USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 Single : A 8 TYR OH : rot 180:sc=-0.00727 USER MOD Single : A 12 THR OG1 : rot 16:sc= -0.906! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 105:sc= 1.16 USER MOD Single : A 34 ASN : amide:sc= -3.99! C(o=-4!,f=-9.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 66:sc= 0.879 USER MOD Single : A 42 ASN : amide:sc= -5.05! C(o=-5.1!,f=-13!) USER MOD Single : A 43 HIS : no HD1:sc= -19.8! C(o=-20!,f=-19!) USER MOD Single : A 44 SER OG : rot -67:sc= -0.194! USER MOD Single : A 48 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.74) USER MOD Single : A 54 SER OG : rot 180:sc= -0.608 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -4! C(o=-4!,f=-4.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0524 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.848 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -21:sc= 0.79! USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 5 7.762 4.338 -1.778 1.00 0.00 N ATOM 70 CA PRO A 5 6.543 4.947 -1.211 1.00 0.00 C ATOM 71 C PRO A 5 6.504 4.719 0.301 1.00 0.00 C ATOM 72 O PRO A 5 7.220 3.896 0.836 1.00 0.00 O ATOM 73 CB PRO A 5 5.408 4.198 -1.899 1.00 0.00 C ATOM 74 CG PRO A 5 5.995 2.882 -2.298 1.00 0.00 C ATOM 75 CD PRO A 5 7.477 3.087 -2.489 1.00 0.00 C ATOM 0 HA PRO A 5 6.486 6.024 -1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.560 4.064 -1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.043 4.746 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.807 2.130 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.536 2.520 -3.218 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.050 2.256 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.736 3.161 -3.545 1.00 0.00 H new ATOM 83 N ALA A 6 5.676 5.443 0.989 1.00 0.00 N ATOM 84 CA ALA A 6 5.582 5.279 2.464 1.00 0.00 C ATOM 85 C ALA A 6 4.696 4.079 2.809 1.00 0.00 C ATOM 86 O ALA A 6 4.805 3.496 3.868 1.00 0.00 O ATOM 87 CB ALA A 6 4.948 6.576 2.967 1.00 0.00 C ATOM 0 H ALA A 6 5.054 6.148 0.592 1.00 0.00 H new ATOM 0 HA ALA A 6 6.554 5.096 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.844 6.534 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.582 7.420 2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.965 6.700 2.513 1.00 0.00 H new ATOM 93 N ILE A 7 3.815 3.711 1.920 1.00 0.00 N ATOM 94 CA ILE A 7 2.914 2.551 2.192 1.00 0.00 C ATOM 95 C ILE A 7 3.720 1.322 2.634 1.00 0.00 C ATOM 96 O ILE A 7 3.524 0.800 3.713 1.00 0.00 O ATOM 97 CB ILE A 7 2.180 2.285 0.869 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.612 0.862 0.871 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.135 2.440 -0.321 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.847 0.619 2.172 1.00 0.00 C ATOM 0 H ILE A 7 3.679 4.163 1.016 1.00 0.00 H new ATOM 0 HA ILE A 7 2.216 2.763 3.002 1.00 0.00 H new ATOM 0 HB ILE A 7 1.372 3.010 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.950 0.722 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.420 0.137 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.595 2.247 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.534 3.454 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.955 1.729 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.443 -0.393 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.522 0.741 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.030 1.336 2.253 1.00 0.00 H new ATOM 112 N TYR A 8 4.616 0.853 1.814 1.00 0.00 N ATOM 113 CA TYR A 8 5.419 -0.342 2.196 1.00 0.00 C ATOM 114 C TYR A 8 5.927 -0.189 3.627 1.00 0.00 C ATOM 115 O TYR A 8 6.128 -1.159 4.333 1.00 0.00 O ATOM 116 CB TYR A 8 6.582 -0.379 1.207 1.00 0.00 C ATOM 117 CG TYR A 8 6.048 -0.545 -0.196 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.882 -1.289 -0.421 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.716 0.047 -1.271 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.388 -1.438 -1.720 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.221 -0.102 -2.572 1.00 0.00 C ATOM 122 CZ TYR A 8 5.056 -0.844 -2.796 1.00 0.00 C ATOM 123 OH TYR A 8 4.568 -0.990 -4.079 1.00 0.00 O ATOM 0 H TYR A 8 4.828 1.244 0.896 1.00 0.00 H new ATOM 0 HA TYR A 8 4.837 -1.263 2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.164 0.540 1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.254 -1.202 1.451 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.365 -1.747 0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.615 0.620 -1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.490 -2.012 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.738 0.356 -3.402 1.00 0.00 H new ATOM 0 HH TYR A 8 5.151 -0.514 -4.707 1.00 0.00 H new ATOM 133 N ILE A 9 6.127 1.020 4.067 1.00 0.00 N ATOM 134 CA ILE A 9 6.611 1.226 5.460 1.00 0.00 C ATOM 135 C ILE A 9 5.504 0.851 6.445 1.00 0.00 C ATOM 136 O ILE A 9 4.368 1.252 6.295 1.00 0.00 O ATOM 137 CB ILE A 9 6.948 2.714 5.563 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.827 3.122 4.376 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.702 2.977 6.868 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.418 4.510 4.632 1.00 0.00 C ATOM 0 H ILE A 9 5.977 1.872 3.526 1.00 0.00 H new ATOM 0 HA ILE A 9 7.479 0.609 5.694 1.00 0.00 H new ATOM 0 HB ILE A 9 6.027 3.296 5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.627 2.395 4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.238 3.129 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.942 4.038 6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.078 2.687 7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.623 2.394 6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.043 4.801 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.611 5.233 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.021 4.487 5.539 1.00 0.00 H new ATOM 152 N GLY A 10 5.821 0.074 7.441 1.00 0.00 N ATOM 153 CA GLY A 10 4.776 -0.334 8.418 1.00 0.00 C ATOM 154 C GLY A 10 3.629 -0.988 7.649 1.00 0.00 C ATOM 155 O GLY A 10 2.478 -0.889 8.024 1.00 0.00 O ATOM 0 H GLY A 10 6.755 -0.295 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.190 -1.030 9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.416 0.532 8.973 1.00 0.00 H new ATOM 159 N ALA A 11 3.940 -1.649 6.567 1.00 0.00 N ATOM 160 CA ALA A 11 2.868 -2.304 5.759 1.00 0.00 C ATOM 161 C ALA A 11 3.132 -3.806 5.635 1.00 0.00 C ATOM 162 O ALA A 11 3.904 -4.373 6.382 1.00 0.00 O ATOM 163 CB ALA A 11 2.941 -1.634 4.388 1.00 0.00 C ATOM 0 H ALA A 11 4.887 -1.764 6.207 1.00 0.00 H new ATOM 0 HA ALA A 11 1.885 -2.194 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.182 -2.062 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.766 -0.564 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.928 -1.798 3.955 1.00 0.00 H new ATOM 169 N THR A 12 2.496 -4.458 4.696 1.00 0.00 N ATOM 170 CA THR A 12 2.718 -5.926 4.537 1.00 0.00 C ATOM 171 C THR A 12 2.442 -6.346 3.092 1.00 0.00 C ATOM 172 O THR A 12 1.312 -6.540 2.706 1.00 0.00 O ATOM 173 CB THR A 12 1.717 -6.585 5.493 1.00 0.00 C ATOM 174 OG1 THR A 12 2.252 -6.583 6.809 1.00 0.00 O ATOM 175 CG2 THR A 12 1.444 -8.028 5.053 1.00 0.00 C ATOM 0 H THR A 12 1.838 -4.041 4.037 1.00 0.00 H new ATOM 0 HA THR A 12 3.744 -6.217 4.761 1.00 0.00 H new ATOM 0 HB THR A 12 0.782 -6.025 5.476 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.996 -5.947 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.732 -8.489 5.738 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.030 -8.029 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.375 -8.594 5.063 1.00 0.00 H new ATOM 183 N VAL A 13 3.459 -6.492 2.291 1.00 0.00 N ATOM 184 CA VAL A 13 3.233 -6.901 0.875 1.00 0.00 C ATOM 185 C VAL A 13 3.255 -8.427 0.756 1.00 0.00 C ATOM 186 O VAL A 13 3.361 -9.136 1.737 1.00 0.00 O ATOM 187 CB VAL A 13 4.395 -6.281 0.089 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.627 -4.843 0.556 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.670 -7.097 0.324 1.00 0.00 C ATOM 0 H VAL A 13 4.434 -6.347 2.553 1.00 0.00 H new ATOM 0 HA VAL A 13 2.266 -6.568 0.499 1.00 0.00 H new ATOM 0 HB VAL A 13 4.148 -6.284 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.453 -4.407 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.724 -4.256 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.869 -4.840 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.494 -6.654 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.912 -7.096 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.513 -8.122 -0.012 1.00 0.00 H new ATOM 199 N GLY A 14 3.160 -8.939 -0.442 1.00 0.00 N ATOM 200 