USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 637 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 70 ASN : amide:sc= 1.75 K(o=1.4,f=-9!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.37 USER MOD Set 2.1: A 37 HIS :FLIP no HE2:sc= -0.355 F(o=-5.7,f=-4.3) USER MOD Set 2.2: A 48 HIS :FLIP no HD1:sc= -3.9! C(o=-4.6!,f=-4.3!) USER MOD Single : A 7 SER OG : rot 33:sc= -0.133 USER MOD Single : A 8 MET CE :methyl -119:sc= -0.962 (180deg=-3.51!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.403 USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.932) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 55 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.075) USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -0.549 (180deg=-2.48!) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= -0.0186 (180deg=-0.144) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 14:sc= 0.155 USER MOD Single : A 69 GLN : amide:sc= -0.104 K(o=-0.1,f=-8.3!) USER MOD Single : A 76 TYR OH : rot 165:sc= -0.503 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.1) USER MOD Single : A 93 SER OG : rot 177:sc= 0.289 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 158:sc= -0.0889 (180deg=-0.491) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.271 -6.417 -4.795 1.00 0.00 N ATOM 70 CA SER A 7 -16.088 -5.636 -4.889 1.00 0.00 C ATOM 71 C SER A 7 -15.947 -4.652 -3.741 1.00 0.00 C ATOM 72 O SER A 7 -16.851 -3.863 -3.429 1.00 0.00 O ATOM 73 CB SER A 7 -15.982 -5.013 -6.248 1.00 0.00 C ATOM 74 OG SER A 7 -16.282 -5.975 -7.251 1.00 0.00 O ATOM 0 HA SER A 7 -15.228 -6.297 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.669 -4.170 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.977 -4.620 -6.399 1.00 0.00 H new ATOM 0 HG SER A 7 -16.958 -6.600 -6.914 1.00 0.00 H new ATOM 80 N MET A 8 -14.817 -4.725 -3.134 1.00 0.00 N ATOM 81 CA MET A 8 -14.518 -4.001 -1.936 1.00 0.00 C ATOM 82 C MET A 8 -13.471 -2.989 -2.156 1.00 0.00 C ATOM 83 O MET A 8 -12.501 -3.248 -2.839 1.00 0.00 O ATOM 84 CB MET A 8 -14.038 -4.945 -0.889 1.00 0.00 C ATOM 85 CG MET A 8 -14.988 -6.058 -0.624 1.00 0.00 C ATOM 86 SD MET A 8 -14.550 -7.033 0.771 1.00 0.00 S ATOM 87 CE MET A 8 -15.824 -8.239 0.665 1.00 0.00 C ATOM 0 H MET A 8 -14.046 -5.307 -3.462 1.00 0.00 H new ATOM 0 HA MET A 8 -15.433 -3.499 -1.622 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.078 -5.360 -1.196 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.866 -4.395 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.985 -5.646 -0.471 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.040 -6.699 -1.504 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.432 -8.206 1.569 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.451 -8.031 -0.202 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.380 -9.229 0.562 1.00 0.00 H new ATOM 97 N LYS A 9 -13.659 -1.836 -1.588 1.00 0.00 N ATOM 98 CA LYS A 9 -12.678 -0.800 -1.676 1.00 0.00 C ATOM 99 C LYS A 9 -11.831 -0.846 -0.401 1.00 0.00 C ATOM 100 O LYS A 9 -12.144 -0.223 0.620 1.00 0.00 O ATOM 101 CB LYS A 9 -13.335 0.557 -1.906 1.00 0.00 C ATOM 102 CG LYS A 9 -12.401 1.664 -2.243 1.00 0.00 C ATOM 103 CD LYS A 9 -13.169 2.935 -2.486 1.00 0.00 C ATOM 104 CE LYS A 9 -12.312 3.944 -3.185 1.00 0.00 C ATOM 105 NZ LYS A 9 -13.061 5.164 -3.565 1.00 0.00 N ATOM 0 H LYS A 9 -14.492 -1.589 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.026 -0.956 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.062 0.459 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.889 0.831 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.690 1.810 -1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.823 1.405 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.053 2.723 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.519 3.342 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.481 4.220 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.882 3.493 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.421 5.829 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.839 4.908 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.449 5.613 -2.711 1.00 0.00 H new ATOM 119 N ILE A 10 -10.783 -1.609 -0.490 1.00 0.00 N ATOM 120 CA ILE A 10 -9.945 -1.936 0.607 1.00 0.00 C ATOM 121 C ILE A 10 -8.707 -1.093 0.590 1.00 0.00 C ATOM 122 O ILE A 10 -8.119 -0.867 -0.470 1.00 0.00 O ATOM 123 CB ILE A 10 -9.561 -3.418 0.495 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.818 -4.253 0.632 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.491 -3.817 1.510 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.648 -5.688 0.279 1.00 0.00 C ATOM 0 H ILE A 10 -10.483 -2.034 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.474 -1.748 1.541 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.113 -3.599 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.174 -4.185 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.594 -3.825 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.253 -4.874 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.593 -3.222 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.863 -3.640 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.597 -6.209 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.324 -5.772 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.898 -6.137 0.930 1.00 0.00 H new ATOM 138 N ARG A 11 -8.319 -0.626 1.743 1.00 0.00 N ATOM 139 CA ARG A 11 -7.100 0.074 1.903 1.00 0.00 C ATOM 140 C ARG A 11 -5.956 -0.856 1.839 1.00 0.00 C ATOM 141 O ARG A 11 -5.958 -1.912 2.443 1.00 0.00 O ATOM 142 CB ARG A 11 -7.076 0.807 3.224 1.00 0.00 C ATOM 143 CG ARG A 11 -7.714 2.168 3.116 1.00 0.00 C ATOM 144 CD ARG A 11 -7.674 2.903 4.419 1.00 0.00 C ATOM 145 NE ARG A 11 -8.497 2.239 5.442 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.260 2.883 6.342 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.264 4.221 6.388 1.00 0.00 N ATOM 148 NH2 ARG A 11 -10.027 2.190 7.179 1.00 0.00 N ATOM 0 H ARG A 11 -8.857 -0.728 2.604 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.020 0.797 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.600 0.218 3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.045 0.914 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.199 2.752 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.749 2.060 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.643 2.970 4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.028 3.923 4.273 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.488 1.219 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.687 4.755 5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.844 4.706 7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.036 1.171 7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.606 2.678 7.862 1.00 0.00 H new ATOM 162 N VAL A 12 -5.019 -0.500 1.069 1.00 0.00 N ATOM 163 CA VAL A 12 -3.871 -1.267 0.883 1.00 0.00 C ATOM 164 C VAL A 12 -2.681 -0.473 1.337 1.00 0.00 C ATOM 165 O VAL A 12 -2.561 0.688 0.917 1.00 0.00 O ATOM 166 CB VAL A 12 -3.683 -1.507 -0.658 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.487 -2.401 -0.914 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.929 -2.140 -1.252 1.00 0.00 C ATOM 0 H VAL A 12 -5.031 0.366 0.531 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.960 -2.203 1.434 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.513 -0.541 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.372 -2.556 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.588 -1.929 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.639 -3.362 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.782 -2.300 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.119 -3.096 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.782 -1.479 -1.098 1.00 0.00 H new ATOM 178 N GLU A 13 -1.836 -1.005 2.201 1.00 0.00 N ATOM 179 CA GLU A 13 -0.588 -0.350 2.355 1.00 0.00 C ATOM 180 C GLU A 13 0.351 -0.912 1.344 1.00 0.00 C ATOM 181 O GLU A 13 0.237 -2.073 0.985 1.00 0.00 O ATOM 182 CB GLU A 13 0.171 -0.378 3.706 1.00 0.00 C ATOM 183 CG GLU A 13 -0.364 0.633 4.714 1.00 0.00 C ATOM 184 CD GLU A 13 0.408 0.665 6.011 1.00 0.00 C ATOM 185 OE1 GLU A 13 0.138 -0.166 6.897 1.00 0.00 O ATOM 186 OE2 GLU A 13 1.301 1.522 6.179 1.00 0.00 O ATOM 0 H GLU A 13 -1.991 -1.839 2.768 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.880 0.695 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.103 -1.379 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.228 -0.179 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.343 1.626 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.407 0.402 4.928 1.00 0.00 H new ATOM 193 N LEU A 14 1.242 -0.127 0.884 1.00 0.00 N ATOM 194 CA LEU A 14 2.230 -0.566 -0.054 1.00 0.00 C ATOM 195 C LEU A 14 3.609 -0.412 0.522 1.00 0.00 C ATOM 196 O LEU A 14 3.961 0.662 1.027 1.00 0.00 O ATOM 197 CB LEU A 14 2.045 0.242 -1.368 1.00 0.00 C ATOM 198 CG LEU A 14 3.135 0.247 -2.485 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.235 1.254 -2.208 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.717 -1.127 -2.722 1.00 0.00 C ATOM 0 H LEU A 14 1.319 0.856 1.143 1.00 0.00 H new ATOM 0 HA LEU A 14 2.106 -1.626 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.122 -0.110 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.882 1.281 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 14 2.627 0.554 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.970 1.221 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.806 2.254 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.721 1.012 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.471 -1.072 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.177 -1.491 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.924 -1.810 -3.027 1.00 0.00 H new ATOM 212 N ILE A 15 4.402 -1.462 0.474 1.00 0.00 N ATOM 213 CA ILE A 15 5.798 -1.302 0.809 1.00 0.00 C ATOM 214 C ILE A 15 6.609 -1.288 -0.484 1.00 0.00 C ATOM 215 O ILE A 15 6.603 -2.266 -1.252 1.00 0.00 O ATOM 216 CB ILE A 15 6.498 -2.378 1.755 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.092 -2.159 3.238 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.033 -2.359 1.646 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.603 -2.221 3.538 1.00 0.00 C ATOM 0 H ILE A 15 4.115 -2.406 0.215 1.00 0.00 H new ATOM 0 HA ILE A 15 5.793 -0.378 1.387 1.00 0.00 H new ATOM 0 HB ILE A 15 6.149 -3.352 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.596 -2.909 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.466 -1.186 3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.454 -3.112 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.328 -2.577 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.406 -1.375 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.439 -2.054 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.084 -1.452 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.217 -3.202 3.261 1.00 0.00 H new ATOM 483 N PRO A 33 2.453 4.420 1.730 1.00 0.00 N ATOM 484 CA PRO A 33 1.531 4.772 0.640 1.00 0.00 C ATOM 485 C PRO A 33 0.314 3.840 0.649 1.00 0.00 C ATOM 486 O PRO A 33 0.461 2.611 0.646 1.00 0.00 O ATOM 487 CB PRO A 33 2.400 4.556 -0.615 1.00 0.00 C ATOM 488 CG PRO A 33 3.748 4.120 -0.131 1.00 0.00 C ATOM 489 CD PRO A 33 3.837 4.534 1.293 1.00 0.00 C ATOM 0 HA PRO A 33 1.125 5.781 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.959 3.801 -1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.476 5.475 -1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.866 3.041 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.540 4.582 -0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.500 3.885 1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.216 5.551 1.399 1.00 0.00 H new ATOM 497 N SER A 34 -0.863 4.413 0.682 1.00 0.00 N ATOM 498 CA SER A 34 -2.056 3.635 0.852 1.00 0.00 C ATOM 499 C SER A 34 -3.102 4.037 -0.156 1.00 0.00 C ATOM 500 O SER A 34 -3.135 5.185 -0.606 1.00 0.00 O ATOM 501 CB SER A 34 -2.578 3.733 2.316 1.00 0.00 C ATOM 502 OG SER A 34 -2.578 5.082 2.781 1.00 0.00 O ATOM 0 H SER A 34 -1.017 5.417 0.593 1.00 0.00 H new ATOM 0 HA SER A 34 -1.819 2.587 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.588 3.328 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.954 3.122 2.968 1.00 0.00 H new ATOM 0 HG SER A 34 -2.912 5.111 3.702 1.00 0.00 H new ATOM 508 N VAL A 35 -3.922 3.110 -0.525 1.00 0.00 N ATOM 509 CA VAL A 35 -4.964 3.350 -1.470 1.00 0.00 C ATOM 510 C VAL A 35 -6.131 2.497 -1.124 1.00 0.00 C ATOM 511 O VAL A 35 -5.960 1.428 -0.569 1.00 0.00 O ATOM 512 CB VAL A 35 -4.508 3.063 -2.951 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.081 1.627 -3.155 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.594 3.392 -3.949 1.00 0.00 C ATOM 0 H VAL A 35 -3.888 2.152 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.232 4.405 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.650 3.713 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.776 1.482 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.244 1.399 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.915 0.963 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.238 3.180 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.476 2.786 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.853 4.448 -3.870 1.00 0.00 H new ATOM 524 N SER A 36 -7.282 2.970 -1.397 1.00 0.00 N ATOM 525 CA SER A 36 -8.423 2.212 -1.242 1.00 0.00 C ATOM 526 C SER A 36 -8.768 1.699 -2.640 1.00 0.00 C ATOM 527 O SER A 36 -9.211 2.452 -3.513 1.00 0.00 O ATOM 528 CB SER A 36 -9.484 3.034 -0.631 1.00 0.00 C ATOM 529 OG SER A 36 -8.993 3.704 0.517 1.00 0.00 O ATOM 0 H SER A 36 -7.445 3.916 -1.741 1.00 0.00 H new ATOM 0 HA SER A 36 -8.294 1.364 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.851 3.762 -1.355 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.329 2.403 -0.357 1.00 0.00 H new ATOM 0 HG SER A 36 -9.708 4.247 0.910 1.00 0.00 H new ATOM 535 N HIS A 37 -8.503 0.441 -2.842 1.00 0.00 N ATOM 536 CA HIS A 37 -8.568 -0.181 -4.112 1.00 0.00 C ATOM 537 C HIS A 37 -9.743 -1.138 -4.159 1.00 0.00 C ATOM 538 O HIS A 37 -10.073 -1.765 -3.172 1.00 0.00 O ATOM 539 CB HIS A 37 -7.227 -0.909 -4.358 1.00 0.00 C ATOM 540 CG HIS A 37 -7.164 -1.710 -5.616 1.00 0.00 C ATOM 541 ND1 HIS A 37 -7.594 -2.940 -5.860 1.00 0.00 N flip ATOM 542 CD2 HIS A 37 -6.637 -1.258 -6.785 1.00 0.00 C flip ATOM 543 CE1 HIS A 37 -7.343 -3.221 -7.174 1.00 0.00 C flip ATOM 544 NE2 HIS A 37 -6.759 -2.179 -7.703 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.227 -0.194 -2.093 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.722 0.557 -4.899 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.427 -0.169 -4.376 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.030 -1.570 -3.514 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -8.034 -3.566 -5.186 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.187 -0.287 -6.932 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.585 -4.142 -7.684 1.00 0.00 H new ATOM 553 N ILE A 38 -10.328 -1.240 -5.313 1.00 0.00 N ATOM 554 CA ILE A 38 -11.518 -2.063 -5.597 1.00 0.00 C ATOM 555 C ILE A 38 -10.975 -3.502 -5.860 1.00 0.00 C ATOM 556 O ILE A 38 -10.259 -3.748 -6.841 1.00 0.00 O ATOM 557 CB ILE A 38 -12.092 -1.547 -6.859 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.434 -0.045 -6.736 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.345 -2.365 -7.112 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.424 0.296 -5.634 1.00 0.00 C ATOM 0 H ILE A 38 -9.992 -0.739 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.258 -2.048 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.384 -1.637 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.512 0.510 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.838 0.300 -7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.818 -2.030 -8.035 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.080 -3.418 -7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.039 -2.235 -6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.602 1.371 -5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.364 -0.226 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.017 -0.013 -4.671 1.00 0.00 H new ATOM 572 N PHE A 39 -11.254 -4.377 -4.986 1.00 0.00 N ATOM 573 CA PHE A 39 -10.873 -5.734 -5.124 1.00 0.00 C ATOM 574 C PHE A 39 -12.105 -6.566 -5.316 1.00 0.00 C ATOM 575 O PHE A 39 -13.142 -6.274 -4.740 1.00 0.00 O ATOM 576 CB PHE A 39 -10.141 -6.223 -3.912 1.00 0.00 C ATOM 577 CG PHE A 39 -8.780 -5.676 -3.686 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.673 -6.286 -4.239 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.604 -4.589 -2.882 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.409 -5.814 -3.985 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.349 -4.100 -2.626 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.245 -4.719 -3.175 1.00 0.00 C ATOM 0 H PHE A 39 -11.767 -4.174 -4.128 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.208 -5.819 -5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.748 -5.998 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.064 -7.308 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.802 -7.146 -4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.464 -4.107 -2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.549 -6.302 -4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.225 -3.232 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.254 -4.343 -2.968 1.00 0.00 H new ATOM 592 N ASP A 40 -11.980 -7.589 -6.108 1.00 0.00 N ATOM 593 CA ASP A 40 -13.052 -8.481 -6.418 1.00 0.00 C ATOM 594 C ASP A 40 -12.495 -9.887 -6.575 1.00 0.00 C ATOM 595 O ASP A 40 -11.259 -10.080 -6.621 1.00 0.00 O ATOM 596 CB ASP A 40 -13.790 -8.061 -7.712 1.00 0.00 C ATOM 597 CG ASP A 40 -12.890 -8.022 -8.939 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.412 -9.072 -9.367 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.621 -6.921 -9.478 1.00 0.00 O ATOM 0 H ASP A 40 -11.103 -7.831 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.774 -8.448 -5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.610 -8.755 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.233 -7.076 -7.565 1.00 0.00 H new ATOM 604 N GLY A 41 -13.392 -10.829 -6.700 1.00 0.00 N ATOM 605 CA GLY A 41 -13.025 -12.229 -6.817 1.00 0.00 C ATOM 606 C GLY A 41 -13.091 -12.730 -8.242 1.00 0.00 C ATOM 607 O GLY A 41 -13.133 -13.940 -8.491 1.00 0.00 O ATOM 0 H GLY A 41 -14.397 -10.656 