.316 9.293 -15.197 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.688 8.770 -18.166 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.881 7.526 -16.947 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.573 9.057 -15.796 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.477 10.103 -17.198 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.701 8.549 -18.463 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.712 7.189 -15.359 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.756 5.773 -15.516 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.042 6.729 -18.656 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.070 5.513 -17.375 1.00 0.00 H new ATOM 388 N PHE A 28 -2.114 11.417 -14.364 1.00 0.00 N ATOM 389 CA PHE A 28 -1.283 12.013 -13.325 1.00 0.00 C ATOM 390 C PHE A 28 -1.627 11.434 -11.955 1.00 0.00 C ATOM 391 O PHE A 28 -2.784 11.451 -11.535 1.00 0.00 O ATOM 392 CB PHE A 28 -1.461 13.532 -13.308 1.00 0.00 C ATOM 393 CG PHE A 28 -1.416 14.156 -14.674 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.569 14.283 -15.431 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.220 14.616 -15.200 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.530 14.856 -16.688 1.00 0.00 C ATOM 397 CE2 PHE A 28 -0.174 15.190 -16.457 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.331 15.311 -17.201 1.00 0.00 C ATOM 0 H PHE A 28 -2.976 10.993 -14.023 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.242 11.779 -13.549 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.415 13.773 -12.838 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.680 13.974 -12.689 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.509 13.930 -15.034 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.687 14.525 -14.621 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.436 14.948 -17.269 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.765 15.543 -16.856 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.298 15.761 -18.182 1.00 0.00 H new ATOM 408 N TRP A 29 -0.614 10.923 -11.265 1.00 0.00 N ATOM 409 CA TRP A 29 -0.809 10.338 -9.943 1.00 0.00 C ATOM 410 C TRP A 29 0.116 10.987 -8.919 1.00 0.00 C ATOM 411 O TRP A 29 1.281 11.264 -9.208 1.00 0.00 O ATOM 412 CB TRP A 29 -0.560 8.829 -9.988 1.00 0.00 C ATOM 413 CG TRP A 29 -1.559 8.088 -10.825 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.740 7.547 -10.403 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.462 7.804 -12.225 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.383 6.944 -11.457 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.620 7.089 -12.586 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.511 8.086 -13.209 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -2.850 6.652 -13.888 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -0.740 7.652 -14.500 1.00 0.00 C ATOM 421 CH2 TRP A 29 -1.902 6.943 -14.831 1.00 0.00 C ATOM 0 H TRP A 29 0.350 10.902 -11.598 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.840 10.520 -9.641 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.440 8.644 -10.380 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.583 8.434 -8.973 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.113 7.587 -9.390 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.283 6.466 -11.407 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.387 8.634 -12.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.744 6.103 -14.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.010 7.863 -15.268 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.053 6.620 -15.850 1.00 0.00 H new ATOM 432 N HIS A 30 -0.409 11.228 -7.722 1.00 0.00 N ATOM 433 CA HIS A 30 0.370 11.844 -6.655 1.00 0.00 C ATOM 434 C HIS A 30 1.530 10.944 -6.239 1.00 0.00 C ATOM 435 O HIS A 30 1.454 9.721 -6.364 1.00 0.00 O ATOM 436 CB HIS A 30 -0.521 12.138 -5.448 1.00 0.00 C ATOM 437 CG HIS A 30 -1.302 13.409 -5.575 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.664 13.479 -5.371 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.905 14.665 -5.887 1.00 0.00 C ATOM 440 CE1 HIS A 30 -3.071 14.723 -5.553 1.00 0.00 C ATOM 441 NE2 HIS A 30 -2.023 15.463 -5.867 1.00 0.00 N ATOM 0 H HIS A 30 -1.371 11.006 -7.467 1.00 0.00 H new ATOM 0 HA HIS A 30 0.778 12.782 -7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.214 11.308 -5.308 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.099 12.190 -4.553 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.264 12.693 -5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.103 14.981 -6.110 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.088 15.075 -5.461 1.00 0.00 H new ATOM 449 N ASP A 31 2.601 11.556 -5.746 1.00 0.00 N ATOM 450 CA ASP A 31 3.776 10.809 -5.312 1.00 0.00 C ATOM 451 C ASP A 31 3.389 9.714 -4.322 1.00 0.00 C ATOM 452 O ASP A 31 4.168 8.798 -4.057 1.00 0.00 O ATOM 453 CB ASP A 31 4.798 11.752 -4.674 1.00 0.00 C ATOM 454 CG ASP A 31 4.547 11.963 -3.194 1.00 0.00 C ATOM 455 OD1 ASP A 31 4.911 11.073 -2.397 1.00 0.00 O ATOM 456 OD2 ASP A 31 3.987 13.018 -2.833 1.00 0.00 O ATOM 0 H ASP A 31 2.680 12.567 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 31 4.223 10.340 -6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.800 11.346 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.769 12.714 -5.185 1.00 0.00 H new ATOM 461 N THR A 32 2.180 9.815 -3.778 1.00 0.00 N ATOM 462 CA THR A 32 1.691 8.836 -2.816 1.00 0.00 C ATOM 463 C THR A 32 0.591 7.972 -3.423 1.00 0.00 C ATOM 464 O THR A 32 0.253 6.915 -2.891 1.00 0.00 O ATOM 465 CB THR A 32 1.150 9.518 -1.545 1.00 0.00 C ATOM 466 OG1 THR A 32 0.716 8.528 -0.606 1.00 0.00 O ATOM 467 CG2 THR A 32 -0.006 10.448 -1.880 1.00 0.00 C ATOM 0 H THR A 32 1.522 10.565 -3.988 1.00 0.00 H new ATOM 0 HA THR A 32 2.539 8.206 -2.548 1.00 0.00 H new ATOM 0 HB THR A 32 1.954 10.108 -1.105 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.410 7.732 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.371 10.918 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.335 11.217 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.811 9.876 -2.341 1.00 0.00 H new ATOM 475 N CYS A 33 0.035 8.428 -4.541 1.00 0.00 N ATOM 476 CA CYS A 33 -1.027 7.698 -5.221 1.00 0.00 C ATOM 477 C CYS A 33 -0.448 6.718 -6.238 1.00 0.00 C ATOM 478 O CYS A 33 -0.888 5.572 -6.331 1.00 0.00 O ATOM 479 CB CYS A 33 -1.978 8.672 -5.919 1.00 0.00 C ATOM 480 SG CYS A 33 -3.109 9.545 -4.790 1.00 0.00 S ATOM 0 H CYS A 33 0.303 9.301 -4.995 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.582 7.132 -4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.389 9.408 -6.467 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.567 8.124 -6.654 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.418 10.216 -3.917 1.00 0.00 H new ATOM 485 N PHE A 34 0.541 7.177 -6.997 1.00 0.00 N ATOM 486 CA PHE A 34 1.180 6.342 -8.007 1.00 0.00 C ATOM 487 C PHE A 34 1.782 5.089 -7.377 1.00 0.00 C ATOM 488 O PHE A 34 2.885 5.124 -6.833 1.00 0.00 O ATOM 489 CB PHE A 34 2.268 7.131 -8.738 1.00 0.00 C ATOM 490 CG PHE A 34 2.875 6.387 -9.893 1.00 0.00 C ATOM 491 CD1 PHE A 34 2.073 5.845 -10.884 1.00 0.00 C ATOM 492 CD2 PHE A 34 4.249 6.229 -9.987 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.629 5.159 -11.948 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.810 5.545 -11.048 1.00 0.00 C ATOM 495 CZ PHE A 34 3.999 5.009 -12.029 1.00 0.00 C ATOM 0 H PHE A 34 0.917 8.123 -6.932 1.00 0.00 H new ATOM 0 HA PHE A 34 0.418 6.037 -8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.844 8.067 -9.102 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.055 7.391 -8.030 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.001 5.960 -10.825 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.888 6.645 -9.222 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.993 4.741 -12.714 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.882 5.429 -11.110 