CA GLY A 14 3.181 -10.417 -0.624 1.00 0.00 C ATOM 201 C GLY A 14 4.608 -10.866 -0.940 1.00 0.00 C ATOM 202 O GLY A 14 5.555 -10.150 -0.680 1.00 0.00 O ATOM 0 H GLY A 14 3.069 -8.397 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.823 -10.911 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.509 -10.705 -1.433 1.00 0.00 H new ATOM 206 N PRO A 15 4.714 -12.041 -1.495 1.00 0.00 N ATOM 207 CA PRO A 15 6.042 -12.594 -1.855 1.00 0.00 C ATOM 208 C PRO A 15 6.602 -11.874 -3.085 1.00 0.00 C ATOM 209 O PRO A 15 7.745 -11.458 -3.108 1.00 0.00 O ATOM 210 CB PRO A 15 5.748 -14.058 -2.166 1.00 0.00 C ATOM 211 CG PRO A 15 4.305 -14.089 -2.562 1.00 0.00 C ATOM 212 CD PRO A 15 3.621 -12.957 -1.837 1.00 0.00 C ATOM 0 HA PRO A 15 6.786 -12.474 -1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.386 -14.426 -2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.932 -14.690 -1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.199 -13.975 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.853 -15.045 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.876 -12.472 -2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.102 -13.310 -0.945 1.00 0.00 H new ATOM 220 N SER A 16 5.806 -11.725 -4.108 1.00 0.00 N ATOM 221 CA SER A 16 6.292 -11.032 -5.336 1.00 0.00 C ATOM 222 C SER A 16 6.587 -9.561 -5.032 1.00 0.00 C ATOM 223 O SER A 16 7.626 -9.042 -5.385 1.00 0.00 O ATOM 224 CB SER A 16 5.144 -11.151 -6.338 1.00 0.00 C ATOM 225 OG SER A 16 5.021 -9.932 -7.058 1.00 0.00 O ATOM 0 H SER A 16 4.841 -12.053 -4.147 1.00 0.00 H new ATOM 0 HA SER A 16 7.215 -11.469 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.330 -11.976 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.213 -11.375 -5.817 1.00 0.00 H new ATOM 0 HG SER A 16 4.287 -10.006 -7.703 1.00 0.00 H new ATOM 231 N VAL A 17 5.680 -8.885 -4.381 1.00 0.00 N ATOM 232 CA VAL A 17 5.914 -7.449 -4.058 1.00 0.00 C ATOM 233 C VAL A 17 7.181 -7.303 -3.211 1.00 0.00 C ATOM 234 O VAL A 17 8.021 -6.468 -3.476 1.00 0.00 O ATOM 235 CB VAL A 17 4.685 -7.012 -3.261 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.700 -5.491 -3.095 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.417 -7.428 -4.008 1.00 0.00 C ATOM 0 H VAL A 17 4.789 -9.264 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 17 6.053 -6.842 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 17 4.702 -7.487 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.824 -5.178 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.603 -5.192 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.684 -5.018 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.541 -7.116 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.401 -6.953 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.405 -8.511 -4.129 1.00 0.00 H new ATOM 247 N TRP A 18 7.323 -8.109 -2.195 1.00 0.00 N ATOM 248 CA TRP A 18 8.537 -8.012 -1.336 1.00 0.00 C ATOM 249 C TRP A 18 9.799 -8.022 -2.201 1.00 0.00 C ATOM 250 O TRP A 18 10.573 -7.087 -2.197 1.00 0.00 O ATOM 251 CB TRP A 18 8.496 -9.250 -0.439 1.00 0.00 C ATOM 252 CG TRP A 18 9.395 -9.037 0.735 1.00 0.00 C ATOM 253 CD1 TRP A 18 9.520 -7.873 1.412 1.00 0.00 C ATOM 254 CD2 TRP A 18 10.294 -9.985 1.381 1.00 0.00 C ATOM 255 NE1 TRP A 18 10.437 -8.045 2.434 1.00 0.00 N ATOM 256 CE2 TRP A 18 10.941 -9.330 2.456 1.00 0.00 C ATOM 257 CE3 TRP A 18 10.608 -11.335 1.143 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.867 -9.991 3.265 1.00 0.00 C ATOM 259 CZ3 TRP A 18 11.538 -12.003 1.955 1.00 0.00 C ATOM 260 CH2 TRP A 18 12.166 -11.333 3.014 1.00 0.00 C ATOM 0 H TRP A 18 6.653 -8.829 -1.923 1.00 0.00 H new ATOM 0 HA TRP A 18 8.554 -7.090 -0.755 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.476 -9.436 -0.102 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.812 -10.130 -0.999 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.990 -6.958 1.191 1.00 0.00 H new ATOM 0 HE1 TRP A 18 10.707 -7.312 3.090 1.00 0.00 H new ATOM 0 HE3 TRP A 18 10.130 -11.861 0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.349 -9.469 4.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 11.771 -13.040 1.763 1.00 0.00 H new ATOM 0 HH2 TRP A 18 12.880 -11.853 3.635 1.00 0.00 H new ATOM 271 N ALA A 19 10.010 -9.075 -2.942 1.00 0.00 N ATOM 272 CA ALA A 19 11.223 -9.145 -3.807 1.00 0.00 C ATOM 273 C ALA A 19 11.360 -7.864 -4.633 1.00 0.00 C ATOM 274 O ALA A 19 12.449 -7.395 -4.894 1.00 0.00 O ATOM 275 CB ALA A 19 10.991 -10.350 -4.719 1.00 0.00 C ATOM 0 H ALA A 19 9.397 -9.889 -2.986 1.00 0.00 H new ATOM 0 HA ALA A 19 12.139 -9.245 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.843 -10.469 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.878 -11.249 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.087 -10.193 -5.307 1.00 0.00 H new ATOM 281 N TYR A 20 10.262 -7.294 -5.042 1.00 0.00 N ATOM 282 CA TYR A 20 10.326 -6.042 -5.849 1.00 0.00 C ATOM 283 C TYR A 20 10.927 -4.910 -5.012 1.00 0.00 C ATOM 284 O TYR A 20 12.006 -4.422 -5.290 1.00 0.00 O ATOM 285 CB TYR A 20 8.874 -5.730 -6.212 1.00 0.00 C ATOM 286 CG TYR A 20 8.832 -4.556 -7.160 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.744 -4.481 -8.220 1.00 0.00 C ATOM 288 CD2 TYR A 20 7.883 -3.543 -6.979 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.705 -3.392 -9.099 1.00 0.00 C ATOM 290 CE2 TYR A 20 7.846 -2.454 -7.858 1.00 0.00 C ATOM 291 CZ TYR A 20 8.757 -2.379 -8.918 1.00 0.00 C ATOM 292 OH TYR A 20 8.720 -1.305 -9.783 1.00 0.00 O ATOM 0 H TYR A 20 9.321 -7.640 -4.853 1.00 0.00 H new ATOM 0 HA TYR A 20 10.951 -6.150 -6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.409 -6.601 -6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.303 -5.504 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.477 -5.262 -8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.180 -3.602 -6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.407 -3.334 -9.917 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.115 -1.672 -7.718 1.00 0.00 H new ATOM 0 HH TYR A 20 8.002 -0.694 -9.516 1.00 0.00 H new ATOM 302 N LEU A 21 10.241 -4.493 -3.984 1.00 0.00 N ATOM 303 CA LEU A 21 10.775 -3.401 -3.126 1.00 0.00 C ATOM 304 C LEU A 21 12.215 -3.724 -2.718 1.00 0.00 C ATOM 305 O LEU A 21 13.001 -2.845 -2.427 1.00 0.00 O ATOM 306 CB LEU A 21 9.855 -3.381 -1.906 1.00 0.00 C ATOM 307 CG LEU A 21 9.858 -1.987 -1.278 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.078 -2.018 0.038 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.299 -1.553 -1.004 1.00 0.00 C ATOM 0 H LEU A 21 9.333 -4.862 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 21 10.796 -2.436 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.842 -3.656 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.187 -4.119 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 21 9.389 -1.281 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.080 -1.024 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.051 -2.327 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.547 -2.725 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.301 -0.559 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.768 -2.260 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.856 -1.530 -1.940 1.00 0.00 H new ATOM 321 N VAL A 22 12.566 -4.982 -2.704 1.00 0.00 N ATOM 322 CA VAL A 22 13.955 -5.363 -2.324 1.00 0.00 C ATOM 323 C VAL A 22 14.918 -5.005 -3.456 1.00 0.00 C ATOM 324 O VAL A 22 15.994 -4.490 -3.234 1.00 0.00 O ATOM 325 CB VAL A 22 13.910 -6.877 -2.110 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.333 -7.439 -2.116 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.251 -7.180 -0.763 1.00 0.00 C ATOM 0 H VAL A 22 11.951 -5.761 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 22 14.301 -4.842 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 22 13.334 -7.339 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.299 -8.518 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.806 -7.223 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.910 -6.977 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.218 -8.258 -0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.828 -6.716 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.237 -6.781 -0.756 1.00 0.00 H new ATOM 337 N ALA A 23 14.533 -5.266 -4.671 1.00 0.00 N ATOM 338 CA ALA A 23 15.419 -4.928 -5.816 1.00 0.00 C ATOM 339 C ALA A 23 15.644 -3.415 -5.856 1.00 0.00 C ATOM 340 O ALA A 23 16.663 -2.937 -6.312 1.00 0.00 O ATOM 341 CB ALA A 23 14.662 -5.395 -7.059 1.00 0.00 C ATOM 0 H ALA A 23 13.644 -5.698 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 