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.015 -12.369 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.689 -12.828 -6.194 1.00 0.00 H new ATOM 611 N GLU A 42 -13.103 -11.817 -9.177 1.00 0.00 N ATOM 612 CA GLU A 42 -13.229 -12.140 -10.540 1.00 0.00 C ATOM 613 C GLU A 42 -11.968 -11.805 -11.324 1.00 0.00 C ATOM 614 O GLU A 42 -11.721 -12.336 -12.405 1.00 0.00 O ATOM 615 CB GLU A 42 -14.442 -11.429 -11.068 1.00 0.00 C ATOM 616 CG GLU A 42 -15.746 -11.832 -10.396 1.00 0.00 C ATOM 617 CD GLU A 42 -16.940 -11.164 -11.006 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.220 -10.006 -10.685 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.620 -11.793 -11.829 1.00 0.00 O ATOM 0 H GLU A 42 -13.023 -10.817 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.358 -13.216 -10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.301 -10.355 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.524 -11.620 -12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.866 -12.913 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.697 -11.582 -9.336 1.00 0.00 H new ATOM 626 N THR A 43 -11.204 -10.905 -10.790 1.00 0.00 N ATOM 627 CA THR A 43 -9.972 -10.514 -11.313 1.00 0.00 C ATOM 628 C THR A 43 -8.842 -11.180 -10.536 1.00 0.00 C ATOM 629 O THR A 43 -8.912 -11.285 -9.283 1.00 0.00 O ATOM 630 CB THR A 43 -9.866 -9.023 -11.141 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.981 -8.384 -11.762 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.567 -8.468 -11.659 1.00 0.00 C ATOM 0 H THR A 43 -11.453 -10.409 -9.934 1.00 0.00 H new ATOM 0 HA THR A 43 -9.897 -10.801 -12.362 1.00 0.00 H new ATOM 0 HB THR A 43 -9.880 -8.814 -10.071 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.773 -8.483 -11.194 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.547 -7.389 -11.508 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.736 -8.925 -11.122 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.476 -8.688 -12.723 1.00 0.00 H new ATOM 640 N ALA A 44 -7.847 -11.660 -11.265 1.00 0.00 N ATOM 641 CA ALA A 44 -6.652 -12.218 -10.696 1.00 0.00 C ATOM 642 C ALA A 44 -5.997 -11.235 -9.757 1.00 0.00 C ATOM 643 O ALA A 44 -6.057 -10.004 -9.958 1.00 0.00 O ATOM 644 CB ALA A 44 -5.666 -12.613 -11.780 1.00 0.00 C ATOM 0 H ALA A 44 -7.857 -11.668 -12.285 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.940 -13.109 -10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.770 -13.033 -11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.122 -13.357 -12.433 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.396 -11.733 -12.365 1.00 0.00 H new ATOM 650 N VAL A 45 -5.381 -11.775 -8.748 1.00 0.00 N ATOM 651 CA VAL A 45 -4.671 -11.021 -7.744 1.00 0.00 C ATOM 652 C VAL A 45 -3.643 -10.134 -8.401 1.00 0.00 C ATOM 653 O VAL A 45 -3.640 -8.931 -8.200 1.00 0.00 O ATOM 654 CB VAL A 45 -3.875 -11.937 -6.829 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.089 -11.102 -5.846 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.847 -12.821 -6.095 1.00 0.00 C ATOM 0 H VAL A 45 -5.355 -12.783 -8.591 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.420 -10.457 -7.188 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.178 -12.547 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.517 -11.757 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.407 -10.447 -6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.775 -10.499 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.300 -13.490 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.529 -12.204 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.417 -13.410 -6.813 1.00 0.00 H new ATOM 666 N LYS A 46 -2.802 -10.755 -9.207 1.00 0.00 N ATOM 667 CA LYS A 46 -1.692 -10.073 -9.885 1.00 0.00 C ATOM 668 C LYS A 46 -2.184 -8.918 -10.749 1.00 0.00 C ATOM 669 O LYS A 46 -1.492 -7.946 -10.952 1.00 0.00 O ATOM 670 CB LYS A 46 -0.881 -11.051 -10.734 1.00 0.00 C ATOM 671 CG LYS A 46 -1.696 -11.745 -11.805 1.00 0.00 C ATOM 672 CD LYS A 46 -0.844 -12.645 -12.656 1.00 0.00 C ATOM 673 CE LYS A 46 -1.679 -13.321 -13.731 1.00 0.00 C ATOM 674 NZ LYS A 46 -2.323 -12.358 -14.665 1.00 0.00 N ATOM 0 H LYS A 46 -2.862 -11.751 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.047 -9.665 -9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.059 -10.514 -11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.437 -11.804 -10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.489 -12.329 -11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.179 -10.999 -12.435 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.046 -12.066 -13.120 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.368 -13.400 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.045 -14.001 -14.300 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.450 -13.927 -13.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.645 -12.862 -15.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.138 -11.913 -14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.637 -11.625 -14.936 1.00 0.00 H new ATOM 688 N ASP A 47 -3.381 -9.033 -11.237 1.00 0.00 N ATOM 689 CA ASP A 47 -3.968 -8.003 -12.053 1.00 0.00 C ATOM 690 C ASP A 47 -4.407 -6.851 -11.198 1.00 0.00 C ATOM 691 O ASP A 47 -4.291 -5.692 -11.599 1.00 0.00 O ATOM 692 CB ASP A 47 -5.102 -8.538 -12.880 1.00 0.00 C ATOM 693 CG ASP A 47 -4.655 -9.402 -14.022 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.129 -10.509 -13.788 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.842 -8.995 -15.189 1.00 0.00 O ATOM 0 H ASP A 47 -3.983 -9.842 -11.083 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.210 -7.643 -12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.769 -9.114 -12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.681 -7.702 -13.272 1.00 0.00 H new ATOM 700 N HIS A 48 -4.915 -7.168 -10.017 1.00 0.00 N ATOM 701 CA HIS A 48 -5.221 -6.162 -9.014 1.00 0.00 C ATOM 702 C HIS A 48 -3.893 -5.466 -8.635 1.00 0.00 C ATOM 703 O HIS A 48 -3.839 -4.251 -8.453 1.00 0.00 O ATOM 704 CB HIS A 48 -5.866 -6.791 -7.751 1.00 0.00 C ATOM 705 CG HIS A 48 -7.233 -7.422 -7.877 1.00 0.00 C ATOM 706 ND1 HIS A 48 -7.635 -8.698 -7.638 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 -8.379 -6.733 -8.207 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 -8.989 -8.735 -7.816 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 -9.410 -7.542 -8.157 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.125 -8.124 -9.729 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.940 -5.450 -9.420 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.183 -7.552 -7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.929 -6.014 -6.989 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.422 -5.686 -8.467 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.613 -9.608 -7.695 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.378 -7.285 -8.351 1.00 0.00 H new ATOM 718 N ILE A 49 -2.855 -6.266 -8.572 1.00 0.00 N ATOM 719 CA ILE A 49 -1.517 -5.835 -8.253 1.00 0.00 C ATOM 720 C ILE A 49 -0.928 -4.943 -9.335 1.00 0.00 C ATOM 721 O ILE A 49 -0.362 -3.919 -9.007 1.00 0.00 O ATOM 722 CB ILE A 49 -0.622 -7.025 -7.877 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.170 -7.656 -6.604 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.840 -6.584 -7.687 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.332 -8.765 -6.080 1.00 0.00 C ATOM 0 H ILE A 49 -2.922 -7.269 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.571 -5.206 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.630 -7.757 -8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.260 -6.887 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.175 -8.032 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.449 -7.448 -7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.212 -6.149 -8.614 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.896 -5.842 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.784 -9.165 -5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.262 -9.554 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.666 -8.391 -5.853 1.00 0.00 H new ATOM 737 N LYS A 50 -1.097 -5.288 -10.622 1.00 0.00 N ATOM 738 CA LYS A 50 -0.640 -4.395 -11.694 1.00 0.00 C ATOM 739 C LYS A 50 -1.285 -3.016 -11.571 1.00 0.00 C ATOM 740 O LYS A 50 -0.646 -2.000 -11.847 1.00 0.00 O ATOM 741 CB LYS A 50 -0.881 -4.974 -13.096 1.00 0.00 C ATOM 742 CG LYS A 50 -0.059 -6.190 -13.437 1.00 0.00 C ATOM 743 CD LYS A 50 -0.257 -6.584 -14.888 1.00 0.00 C ATOM 744 CE LYS A 50 0.523 -7.841 -15.235 1.00 0.00 C ATOM 745 NZ LYS A 50 0.246 -8.307 -16.610 1.00 0.00 N ATOM 0 H LYS A 50 -1.534 -6.154 -10.938 1.00 0.00 H new ATOM 0 HA LYS A 50 0.438 -4.295 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.936 -5.230 -13.189 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.675 -4.198 -13.833 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.995 -5.985 -13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.342 -7.019 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.317 -6.748 -15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.062 -5.767 -15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.590 -7.646 -15.127 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.270 -8.631 -14.