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.436 4.473 -12.859 1.00 0.00 H new ATOM 505 N ARG A 35 1.047 3.984 -7.454 1.00 0.00 N ATOM 506 CA ARG A 35 1.507 2.721 -6.889 1.00 0.00 C ATOM 507 C ARG A 35 0.817 1.540 -7.567 1.00 0.00 C ATOM 508 O ARG A 35 -0.189 1.707 -8.256 1.00 0.00 O ATOM 509 CB ARG A 35 1.241 2.684 -5.383 1.00 0.00 C ATOM 510 CG ARG A 35 -0.229 2.539 -5.027 1.00 0.00 C ATOM 511 CD ARG A 35 -0.411 2.072 -3.591 1.00 0.00 C ATOM 512 NE ARG A 35 -1.741 2.389 -3.077 1.00 0.00 N ATOM 513 CZ ARG A 35 -2.065 3.565 -2.551 1.00 0.00 C ATOM 514 NH1 ARG A 35 -1.160 4.531 -2.471 1.00 0.00 N ATOM 515 NH2 ARG A 35 -3.296 3.777 -2.105 1.00 0.00 N ATOM 0 H ARG A 35 0.132 3.938 -7.902 1.00 0.00 H new ATOM 0 HA ARG A 35 2.580 2.643 -7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.796 1.854 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.627 3.598 -4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.734 3.495 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.700 1.827 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.248 0.996 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.343 2.541 -2.959 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.461 1.668 -3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.213 4.372 -2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.411 5.433 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.995 3.037 -2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.544 4.680 -1.701 1.00 0.00 H new ATOM 529 N CYS A 36 1.366 0.347 -7.366 1.00 0.00 N ATOM 530 CA CYS A 36 0.806 -0.862 -7.958 1.00 0.00 C ATOM 531 C CYS A 36 -0.627 -1.086 -7.484 1.00 0.00 C ATOM 532 O CYS A 36 -1.077 -0.468 -6.520 1.00 0.00 O ATOM 533 CB CYS A 36 1.668 -2.075 -7.602 1.00 0.00 C ATOM 534 SG CYS A 36 1.374 -3.531 -8.657 1.00 0.00 S ATOM 0 H CYS A 36 2.198 0.191 -6.797 1.00 0.00 H new ATOM 0 HA CYS A 36 0.796 -0.736 -9.041 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.719 -1.794 -7.673 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.481 -2.348 -6.564 1.00 0.00 H new ATOM 0 HG CYS A 36 2.466 -4.232 -8.744 1.00 0.00 H new ATOM 539 N ALA A 37 -1.339 -1.974 -8.170 1.00 0.00 N ATOM 540 CA ALA A 37 -2.720 -2.282 -7.818 1.00 0.00 C ATOM 541 C ALA A 37 -2.832 -3.668 -7.193 1.00 0.00 C ATOM 542 O ALA A 37 -3.902 -4.070 -6.735 1.00 0.00 O ATOM 543 CB ALA A 37 -3.612 -2.181 -9.047 1.00 0.00 C ATOM 0 H ALA A 37 -0.982 -2.493 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.052 -1.552 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.640 -2.413 -8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.564 -1.169 -9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.271 -2.888 -9.803 1.00 0.00 H new ATOM 549 N LYS A 38 -1.721 -4.396 -7.177 1.00 0.00 N ATOM 550 CA LYS A 38 -1.693 -5.738 -6.608 1.00 0.00 C ATOM 551 C LYS A 38 -0.924 -5.754 -5.290 1.00 0.00 C ATOM 552 O LYS A 38 -1.397 -6.296 -4.291 1.00 0.00 O ATOM 553 CB LYS A 38 -1.056 -6.720 -7.594 1.00 0.00 C ATOM 554 CG LYS A 38 -1.493 -8.160 -7.387 1.00 0.00 C ATOM 555 CD LYS A 38 -1.236 -9.004 -8.624 1.00 0.00 C ATOM 556 CE LYS A 38 -2.373 -8.882 -9.628 1.00 0.00 C ATOM 557 NZ LYS A 38 -3.568 -9.667 -9.210 1.00 0.00 N ATOM 0 H LYS A 38 -0.827 -4.079 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.721 -6.044 -6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.307 -6.416 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.029 -6.662 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.958 -8.585 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.555 -8.187 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.302 -8.692 -9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.115 -10.048 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.648 -7.833 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.034 -9.228 -10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.254 -9.698 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.279 -10.635 -8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.007 -9.216 -8.382 1.00 0.00 H new ATOM 571 N CYS A 39 0.263 -5.156 -5.296 1.00 0.00 N ATOM 572 CA CYS A 39 1.097 -5.100 -4.101 1.00 0.00 C ATOM 573 C CYS A 39 1.026 -3.721 -3.452 1.00 0.00 C ATOM 574 O CYS A 39 1.487 -3.528 -2.326 1.00 0.00 O ATOM 575 CB CYS A 39 2.548 -5.438 -4.451 1.00 0.00 C ATOM 576 SG CYS A 39 3.290 -4.331 -5.693 1.00 0.00 S ATOM 0 H CYS A 39 0.669 -4.703 -6.115 1.00 0.00 H new ATOM 0 HA CYS A 39 0.721 -5.836 -3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.148 -5.401 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.592 -6.463 -4.820 1.00 0.00 H new ATOM 0 HG CYS A 39 2.546 -4.315 -6.759 1.00 0.00 H new ATOM 581 N LEU A 40 0.445 -2.765 -4.169 1.00 0.00 N ATOM 582 CA LEU A 40 0.313 -1.403 -3.664 1.00 0.00 C ATOM 583 C LEU A 40 1.681 -0.799 -3.364 1.00 0.00 C ATOM 584 O LEU A 40 1.889 -0.199 -2.308 1.00 0.00 O ATOM 585 CB LEU A 40 -0.551 -1.388 -2.402 1.00 0.00 C ATOM 586 CG LEU A 40 -2.034 -1.706 -2.600 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.629 -0.821 -3.684 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.223 -3.176 -2.946 1.00 0.00 C ATOM 0 H LEU A 40 0.058 -2.908 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.169 -0.801 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.137 -2.106 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.469 -0.403 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.557 -1.503 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.685 -1.061 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.527 0.225 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.102 -0.992 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.284 -3.384 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.686 -3.405 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.834 -3.793 -2.136 1.00 0.00 H new ATOM 600 N HIS A 41 2.611 -0.958 -4.300 1.00 0.00 N ATOM 601 CA HIS A 41 3.959 -0.425 -4.137 1.00 0.00 C ATOM 602 C HIS A 41 4.181 0.778 -5.049 1.00 0.00 C ATOM 603 O HIS A 41 3.743 0.805 -6.199 1.00 0.00 O ATOM 604 CB HIS A 41 4.998 -1.506 -4.438 1.00 0.00 C ATOM 605 CG HIS A 41 6.405 -0.995 -4.462 1.00 0.00 C ATOM 606 ND1 HIS A 41 7.288 -1.172 -3.417 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.082 -0.310 -5.412 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.446 -0.616 -3.723 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.348 -0.086 -4.929 1.00 0.00 N ATOM 0 H HIS A 41 2.456 -1.451 -5.179 1.00 0.00 H new ATOM 0 HA HIS A 41 4.072 -0.101 -3.102 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.919 -2.293 -3.688 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.769 -1.960 -5.402 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.698 0.003 -6.372 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.324 -0.598 -3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.092 0.409 -5.421 1.00 0.00 H new ATOM 618 N PRO A 42 4.878 1.798 -4.524 1.00 0.00 N ATOM 619 CA PRO A 42 5.173 3.022 -5.274 1.00 0.00 C ATOM 620 C PRO A 42 6.177 2.786 -6.397 1.00 0.00 C ATOM 621 O PRO A 42 7.279 2.287 -6.165 1.00 0.00 O ATOM 622 CB PRO A 42 5.767 3.953 -4.213 1.00 0.00 C ATOM 623 CG PRO A 42 6.329 3.039 -3.179 1.00 0.00 C ATOM 624 CD PRO A 42 5.430 1.833 -3.160 1.00 0.00 C ATOM 0 HA PRO A 42 4.286 3.423 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.540 4.594 -4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.006 4.608 -3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.354 2.758 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.354 3.523 -2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.983 0.923 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.644 1.929 -2.411 1.00 0.00 H new ATOM 632 N LEU A 43 5.790 3.149 -7.616 1.00 0.00 N ATOM 633 CA LEU A 43 6.657 2.977 -8.776 1.00 0.00 C ATOM 634 C LEU A 43 7.391 4.273 -9.104 1.00 0.00 C ATOM 635 O LEU A 43 7.921 4.437 -10.203 1.00 0.00 O ATOM 636 CB LEU