23 16.398 -5.401 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.254 -5.179 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.483 -6.468 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.708 -4.871 -7.122 1.00 0.00 H new ATOM 347 N LEU A 24 14.691 -2.662 -5.379 1.00 0.00 N ATOM 348 CA LEU A 24 14.831 -1.181 -5.380 1.00 0.00 C ATOM 349 C LEU A 24 15.745 -0.730 -4.236 1.00 0.00 C ATOM 350 O LEU A 24 16.636 0.074 -4.423 1.00 0.00 O ATOM 351 CB LEU A 24 13.411 -0.653 -5.171 1.00 0.00 C ATOM 352 CG LEU A 24 13.253 0.693 -5.881 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.267 0.478 -7.395 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.924 1.331 -5.470 1.00 0.00 C ATOM 0 H LEU A 24 13.817 -3.012 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 24 15.276 -0.809 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.686 -1.368 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.208 -0.540 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 24 14.076 1.350 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.154 1.437 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.212 0.022 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.444 -0.179 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.809 2.290 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.102 0.673 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.913 1.485 -4.391 1.00 0.00 H new ATOM 366 N VAL A 25 15.526 -1.235 -3.051 1.00 0.00 N ATOM 367 CA VAL A 25 16.380 -0.826 -1.896 1.00 0.00 C ATOM 368 C VAL A 25 17.221 -2.009 -1.407 1.00 0.00 C ATOM 369 O VAL A 25 18.388 -1.873 -1.098 1.00 0.00 O ATOM 370 CB VAL A 25 15.396 -0.389 -0.802 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.273 0.443 -1.418 1.00 0.00 C ATOM 372 CG2 VAL A 25 14.786 -1.620 -0.126 1.00 0.00 C ATOM 0 H VAL A 25 14.795 -1.912 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 25 17.074 -0.030 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 25 15.935 0.206 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.578 0.750 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.695 1.327 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.744 -0.154 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.089 -1.302 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.256 -2.217 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 25 15.579 -2.219 0.323 1.00 0.00 H new ATOM 382 N GLY A 26 16.624 -3.163 -1.322 1.00 0.00 N ATOM 383 CA GLY A 26 17.365 -4.358 -0.836 1.00 0.00 C ATOM 384 C GLY A 26 16.660 -4.890 0.410 1.00 0.00 C ATOM 385 O GLY A 26 15.774 -4.254 0.944 1.00 0.00 O ATOM 0 H GLY A 26 15.649 -3.331 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.397 -5.125 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.397 -4.096 -0.605 1.00 0.00 H new ATOM 389 N ALA A 27 17.030 -6.046 0.880 1.00 0.00 N ATOM 390 CA ALA A 27 16.358 -6.594 2.089 1.00 0.00 C ATOM 391 C ALA A 27 16.663 -5.724 3.310 1.00 0.00 C ATOM 392 O ALA A 27 15.876 -5.632 4.230 1.00 0.00 O ATOM 393 CB ALA A 27 16.934 -7.999 2.266 1.00 0.00 C ATOM 0 H ALA A 27 17.764 -6.632 0.483 1.00 0.00 H new ATOM 0 HA ALA A 27 15.273 -6.613 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.485 -8.469 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.715 -8.596 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.014 -7.935 2.402 1.00 0.00 H new ATOM 399 N ALA A 28 17.799 -5.084 3.326 1.00 0.00 N ATOM 400 CA ALA A 28 18.145 -4.221 4.488 1.00 0.00 C ATOM 401 C ALA A 28 17.177 -3.041 4.571 1.00 0.00 C ATOM 402 O ALA A 28 16.582 -2.787 5.598 1.00 0.00 O ATOM 403 CB ALA A 28 19.569 -3.736 4.217 1.00 0.00 C ATOM 0 H ALA A 28 18.501 -5.121 2.587 1.00 0.00 H new ATOM 0 HA ALA A 28 18.076 -4.755 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.895 -3.092 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.237 -4.594 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.591 -3.176 3.282 1.00 0.00 H new ATOM 409 N ALA A 29 17.008 -2.320 3.497 1.00 0.00 N ATOM 410 CA ALA A 29 16.070 -1.164 3.521 1.00 0.00 C ATOM 411 C ALA A 29 14.646 -1.665 3.764 1.00 0.00 C ATOM 412 O ALA A 29 13.907 -1.116 4.556 1.00 0.00 O ATOM 413 CB ALA A 29 16.190 -0.522 2.139 1.00 0.00 C ATOM 0 H ALA A 29 17.478 -2.481 2.606 1.00 0.00 H new ATOM 0 HA ALA A 29 16.302 -0.452 4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.526 0.340 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.218 -0.200 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.911 -1.248 1.375 1.00 0.00 H new ATOM 419 N VAL A 30 14.261 -2.710 3.087 1.00 0.00 N ATOM 420 CA VAL A 30 12.888 -3.258 3.274 1.00 0.00 C ATOM 421 C VAL A 30 12.703 -3.743 4.715 1.00 0.00 C ATOM 422 O VAL A 30 11.601 -3.782 5.227 1.00 0.00 O ATOM 423 CB VAL A 30 12.795 -4.431 2.299 1.00 0.00 C ATOM 424 CG1 VAL A 30 11.495 -5.196 2.542 1.00 0.00 C ATOM 425 CG2 VAL A 30 12.813 -3.900 0.864 1.00 0.00 C ATOM 0 H VAL A 30 14.839 -3.210 2.411 1.00 0.00 H new ATOM 0 HA VAL A 30 12.116 -2.511 3.089 1.00 0.00 H new ATOM 0 HB VAL A 30 13.642 -5.099 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.430 -6.032 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.480 -5.573 3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.646 -4.529 2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.747 -4.735 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.965 -3.232 0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.740 -3.354 0.690 1.00 0.00 H new ATOM 435 N THR A 31 13.767 -4.116 5.375 1.00 0.00 N ATOM 436 CA THR A 31 13.637 -4.599 6.780 1.00 0.00 C ATOM 437 C THR A 31 13.612 -3.413 7.750 1.00 0.00 C ATOM 438 O THR A 31 12.982 -3.462 8.787 1.00 0.00 O ATOM 439 CB THR A 31 14.875 -5.464 7.019 1.00 0.00 C ATOM 440 OG1 THR A 31 14.784 -6.643 6.232 1.00 0.00 O ATOM 441 CG2 THR A 31 14.958 -5.840 8.499 1.00 0.00 C ATOM 0 H THR A 31 14.717 -4.107 5.004 1.00 0.00 H new ATOM 0 HA THR A 31 12.714 -5.157 6.940 1.00 0.00 H new ATOM 0 HB THR A 31 15.769 -4.907 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.396 -6.575 5.469 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.841 -6.457 8.669 1.00 0.00 H new ATOM 0 HG22 THR A 31 15.027 -4.934 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 31 14.066 -6.398 8.783 1.00 0.00 H new ATOM 449 N ALA A 32 14.291 -2.350 7.420 1.00 0.00 N ATOM 450 CA ALA A 32 14.302 -1.163 8.322 1.00 0.00 C ATOM 451 C ALA A 32 13.036 -0.331 8.110 1.00 0.00 C ATOM 452 O ALA A 32 12.673 0.488 8.930 1.00 0.00 O ATOM 453 CB ALA A 32 15.543 -0.367 7.914 1.00 0.00 C ATOM 0 H ALA A 32 14.839 -2.251 6.565 1.00 0.00 H new ATOM 0 HA ALA A 32 14.327 -1.442 9.375 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.623 0.526 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.432 -0.983 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.460 -0.076 6.867 1.00 0.00 H new ATOM 459 N ALA A 33 12.360 -0.536 7.012 1.00 0.00 N ATOM 460 CA ALA A 33 11.118 0.241 6.745 1.00 0.00 C ATOM 461 C ALA A 33 9.902 -0.494 7.316 1.00 0.00 C ATOM 462 O ALA A 33 8.774 -0.113 7.085 1.00 0.00 O ATOM 463 CB ALA A 33 11.025 0.329 5.222 1.00 0.00 C ATOM 0 H ALA A 33 12.615 -1.208 6.289 1.00 0.00 H new ATOM 0 HA ALA A 33 11.140 1.227 7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.132 0.889 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.908 0.836 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.969 -0.675 4.802 1.00 0.00 H new ATOM 469 N ASN A 34 10.123 -1.543 8.058 1.00 0.00 N ATOM 470 CA ASN A 34 8.978 -2.303 8.644 1.00 0.00 C ATOM 471 C ASN A 34 8.051 -2.818 7.534 1.00 0.00 C ATOM 472 O ASN A 34 6.952 -2.327 7.338 1.00 0.00 O ATOM 473 CB ASN A 34 8.250 -1.300 9.543 1.00 0.00 C ATOM 474 CG ASN A 34 7.048 -1.981 10.200 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.666 -3.068 9.816 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.432 -1.382 11.182 1.00 0.00 N ATOM 0 H ASN A 34 11.047 -1.909 8.286 1.00 0.00 H new ATOM 0 HA ASN A 34 9.309 -3.179 9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.929 -0.921 10.307 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.920 -0.443 8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.629 -1.827 11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.753 -0.469 11.504 1.00 0.00 H new ATOM 483 N ILE A 35 8.491 -3.813 6.811 1.00 0.00 N ATOM 484 CA ILE A 35 7.648 -4.378 5.719 1.00 0.00 C ATOM 485 C ILE A 35 7.498 -5.889 5.908 1.00 0.00 C ATOM 486 O ILE A 35 8.455 -6.632 5.814 1.00 0.00 O ATOM 487 CB ILE A 35 8.409 -4.071 4.429 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.251 -2.588 4.085 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.843 -4.919 3.288 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.578 -2.043 3.549 1.00 0.00 C ATOM 0 H ILE A 35 9.400 -4.260 6.930 1.00 0.00 H new ATOM 0 HA ILE A 35 6.644 -3.954 5.706 1.00 0.00 H new ATOM 0 HB ILE A 35 9.465 -4.304 4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.465 -2.458 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.947 -2.029 4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.386 -4.700 2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.953 -5.976 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.787 -4.686 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.465 -0.987 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.352 -2.159 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.863 -2.595 2.653 1.00 0.00 H new ATOM 502 N ARG A 36 6.310 -6.350 6.185 1.00 0.00 N ATOM 503 CA ARG A 36 6.108 -7.813 6.390 1.00 0.00 C ATOM 504 C ARG A 36 5.541 -8.464 5.125 1.00 0.00 C ATOM 505 O ARG A 36 4.919 -7.817 4.306 1.00 0.00 O ATOM 506 CB ARG A 36 5.102 -7.914 7.538 1.00 0.00 C ATOM 507 CG ARG A 36 5.639 -7.162 8.758 1.00 0.00 C ATOM 508 CD ARG A 36 5.183 -7.872 10.034 1.00 0.00 C ATOM 509 NE ARG A 36 3.848 -7.288 10.343 1.00 0.00 N ATOM 510 CZ ARG A 36 3.761 -6.199 11.058 1.00 0.00 C ATOM 511 NH1 ARG A 36 4.759 -5.358 11.090 1.00 0.00 N ATOM 512 NH2 ARG A 36 2.675 -5.950 11.738 1.00 0.00 N ATOM 0 H ARG A 36 5.471 -5.778 6.278 1.00 0.00 H new ATOM 0 HA ARG A 36 7.043 -8.327 6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.143 -7.495 7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.927 -8.960 7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.728 -7.119 8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.279 -6.133 8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.117 -8.950 9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.885 -7.706 10.851 1.00 0.00 H new ATOM 0 HE ARG A 36 3.002 -7.739 9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.606 -5.552 10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.691 -4.507 11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.895 -6.606 11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.607 -5.099 12.297 1.00 0.00 H new ATOM 526 N ARG A 37 5.747 -9.742 4.964 1.00 0.00 N ATOM 527 CA ARG A 37 5.216 -10.438 3.757 1.00 0.00 C ATOM 528 C ARG A 37 3.929 -11.186 4.110 1.00 0.00 C ATOM 529 O ARG A 37 3.677 -11.499 5.257 1.00 0.00 O ATOM 530 CB ARG A 37 6.311 -11.422 3.351 1.00 0.00 C ATOM 531 CG ARG A 37 7.055 -10.880 2.131 1.00 0.00 C ATOM 532 CD ARG A 37 7.902 -11.994 1.513 1.00 0.00 C ATOM 533 NE ARG A 37 6.976 -13.151 1.371 1.00 0.00 N ATOM 534 CZ ARG A 37 7.452 -14.365 1.332 1.00 0.00 C ATOM 535 NH1 ARG A 37 8.007 -14.815 0.239 1.00 0.00 N ATOM 536 NH2 ARG A 37 7.374 -15.129 2.387 1.00 0.00 N ATOM 0 H ARG A 37 6.260 -10.335 5.616 1.00 0.00 H new ATOM 0 HA ARG A 37 4.975 -9.745 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.006 -11.571 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.875 -12.394 3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.344 -10.500 1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.691 -10.044 2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.307 -11.692 0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.750 -12.244 2.150 1.00 0.00 H new ATOM 0 HE ARG A 37 5.970 -12.995 1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.069 -14.217 -0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.379 -15.764 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.941 -14.777 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.746 -16.078 2.358 1.00 0.00 H new ATOM 550 N ALA A 38 3.114 -11.478 3.135 1.00 0.00 N ATOM 551 CA ALA A 38 1.845 -12.207 3.422 1.00 0.00 C ATOM 552 C ALA A 38 1.722 -13.436 2.518 1.00 0.00 C ATOM 553 O ALA A 38 2.624 -13.767 1.775 1.00 0.00 O ATOM 554 CB ALA A 38 0.735 -11.202 3.119 1.00 0.00 C ATOM 0 H ALA A 38 3.270 -11.245 2.154 1.00 0.00 H new ATOM 0 HA ALA A 38 1.799 -12.567 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.235 -11.663 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.851 -10.328 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.796 -10.897 2.074 1.00 0.00 H new ATOM 560 N SER A 39 0.609 -14.115 2.579 1.00 0.00 N ATOM 561 CA SER A 39 0.423 -15.324 1.727 1.00 0.00 C ATOM 562 C SER A 39 0.514 -14.950 0.244 1.00 0.00 C ATOM 563 O SER A 39 0.812 -15.775 -0.595 1.00 0.00 O ATOM 564 CB SER A 39 -0.977 -15.831 2.065 1.00 0.00 C ATOM 565 OG SER A 39 -1.402 -16.742 1.060 1.00 0.00 O ATOM 0 H SER A 39 -0.180 -13.885 3.183 1.00 0.00 H new ATOM 0 HA SER A 39 1.188 -16.079 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.974 -16.321 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.673 -14.995 2.132 1.00 0.00 H new ATOM 0 HG SER A 39 -2.300 -17.071 1.275 1.00 0.00 H new ATOM 571 N SER A 40 0.258 -13.714 -0.084 1.00 0.00 N ATOM 572 CA SER A 40 0.330 -13.293 -1.513 1.00 0.00 C ATOM 573 C SER A 40 0.037 -11.796 -1.641 1.00 0.00 C ATOM 574 O SER A 40 -0.028 -11.080 -0.662 1.00 0.00 O ATOM 575 CB SER A 40 -0.751 -14.110 -2.218 1.00 0.00 C ATOM 576 OG SER A 40 -0.196 -15.338 -2.667 1.00 0.00 O ATOM 0 H SER A 40 0.002 -12.978 0.574 1.00 0.00 H new ATOM 0 HA SER A 40 1.317 -13.461 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.581 -14.300 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.153 -13.550 -3.062 1.00 0.00 H new ATOM 0 HG SER A 40 0.059 -15.884 -1.894 1.00 0.00 H new ATOM 582 N ASP A 41 -0.143 -11.320 -2.842 1.00 0.00 N ATOM 583 CA ASP A 41 -0.435 -9.870 -3.034 1.00 0.00 C ATOM 584 C ASP A 41 -1.677 -9.473 -2.232 1.00 0.00 C ATOM 585 O ASP A 41 -1.860 -8.326 -1.879 1.00 0.00 O ATOM 586 CB ASP A 41 -0.688 -9.710 -4.533 1.00 0.00 C ATOM 587 CG ASP A 41 0.650 -9.624 -5.271 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.291 -10.653 -5.416 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.011 -8.533 -5.680 1.00 0.00 O ATOM 0 H ASP A 41 -0.101 -11.871 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 41 0.381 -9.234 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.268 -10.554 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.276 -8.812 -4.719 1.00 0.00 H new ATOM 594 N ASN A 42 -2.531 -10.416 -1.941 1.00 0.00 N ATOM 595 CA ASN A 42 -3.759 -10.095 -1.159 1.00 0.00 C ATOM 596 C ASN A 42 -3.475 -10.239 0.339 1.00 0.00 C ATOM 597 O ASN A 42 -3.281 -11.329 0.839 1.00 0.00 O ATOM 598 CB ASN A 42 -4.797 -11.124 -1.611 1.00 0.00 C ATOM 599 CG ASN A 42 -6.054 -11.002 -0.746 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.038 -10.360 0.285 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.151 -11.599 -1.125 1.00 0.00 N ATOM 0 H ASN A 42 -2.432 -11.395 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.103 -9.074 -1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.048 -10.965 -2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.385 -12.130 -1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.994 -11.526 -0.556 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.165 -12.138 -1.991 1.00 0.00 H new ATOM 608 N HIS A 43 -3.448 -9.151 1.061 1.00 0.00 N ATOM 609 CA HIS A 43 -3.175 -9.243 2.525 1.00 0.00 C ATOM 610 C HIS A 43 -3.928 -8.155 3.289 1.00 0.00 C ATOM 611 O HIS A 43 -4.693 -7.396 2.724 1.00 0.00 O ATOM 612 CB HIS A 43 -1.661 -9.055 2.683 1.00 0.00 C ATOM 613 CG HIS A 43 -1.139 -8.039 1.696 1.00 0.00 C ATOM 614 ND1 HIS A 43 -0.986 -6.697 2.016 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.693 -8.168 0.406 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.459 -6.079 0.938 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.266 -6.932 -0.072 1.00 0.00 N ATOM 0 H HIS A 43 -3.602 -8.208 0.704 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.507 -10.200 2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.435 -8.731 3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.154 -10.008 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.676 -9.090 -0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.223 -5.026 0.897 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.113 -6.723 -0.996 1.00 0.00 H new ATOM 625 N SER A 44 -3.711 -8.076 4.574 1.00 0.00 N ATOM 626 CA SER A 44 -4.406 -7.040 5.389 1.00 0.00 C ATOM 627 C SER A 44 -3.621 -5.728 5.332 1.00 0.00 C ATOM 628 O SER A 44 -2.437 -5.691 5.602 1.00 0.00 O ATOM 629 CB SER A 44 -4.420 -7.593 6.816 1.00 0.00 C ATOM 630 OG SER A 44 -4.142 -8.986 6.786 1.00 0.00 O ATOM 0 H SER A 44 -3.081 -8.686 5.095 1.00 0.00 H new ATOM 0 HA SER A 44 -5.413 -6.833 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.678 -7.076 