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.799 -9.166 -16.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.768 -8.518 -16.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.511 -7.565 -17.288 1.00 0.00 H new ATOM 759 N VAL A 51 -2.528 -2.985 -11.115 1.00 0.00 N ATOM 760 CA VAL A 51 -3.228 -1.734 -10.901 1.00 0.00 C ATOM 761 C VAL A 51 -2.642 -0.990 -9.712 1.00 0.00 C ATOM 762 O VAL A 51 -2.310 0.195 -9.824 1.00 0.00 O ATOM 763 CB VAL A 51 -4.725 -1.907 -10.682 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.379 -0.567 -10.466 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.372 -2.671 -11.805 1.00 0.00 C ATOM 0 H VAL A 51 -3.072 -3.817 -10.886 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.093 -1.160 -11.818 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.868 -2.504 -9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.449 -0.705 -10.311 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.944 -0.087 -9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.218 0.062 -11.342 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.439 -2.772 -11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.224 -2.135 -12.742 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.922 -3.661 -11.878 1.00 0.00 H new ATOM 775 N LEU A 52 -2.548 -1.655 -8.587 1.00 0.00 N ATOM 776 CA LEU A 52 -1.952 -1.082 -7.390 1.00 0.00 C ATOM 777 C LEU A 52 -0.574 -0.552 -7.668 1.00 0.00 C ATOM 778 O LEU A 52 -0.301 0.599 -7.360 1.00 0.00 O ATOM 779 CB LEU A 52 -1.908 -2.136 -6.315 1.00 0.00 C ATOM 780 CG LEU A 52 -3.261 -2.552 -5.826 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.192 -3.922 -5.254 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.757 -1.571 -4.802 1.00 0.00 C ATOM 0 H LEU A 52 -2.881 -2.612 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.561 -0.242 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.384 -3.012 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.327 -1.760 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.961 -2.562 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.179 -4.219 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.857 -4.620 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.489 -3.933 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.742 -1.879 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.064 -1.541 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.826 -0.580 -5.251 1.00 0.00 H new ATOM 794 N LEU A 53 0.272 -1.364 -8.305 1.00 0.00 N ATOM 795 CA LEU A 53 1.608 -0.956 -8.649 1.00 0.00 C ATOM 796 C LEU A 53 1.560 0.296 -9.482 1.00 0.00 C ATOM 797 O LEU A 53 2.223 1.255 -9.175 1.00 0.00 O ATOM 798 CB LEU A 53 2.334 -2.065 -9.388 1.00 0.00 C ATOM 799 CG LEU A 53 2.543 -3.345 -8.614 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.258 -4.328 -9.474 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.314 -3.092 -7.338 1.00 0.00 C ATOM 0 H LEU A 53 0.039 -2.315 -8.590 1.00 0.00 H new ATOM 0 HA LEU A 53 2.160 -0.748 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.775 -2.298 -10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.308 -1.689 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 53 1.571 -3.750 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.411 -5.254 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.663 -4.533 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.224 -3.918 -9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.449 -4.032 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.289 -2.669 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.761 -2.393 -6.711 1.00 0.00 H new ATOM 813 N THR A 54 0.721 0.297 -10.494 1.00 0.00 N ATOM 814 CA THR A 54 0.545 1.410 -11.317 1.00 0.00 C ATOM 815 C THR A 54 0.083 2.673 -10.581 1.00 0.00 C ATOM 816 O THR A 54 0.586 3.768 -10.830 1.00 0.00 O ATOM 817 CB THR A 54 -0.347 1.037 -12.510 1.00 0.00 C ATOM 818 OG1 THR A 54 0.272 0.049 -13.337 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.805 2.196 -13.308 1.00 0.00 C ATOM 0 H THR A 54 0.144 -0.505 -10.749 1.00 0.00 H new ATOM 0 HA THR A 54 1.527 1.691 -11.697 1.00 0.00 H new ATOM 0 HB THR A 54 -1.249 0.608 -12.073 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.186 -0.831 -12.915 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.429 1.847 -14.131 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.383 2.869 -12.674 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.059 2.727 -13.708 1.00 0.00 H new ATOM 827 N HIS A 55 -0.805 2.515 -9.646 1.00 0.00 N ATOM 828 CA HIS A 55 -1.277 3.619 -8.849 1.00 0.00 C ATOM 829 C HIS A 55 -0.204 4.113 -7.848 1.00 0.00 C ATOM 830 O HIS A 55 -0.166 5.285 -7.492 1.00 0.00 O ATOM 831 CB HIS A 55 -2.603 3.218 -8.183 1.00 0.00 C ATOM 832 CG HIS A 55 -3.219 4.274 -7.321 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.106 5.204 -7.785 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.065 4.527 -6.011 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.467 5.988 -6.802 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.849 5.603 -5.712 1.00 0.00 N ATOM 0 H HIS A 55 -1.227 1.617 -9.410 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.469 4.480 -9.490 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.315 2.943 -8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.434 2.328 -7.577 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.437 3.981 -5.322 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.159 6.814 -6.876 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.939 6.036 -4.793 1.00 0.00 H new ATOM 845 N PHE A 56 0.648 3.210 -7.411 1.00 0.00 N ATOM 846 CA PHE A 56 1.767 3.544 -6.538 1.00 0.00 C ATOM 847 C PHE A 56 3.004 3.971 -7.325 1.00 0.00 C ATOM 848 O PHE A 56 4.051 4.301 -6.748 1.00 0.00 O ATOM 849 CB PHE A 56 2.090 2.374 -5.642 1.00 0.00 C ATOM 850 CG PHE A 56 1.059 2.136 -4.604 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.751 3.132 -3.713 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.421 0.920 -4.495 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.176 2.934 -2.723 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.518 0.707 -3.511 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.812 1.722 -2.617 1.00 0.00 C ATOM 0 H PHE A 56 0.589 2.220 -7.648 1.00 0.00 H new ATOM 0 HA PHE A 56 1.466 4.395 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.198 1.476 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.051 2.549 -5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.247 4.088 -3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.660 0.127 -5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.405 3.729 -2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.022 -0.245 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.541 1.561 -1.837 1.00 0.00 H new ATOM 865 N LYS A 57 2.854 3.944 -8.630 1.00 0.00 N ATOM 866 CA LYS A 57 3.869 4.337 -9.628 1.00 0.00 C ATOM 867 C LYS A 57 5.040 3.356 -9.692 1.00 0.00 C ATOM 868 O LYS A 57 6.160 3.707 -10.077 1.00 0.00 O ATOM 869 CB LYS A 57 4.339 5.775 -9.422 1.00 0.00 C ATOM 870 CG LYS A 57 3.240 6.808 -9.625 1.00 0.00 C ATOM 871 CD LYS A 57 3.711 8.259 -9.440 1.00 0.00 C ATOM 872 CE LYS A 57 4.638 8.774 -10.563 1.00 0.00 C ATOM 873 NZ LYS A 57 6.032 8.274 -10.471 1.00 0.00 N ATOM 0 H LYS A 57 1.984 3.635 -9.063 1.00 0.00 H new ATOM 0 HA LYS A 57 3.380 4.294 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.740 5.877 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.156 5.984 -10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.828 6.695 -10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.431 6.606 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.837 8.908 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.234 8.340 -8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.221 8.482 -11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.651 9.864 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.694 9.064 -10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.189 7.854 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.191 7.553 -11.204 1.00 0.00 H new ATOM 887 N ILE A 58 4.737 2.122 -9.414 1.00 0.00 N ATOM 888 CA ILE A 58 5.656 1.061 -9.453 1.00 0.00 C ATOM 889 C ILE A 58 5.443 0.331 -10.759 1.00 0.00 C ATOM 890 O ILE A 58 4.293 0.151 -11.176 1.00 0.00 O ATOM 891 CB ILE A 58 5.371 0.095 -8.312 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.439 0.858 -7.019 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.375 -1.068 -8.312 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.044 0.046 -5.871 1.00 0.00 C ATOM 0 H ILE A 58 3.797 1.832 -9.144 1.00 0.00 H new ATOM 0 HA ILE A 58 6.675 1.437 -9.363 1.00 0.00 H new ATOM 0 HB ILE A 58 4.378 -0.337 -8.436 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.455 1.224 -6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.791 1.732 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.149 -1.744 -7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.304 -1.610 -9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.385 -0.676 -8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.111 0.644 -4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.018 -0.298 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.708 -0.815 -5.788 1.00 0.00 H new ATOM 906 N PRO A 59 6.498 -0.023 -11.472 1.00 0.00 N ATOM 907 CA PRO A 59 6.378 -0.827 -12.673 1.00 0.00 C ATOM 908 C PRO A 59 5.732 -2.152 -12.379 1.00 0.00 C ATOM 909 O PRO A 59 6.093 -2.856 -11.414 1.00 0.00 O ATOM 910 CB PRO A 59 7.813 -1.041 -13.105 1.00 0.00 C ATOM 911 CG PRO A 59 8.551 0.089 -12.519 1.00 0.00 C ATOM 912 CD PRO A 59 7.890 0.364 -11.208 1.00 0.00 C ATOM 0 HA PRO A 59 5.761 -0.346 -13.432 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.197 -1.995 -12.744 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.902 -1.052 -14.191 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.604 -0.159 -12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.511 0.963 -13.169 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.329 -0.222 -10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.973 1.413 -10.923 1.00 0.00 H new ATOM 920 N VAL A 60 4.804 -2.506 -13.227 1.00 0.00 N ATOM 921 CA VAL A 60 4.077 -3.734 -13.141 1.00 0.00 C ATOM 922 C VAL A 60 4.961 -4.944 -13.298 1.00 0.00 C ATOM 923 O VAL A 60 4.520 -6.053 -13.121 1.00 0.00 O ATOM 924 CB VAL A 60 2.947 -3.799 -14.189 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.931 -2.713 -13.935 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.476 -3.709 -15.589 1.00 0.00 C ATOM 0 H VAL A 60 4.528 -1.926 -14.020 1.00 0.00 H new ATOM 0 HA VAL A 60 3.647 -3.750 -12.140 1.00 0.00 H new ATOM 0 HB VAL A 60 2.461 -4.769 -14.087 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.140 -2.772 -14.683 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.501 -2.842 -12.942 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.416 -1.739 -13.997 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.647 -3.759 -16.295 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.006 -2.765 -15.718 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.160 -4.537 -15.774 1.00 0.00 H new ATOM 936 N ASP A 61 6.215 -4.731 -13.673 1.00 0.00 N ATOM 937 CA ASP A 61 7.159 -5.833 -13.799 1.00 0.00 C ATOM 938 C ASP A 61 7.505 -6.397 -12.432 1.00 0.00 C ATOM 939 O ASP A 61 8.032 -7.496 -12.323 1.00 0.00 O ATOM 940 CB ASP A 61 8.427 -5.467 -14.569 1.00 0.00 C ATOM 941 CG ASP A 61 8.193 -5.182 -16.029 1.00 0.00 C ATOM 942 OD1 ASP A 61 8.120 -6.139 -16.843 1.00 0.00 O ATOM 943 OD2 ASP A 61 8.087 -4.001 -16.399 1.00 0.00 O ATOM 0 H ASP A 61 6.600 -3.813 -13.894 1.00 0.00 H new ATOM 0 HA ASP A 61 6.657 -6.599 -14.391 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.881 -4.591 -14.106 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.144 -6.283 -14.478 1.00 0.00 H new ATOM 948 N LYS A 62 7.190 -5.654 -11.376 1.00 0.00 N ATOM 949 CA LYS A 62 7.413 -6.138 -10.051 1.00 0.00 C ATOM 950 C LYS A 62 6.231 -6.963 -9.540 1.00 0.00 C ATOM 951 O LYS A 62 6.299 -7.491 -8.466 1.00 0.00 O ATOM 952 CB LYS A 62 7.735 -5.031 -9.048 1.00 0.00 C ATOM 953 CG LYS A 62 9.131 -4.438 -9.114 1.00 0.00 C ATOM 954 CD LYS A 62 9.245 -3.357 -10.145 1.00 0.00 C ATOM 955 CE LYS A 62 10.639 -2.732 -10.142 1.00 0.00 C ATOM 956 NZ LYS A 62 11.711 -3.710 -10.452 1.00 0.00 N ATOM 0 H LYS A 62 6.782 -4.721 -11.429 1.00 0.00 H new ATOM 0 HA LYS A 62 8.291 -6.779 -10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.015 -4.224 -9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.580 -5.426 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.398 -4.034 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.848 -5.228 -9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.031 -3.768 -11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.498 -2.587 -9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.670 -1.923 -10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.831 -2.288 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.611 -3.207 -10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.805 -4.384 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.469 -4.226 -11.322 1.00 0.00 H new ATOM 970 N VAL A 63 5.140 -7.026 -10.316 1.00 0.00 N ATOM 971 CA VAL A 63 3.910 -7.831 -10.012 1.00 0.00 C ATOM 972 C VAL A 63 4.287 -9.270 -9.626 1.00 0.00 C ATOM 973 O VAL A 63 3.652 -9.890 -8.789 1.00 0.00 O ATOM 974 CB VAL A 63 3.030 -7.804 -11.300 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.358 -8.824 -12.371 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.592 -7.895 -10.932 1.00 0.00 C ATOM 0 H VAL A 63 5.069 -6.514 -11.195 1.00 0.00 H new ATOM 0 HA VAL A 63 3.364 -7.414 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 63 3.267 -6.847 -11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.676 -8.701 -13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.383 -8.678 -12.711 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.251 -9.829 -11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.983 -7.876 -11.836 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.412 -8.825 -10.393 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.325 -7.051 -10.297 1.00 0.00 H new ATOM 986 N SER A 64 5.360 -9.737 -10.234 1.00 0.00 N ATOM 987 CA SER A 64 5.979 -11.010 -9.954 1.00 0.00 C ATOM 988 C SER A 64 6.369 -11.101 -8.468 1.00 0.00 C ATOM 989 O SER A 64 6.188 -12.133 -7.808 1.00 0.00 O ATOM 990 CB SER A 64 7.313 -11.094 -10.722 1.00 0.00 C ATOM 991 OG SER A 64 7.882 -12.394 -10.617 1.00 0.00 O ATOM 0 H SER A 64 5.841 -9.215 -10.966 1.00 0.00 H new ATOM 0 HA SER A 64 5.275 -11.794 -10.233 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.148 -10.849 -11.771 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.011 -10.355 -10.328 1.00 0.00 H new ATOM 0 HG SER A 64 8.726 -12.423 -11.113 1.00 0.00 H new ATOM 997 N SER A 65 6.902 -10.024 -7.967 1.00 0.00 N ATOM 998 CA SER A 65 7.450 -9.956 -6.660 1.00 0.00 C ATOM 999 C SER A 65 6.525 -9.234 -5.682 1.00 0.00 C ATOM 1000 O SER A 65 6.939 -8.891 -4.593 1.00 0.00 O ATOM 1001 CB SER A 65 8.804 -9.244 -6.714 1.00 0.00 C ATOM 1002 OG SER A 65 9.654 -9.828 -7.709 1.00 0.00 O ATOM 0 H SER A 65 6.965 -9.145 -8.481 1.00 0.00 H new ATOM 0 HA SER A 65 7.573 -10.977 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.654 -8.187 -6.934 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.288 -9.301 -5.739 1.00 0.00 H new ATOM 0 HG SER A 65 10.512 -9.355 -7.725 1.00 0.00 H new ATOM 1008 N TYR A 66 5.287 -9.023 -6.050 1.00 0.00 N ATOM 1009 CA TYR A 66 4.354 -8.355 -5.166 1.00 0.00 C ATOM 1010 C TYR A 66 3.205 -9.228 -4.793 1.00 0.00 C ATOM 1011 O TYR A 66 2.751 -10.047 -5.590 1.00 0.00 O ATOM 1012 CB TYR A 66 3.861 -7.039 -5.734 1.00 0.00 C ATOM 1013 CG TYR A 66 4.744 -5.879 -5.398 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.561 -5.203 -4.219 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.744 -5.463 -6.238 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.336 -4.141 -3.874 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.547 -4.390 -5.913 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.328 -3.724 -4.714 1.00 0.00 C ATOM 1019 OH TYR A 66 7.113 -2.655 -4.351 1.00 0.00 O ATOM 0 H TYR A 66 4.899 -9.301 -6.951 1.00 0.00 H new ATOM 0 HA TYR A 66 4.913 -8.134 -4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.784 -7.126 -6.818 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.857 -6.843 -5.358 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.779 -5.523 -3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.906 -5.984 -7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.168 -3.629 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.334 -4.072 -6.581 1.00 0.00 H new ATOM 0 HH TYR A 66 6.977 -2.457 -3.401 1.00 0.00 H new ATOM 1029 N ALA A 67 2.762 -9.076 -3.570 1.00 0.00 N ATOM 1030 CA ALA A 67 1.656 -9.818 -3.057 1.00 0.00 C ATOM 1031 C ALA A 67 1.017 -9.071 -1.924 1.00 0.00 C ATOM 1032 O ALA A 67 1.653 -8.233 -1.273 1.00 0.00 O ATOM 1033 CB ALA A 67 2.087 -11.189 -2.590 1.00 0.00 C ATOM 0 H ALA A 67 3.170 -8.423 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 67 0.932 -9.944 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.223 -11.730 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.517 -11.740 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.833 -11.087 -1.801 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.229 -9.358 -1.732 1.00 0.00 N ATOM 1040 CA LEU A 68 -1.020 -8.805 -0.678 1.00 0.00 C ATOM 1041 C LEU A 68 -0.782 -9.616 0.591 1.00 0.00 C ATOM 1042 O LEU A 68 -0.832 -10.841 0.553 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.487 -8.920 -1.102 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.854 -8.228 -2.431 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.273 -8.569 -2.823 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.689 -6.709 -2.330 1.00 0.00 C ATOM 0 H LEU A 68 -0.744 -10.008 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.760 -7.764 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.742 -9.977 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.109 -8.501 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.172 -8.593 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.520 -8.074 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.367 -9.648 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.957 -8.231 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.955 -6.250 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.341 -6.323 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.653 -6.471 -2.089 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.498 -8.965 1.675 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.236 -9.649 2.931 1.00 0.00 C ATOM 1060 C GLN A 69 -1.323 -9.284 3.943 1.00 0.00 C ATOM 1061 O GLN A 69 -1.927 -8.203 3.848 1.00 0.00 O ATOM 1062 CB GLN A 69 1.137 -9.219 3.489 1.00 0.00 C ATOM 1063 CG GLN A 69 1.654 -10.076 4.636 1.00 0.00 C ATOM 1064 CD GLN A 69 2.801 -9.440 5.401 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.887 -8.222 5.538 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.683 -10.258 5.890 1.00 0.00 N ATOM 0 H GLN A 69 -0.438 -7.948 1.729 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.235 -10.725 2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.866 -9.241 2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.069 -8.185 3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.835 -10.277 5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.981 -11.038 4.241 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.576 -11.263 5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.482 -9.895 6.409 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.602 -10.196 4.857 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.532 -9.963 5.957 1.00 0.00 C ATOM 1077 C ASN A 70 -1.799 -9.197 7.054 1.00 0.00 C ATOM 1078 O ASN A 70 -0.708 -9.596 7.444 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.019 -11.292 6.549 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.041 -11.091 7.675 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.673 -10.861 8.825 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.301 -11.246 7.379 1.00 0.00 N ATOM 0 H ASN A 70 -1.188 -11.128 4.860 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.388 -9.403 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.466 -11.896 5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.165 -11.850 6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.009 -11.177 8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.579 -11.436 6.416 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.386 -8.125 7.582 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.743 -7.283 8.609 1.00 0.00 C ATOM 1091 C PRO A 71 -1.542 -7.951 9.988 1.00 0.00 C ATOM 1092 O PRO A 71 -0.698 -7.506 10.766 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.688 -6.097 8.734 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.011 -6.609 8.286 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.719 -7.603 7.207 1.00 0.00 C ATOM 0 HA PRO A 71 -0.726 -7.038 8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.732 -5.734 9.761 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.358 -5.263 8.115 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.550 -7.075 9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.638 -5.799 7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.467 -8.395 7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.707 -7.136 6.222 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.266 -9.007 10.297 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.137 -9.596 11.617 1.00 0.00 C ATOM 1105 C PHE A 72 -1.321 -10.858 11.576 1.00 0.00 C ATOM 1106 O PHE A 72 -0.420 -11.065 12.391 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.488 -9.911 12.249 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.369 -8.728 12.534 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.250 -8.027 13.720 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.333 -8.336 11.626 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -5.074 -6.956 13.994 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -6.160 -7.271 11.895 1.00 0.00 C ATOM 1113 CZ PHE A 72 -6.031 -6.579 13.082 1.00 0.00 C ATOM 0 H PHE A 72 -2.931 -9.465 9.674 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.632 -8.848 12.227 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.027 -10.591 11.589 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.315 -10.445 13.184 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.502 -8.322 14.441 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.438 -8.872 10.694 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.968 -6.415 14.923 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.911 -6.976 11.177 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.681 -5.743 13.294 1.00 0.00 H new ATOM 1123 N THR A 73 -1.612 -11.680 10.620 1.00 0.00 N ATOM 1124 CA THR A 73 -1.028 -12.998 10.546 1.00 0.00 C ATOM 1125 C THR A 73 0.233 -12.994 9.706 1.00 0.00 C ATOM 1126 O THR A 73 1.046 -13.932 9.767 1.00 0.00 O ATOM 1127 CB THR A 73 -2.019 -13.958 9.919 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.273 -13.551 8.562 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.325 -13.942 10.691 1.00 0.00 C ATOM 0 H THR A 73 -2.261 -11.465 9.863 1.00 0.00 H new ATOM 0 HA THR A 73 -0.778 -13.310 11.560 1.00 0.00 H new ATOM 0 HB THR A 73 -1.602 -14.965 9.941 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.912 -14.169 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.028 -14.636 10.231 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.142 -14.243 11.723 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.745 -12.936 10.675 1.00 0.00 H new ATOM 1137 N LEU A 74 0.370 -11.947 8.903 1.00 0.00 N ATOM 1138 CA LEU A 74 1.484 -11.749 7.994 1.00 0.00 C ATOM 1139 C LEU A 74 1.505 -12.770 6.873 1.00 0.00 C ATOM 1140 O LEU A 74 2.521 -12.948 6.197 1.00 0.00 O ATOM 1141 CB LEU A 74 2.823 -11.678 8.729 1.00 0.00 C ATOM 1142 CG LEU A 74 2.939 -10.597 9.772 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.376 -10.294 10.048 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.151 -9.348 9.406 1.00 0.00 C ATOM 0 H LEU A 74 -0.314 -11.191 8.868 1.00 0.00 H new ATOM 0 HA LEU A 74 1.329 -10.777 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.005 -12.640 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.614 -11.533 7.993 1.00 0.00 H new ATOM 0 HG LEU A 74 2.489 -10.973 10.691 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.444 -9.511 10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.874 -11.193 10.411 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.859 -9.956 9.131 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.269 -8.601 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.523 -8.946 8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.096 -9.601 9.301 1.00 0.00 H new ATOM 1156 N ALA A 75 0.364 -13.379 6.632 1.00 0.00 N ATOM 1157 CA ALA A 75 0.239 -14.346 5.578 1.00 0.00 C ATOM 1158 C ALA A 75 0.049 -13.656 4.258 1.00 0.00 C ATOM 1159 O ALA A 75 -0.709 -12.682 4.160 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.933 -15.253 5.839 1.00 0.00 C ATOM 0 H ALA A 75 -0.493 -13.215 7.160 1.00 0.00 H new ATOM 0 HA ALA A 75 1.153 -14.938 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.016 -15.981 5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.786 -15.774 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.847 -14.661 5.889 1.00 0.00 H new ATOM 1166 N TYR A 76 0.712 -14.145 3.263 1.00 0.00 N ATOM 1167 CA TYR A 76 0.629 -13.586 1.946 1.00 0.00 C ATOM 1168 C TYR A 76 -0.395 -14.298 1.119 1.00 0.00 C ATOM 1169 O TYR A 76 -0.619 -15.506 1.293 1.00 0.00 O ATOM 1170 CB TYR A 76 1.949 -13.663 1.253 1.00 0.00 C ATOM 1171 CG TYR A 76 2.913 -12.603 1.660 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.604 -12.668 2.838 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.159 -11.562 0.819 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.537 -11.711 3.160 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.066 -10.592 1.113 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.768 -10.670 2.286 1.00 0.00 C ATOM 1177 OH TYR A 76 5.704 -9.715 2.584 1.00 0.00 O ATOM 0 H TYR A 76 1.333 -14.951 3.337 1.00 0.00 H new ATOM 0 HA TYR A 76 0.336 -12.542 2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.394 -14.638 1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.787 -13.598 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.415 -13.481 3.524 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.616 -11.504 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.084 -11.774 4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.230 -9.771 0.430 1.00 0.00 H new ATOM 0 HH TYR A 76 5.914 -9.200 1.777 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.022 -13.569 0.245 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.964 -14.124 -0.684 1.00 0.00 C ATOM 1189 C VAL A 77 -1.184 -14.742 -1.832 1.00 0.00 C ATOM 1190 O VAL A 77 -0.587 -14.029 -2.644 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.923 -13.029 -1.237 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.926 -13.611 -2.222 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.647 -12.324 -0.101 1.00 0.00 C ATOM 0 H VAL A 77 -0.893 -12.561 0.155 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.571 -14.873 -0.176 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.314 -12.299 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.579 -12.818 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.394 -14.059 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.525 -14.374 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.312 -11.563 