A 43 5.839 2.520 -9.985 1.00 0.00 C ATOM 637 CG LEU A 43 5.281 1.098 -9.920 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.328 0.138 -9.378 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.023 1.058 -9.064 1.00 0.00 C ATOM 0 H LEU A 43 4.882 3.564 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 43 7.397 2.213 -8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.006 3.210 -10.116 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.464 2.603 -10.874 1.00 0.00 H new ATOM 0 HG LEU A 43 5.019 0.784 -10.930 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.913 -0.869 -9.339 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.201 0.145 -10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.622 0.448 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.639 0.038 -9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.260 1.392 -8.054 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.268 1.715 -9.496 1.00 0.00 H new ATOM 651 N ALA A 44 7.418 5.191 -8.144 1.00 0.00 N ATOM 652 CA ALA A 44 8.091 6.471 -8.329 1.00 0.00 C ATOM 653 C ALA A 44 9.570 6.273 -8.642 1.00 0.00 C ATOM 654 O ALA A 44 10.153 7.018 -9.429 1.00 0.00 O ATOM 655 CB ALA A 44 7.923 7.340 -7.092 1.00 0.00 C ATOM 0 H ALA A 44 6.982 5.072 -7.230 1.00 0.00 H new ATOM 0 HA ALA A 44 7.631 6.976 -9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.431 8.292 -7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.863 7.519 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.355 6.833 -6.230 1.00 0.00 H new ATOM 661 N ASN A 45 10.173 5.265 -8.019 1.00 0.00 N ATOM 662 CA ASN A 45 11.585 4.971 -8.230 1.00 0.00 C ATOM 663 C ASN A 45 11.765 3.601 -8.877 1.00 0.00 C ATOM 664 O ASN A 45 12.886 3.180 -9.160 1.00 0.00 O ATOM 665 CB ASN A 45 12.343 5.025 -6.902 1.00 0.00 C ATOM 666 CG ASN A 45 11.870 6.157 -6.012 1.00 0.00 C ATOM 667 OD1 ASN A 45 10.971 5.980 -5.189 1.00 0.00 O ATOM 668 ND2 ASN A 45 12.474 7.328 -6.172 1.00 0.00 N ATOM 0 H ASN A 45 9.705 4.638 -7.364 1.00 0.00 H new ATOM 0 HA ASN A 45 11.991 5.726 -8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.219 4.078 -6.377 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.408 5.143 -7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.198 8.127 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.214 7.429 -6.866 1.00 0.00 H new ATOM 675 N GLU A 46 10.652 2.911 -9.107 1.00 0.00 N ATOM 676 CA GLU A 46 10.687 1.588 -9.720 1.00 0.00 C ATOM 677 C GLU A 46 9.898 1.572 -11.025 1.00 0.00 C ATOM 678 O GLU A 46 8.893 2.270 -11.166 1.00 0.00 O ATOM 679 CB GLU A 46 10.124 0.541 -8.757 1.00 0.00 C ATOM 680 CG GLU A 46 9.764 -0.773 -9.430 1.00 0.00 C ATOM 681 CD GLU A 46 10.961 -1.689 -9.599 1.00 0.00 C ATOM 682 OE1 GLU A 46 11.828 -1.704 -8.701 1.00 0.00 O ATOM 683 OE2 GLU A 46 11.028 -2.392 -10.629 1.00 0.00 O ATOM 0 H GLU A 46 9.716 3.246 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 46 11.726 1.345 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.857 0.349 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.236 0.946 -8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.002 -1.282 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.327 -0.569 -10.407 1.00 0.00 H new ATOM 690 N THR A 47 10.359 0.770 -11.980 1.00 0.00 N ATOM 691 CA THR A 47 9.699 0.663 -13.275 1.00 0.00 C ATOM 692 C THR A 47 8.253 0.206 -13.118 1.00 0.00 C ATOM 693 O THR A 47 7.928 -0.560 -12.211 1.00 0.00 O ATOM 694 CB THR A 47 10.438 -0.319 -14.203 1.00 0.00 C ATOM 695 OG1 THR A 47 11.853 -0.160 -14.057 1.00 0.00 O ATOM 696 CG2 THR A 47 10.044 -0.091 -15.655 1.00 0.00 C ATOM 0 H THR A 47 11.188 0.184 -11.880 1.00 0.00 H new ATOM 0 HA THR A 47 9.717 1.657 -13.722 1.00 0.00 H new ATOM 0 HB THR A 47 10.156 -1.333 -13.921 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.316 -0.789 -14.649 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.578 -0.796 -16.292 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.970 -0.241 -15.769 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.301 0.928 -15.946 1.00 0.00 H new ATOM 704 N PHE A 48 7.388 0.681 -14.008 1.00 0.00 N ATOM 705 CA PHE A 48 5.975 0.320 -13.968 1.00 0.00 C ATOM 706 C PHE A 48 5.504 -0.186 -15.328 1.00 0.00 C ATOM 707 O PHE A 48 6.168 0.022 -16.344 1.00 0.00 O ATOM 708 CB PHE A 48 5.132 1.523 -13.540 1.00 0.00 C ATOM 709 CG PHE A 48 5.248 2.698 -14.469 1.00 0.00 C ATOM 710 CD1 PHE A 48 6.300 3.591 -14.351 1.00 0.00 C ATOM 711 CD2 PHE A 48 4.303 2.909 -15.461 1.00 0.00 C ATOM 712 CE1 PHE A 48 6.410 4.672 -15.205 1.00 0.00 C ATOM 713 CE2 PHE A 48 4.407 3.988 -16.317 1.00 0.00 C ATOM 714 CZ PHE A 48 5.461 4.872 -16.189 1.00 0.00 C ATOM 0 H PHE A 48 7.640 1.316 -14.765 1.00 0.00 H new ATOM 0 HA PHE A 48 5.851 -0.481 -13.239 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.087 1.220 -13.479 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.434 1.830 -12.539 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.043 3.441 -13.582 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.476 2.222 -15.566 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.237 5.360 -15.103 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.664 4.141 -17.086 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.543 5.717 -16.856 1.00 0.00 H new ATOM 724 N VAL A 49 4.355 -0.853 -15.339 1.00 0.00 N ATOM 725 CA VAL A 49 3.794 -1.390 -16.573 1.00 0.00 C ATOM 726 C VAL A 49 2.311 -1.056 -16.694 1.00 0.00 C ATOM 727 O VAL A 49 1.547 -1.224 -15.744 1.00 0.00 O ATOM 728 CB VAL A 49 3.973 -2.917 -16.654 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.301 -3.469 -17.902 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.450 -3.282 -16.628 1.00 0.00 C ATOM 0 H VAL A 49 3.794 -1.035 -14.507 1.00 0.00 H new ATOM 0 HA VAL A 49 4.337 -0.924 -17.396 1.00 0.00 H new ATOM 0 HB VAL A 49 3.495 -3.368 -15.784 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.438 -4.550 -17.942 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.236 -3.239 -17.873 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.747 -3.014 -18.787 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.558 -4.365 -16.686 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.954 -2.821 -17.478 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.898 -2.922 -15.702 1.00 0.00 H new ATOM 740 N ALA A 50 1.910 -0.583 -17.869 1.00 0.00 N ATOM 741 CA ALA A 50 0.518 -0.227 -18.115 1.00 0.00 C ATOM 742 C ALA A 50 -0.172 -1.279 -18.977 1.00 0.00 C ATOM 743 O ALA A 50 0.103 -1.396 -20.171 1.00 0.00 O ATOM 744 CB ALA A 50 0.431 1.140 -18.777 1.00 0.00 C ATOM 0 H ALA A 50 2.530 -0.437 -18.666 1.00 0.00 H new ATOM 0 HA ALA A 50 0.004 -0.186 -17.155 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.614 1.392 -18.955 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.879 1.889 -18.125 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.966 1.119 -19.727 1.00 0.00 H new ATOM 750 N LYS A 51 -1.071 -2.043 -18.364 1.00 0.00 N ATOM 751 CA LYS A 51 -1.802 -3.085 -19.075 1.00 0.00 C ATOM 752 C LYS A 51 -3.252 -3.148 -18.606 1.00 0.00 C ATOM 753 O LYS A 51 -3.541 -2.958 -17.425 1.00 0.00 O ATOM 754 CB LYS A 51 -1.128 -4.443 -18.866 1.00 0.00 C ATOM 755 CG LYS A 51 0.068 -4.674 -19.774 1.00 0.00 C ATOM 756 CD LYS A 51 0.562 -6.108 -19.691 1.00 0.00 C ATOM 757 CE LYS A 51 1.541 -6.295 -18.542 1.00 0.00 C ATOM 758 NZ LYS A 51 2.086 -7.681 -18.498 1.00 0.00 N ATOM 0 H LYS A 51 -1.310 -1.960 -17.376 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.792 -2.841 -20.137 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.806 -4.524 -17.828 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.860 -5.233 -19.035 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.205 -4.441 -20.803 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.873 -3.994 -19.496 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.287 -6.779 -19.560 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.044 -6.383 -20.629 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.362 -5.585 -18.645 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.042 -6.071 -17.