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.391 -7.415 7.277 1.00 0.00 H new ATOM 0 HG SER A 44 -4.879 -9.457 6.345 1.00 0.00 H new ATOM 636 N CYS A 45 -4.265 -4.653 4.978 1.00 0.00 N ATOM 637 CA CYS A 45 -3.544 -3.349 4.900 1.00 0.00 C ATOM 638 C CYS A 45 -4.294 -2.271 5.685 1.00 0.00 C ATOM 639 O CYS A 45 -5.409 -2.467 6.145 1.00 0.00 O ATOM 640 CB CYS A 45 -3.480 -2.992 3.410 1.00 0.00 C ATOM 641 SG CYS A 45 -5.011 -3.483 2.576 1.00 0.00 S ATOM 0 H CYS A 45 -5.256 -4.618 4.740 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.547 -3.417 5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.323 -1.920 3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.629 -3.492 2.946 1.00 0.00 H new ATOM 646 N ALA A 46 -3.681 -1.132 5.853 1.00 0.00 N ATOM 647 CA ALA A 46 -4.338 -0.041 6.623 1.00 0.00 C ATOM 648 C ALA A 46 -4.695 -0.560 8.015 1.00 0.00 C ATOM 649 O ALA A 46 -5.673 -0.157 8.610 1.00 0.00 O ATOM 650 CB ALA A 46 -5.603 0.306 5.835 1.00 0.00 C ATOM 0 H ALA A 46 -2.754 -0.910 5.490 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.699 0.833 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.141 1.106 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.329 0.634 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.242 -0.575 5.766 1.00 0.00 H new ATOM 656 N GLY A 47 -3.909 -1.467 8.531 1.00 0.00 N ATOM 657 CA GLY A 47 -4.206 -2.031 9.875 1.00 0.00 C ATOM 658 C GLY A 47 -5.494 -2.847 9.785 1.00 0.00 C ATOM 659 O GLY A 47 -5.767 -3.480 8.785 1.00 0.00 O ATOM 0 H GLY A 47 -3.075 -1.840 8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.382 -2.660 10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.315 -1.230 10.606 1.00 0.00 H new ATOM 663 N ASN A 48 -6.295 -2.832 10.810 1.00 0.00 N ATOM 664 CA ASN A 48 -7.566 -3.597 10.764 1.00 0.00 C ATOM 665 C ASN A 48 -8.671 -2.733 10.149 1.00 0.00 C ATOM 666 O ASN A 48 -9.819 -2.809 10.536 1.00 0.00 O ATOM 667 CB ASN A 48 -7.886 -3.927 12.222 1.00 0.00 C ATOM 668 CG ASN A 48 -7.889 -5.445 12.416 1.00 0.00 C ATOM 669 OD1 ASN A 48 -8.354 -6.177 11.565 1.00 0.00 O ATOM 670 ND2 ASN A 48 -7.385 -5.950 13.508 1.00 0.00 N ATOM 0 H ASN A 48 -6.124 -2.323 11.677 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.488 -4.498 10.156 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.148 -3.468 12.880 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.857 -3.514 12.494 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.381 -6.960 13.648 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.995 -5.335 14.222 1.00 0.00 H new ATOM 677 N ARG A 49 -8.328 -1.898 9.202 1.00 0.00 N ATOM 678 CA ARG A 49 -9.355 -1.019 8.578 1.00 0.00 C ATOM 679 C ARG A 49 -9.587 -1.386 7.112 1.00 0.00 C ATOM 680 O ARG A 49 -10.695 -1.305 6.618 1.00 0.00 O ATOM 681 CB ARG A 49 -8.773 0.389 8.685 1.00 0.00 C ATOM 682 CG ARG A 49 -9.062 0.952 10.075 1.00 0.00 C ATOM 683 CD ARG A 49 -9.929 2.206 9.950 1.00 0.00 C ATOM 684 NE ARG A 49 -9.680 2.973 11.202 1.00 0.00 N ATOM 685 CZ ARG A 49 -8.731 3.867 11.241 1.00 0.00 C ATOM 686 NH1 ARG A 49 -8.942 5.062 10.760 1.00 0.00 N ATOM 687 NH2 ARG A 49 -7.571 3.568 11.758 1.00 0.00 N ATOM 0 H ARG A 49 -7.382 -1.789 8.836 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.322 -1.115 9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.698 0.365 8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.208 1.034 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.572 0.204 10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.128 1.192 10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.656 2.788 9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.983 1.948 9.848 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.251 2.799 12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.848 5.296 10.354 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.201 5.762 10.790 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.405 2.634 12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.830 4.268 11.788 1.00 0.00 H new ATOM 701 N GLY A 50 -8.566 -1.775 6.401 1.00 0.00 N ATOM 702 CA GLY A 50 -8.771 -2.121 4.967 1.00 0.00 C ATOM 703 C GLY A 50 -8.125 -3.468 4.646 1.00 0.00 C ATOM 704 O GLY A 50 -7.252 -3.938 5.349 1.00 0.00 O ATOM 0 H GLY A 50 -7.610 -1.868 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.837 -2.160 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.341 -1.345 4.334 1.00 0.00 H new ATOM 708 N TRP A 51 -8.547 -4.084 3.577 1.00 0.00 N ATOM 709 CA TRP A 51 -7.967 -5.397 3.180 1.00 0.00 C ATOM 710 C TRP A 51 -7.606 -5.343 1.697 1.00 0.00 C ATOM 711 O TRP A 51 -7.881 -4.369 1.031 1.00 0.00 O ATOM 712 CB TRP A 51 -9.082 -6.413 3.429 1.00 0.00 C ATOM 713 CG TRP A 51 -8.896 -7.047 4.770 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.591 -6.725 5.885 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.973 -8.105 5.153 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.152 -7.518 6.930 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.155 -8.386 6.528 1.00 0.00 C ATOM 718 CE3 TRP A 51 -7.005 -8.842 4.449 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.403 -9.363 7.182 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.245 -9.826 5.103 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.444 -10.086 6.466 1.00 0.00 C ATOM 0 H TRP A 51 -9.275 -3.731 2.956 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.064 -5.655 3.734 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.053 -5.921 3.380 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.072 -7.176 2.651 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.362 -5.972 5.949 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.519 -7.468 7.880 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.844 -8.651 3.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.560 -9.559 8.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.503 -10.385 4.552 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.857 -10.844 6.963 1.00 0.00 H new ATOM 732 N CYS A 52 -6.995 -6.363 1.164 1.00 0.00 N ATOM 733 CA CYS A 52 -6.635 -6.316 -0.282 1.00 0.00 C ATOM 734 C CYS A 52 -7.327 -7.437 -1.063 1.00 0.00 C ATOM 735 O CYS A 52 -7.090 -8.607 -0.841 1.00 0.00 O ATOM 736 CB CYS A 52 -5.121 -6.481 -0.319 1.00 0.00 C ATOM 737 SG CYS A 52 -4.380 -4.885 -0.689 1.00 0.00 S ATOM 0 H CYS A 52 -6.732 -7.216 1.657 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.956 -5.384 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.757 -6.854 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.838 -7.214 -1.075 1.00 0.00 H new ATOM 742 N ARG A 53 -8.180 -7.075 -1.985 1.00 0.00 N ATOM 743 CA ARG A 53 -8.894 -8.100 -2.802 1.00 0.00 C ATOM 744 C ARG A 53 -8.797 -7.729 -4.283 1.00 0.00 C ATOM 745 O ARG A 53 -8.363 -6.649 -4.630 1.00 0.00 O ATOM 746 CB ARG A 53 -10.357 -8.043 -2.349 1.00 0.00 C ATOM 747 CG ARG A 53 -10.442 -7.857 -0.834 1.00 0.00 C ATOM 748 CD ARG A 53 -10.921 -6.437 -0.536 1.00 0.00 C ATOM 749 NE ARG A 53 -10.677 -6.244 0.919 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.666 -6.342 1.766 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.041 -7.514 2.198 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.280 -5.267 2.178 1.00 0.00 N ATOM 0 H ARG A 53 -8.414 -6.108 -2.208 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.469 -9.095 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.868 -7.221 -2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.869 -8.961 -2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.129 -8.585 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.467 -8.030 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.374 -5.704 -1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.977 -6.318 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.737 -6.035 1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.562 -8.354 1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.814 -7.590 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.987 -4.351 1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.053 -5.343 2.840 1.00 0.00 H new ATOM 766 N SER A 54 -9.211 -8.601 -5.160 1.00 0.00 N ATOM 767 CA SER A 54 -9.148 -8.268 -6.612 1.00 0.00 C ATOM 768 C SER A 54 -9.901 -6.961 -6.862 1.00 0.00 C ATOM 769 O SER A 54 -9.418 -6.063 -7.521 1.00 0.00 O ATOM 770 CB SER A 54 -9.838 -9.433 -7.321 1.00 0.00 C ATOM 771 OG SER A 54 -11.192 -9.087 -7.582 1.00 0.00 O ATOM 0 H SER A 54 -9.587 -9.523 -4.938 1.00 0.00 H new ATOM 0 HA SER A 54 -8.128 -8.133 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.323 -9.663 -8.254 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.792 -10.329 -6.702 1.00 0.00 H new ATOM 0 HG SER A 54 -11.638 -9.831 -8.038 1.00 0.00 H new ATOM 777 N LYS A 55 -11.083 -6.855 -6.327 1.00 0.00 N ATOM 778 CA LYS A 55 -11.889 -5.621 -6.506 1.00 0.00 C ATOM 779 C LYS A 55 -12.495 -5.219 -5.151 1.00 0.00 C ATOM 780 O LYS A 55 -12.330 -5.907 -4.165 1.00 0.00 O ATOM 781 CB LYS A 55 -12.963 -6.028 -7.530 1.00 0.00 C ATOM 782 CG LYS A 55 -14.347 -5.525 -7.107 1.00 0.00 C ATOM 783 CD LYS A 55 -15.411 -6.108 -8.040 1.00 0.00 C ATOM 784 CE LYS A 55 -16.730 -5.356 -7.848 1.00 0.00 C ATOM 785 NZ LYS A 55 -17.660 -5.950 -8.848 1.00 0.00 N ATOM 0 H LYS A 55 -11.529 -7.581 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.321 -4.758 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.709 -5.622 -8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.982 -7.113 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.552 -5.817 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.376 -4.436 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.083 -6.029 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.551 -7.168 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.110 -5.478 -6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.602 -4.286 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.588 -5.485 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.275 -5.813 -9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.767 -6.967 -8.661 1.00 0.00 H new ATOM 799 N CYS A 56 -13.194 -4.118 -5.092 1.00 0.00 N ATOM 800 CA CYS A 56 -13.800 -3.695 -3.795 1.00 0.00 C ATOM 801 C CYS A 56 -15.325 -3.622 -3.919 1.00 0.00 C ATOM 802 O CYS A 56 -15.881 -3.819 -4.981 1.00 0.00 O ATOM 803 CB CYS A 56 -13.215 -2.311 -3.508 1.00 0.00 C ATOM 804 SG CYS A 56 -11.424 -2.351 -3.761 1.00 0.00 S ATOM 0 H CYS A 56 -13.372 -3.496 -5.880 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.582 -4.400 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.670 -1.569 -4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.442 -2.013 -2.484 1.00 0.00 H new ATOM 809 N PHE A 57 -16.004 -3.343 -2.838 1.00 0.00 N ATOM 810 CA PHE A 57 -17.492 -3.261 -2.893 1.00 0.00 C ATOM 811 C PHE A 57 -17.927 -1.909 -3.463 1.00 0.00 C ATOM 812 O PHE A 57 -17.113 -1.102 -3.865 1.00 0.00 O ATOM 813 CB PHE A 57 -17.953 -3.407 -1.443 1.00 0.00 C ATOM 814 CG PHE A 57 -17.835 -4.852 -1.018 1.00 0.00 C ATOM 815 CD1 PHE A 57 -16.628 -5.329 -0.490 1.00 0.00 C ATOM 816 CD2 PHE A 57 -18.928 -5.714 -1.154 1.00 0.00 C ATOM 817 CE1 PHE A 57 -16.518 -6.669 -0.098 1.00 0.00 C ATOM 818 CE2 PHE A 57 -18.818 -7.054 -0.761 1.00 0.00 C ATOM 819 CZ PHE A 57 -17.612 -7.530 -0.234 1.00 0.00 C ATOM 0 H PHE A 57 -15.593 -3.169 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.924 -4.029 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.348 -2.775 -0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.985 -3.071 -1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.783 -4.664 -0.385 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -19.858 -5.346 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.588 -7.038 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.663 -7.719 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.526 -8.563 0.068 1.00 0.00 H new ATOM 829 N ARG A 58 -19.208 -1.656 -3.508 1.00 0.00 N ATOM 830 CA ARG A 58 -19.692 -0.363 -4.057 1.00 0.00 C ATOM 831 C ARG A 58 -19.617 0.732 -2.993 1.00 0.00 C ATOM 832 O ARG A 58 -19.260 1.860 -3.274 1.00 0.00 O ATOM 833 CB ARG A 58 -21.144 -0.624 -4.463 1.00 0.00 C ATOM 834 CG ARG A 58 -21.494 0.218 -5.692 1.00 0.00 C ATOM 835 CD ARG A 58 -22.095 -0.684 -6.774 1.00 0.00 C ATOM 836 NE ARG A 58 -23.524 -0.275 -6.867 1.00 0.00 N ATOM 837 CZ ARG A 58 -24.416 -1.116 -7.315 1.00 0.00 C ATOM 838 NH1 ARG A 58 -24.219 -1.737 -8.447 1.00 0.00 N ATOM 839 NH2 ARG A 58 -25.507 -1.336 -6.633 1.00 0.00 N ATOM 0 H ARG A 58 -19.938 -2.292 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.089 -0.022 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.286 -1.682 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.813 -0.377 -3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -22.203 1.000 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.601 0.715 -6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -21.584 -0.551 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.002 -1.737 -6.507 1.00 0.00 H new ATOM 0 HE ARG A 58 -23.806 0.663 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -23.368 -1.565 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -24.917 -2.394 -8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -25.663 -0.851 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -26.204 -1.993 -6.984 1.00 0.00 H new ATOM 853 N HIS A 59 -19.949 0.414 -1.774 1.00 0.00 N ATOM 854 CA HIS A 59 -19.893 1.441 -0.698 1.00 0.00 C ATOM 855 C HIS A 59 -18.450 1.634 -0.226 1.00 0.00 C ATOM 856 O HIS A 59 -18.191 2.328 0.737 1.00 0.00 O ATOM 857 CB HIS A 59 -20.757 0.876 0.429 1.00 0.00 C ATOM 858 CG HIS A 59 -20.233 -0.473 0.839 1.00 0.00 C ATOM 859 ND1 HIS A 59 -20.702 -1.649 0.277 1.00 0.00 N ATOM 860 CD2 HIS A 59 -19.280 -0.847 1.753 1.00 0.00 C ATOM 861 CE1 HIS A 59 -20.037 -2.667 0.854 1.00 0.00 C ATOM 862 NE2 HIS A 59 -19.157 -2.233 1.761 1.00 0.00 N ATOM 0 H HIS A 59 -20.256 -0.512 -1.476 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.248 2.415 -1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.749 1.555 1.282 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -21.792 0.790 0.099 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -18.712 -0.169 2.372 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -20.195 -3.708 0.613 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -18.530 -2.796 2.335 1.00 0.00 H new ATOM 870 N GLU A 60 -17.503 1.023 -0.891 1.00 0.00 N ATOM 871 CA GLU A 60 -16.084 1.178 -0.467 1.00 0.00 C ATOM 872 C GLU A 60 -15.230 1.690 -1.629 1.00 0.00 C ATOM 873 O GLU A 60 -15.736 2.070 -2.667 1.00 0.00 O ATOM 874 CB GLU A 60 -15.645 -0.228 -0.065 1.00 0.00 C ATOM 875 CG GLU A 60 -15.932 -0.446 1.420 1.00 0.00 C ATOM 876 CD GLU A 60 -14.980 -1.507 1.974 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.744 -2.484 1.281 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.502 -1.326 3.082 1.00 0.00 O ATOM 0 H GLU A 60 -17.652 0.427 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.972 1.896 0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.175 -0.971 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.581 -0.359 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.808 0.489 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.966 -0.762 1.559 1.00 0.00 H new ATOM 885 N TYR A 61 -13.935 1.693 -1.464 1.00 0.00 N ATOM 886 CA TYR A 61 -13.042 2.169 -2.559 1.00 0.00 C ATOM 887 C TYR A 61 -11.683 1.485 -2.454 1.00 0.00 C ATOM 888 O TYR A 61 -11.536 0.470 -1.808 1.00 0.00 O ATOM 889 CB TYR A 61 -12.892 3.678 -2.345 1.00 0.00 C ATOM 890 CG TYR A 61 -12.015 3.944 -1.142 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.421 3.516 0.127 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.797 4.625 -1.292 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.616 3.763 1.244 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.993 4.873 -0.172 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.402 4.443 1.095 1.00 0.00 C ATOM 896 OH TYR A 61 -9.608 4.687 2.198 1.00 0.00 O ATOM 0 H TYR A 61 -13.456 1.386 -0.617 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.450 1.942 -3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.456 4.138 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.872 4.132 -2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.359 2.993 0.244 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.480 4.957 -2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.931 3.429 2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.056 5.397 -0.287 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.801 5.168 1.920 1.00 0.00 H new ATOM 906 N VAL A 62 -10.692 2.046 -3.080 1.00 0.00 N ATOM 907 CA VAL A 62 -9.328 1.447 -3.020 1.00 0.00 C ATOM 908 C VAL A 62 -8.348 2.486 -2.477 1.00 0.00 C ATOM 909 O VAL A 62 -7.905 3.354 -3.197 1.00 0.00 O ATOM 910 CB VAL A 62 -8.993 1.092 -4.472 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.508 0.737 -4.594 1.00 0.00 C ATOM 912 CG2 VAL A 62 -9.837 -0.105 -4.912 1.00 0.00 C ATOM 0 H VAL A 62 -10.765 2.899 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.272 0.574 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.211 1.950 -5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.278 0.486 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.903 