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.231 -13.050 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.918 -11.853 0.558 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.156 -16.051 -1.880 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.444 -16.758 -2.912 1.00 0.00 C ATOM 1205 C GLU A 78 -1.388 -17.262 -3.975 1.00 0.00 C ATOM 1206 O GLU A 78 -1.009 -18.047 -4.844 1.00 0.00 O ATOM 1207 CB GLU A 78 0.398 -17.874 -2.365 1.00 0.00 C ATOM 1208 CG GLU A 78 1.546 -17.449 -1.472 1.00 0.00 C ATOM 1209 CD GLU A 78 2.636 -16.723 -2.213 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.909 -17.057 -3.393 1.00 0.00 O ATOM 1211 OE2 GLU A 78 3.263 -15.819 -1.641 1.00 0.00 O ATOM 0 H GLU A 78 -1.626 -16.654 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 78 0.238 -16.043 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.246 -18.549 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.803 -18.443 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.163 -16.805 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.968 -18.331 -0.990 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.598 -16.769 -3.918 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.617 -17.096 -4.845 1.00 0.00 C ATOM 1220 C ASP A 79 -3.425 -16.389 -6.150 1.00 0.00 C ATOM 1221 O ASP A 79 -2.777 -15.335 -6.244 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.994 -16.658 -4.333 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.450 -17.348 -3.064 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -5.758 -18.563 -3.113 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.557 -16.694 -2.005 1.00 0.00 O ATOM 0 H ASP A 79 -2.897 -16.110 -3.199 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.562 -18.177 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.975 -15.582 -4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.732 -16.841 -5.114 1.00 0.00 H new ATOM 1230 N SER A 80 -3.974 -16.976 -7.141 1.00 0.00 N ATOM 1231 CA SER A 80 -4.052 -16.433 -8.429 1.00 0.00 C ATOM 1232 C SER A 80 -5.207 -15.469 -8.530 1.00 0.00 C ATOM 1233 O SER A 80 -5.105 -14.427 -9.159 1.00 0.00 O ATOM 1234 CB SER A 80 -4.204 -17.531 -9.418 1.00 0.00 C ATOM 1235 OG SER A 80 -3.039 -18.348 -9.461 1.00 0.00 O ATOM 0 H SER A 80 -4.403 -17.898 -7.066 1.00 0.00 H new ATOM 0 HA SER A 80 -3.135 -15.883 -8.640 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.070 -18.140 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.394 -17.111 -10.406 1.00 0.00 H new ATOM 0 HG SER A 80 -3.166 -19.064 -10.118 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.283 -15.806 -7.895 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.466 -15.027 -7.876 1.00 0.00 C ATOM 1243 C PHE A 81 -7.917 -14.871 -6.446 1.00 0.00 C ATOM 1244 O PHE A 81 -7.684 -15.745 -5.621 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.541 -15.718 -8.663 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.341 -15.735 -10.147 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.476 -16.639 -10.728 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.019 -14.851 -10.955 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.286 -16.663 -12.092 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.840 -14.866 -12.321 1.00 0.00 C ATOM 1251 CZ PHE A 81 -7.971 -15.774 -12.891 1.00 0.00 C ATOM 0 H PHE A 81 -6.358 -16.668 -7.355 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.272 -14.050 -8.319 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.620 -16.747 -8.312 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.494 -15.234 -8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.940 -17.338 -10.104 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.699 -14.138 -10.513 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.604 -17.375 -12.533 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.379 -14.168 -12.945 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.828 -15.788 -13.961 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.572 -13.789 -6.169 1.00 0.00 N ATOM 1262 CA LEU A 82 -9.059 -13.507 -4.839 1.00 0.00 C ATOM 1263 C LEU A 82 -10.367 -14.191 -4.604 1.00 0.00 C ATOM 1264 O LEU A 82 -11.107 -14.500 -5.541 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.229 -12.006 -4.642 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.943 -11.251 -4.309 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.199 -9.767 -4.203 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.347 -11.784 -3.004 1.00 0.00 C ATOM 0 H LEU A 82 -8.790 -13.067 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.327 -13.882 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.658 -11.581 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.949 -11.839 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.230 -11.412 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.268 -9.253 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.586 -9.396 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.928 -9.579 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.431 -11.241 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.063 -11.647 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.122 -12.845 -3.113 1.00 0.00 H new ATOM 1280 N THR A 83 -10.629 -14.440 -3.373 1.00 0.00 N ATOM 1281 CA THR A 83 -11.842 -15.010 -2.959 1.00 0.00 C ATOM 1282 C THR A 83 -12.609 -13.958 -2.186 1.00 0.00 C ATOM 1283 O THR A 83 -11.983 -13.029 -1.634 1.00 0.00 O ATOM 1284 CB THR A 83 -11.578 -16.228 -2.051 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.679 -15.851 -0.994 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.972 -17.371 -2.836 1.00 0.00 C ATOM 0 H THR A 83 -9.981 -14.244 -2.610 1.00 0.00 H new ATOM 0 HA THR A 83 -12.412 -15.345 -3.825 1.00 0.00 H new ATOM 0 HB THR A 83 -12.530 -16.559 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.512 -16.624 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.796 -18.216 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.656 -17.670 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.026 -17.051 -3.273 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.955 -14.038 -2.152 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.775 -13.149 -1.317 1.00 0.00 C ATOM 1296 C PRO A 84 -14.287 -13.205 0.124 1.00 0.00 C ATOM 1297 O PRO A 84 -14.252 -12.202 0.814 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.176 -13.755 -1.428 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.182 -14.437 -2.752 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.789 -14.960 -2.957 1.00 0.00 C ATOM 0 HA PRO A 84 -14.738 -12.104 -1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.370 -14.458 -0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.947 -12.986 -1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.909 -15.249 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.459 -13.744 -3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.692 -15.991 -2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.505 -14.944 -4.009 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.871 -14.391 0.538 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.309 -14.629 1.848 1.00 0.00 C ATOM 1310 C GLU A 85 -12.078 -13.772 2.099 1.00 0.00 C ATOM 1311 O GLU A 85 -11.958 -13.159 3.159 1.00 0.00 O ATOM 1312 CB GLU A 85 -12.952 -16.085 1.986 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.130 -17.007 1.898 1.00 0.00 C ATOM 1314 CD GLU A 85 -13.719 -18.436 1.954 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.489 -18.966 3.060 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -13.625 -19.061 0.903 1.00 0.00 O ATOM 0 H GLU A 85 -13.918 -15.229 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.060 -14.356 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.236 -16.349 1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.453 -16.238 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.819 -16.795 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.669 -16.820 0.969 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.175 -13.729 1.125 1.00 0.00 N ATOM 1324 CA ARG A 86 -9.985 -12.928 1.246 1.00 0.00 C ATOM 1325 C ARG A 86 -10.297 -11.464 1.319 1.00 0.00 C ATOM 1326 O ARG A 86 -9.634 -10.727 2.041 1.00 0.00 O ATOM 1327 CB ARG A 86 -8.972 -13.205 0.168 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.160 -14.475 0.346 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.538 -14.559 1.738 1.00 0.00 C ATOM 1330 NE ARG A 86 -6.932 -13.282 2.171 1.00 0.00 N ATOM 1331 CZ ARG A 86 -5.721 -13.150 2.708 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -4.843 -14.152 2.652 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -5.380 -11.981 3.267 1.00 0.00 N ATOM 0 H ARG A 86 -11.254 -14.243 0.247 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.530 -13.225 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.491 -13.257 -0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.285 -12.360 0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.800 -15.342 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.373 -14.512 -0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.303 -14.855 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.776 -15.338 1.744 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.486 -12.434 