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.916 -8.091 -17.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.615 -8.262 -19.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.109 -7.658 -18.685 1.00 0.00 H new ATOM 772 N ASP A 52 -4.159 -3.418 -19.538 1.00 0.00 N ATOM 773 CA ASP A 52 -5.579 -3.509 -19.220 1.00 0.00 C ATOM 774 C ASP A 52 -6.042 -2.279 -18.445 1.00 0.00 C ATOM 775 O ASP A 52 -6.770 -2.392 -17.459 1.00 0.00 O ATOM 776 CB ASP A 52 -5.861 -4.775 -18.408 1.00 0.00 C ATOM 777 CG ASP A 52 -7.260 -5.312 -18.641 1.00 0.00 C ATOM 778 OD1 ASP A 52 -7.546 -5.749 -19.775 1.00 0.00 O ATOM 779 OD2 ASP A 52 -8.069 -5.295 -17.689 1.00 0.00 O ATOM 0 H ASP A 52 -3.936 -3.578 -20.520 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.134 -3.556 -20.157 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.132 -5.542 -18.671 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.729 -4.560 -17.348 1.00 0.00 H new ATOM 784 N ASN A 53 -5.615 -1.105 -18.898 1.00 0.00 N ATOM 785 CA ASN A 53 -5.984 0.146 -18.247 1.00 0.00 C ATOM 786 C ASN A 53 -5.762 0.061 -16.740 1.00 0.00 C ATOM 787 O ASN A 53 -6.526 0.625 -15.955 1.00 0.00 O ATOM 788 CB ASN A 53 -7.447 0.485 -18.539 1.00 0.00 C ATOM 789 CG ASN A 53 -7.628 1.144 -19.893 1.00 0.00 C ATOM 790 OD1 ASN A 53 -7.432 2.350 -20.040 1.00 0.00 O ATOM 791 ND2 ASN A 53 -8.005 0.352 -20.891 1.00 0.00 N ATOM 0 H ASN A 53 -5.013 -0.994 -19.714 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.348 0.936 -18.647 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.043 -0.426 -18.499 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.826 1.148 -17.761 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.143 0.739 -21.825 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.156 -0.643 -20.723 1.00 0.00 H new ATOM 798 N LYS A 54 -4.711 -0.647 -16.341 1.00 0.00 N ATOM 799 CA LYS A 54 -4.386 -0.806 -14.929 1.00 0.00 C ATOM 800 C LYS A 54 -2.878 -0.742 -14.707 1.00 0.00 C ATOM 801 O LYS A 54 -2.101 -1.264 -15.509 1.00 0.00 O ATOM 802 CB LYS A 54 -4.933 -2.135 -14.404 1.00 0.00 C ATOM 803 CG LYS A 54 -6.447 -2.167 -14.291 1.00 0.00 C ATOM 804 CD LYS A 54 -6.942 -3.519 -13.806 1.00 0.00 C ATOM 805 CE LYS A 54 -8.461 -3.562 -13.729 1.00 0.00 C ATOM 806 NZ LYS A 54 -9.088 -3.455 -15.075 1.00 0.00 N ATOM 0 H LYS A 54 -4.069 -1.120 -16.977 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.852 0.013 -14.381 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.609 -2.938 -15.066 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.500 -2.335 -13.424 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.778 -1.389 -13.603 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.890 -1.943 -15.261 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.589 -4.300 -14.479 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.521 -3.731 -12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.774 -4.492 -13.255 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.816 -2.748 -13.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.099 -3.690 -15.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.981 -2.484 -15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.622 -4.117 -15.729 1.00 0.00 H new ATOM 820 N ILE A 55 -2.471 -0.102 -13.616 1.00 0.00 N ATOM 821 CA ILE A 55 -1.056 0.026 -13.290 1.00 0.00 C ATOM 822 C ILE A 55 -0.562 -1.182 -12.500 1.00 0.00 C ATOM 823 O ILE A 55 -1.193 -1.603 -11.530 1.00 0.00 O ATOM 824 CB ILE A 55 -0.780 1.304 -12.477 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.301 2.533 -13.225 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.709 1.441 -12.194 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.586 2.792 -14.533 1.00 0.00 C ATOM 0 H ILE A 55 -3.101 0.336 -12.943 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.518 0.083 -14.236 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.306 1.232 -11.525 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.365 2.405 -13.421 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.198 3.409 -12.584 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.888 2.349 -11.619 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.052 0.577 -11.625 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.255 1.495 -13.136 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.007 3.678 -15.009 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.475 2.952 -14.342 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.710 1.933 -15.192 1.00 0.00 H new ATOM 839 N LEU A 56 0.570 -1.734 -12.921 1.00 0.00 N ATOM 840 CA LEU A 56 1.151 -2.893 -12.253 1.00 0.00 C ATOM 841 C LEU A 56 2.674 -2.863 -12.335 1.00 0.00 C ATOM 842 O LEU A 56 3.246 -2.203 -13.203 1.00 0.00 O ATOM 843 CB LEU A 56 0.620 -4.185 -12.876 1.00 0.00 C ATOM 844 CG LEU A 56 -0.855 -4.497 -12.622 1.00 0.00 C ATOM 845 CD1 LEU A 56 -1.317 -5.648 -13.502 1.00 0.00 C ATOM 846 CD2 LEU A 56 -1.085 -4.821 -11.153 1.00 0.00 C ATOM 0 H LEU A 56 1.104 -1.398 -13.722 1.00 0.00 H new ATOM 0 HA LEU A 56 0.862 -2.858 -11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.780 -4.138 -13.953 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.216 -5.017 -12.501 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.442 -3.615 -12.876 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.369 -5.855 -13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.188 -5.379 -14.550 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.725 -6.536 -13.280 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.140 -5.041 -10.990 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.486 -5.688 -10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.793 -3.967 -10.542 1.00 0.00 H new ATOM 858 N CYS A 57 3.325 -3.583 -11.427 1.00 0.00 N ATOM 859 CA CYS A 57 4.781 -3.640 -11.398 1.00 0.00 C ATOM 860 C CYS A 57 5.286 -4.945 -12.007 1.00 0.00 C ATOM 861 O CYS A 57 4.609 -5.971 -11.952 1.00 0.00 O ATOM 862 CB CYS A 57 5.288 -3.506 -9.960 1.00 0.00 C ATOM 863 SG CYS A 57 5.061 -5.003 -8.948 1.00 0.00 S ATOM 0 H CYS A 57 2.867 -4.135 -10.702 1.00 0.00 H new ATOM 0 HA CYS A 57 5.165 -2.810 -11.991 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.348 -3.253 -9.982 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.772 -2.675 -9.480 1.00 0.00 H new ATOM 0 HG CYS A 57 4.447 -4.692 -7.845 1.00 0.00 H new ATOM 868 N ASN A 58 6.481 -4.898 -12.586 1.00 0.00 N ATOM 869 CA ASN A 58 7.078 -6.075 -13.206 1.00 0.00 C ATOM 870 C ASN A 58 7.000 -7.280 -12.272 1.00 0.00 C ATOM 871 O ASN A 58 6.608 -8.373 -12.682 1.00 0.00 O ATOM 872 CB ASN A 58 8.535 -5.798 -13.579 1.00 0.00 C ATOM 873 CG ASN A 58 9.233 -4.913 -12.564 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.611 -5.367 -11.484 1.00 0.00 O ATOM 875 ND2 ASN A 58 9.408 -3.643 -12.909 1.00 0.00 N ATOM 0 H ASN A 58 7.055 -4.057 -12.639 1.00 0.00 H new ATOM 0 HA ASN A 58 6.516 -6.302 -14.112 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.072 -6.743 -13.663 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.572 -5.322 -14.559 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.872 -3.000 -12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.078 -3.311 -13.815 1.00 0.00 H new ATOM 882 N LYS A 59 7.375 -7.071 -11.015 1.00 0.00 N ATOM 883 CA LYS A 59 7.346 -8.138 -10.021 1.00 0.00 C ATOM 884 C LYS A 59 6.016 -8.883 -10.060 1.00 0.00 C ATOM 885 O LYS A 59 5.967 -10.098 -9.864 1.00 0.00 O ATOM 886 CB LYS A 59 7.581 -7.565 -8.621 1.00 0.00 C ATOM 887 CG LYS A 59 9.050 -7.399 -8.271 1.00 0.00 C ATOM 888 CD LYS A 59 9.229 -6.665 -6.953 1.00 0.00 C ATOM 889 CE LYS A 59 10.597 -6.933 -6.347 1.00 0.00 C ATOM 890 NZ LYS A 59 11.014 -5.848 -5.415 1.00 0.00 N ATOM 0 H LYS A 59 7.703 -6.173 -10.660 1.00 0.00 H new ATOM 0 HA LYS A 59 8.143 -8.842 -10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.086 -6.597 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.113 -8.220 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.524 -8.379 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.555 -6.850 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.104 -5.594 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.453 -6.976 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.578 -7.883 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.334 -7.030 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.952 -6.068 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.057 -4.946 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.324 -5.772 -4.640 1.00 0.00 H new ATOM 904 N CYS A 60 4.939 -8.148 -10.316 1.00 0.00 N ATOM 905 CA CYS A 60 3.607 -8.738 -10.382 1.00 0.00 C ATOM 906 C CYS A 60 3.337 -9.317 -11.768 1.00 0.00 C ATOM 907 O CYS A 60 3.003 -10.494 -11.908 1.00 0.00 O ATOM 908 CB CYS A 60 2.545 -7.692 -10.038 1.00 0.00 C ATOM 909 SG CYS A 60 2.460 -7.273 -8.267 1.00 0.00 S ATOM 0 H CYS A 60 4.963 -7.142 -10.481 1.00 0.00 H new ATOM 0 HA CYS A 60 3.559 -9.547 -9.654 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.747 -6.784 -10.606 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.571 -8.059 -10.361 1.00 0.00 H new ATOM 0 HG CYS A 60 3.345 -6.361 -7.994 1.00 0.00 H new ATOM 914 N THR A 61 3.484 -8.481 -12.791 1.00 0.00 N ATOM 915 CA THR A 61 3.256 -8.908 -14.166 1.00 0.00 C ATOM 916 C THR A 61 3.847 -10.290 -14.418 1.00 0.00 C ATOM 917 O THR A 61 3.330 -11.061 -15.228 1.00 0.00 O ATOM 918 CB THR A 61 3.862 -7.912 -15.172 1.00 0.00 C ATOM 919 OG1 THR A 61 5.290 -7.913 -15.062 1.00 0.00 O ATOM 920 CG2 THR A 61 3.331 -6.507 -14.929 1.00 0.00 C ATOM 0 H THR A 61 3.760 -7.504 -12.693 1.00 0.00 H new ATOM 0 HA THR A 61 2.176 -8.946 -14.310 1.00 0.00 H new ATOM 0 HB THR A 61 3.575 -8.223 -16.176 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.548 -8.157 -14.149 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.773 -5.821 -15.651 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.247 -6.503 -15.041 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.592 -6.189 -13.920 1.00 0.00 H new ATOM 1004 N PRO A 67 -6.202 -14.719 -10.473 1.00 0.00 N ATOM 1005 CA PRO A 67 -7.283 -15.228 -11.322 1.00 0.00 C ATOM 1006 C PRO A 67 -7.253 -14.625 -12.722 1.00 0.00 C ATOM 1007 O PRO A 67 -6.508 -13.681 -12.988 1.00 0.00 O ATOM 1008 CB PRO A 67 -8.550 -14.794 -10.580 1.00 0.00 C ATOM 1009 CG PRO A 67 -8.136 -13.604 -9.786 1.00 0.00 C ATOM 1010 CD PRO A 67 -6.702 -13.841 -9.401 1.00 0.00 C ATOM 0 HA PRO A 67 -7.209 -16.305 -11.475 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.351 -14.546 -11.276 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.923 -15.590 -9.935 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.237 -12.690 -10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.763 -13.487 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.140 -12.908 -9.350 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.622 -14.315 -8.423 1.00 0.00 H new ATOM 1018 N LYS A 68 -8.068 -15.175 -13.616 1.00 0.00 N ATOM 1019 CA LYS A 68 -8.137 -14.692 -14.989 1.00 0.00 C ATOM 1020 C LYS A 68 -9.583 -14.448 -15.409 1.00 0.00 C ATOM 1021 O LYS A 68 -10.516 -14.947 -14.778 1.00 0.00 O ATOM 1022 CB LYS A 68 -7.481 -15.696 -15.939 1.00 0.00 C ATOM 1023 CG LYS A 68 -8.191 -17.039 -15.989 1.00 0.00 C ATOM 1024 CD LYS A 68 -7.221 -18.172 -16.279 1.00 0.00 C ATOM 1025 CE LYS A 68 -7.939 -19.508 -16.380 1.00 0.00 C ATOM 1026 NZ LYS A 68 -8.041 -20.185 -15.058 1.00 0.00 N ATOM 0 H LYS A 68 -8.691 -15.957 -13.413 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.598 -13.746 -15.042 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.455 -15.271 -16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.447 -15.852 -15.632 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.692 -17.222 -15.039 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.964 -17.015 -16.757 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.693 -17.970 -17.211 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.470 -18.220 -15.491 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.938 -19.353 -16.787 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.407 -20.154 -17.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.537 -21.092 -15.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.087 -20.356 -14.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.571 -19.580 -14.398 1.00 0.00 H new ATOM 1040 N CYS A 69 -9.763 -13.680 -16.478 1.00 0.00 N ATOM 1041 CA CYS A 69 -11.096 -13.372 -16.983 1.00 0.00 C ATOM 1042 C CYS A 69 -11.414 -14.203 -18.222 1.00 0.00 C ATOM 1043 O CYS A 69 -10.523 -14.798 -18.830 1.00 0.00 O ATOM 1044 CB CYS A 69 -11.207 -11.882 -17.313 1.00 0.00 C ATOM 1045 SG CYS A 69 -12.897 -11.333 -17.714 1.00 0.00 S ATOM 0 H CYS A 69 -9.002 -13.259 -17.012 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.818 -13.620 -16.205 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.841 -11.305 -16.464 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.554 -11.658 -18.156 1.00 0.00 H new ATOM 0 HG CYS A 69 -13.013 -10.064 -17.458 1.00 0.00 H new ATOM 1050 N LYS A 70 -12.690 -14.240 -18.591 1.00 0.00 N ATOM 1051 CA LYS A 70 -13.127 -14.997 -19.759 1.00 0.00 C ATOM 1052 C LYS A 70 -13.608 -14.062 -20.864 1.00 0.00 C ATOM 1053 O LYS A 70 -13.596 -14.419 -22.041 1.00 0.00 O ATOM 1054 CB LYS A 70 -14.247 -15.966 -19.373 1.00 0.00 C ATOM 1055 CG LYS A 70 -14.444 -17.094 -20.371 1.00 0.00 C ATOM 1056 CD LYS A 70 -13.549 -18.281 -20.055 1.00 0.00 C ATOM 1057 CE LYS A 70 -13.478 -19.252 -21.224 1.00 0.00 C ATOM 1058 NZ LYS A 70 -14.670 -20.143 -21.278 1.00 0.00 N ATOM 0 H LYS A 70 -13.440 -13.755 -18.098 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.275 -15.565 -20.133 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.027 -16.392 -18.394 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.180 -15.410 -19.276 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.487 -17.411 -20.362 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.229 -16.733 -21.377 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.547 -17.928 -19.812 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.927 -18.798 -19.173 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.400 -18.693 -22.156 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.576 -19.857 -21.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.584 -20.790 -22.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.731 -20.695 -20.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.529 -19.567 -21.385 1.00 0.00 H new ATOM 1072 N GLY A 71 -14.030 -12.862 -20.476 1.00 0.00 N ATOM 1073 CA GLY A 71 -14.508 -11.894 -21.447 1.00 0.00 C ATOM 1074 C GLY A 71 -13.377 -11.228 -22.206 1.00 0.00 C ATOM 1075 O GLY A 71 -13.494 -10.964 -23.403 1.00 0.00 O ATOM 0 H GLY A 71 -14.049 -12.543 -19.507 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.173 -12.391 -22.154 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.097 -11.132 -20.936 1.00 0.00 H new ATOM 1079 N CYS A 72 -12.279 -10.954 -21.509 1.00 0.00 N ATOM 1080 CA CYS A 72 -11.123 -10.312 -22.123 1.00 0.00 C ATOM 1081 C CYS A 72 -9.889 -11.203 -22.021 1.00 0.00 C ATOM 1082 O CYS A 72 -8.955 -11.083 -22.815 1.00 0.00 O ATOM 1083 CB CYS A 72 -10.849 -8.963 -21.457 1.00 0.00 C ATOM 1084 SG CYS A 72 -10.676 -9.050 -19.646 1.00 0.00 S ATOM 0 H CYS A 72 -12.166 -11.167 -20.518 1.00 0.00 H new ATOM 0 HA CYS A 72 -11.346 -10.150 -23.178 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.937 -8.540 -21.879 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -11.661 -8.278 -21.701 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.566 -9.865 -19.164 1.00 0.00 H new ATOM 1089 N PHE A 73 -9.891 -12.098 -21.039 1.00 0.00 N ATOM 1090 CA PHE A 73 -8.772 -13.009 -20.832 1.00 0.00 C ATOM 