1.590 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.284 -0.117 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.599 -0.358 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.620 -0.959 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.895 0.147 -4.835 1.00 0.00 H new ATOM 922 N ASP A 63 -8.015 2.417 -1.213 1.00 0.00 N ATOM 923 CA ASP A 63 -7.072 3.421 -0.643 1.00 0.00 C ATOM 924 C ASP A 63 -5.807 3.493 -1.501 1.00 0.00 C ATOM 925 O ASP A 63 -4.840 2.794 -1.274 1.00 0.00 O ATOM 926 CB ASP A 63 -6.759 2.930 0.773 1.00 0.00 C ATOM 927 CG ASP A 63 -6.211 1.508 0.722 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.995 1.014 -0.370 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.015 0.938 1.782 1.00 0.00 O ATOM 0 H ASP A 63 -8.353 1.713 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.495 4.426 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.032 3.592 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.661 2.959 1.385 1.00 0.00 H new ATOM 934 N THR A 64 -5.820 4.334 -2.496 1.00 0.00 N ATOM 935 CA THR A 64 -4.633 4.459 -3.393 1.00 0.00 C ATOM 936 C THR A 64 -3.332 4.435 -2.587 1.00 0.00 C ATOM 937 O THR A 64 -2.286 4.075 -3.091 1.00 0.00 O ATOM 938 CB THR A 64 -4.809 5.810 -4.087 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.584 6.668 -3.262 1.00 0.00 O ATOM 940 CG2 THR A 64 -5.517 5.610 -5.428 1.00 0.00 C ATOM 0 H THR A 64 -6.604 4.944 -2.729 1.00 0.00 H new ATOM 0 HA THR A 64 -4.570 3.633 -4.102 1.00 0.00 H new ATOM 0 HB THR A 64 -3.831 6.259 -4.260 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.696 7.535 -3.705 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.642 6.574 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.920 4.953 -6.061 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.495 5.160 -5.259 1.00 0.00 H new ATOM 948 N TYR A 65 -3.381 4.822 -1.343 1.00 0.00 N ATOM 949 CA TYR A 65 -2.141 4.827 -0.513 1.00 0.00 C ATOM 950 C TYR A 65 -1.632 3.400 -0.287 1.00 0.00 C ATOM 951 O TYR A 65 -0.481 3.097 -0.532 1.00 0.00 O ATOM 952 CB TYR A 65 -2.562 5.456 0.815 1.00 0.00 C ATOM 953 CG TYR A 65 -1.334 5.895 1.575 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.812 7.179 1.379 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.716 5.018 2.474 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.327 7.587 2.084 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.423 5.425 3.179 1.00 0.00 C ATOM 958 CZ TYR A 65 0.944 6.709 2.984 1.00 0.00 C ATOM 959 OH TYR A 65 2.066 7.112 3.679 1.00 0.00 O ATOM 0 H TYR A 65 -4.225 5.135 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.331 5.375 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.216 6.309 0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.131 4.738 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.288 7.855 0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.118 4.027 2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.729 8.578 1.934 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.899 4.748 3.873 1.00 0.00 H new ATOM 0 HH TYR A 65 2.369 6.385 4.262 1.00 0.00 H new ATOM 969 N TYR A 66 -2.473 2.528 0.195 1.00 0.00 N ATOM 970 CA TYR A 66 -2.027 1.126 0.455 1.00 0.00 C ATOM 971 C TYR A 66 -2.085 0.285 -0.825 1.00 0.00 C ATOM 972 O TYR A 66 -1.555 -0.810 -0.884 1.00 0.00 O ATOM 973 CB TYR A 66 -3.001 0.593 1.504 1.00 0.00 C ATOM 974 CG TYR A 66 -2.471 0.931 2.877 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.559 0.074 3.505 1.00 0.00 C ATOM 976 CD2 TYR A 66 -2.880 2.108 3.516 1.00 0.00 C ATOM 977 CE1 TYR A 66 -1.057 0.394 4.772 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.379 2.426 4.783 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.467 1.570 5.411 1.00 0.00 C ATOM 980 OH TYR A 66 -0.971 1.884 6.660 1.00 0.00 O ATOM 0 H TYR A 66 -3.449 2.723 0.421 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.993 1.083 0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.988 1.034 1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.116 -0.486 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.243 -0.834 3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.582 2.770 3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.353 -0.267 5.257 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.696 3.333 5.277 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.356 2.734 6.961 1.00 0.00 H new ATOM 990 N SER A 67 -2.705 0.788 -1.855 1.00 0.00 N ATOM 991 CA SER A 67 -2.770 0.012 -3.126 1.00 0.00 C ATOM 992 C SER A 67 -1.380 -0.536 -3.458 1.00 0.00 C ATOM 993 O SER A 67 -1.237 -1.523 -4.153 1.00 0.00 O ATOM 994 CB SER A 67 -3.217 1.020 -4.184 1.00 0.00 C ATOM 995 OG SER A 67 -2.861 0.538 -5.473 1.00 0.00 O ATOM 0 H SER A 67 -3.167 1.697 -1.873 1.00 0.00 H new ATOM 0 HA SER A 67 -3.451 -0.837 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.295 1.172 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.748 1.987 -4.003 1.00 0.00 H new ATOM 0 HG SER A 67 -3.148 1.182 -6.154 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.353 0.102 -2.963 1.00 0.00 N ATOM 1002 CA ALA A 68 1.033 -0.372 -3.241 1.00 0.00 C ATOM 1003 C ALA A 68 1.284 -1.724 -2.568 1.00 0.00 C ATOM 1004 O ALA A 68 1.382 -2.741 -3.227 1.00 0.00 O ATOM 1005 CB ALA A 68 1.945 0.701 -2.645 1.00 0.00 C ATOM 0 H ALA A 68 -0.415 0.934 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 68 1.211 -0.515 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.987 0.425 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.743 1.658 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.756 0.786 -1.575 1.00 0.00 H new ATOM 1011 N VAL A 69 1.396 -1.749 -1.261 1.00 0.00 N ATOM 1012 CA VAL A 69 1.646 -3.046 -0.562 1.00 0.00 C ATOM 1013 C VAL A 69 0.774 -4.135 -1.182 1.00 0.00 C ATOM 1014 O VAL A 69 1.123 -5.299 -1.184 1.00 0.00 O ATOM 1015 CB VAL A 69 1.266 -2.807 0.906 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.243 -2.632 1.042 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.707 -3.996 1.757 1.00 0.00 C ATOM 0 H VAL A 69 1.325 -0.933 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 69 2.682 -3.372 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 69 1.767 -1.901 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.497 -2.463 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.565 -1.777 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.747 -3.531 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.434 -3.820 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.214 -4.901 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.788 -4.117 1.681 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.352 -3.761 -1.719 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.248 -4.768 -2.353 1.00 0.00 C ATOM 1029 C CYS A 70 -0.559 -5.398 -3.566 1.00 0.00 C ATOM 1030 O CYS A 70 -0.196 -6.557 -3.554 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.479 -3.975 -2.784 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.938 -5.016 -2.645 1.00 0.00 S ATOM 0 H CYS A 70 -0.692 -2.800 -1.747 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.503 -5.584 -1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.591 -3.088 -2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.362 -3.630 -3.811 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.376 -4.644 -4.616 1.00 0.00 N ATOM 1038 CA GLY A 71 0.287 -5.200 -5.828 1.00 0.00 C ATOM 1039 C GLY A 71 -0.764 -5.475 -6.904 1.00 0.00 C ATOM 1040 O GLY A 71 -1.458 -4.582 -7.349 1.00 0.00 O ATOM 0 H GLY A 71 -0.658 -3.666 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.031 -4.497 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.815 -6.120 -5.577 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.890 -6.704 -7.326 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.900 -7.033 -8.372 1.00 0.00 C ATOM 1046 C ARG A 72 -3.310 -6.735 -7.852 1.00 0.00 C ATOM 1047 O ARG A 72 -4.214 -6.452 -8.612 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.728 -8.529 -8.636 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.370 -8.752 -10.107 1.00 0.00 C ATOM 1050 CD ARG A 72 -2.565 -9.372 -10.837 1.00 0.00 C ATOM 1051 NE ARG A 72 -2.181 -10.793 -11.064 1.00 0.00 N ATOM 1052 CZ ARG A 72 -2.765 -11.484 -12.004 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -2.985 -10.942 -13.171 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -3.128 -12.717 -11.778 1.00 0.00 N ATOM 0 H ARG A 72 -0.338 -7.494 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.764 -6.444 -9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.945 -8.934 -7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.648 -9.060 -8.390 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.097 -7.805 -10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.503 -9.408 -10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.474 -9.299 -10.240 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.761 -8.860 -11.779 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.462 -11.226 -10.485 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.700 -9.979 -13.348 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.442 -11.482 -13.906 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.955 -13.141 -10.866 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.585 -13.257 -12.513 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.501 -6.796 -6.563 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.850 -6.513 -5.994 1.00 0.00 C ATOM 1070 C TYR A 73 -4.908 -5.082 -5.460 1.00 0.00 C ATOM 1071 O TYR A 73 -3.927 -4.365 -5.467 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.017 -7.507 -4.844 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.048 -8.915 -5.385 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -3.901 -9.465 -5.967 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -6.222 -9.671 -5.296 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -3.929 -10.773 -6.465 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -6.250 -10.980 -5.792 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.103 -11.531 -6.377 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.131 -12.821 -6.866 1.00 0.00 O ATOM 0 H TYR A 73 -2.782 -7.030 -5.879 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.637 -6.613 -6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.196 -7.398 -4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.938 -7.296 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.995 -8.881 -6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.106 -9.245 -4.845 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.045 -11.198 -6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.156 -11.564 -5.724 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.021 -13.205 -6.724 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.048 -4.665 -4.982 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.165 -3.286 -4.431 1.00 0.00 C ATOM 1091 C PHE A 74 -6.604 -3.344 -2.973 1.00 0.00 C ATOM 1092 O PHE A 74 -7.480 -4.103 -2.608 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.245 -2.598 -5.262 1.00 0.00 C ATOM 1094 CG PHE A 74 -6.981 -2.810 -6.727 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.317 -4.027 -7.325 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.410 -1.787 -7.489 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.082 -4.224 -8.689 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.175 -1.981 -8.853 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.510 -3.200 -9.455 1.00 0.00 C ATOM 0 H PHE A 74 -6.903 -5.220 -4.949 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.215 -2.754 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.225 -2.996 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.263 -1.531 -5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.758 -4.816 -6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.151 -0.847 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.341 -5.165 -9.152 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.735 -1.191 -9.443 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.328 -3.351 -10.509 1.00 0.00 H new ATOM 1109 N CYS A 75 -6.022 -2.538 -2.136 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.434 -2.544 -0.710 1.00 0.00 C ATOM 1111 C CYS A 75 -7.726 -1.739 -0.566 1.00 0.00 C ATOM 1112 O CYS A 75 -7.710 -0.523 -0.551 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.288 -1.870 0.041 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.713 -1.761 1.796 1.00 0.00 S ATOM 0 H CYS A 75 -5.282 -1.878 -2.376 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.623 -3.546 -0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.368 -2.439 -0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -5.107 -0.875 -0.364 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.851 -2.394 -0.479 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.123 -1.633 -0.361 1.00 0.00 C ATOM 1121 C CYS A 76 -10.318 -1.155 1.075 1.00 0.00 C ATOM 1122 O CYS A 76 -9.713 -1.659 2.000 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.233 -2.606 -0.763 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.742 -3.507 -2.254 1.00 0.00 S ATOM 0 H CYS A 76 -8.943 -3.410 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.125 -0.747 -0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.428 -3.306 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.160 -2.061 -0.944 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.154 -0.178 1.262 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.388 0.349 2.635 1.00 0.00 C ATOM 1131 C ARG A 77 -12.714 1.107 2.691 1.00 0.00 C ATOM 1132 O ARG A 77 -13.364 1.322 1.687 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.217 1.297 2.894 1.00 0.00 C ATOM 1134 CG ARG A 77 -9.733 1.126 4.331 1.00 0.00 C ATOM 1135 CD ARG A 77 -9.986 2.420 5.106 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.632 2.960 5.385 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.491 4.046 6.094 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -9.527 4.802 6.340 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -7.318 4.377 6.557 1.00 0.00 N ATOM 0 H ARG A 77 -11.688 0.281 0.524 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.446 -0.444 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.405 1.088 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.525 2.328 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.255 0.296 4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.670 0.883 4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.580 3.122 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.534 2.229 6.028 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.809 2.480 5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.445 4.543 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.418 5.651 6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.509 3.787 6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.210 5.226 7.111 1.00 0.00 H new ATOM 1153 N SER A 78 -13.119 1.515 3.861 1.00 0.00 N ATOM 1154 CA SER A 78 -14.402 2.262 3.987 1.00 0.00 C ATOM 1155 C SER A 78 -14.128 3.755 4.177 1.00 0.00 C ATOM 1156 O SER A 78 -13.599 4.175 5.187 1.00 0.00 O ATOM 1157 CB SER A 78 -15.082 1.679 5.225 1.00 0.00 C ATOM 1158 OG SER A 78 -14.646 2.388 6.377 1.00 0.00 O ATOM 0 H SER A 78 -12.617 1.364 4.736 1.00 0.00 H new ATOM 0 HA SER A 78 -15.025 2.165 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.165 1.751 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.841 0.620 5.322 1.00 0.00 H new ATOM 0 HG SER A 78 -13.796 2.835 6.183 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.484 4.560 3.215 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.242 6.026 3.343 1.00 0.00 C ATOM 1166 C ARG A 79 -15.377 6.683 4.135 1.00 0.00 C ATOM 1167 O ARG A 79 -16.177 5.955 4.699 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.216 6.551 1.907 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.382 7.833 1.848 1.00 0.00 C ATOM 1170 CD ARG A 79 -12.399 7.749 0.678 1.00 0.00 C ATOM 1171 NE ARG A 79 -11.937 9.149 0.464 1.00 0.00 N ATOM 1172 CZ ARG A 79 -12.749 10.034 -0.047 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -13.053 9.985 -1.316 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -13.256 10.969 0.708 1.00 0.00 N ATOM 1175 OXT ARG A 79 -15.426 7.902 4.161 1.00 0.00 O ATOM 0 H ARG A 79 -14.932 4.268 2.346 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.316 6.246 3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.794 5.799 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.231 6.748 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.034 8.698 1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.840 7.970 2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.564 7.089 0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.881 7.351 -0.215 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.986 9.416 0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.656 9.255 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.688 10.676 -1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.018 11.009 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.890 11.660 0.307 1.00 0.00 H new