1091 C PHE A 73 -7.558 -12.264 -20.284 1.00 0.00 C ATOM 1092 O PHE A 73 -6.442 -12.424 -20.777 1.00 0.00 O ATOM 1093 CB PHE A 73 -8.406 -13.708 -22.143 1.00 0.00 C ATOM 1094 CG PHE A 73 -7.798 -15.068 -21.948 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -8.448 -16.030 -21.192 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -6.577 -15.384 -22.521 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -7.890 -17.282 -21.011 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -6.014 -16.634 -22.344 1.00 0.00 C ATOM 1099 CZ PHE A 73 -6.673 -17.584 -21.588 1.00 0.00 C ATOM 0 H PHE A 73 -10.656 -12.212 -20.374 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.077 -13.758 -20.102 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.302 -13.804 -22.757 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.706 -13.082 -22.696 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.401 -15.799 -20.739 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.059 -14.645 -23.113 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.406 -18.023 -20.419 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.061 -16.867 -22.796 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.236 -18.562 -21.449 1.00 0.00 H new ATOM 1109 N LYS A 74 -7.785 -11.448 -19.260 1.00 0.00 N ATOM 1110 CA LYS A 74 -6.712 -10.677 -18.643 1.00 0.00 C ATOM 1111 C LYS A 74 -6.648 -10.939 -17.142 1.00 0.00 C ATOM 1112 O LYS A 74 -7.653 -11.279 -16.518 1.00 0.00 O ATOM 1113 CB LYS A 74 -6.916 -9.183 -18.902 1.00 0.00 C ATOM 1114 CG LYS A 74 -6.500 -8.745 -20.296 1.00 0.00 C ATOM 1115 CD LYS A 74 -5.000 -8.520 -20.385 1.00 0.00 C ATOM 1116 CE LYS A 74 -4.485 -8.748 -21.798 1.00 0.00 C ATOM 1117 NZ LYS A 74 -3.011 -8.559 -21.889 1.00 0.00 N ATOM 0 H LYS A 74 -8.703 -11.304 -18.840 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.769 -10.992 -19.090 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.967 -8.937 -18.751 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.347 -8.614 -18.167 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.799 -9.502 -21.021 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.023 -7.826 -20.561 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.764 -7.503 -20.070 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.489 -9.193 -19.697 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.742 -9.757 -22.120 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.982 -8.059 -22.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.700 -8.723 -22.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.767 -7.588 -21.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.535 -9.233 -21.256 1.00 0.00 H new ATOM 1131 N ALA A 75 -5.460 -10.778 -16.568 1.00 0.00 N ATOM 1132 CA ALA A 75 -5.266 -10.994 -15.139 1.00 0.00 C ATOM 1133 C ALA A 75 -6.143 -10.055 -14.318 1.00 0.00 C ATOM 1134 O ALA A 75 -6.031 -8.833 -14.427 1.00 0.00 O ATOM 1135 CB ALA A 75 -3.802 -10.809 -14.772 1.00 0.00 C ATOM 0 H ALA A 75 -4.617 -10.499 -17.071 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.560 -12.018 -14.908 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.671 -10.973 -13.702 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.195 -11.525 -15.326 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.489 -9.796 -15.024 1.00 0.00 H new ATOM 1141 N ILE A 76 -7.015 -10.632 -13.498 1.00 0.00 N ATOM 1142 CA ILE A 76 -7.910 -9.845 -12.659 1.00 0.00 C ATOM 1143 C ILE A 76 -7.241 -9.473 -11.340 1.00 0.00 C ATOM 1144 O ILE A 76 -6.527 -10.279 -10.744 1.00 0.00 O ATOM 1145 CB ILE A 76 -9.216 -10.605 -12.362 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -9.869 -11.070 -13.666 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -10.172 -9.726 -11.569 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -11.032 -12.014 -13.456 1.00 0.00 C ATOM 0 H ILE A 76 -7.121 -11.641 -13.397 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.145 -8.937 -13.214 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.979 -11.484 -11.762 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.215 -10.198 -14.221 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.118 -11.563 -14.283 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.090 -10.277 -11.367 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.706 -9.440 -10.626 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.406 -8.831 -12.145 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.446 -12.302 -14.422 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.688 -12.904 -12.929 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.802 -11.517 -12.865 1.00 0.00 H new ATOM 1160 N VAL A 77 -7.479 -8.246 -10.888 1.00 0.00 N ATOM 1161 CA VAL A 77 -6.902 -7.766 -9.638 1.00 0.00 C ATOM 1162 C VAL A 77 -7.896 -7.895 -8.489 1.00 0.00 C ATOM 1163 O VAL A 77 -9.094 -7.673 -8.664 1.00 0.00 O ATOM 1164 CB VAL A 77 -6.454 -6.297 -9.753 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -5.692 -5.872 -8.507 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -5.609 -6.094 -11.001 1.00 0.00 C ATOM 0 H VAL A 77 -8.068 -7.566 -11.369 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.031 -8.388 -9.433 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.342 -5.670 -9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.383 -4.831 -8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.335 -5.978 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.811 -6.502 -8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.301 -5.050 -11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.726 -6.730 -10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.194 -6.356 -11.883 1.00 0.00 H new ATOM 1176 N ALA A 78 -7.390 -8.254 -7.314 1.00 0.00 N ATOM 1177 CA ALA A 78 -8.233 -8.410 -6.135 1.00 0.00 C ATOM 1178 C ALA A 78 -8.984 -7.120 -5.823 1.00 0.00 C ATOM 1179 O ALA A 78 -10.170 -7.144 -5.498 1.00 0.00 O ATOM 1180 CB ALA A 78 -7.395 -8.838 -4.939 1.00 0.00 C ATOM 0 H ALA A 78 -6.401 -8.442 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.969 -9.186 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.038 -8.951 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.909 -9.789 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.637 -8.081 -4.736 1.00 0.00 H new ATOM 1186 N GLY A 79 -8.284 -5.994 -5.923 1.00 0.00 N ATOM 1187 CA GLY A 79 -8.901 -4.710 -5.646 1.00 0.00 C ATOM 1188 C GLY A 79 -9.610 -4.135 -6.857 1.00 0.00 C ATOM 1189 O GLY A 79 -9.532 -2.935 -7.119 1.00 0.00 O ATOM 0 H GLY A 79 -7.301 -5.948 -6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.615 -4.822 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.138 -4.009 -5.308 1.00 0.00 H new ATOM 1193 N ASP A 80 -10.303 -4.994 -7.597 1.00 0.00 N ATOM 1194 CA ASP A 80 -11.029 -4.565 -8.787 1.00 0.00 C ATOM 1195 C ASP A 80 -12.351 -5.315 -8.917 1.00 0.00 C ATOM 1196 O ASP A 80 -12.412 -6.524 -8.697 1.00 0.00 O ATOM 1197 CB ASP A 80 -10.177 -4.787 -10.038 1.00 0.00 C ATOM 1198 CG ASP A 80 -9.306 -3.590 -10.365 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -9.717 -2.453 -10.051 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -8.213 -3.789 -10.935 1.00 0.00 O ATOM 0 H ASP A 80 -10.377 -5.991 -7.394 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.244 -3.501 -8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.545 -5.663 -9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.829 -5.000 -10.885 1.00 0.00 H new ATOM 1205 N GLN A 81 -13.405 -4.589 -9.275 1.00 0.00 N ATOM 1206 CA GLN A 81 -14.725 -5.186 -9.432 1.00 0.00 C ATOM 1207 C GLN A 81 -14.672 -6.384 -10.375 1.00 0.00 C ATOM 1208 O GLN A 81 -14.181 -6.280 -11.498 1.00 0.00 O ATOM 1209 CB GLN A 81 -15.718 -4.149 -9.961 1.00 0.00 C ATOM 1210 CG GLN A 81 -15.769 -2.877 -9.130 1.00 0.00 C ATOM 1211 CD GLN A 81 -16.255 -1.680 -9.924 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -16.078 -1.615 -11.141 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -16.872 -0.726 -9.238 1.00 0.00 N ATOM 0 H GLN A 81 -13.370 -3.587 -9.462 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.058 -5.531 -8.453 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.451 -3.893 -10.986 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -16.713 -4.593 -9.992 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -16.427 -3.032 -8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.776 -2.666 -8.734 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.997 -0.822 -8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.222 0.103 -9.719 1.00 0.00 H new ATOM 1222 N ASN A 82 -15.182 -7.520 -9.910 1.00 0.00 N ATOM 1223 CA ASN A 82 -15.192 -8.738 -10.712 1.00 0.00 C ATOM 1224 C ASN A 82 -16.473 -9.533 -10.478 1.00 0.00 C ATOM 1225 O ASN A 82 -17.250 -9.226 -9.574 1.00 0.00 O ATOM 1226 CB ASN A 82 -13.974 -9.602 -10.380 1.00 0.00 C ATOM 1227 CG ASN A 82 -13.622 -9.563 -8.905 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -14.452 -9.873 -8.050 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -12.388 -9.181 -8.601 1.00 0.00 N ATOM 0 H ASN A 82 -15.594 -7.622 -8.982 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.150 -8.452 -11.763 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.171 -10.632 -10.677 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.119 -9.260 -10.964 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.094 -9.135 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.733 -8.933 -9.343 1.00 0.00 H new ATOM 1236 N VAL A 83 -16.685 -10.557 -11.298 1.00 0.00 N ATOM 1237 CA VAL A 83 -17.870 -11.398 -11.180 1.00 0.00 C ATOM 1238 C VAL A 83 -17.532 -12.863 -11.436 1.00 0.00 C ATOM 1239 O VAL A 83 -17.122 -13.232 -12.535 1.00 0.00 O ATOM 1240 CB VAL A 83 -18.971 -10.958 -12.162 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -20.280 -11.668 -11.851 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -19.151 -9.448 -12.118 1.00 0.00 C ATOM 0 H VAL A 83 -16.051 -10.824 -12.051 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.237 -11.285 -10.160 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.666 -11.236 -13.171 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -21.046 -11.344 -12.556 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.139 -12.745 -11.938 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -20.594 -11.424 -10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -19.933 -9.154 -12.818 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.434 -9.145 -11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.215 -8.962 -12.394 1.00 0.00 H new ATOM 1252 N GLU A 84 -17.708 -13.692 -10.412 1.00 0.00 N ATOM 1253 CA GLU A 84 -17.421 -15.118 -10.527 1.00 0.00 C ATOM 1254 C GLU A 84 -18.712 -15.931 -10.568 1.00 0.00 C ATOM 1255 O GLU A 84 -19.649 -15.666 -9.814 1.00 0.00 O ATOM 1256 CB GLU A 84 -16.551 -15.581 -9.357 1.00 0.00 C ATOM 1257 CG GLU A 84 -15.766 -16.849 -9.647 1.00 0.00 C ATOM 1258 CD GLU A 84 -15.448 -17.639 -8.393 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -14.891 -17.047 -7.445 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -15.756 -18.849 -8.359 1.00 0.00 O ATOM 0 H GLU A 84 -18.047 -13.402 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.880 -15.280 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.855 -14.784 -9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.186 -15.748 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.337 -17.476 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.836 -16.588 -10.153 1.00 0.00 H new ATOM 1267 N TYR A 85 -18.753 -16.920 -11.453 1.00 0.00 N ATOM 1268 CA TYR A 85 -19.929 -17.771 -11.595 1.00 0.00 C ATOM 1269 C TYR A 85 -19.546 -19.246 -11.524 1.00 0.00 C ATOM 1270 O TYR A 85 -19.689 -19.888 -10.483 1.00 0.00 O ATOM 1271 CB TYR A 85 -20.638 -17.479 -12.918 1.00 0.00 C ATOM 1272 CG TYR A 85 -21.741 -18.461 -13.243 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -22.507 -19.033 -12.235 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -22.017 -18.816 -14.558 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -23.516 -19.931 -12.527 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -23.025 -19.712 -14.859 1.00 0.00 C ATOM 1277 CZ TYR A 85 -23.771 -20.267 -13.840 1.00 0.00 C ATOM 1278 OH TYR A 85 -24.775 -21.160 -14.136 1.00 0.00 O ATOM 0 H TYR A 85 -17.986 -17.153 -12.083 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.607 -17.551 -10.771 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -21.057 -16.473 -12.882 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -19.904 -17.490 -13.724 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -22.311 -18.771 -11.206 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -21.434 -18.384 -15.358 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -24.102 -20.367 -11.731 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -23.228 -19.976 -15.886 1.00 0.00 H new ATOM 0 HH TYR A 85 -24.824 -21.287 -15.107 1.00 0.00 H new ATOM 1288 N LYS A 86 -19.058 -19.778 -12.640 1.00 0.00 N ATOM 1289 CA LYS A 86 -18.651 -21.176 -12.707 1.00 0.00 C ATOM 1290 C LYS A 86 -17.140 -21.297 -12.869 1.00 0.00 C ATOM 1291 O LYS A 86 -16.632 -21.413 -13.984 1.00 0.00 O ATOM 1292 CB LYS A 86 -19.357 -21.878 -13.870 1.00 0.00 C ATOM 1293 CG LYS A 86 -19.391 -21.056 -15.146 1.00 0.00 C ATOM 1294 CD LYS A 86 -20.087 -21.803 -16.272 1.00 0.00 C ATOM 1295 CE LYS A 86 -20.677 -20.844 -17.295 1.00 0.00 C ATOM 1296 NZ LYS A 86 -21.092 -21.548 -18.540 1.00 0.00 N ATOM 0 H LYS A 86 -18.935 -19.261 -13.511 1.00 0.00 H new ATOM 0 HA LYS A 86 -18.937 -21.657 -11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.855 -22.824 -14.071 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.379 -22.116 -13.574 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.907 -20.114 -14.960 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.373 -20.808 -15.447 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.376 -22.468 -16.763 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.878 -22.429 -15.860 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.538 -20.335 -16.861 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.943 -20.077 -17.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -21.489 -20.860 -19.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.266 -22.013 -18.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.812 -22.263 -18.311 1.00 0.00 H new ATOM 1310 N GLY A 87 -16.425 -21.270 -11.748 1.00 0.00 N ATOM 1311 CA GLY A 87 -14.978 -21.378 -11.788 1.00 0.00 C ATOM 1312 C GLY A 87 -14.316 -20.117 -12.308 1.00 0.00 C ATOM 1313 O GLY A 87 -13.375 -19.604 -11.702 1.00 0.00 O ATOM 0 H GLY A 87 -16.822 -21.175 -10.813 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.605 -21.594 -10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -14.697 -22.220 -12.421 1.00 0.00 H new ATOM 1317 N THR A 88 -14.807 -19.615 -13.437 1.00 0.00 N ATOM 1318 CA THR A 88 -14.256 -18.409 -14.041 1.00 0.00 C ATOM 1319 C THR A 88 -14.964 -17.162 -13.523 1.00 0.00 C ATOM 1320 O THR A 88 -16.125 -17.219 -13.116 1.00 0.00 O ATOM 1321 CB THR A 88 -14.366 -18.448 -15.577 1.00 0.00 C ATOM 1322 OG1 THR A 88 -14.038 -19.756 -16.058 1.00 0.00 O ATOM 1323 CG2 THR A 88 -13.442 -17.421 -16.212 1.00 0.00 C ATOM 0 H THR A 88 -15.586 -20.026 -13.952 1.00 0.00 H new ATOM 0 HA THR A 88 -13.203 -18.369 -13.761 1.00 0.00 H new ATOM 0 HB THR A 88 -15.393 -18.207 -15.852 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.112 -19.773 -17.035 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.537 -17.467 -17.297 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.714 -16.424 -15.866 1.00 0.00 H new ATOM 0 HG23 THR A 88 -12.411 -17.635 -15.929 1.00 0.00 H new ATOM 1331 N VAL A 89 -14.259 -16.035 -13.543 1.00 0.00 N ATOM 1332 CA VAL A 89 -14.822 -14.774 -13.077 1.00 0.00 C ATOM 1333 C VAL A 89 -14.623 -13.669 -14.108 1.00 0.00 C ATOM 1334 O VAL A 89 -13.496 -13.373 -14.505 1.00 0.00 O ATOM 1335 CB VAL A 89 -14.189 -14.335 -11.743 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -12.786 -14.906 -11.605 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -14.170 -12.818 -11.636 1.00 0.00 C ATOM 0 H VAL A 89 -13.297 -15.970 -13.877 1.00 0.00 H new ATOM 0 HA VAL A 89 -15.889 -14.940 -12.927 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.796 -14.726 -10.926 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.354 -14.585 -10.657 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.832 -15.995 -11.633 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.165 -14.548 -12.426 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.720 -12.526 -10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.587 -12.403 -12.458 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.190 -12.437 -11.686 1.00 0.00 H new ATOM 1347 N TRP A 90 -15.723 -13.063 -14.538 1.00 0.00 N ATOM 1348 CA TRP A 90 -15.670 -11.989 -15.524 1.00 0.00 C ATOM 1349 C TRP A 90 -15.652 -10.625 -14.843 1.00 0.00 C ATOM 1350 O TRP A 90 -16.196 -10.459 -13.751 1.00 0.00 O ATOM 1351 CB TRP A 90 -16.863 -12.083 -16.476 1.00 0.00 C ATOM 1352 CG TRP A 90 -17.145 -13.480 -16.940 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -17.522 -14.540 -16.166 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -17.071 -13.968 -18.284 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -17.686 -15.658 -16.948 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -17.416 -15.333 -18.251 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -16.748 -13.385 -19.511 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -17.446 -16.121 -19.398 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -16.777 -14.168 -20.649 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -17.125 -15.524 -20.587 1.00 0.00 C ATOM 0 H TRP A 90 -16.663 -13.297 -14.220 1.00 0.00 H new ATOM 0 HA TRP A 90 -14.749 -12.100 -16.096 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -17.748 -11.688 -15.978 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -16.677 -11.450 -17.344 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -17.670 -14.505 -15.097 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -17.964 -16.580 -16.613 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -16.480 -12.340 -19.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -17.713 -17.166 -19.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -16.527 -13.727 -21.603 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -17.140 -16.109 -21.495 1.00 0.00 H new ATOM 1371 N HIS A 91 -15.024 -9.652 -15.495 1.00 0.00 N ATOM 1372 CA HIS A 91 -14.937 -8.301 -14.951 1.00 0.00 C ATOM 1373 C HIS A 91 -16.320 -7.665 -14.850 1.00 0.00 C ATOM 1374 O HIS A 91 -17.154 -7.823 -15.742 1.00 0.00 O ATOM 1375 CB HIS A 91 -14.028 -7.435 -15.824 1.00 0.00 C ATOM 1376 CG HIS A 91 -12.569 -7.719 -15.636 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -11.760 -8.199 -16.643 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -11.774 -7.586 -14.548 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -10.531 -8.351 -16.183 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -10.513 -7.986 -14.914 1.00 0.00 N ATOM 0 H HIS A 91 -14.568 -9.773 -16.399 1.00 0.00 H new ATOM 0 HA HIS A 91 -14.513 -8.366 -13.949 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -14.288 -7.591 -16.871 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -14.217 -6.385 -15.601 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -12.063 -8.405 -17.595 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.076 -7.231 -13.574 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.685 -8.712 -16.749 1.00 0.00 H new ATOM 1388 N LYS A 92 -16.558 -6.947 -13.758 1.00 0.00 N ATOM 1389 CA LYS A 92 -17.839 -6.287 -13.540 1.00 0.00 C ATOM 1390 C LYS A 92 -18.389 -5.720 -14.845 1.00 0.00 C ATOM 1391 O LYS A 92 -19.602 -5.662 -15.046 1.00 0.00 O ATOM 1392 CB LYS A 92 -17.690 -5.167 -12.508 1.00 0.00 C ATOM 1393 CG LYS A 92 -19.015 -4.655 -11.970 1.00 0.00 C ATOM 1394 CD LYS A 92 -19.671 -5.667 -11.046 1.00 0.00 C ATOM 1395 CE LYS A 92 -20.731 -5.018 -10.170 1.00 0.00 C ATOM 1396 NZ LYS A 92 -21.016 -5.827 -8.952 1.00 0.00 N ATOM 0 H LYS A 92 -15.879 -6.807 -13.009 1.00 0.00 H new ATOM 0 HA LYS A 92 -18.542 -7.030 -13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -17.085 -5.529 -11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -17.146 -4.338 -12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -18.853 -3.721 -11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -19.684 -4.432 -12.801 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.124 -6.462 -11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -18.912 -6.132 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -20.399 -4.023 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -21.649 -4.891 -10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -21.744 -5.351 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -21.357 -6.768 -9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.146 -5.927 -8.390 1.00 0.00 H new ATOM 1410 N ASP A 93 -17.489 -5.304 -15.729 1.00 0.00 N ATOM 1411 CA ASP A 93 -17.884 -4.744 -17.017 1.00 0.00 C ATOM 1412 C ASP A 93 -18.136 -5.851 -18.036 1.00 0.00 C ATOM 1413 O ASP A 93 -19.123 -5.818 -18.772 1.00 0.00 O ATOM 1414 CB ASP A 93 -16.805 -3.792 -17.535 1.00 0.00 C ATOM 1415 CG ASP A 93 -17.007 -2.370 -17.052 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -18.094 -1.808 -17.300 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -16.078 -1.817 -16.426 1.00 0.00 O ATOM 0 H ASP A 93 -16.481 -5.344 -15.578 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.811 -4.188 -16.876 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.826 -4.147 -17.212 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.805 -3.806 -18.625 1.00 0.00 H new ATOM 1422 N CYS A 94 -17.237 -6.828 -18.075 1.00 0.00 N ATOM 1423 CA CYS A 94 -17.360 -7.945 -19.005 1.00 0.00 C ATOM 1424 C CYS A 94 -18.664 -8.704 -18.774 1.00 0.00 C ATOM 1425 O CYS A 94 -19.326 -9.124 -19.723 1.00 0.00 O ATOM 1426 CB CYS A 94 -16.171 -8.895 -18.854 1.00 0.00 C ATOM 1427 SG CYS A 94 -14.596 -8.218 -19.471 1.00 0.00 S ATOM 0 H CYS A 94 -16.415 -6.869 -17.473 1.00 0.00 H new ATOM 0 HA CYS A 94 -17.369 -7.543 -20.018 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -16.056 -9.152 -17.801 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -16.389 -9.821 -19.386 1.00 0.00 H new ATOM 0 HG CYS A 94 -13.617 -8.989 -19.101 1.00 0.00 H new ATOM 1432 N PHE A 95 -19.026 -8.875 -17.507 1.00 0.00 N ATOM 1433 CA PHE A 95 -20.250 -9.583 -17.150 1.00 0.00 C ATOM 1434 C PHE A 95 -21.466 -8.673 -17.292 1.00 0.00 C ATOM 1435 O PHE A 95 -21.613 -7.697 -16.556 1.00 0.00 O ATOM 1436 CB PHE A 95 -20.158 -10.113 -15.718 1.00 0.00 C ATOM 1437 CG PHE A 95 -20.984 -11.345 -15.481 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -22.367 -11.295 -15.562 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -20.379 -12.553 -15.176 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -23.130 -12.426 -15.344 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -21.136 -13.688 -14.958 1.00 0.00 C ATOM 1442 CZ PHE A 95 -22.514 -13.625 -15.041 1.00 0.00 C ATOM 0 H PHE A 95 -18.489 -8.533 -16.710 1.00 0.00 H new ATOM 0 HA PHE A 95 -20.367 -10.424 -17.834 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -19.116 -10.334 -15.487 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -20.479 -9.332 -15.029 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -22.854 -10.360 -15.798 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -19.303 -12.608 -15.108 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -24.207 -12.373 -15.410 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -20.651 -14.624 -14.723 1.00 0.00 H new ATOM 0 HZ PHE A 95 -23.108 -14.511 -14.869 1.00 0.00 H new