2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.097 -15.028 2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.917 -14.043 3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.045 -11.207 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.456 -11.865 3.682 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.288 -11.055 0.574 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.746 -9.694 0.586 1.00 0.00 C ATOM 1349 C LEU A 87 -12.327 -9.350 1.942 1.00 0.00 C ATOM 1350 O LEU A 87 -11.970 -8.346 2.545 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.787 -9.501 -0.498 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.335 -9.778 -1.909 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.446 -9.476 -2.888 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.127 -8.960 -2.211 1.00 0.00 C ATOM 0 H LEU A 87 -11.804 -11.662 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.904 -9.029 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.636 -10.147 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.147 -8.473 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.081 -10.834 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.103 -9.681 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.309 -10.102 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.728 -8.426 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.799 -9.159 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.369 -7.902 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.329 -9.220 -1.516 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.195 -10.206 2.418 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.832 -10.056 3.676 1.00 0.00 C ATOM 1368 C VAL A 88 -12.877 -10.023 4.847 1.00 0.00 C ATOM 1369 O VAL A 88 -13.003 -9.175 5.740 1.00 0.00 O ATOM 1370 CB VAL A 88 -14.994 -11.059 3.793 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.440 -11.136 5.193 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.164 -10.787 2.883 1.00 0.00 C ATOM 0 H VAL A 88 -13.478 -11.048 1.916 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.274 -9.061 3.725 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.595 -12.017 3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.263 -11.846 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.612 -11.466 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.776 -10.153 5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -16.930 -11.546 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.577 -9.803 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.832 -10.814 1.845 1.00 0.00 H new ATOM 1382 N GLU A 89 -11.927 -10.904 4.832 1.00 0.00 N ATOM 1383 CA GLU A 89 -10.864 -10.896 5.805 1.00 0.00 C ATOM 1384 C GLU A 89 -10.026 -9.616 5.737 1.00 0.00 C ATOM 1385 O GLU A 89 -9.513 -9.142 6.756 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.018 -12.123 5.656 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.591 -13.355 6.310 1.00 0.00 C ATOM 1388 CD GLU A 89 -10.702 -13.171 7.794 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -9.660 -13.029 8.454 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -11.821 -13.176 8.333 1.00 0.00 O ATOM 0 H GLU A 89 -11.860 -11.655 4.145 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.317 -10.909 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.873 -12.323 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.034 -11.925 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.574 -13.570 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.958 -14.215 6.093 1.00 0.00 H new ATOM 1397 N ALA A 90 -9.899 -9.072 4.549 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.124 -7.853 4.337 1.00 0.00 C ATOM 1399 C ALA A 90 -9.871 -6.581 4.731 1.00 0.00 C ATOM 1400 O ALA A 90 -9.272 -5.723 5.373 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.594 -7.769 2.933 1.00 0.00 C ATOM 0 H ALA A 90 -10.323 -9.452 3.703 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.273 -7.922 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.023 -6.848 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.948 -8.625 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.426 -7.773 2.229 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.174 -6.448 4.367 1.00 0.00 N ATOM 1408 CA GLU A 91 -11.971 -5.257 4.750 1.00 0.00 C ATOM 1409 C GLU A 91 -11.930 -4.933 6.238 1.00 0.00 C ATOM 1410 O GLU A 91 -12.158 -3.788 6.660 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.396 -5.383 4.283 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.625 -4.807 2.914 1.00 0.00 C ATOM 1413 CD GLU A 91 -13.615 -3.294 2.922 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -12.575 -2.673 3.215 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -14.692 -2.696 2.705 1.00 0.00 O ATOM 0 H GLU A 91 -11.686 -7.139 3.818 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.495 -4.418 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.678 -6.436 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.050 -4.881 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.853 -5.170 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.581 -5.160 2.528 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.675 -5.954 7.011 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.478 -5.874 8.440 1.00 0.00 C ATOM 1424 C LYS A 92 -10.386 -4.866 8.828 1.00 0.00 C ATOM 1425 O LYS A 92 -10.502 -4.176 9.835 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.131 -7.245 8.879 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.330 -8.136 8.715 1.00 0.00 C ATOM 1428 CD LYS A 92 -12.110 -9.465 9.287 1.00 0.00 C ATOM 1429 CE LYS A 92 -13.384 -10.288 9.201 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.266 -11.601 9.859 1.00 0.00 N ATOM 0 H LYS A 92 -11.595 -6.905 6.651 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.381 -5.511 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.296 -7.627 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.810 -7.236 9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.193 -7.674 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.567 -8.232 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -11.305 -9.970 8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.796 -9.374 10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.202 -9.731 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.645 -10.435 8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.140 -12.144 9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.462 -12.121 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.112 -11.466 10.879 1.00 0.00 H new ATOM 1444 N SER A 93 -9.343 -4.785 8.029 1.00 0.00 N ATOM 1445 CA SER A 93 -8.288 -3.831 8.250 1.00 0.00 C ATOM 1446 C SER A 93 -7.753 -3.199 6.942 1.00 0.00 C ATOM 1447 O SER A 93 -8.141 -2.091 6.568 1.00 0.00 O ATOM 1448 CB SER A 93 -7.175 -4.432 9.070 1.00 0.00 C ATOM 1449 OG SER A 93 -7.604 -4.809 10.370 1.00 0.00 O ATOM 0 H SER A 93 -9.207 -5.379 7.211 1.00 0.00 H new ATOM 0 HA SER A 93 -8.728 -3.012 8.820 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.778 -5.306 8.554 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.360 -3.713 9.153 1.00 0.00 H new ATOM 0 HG SER A 93 -6.862 -5.234 10.849 1.00 0.00 H new ATOM 1455 N TYR A 94 -6.893 -3.911 6.268 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.250 -3.489 5.040 1.00 0.00 C ATOM 1457 C TYR A 94 -5.558 -4.701 4.415 1.00 0.00 C ATOM 1458 O TYR A 94 -5.596 -5.809 4.974 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.104 -2.441 5.273 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.095 -2.596 6.357 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.490 -2.586 7.654 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.748 -2.658 6.078 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.596 -2.654 8.680 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.827 -2.715 7.091 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.255 -2.716 8.402 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.334 -2.774 9.439 1.00 0.00 O ATOM 0 H TYR A 94 -6.604 -4.842 6.567 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.031 -3.049 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.550 -2.370 4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.588 -1.477 5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.544 -2.522 7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.414 -2.662 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.941 -2.659 9.703 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.772 -2.759 6.864 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.427 -2.815 9.069 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.911 -4.465 3.302 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.019 -5.413 2.648 1.00 0.00 C ATOM 1478 C PHE A 95 -2.664 -4.785 2.649 1.00 0.00 C ATOM 1479 O PHE A 95 -2.568 -3.569 2.615 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.392 -5.666 1.179 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.268 -6.849 0.892 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.925 -8.107 1.361 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.395 -6.717 0.094 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.694 -9.213 1.044 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.174 -7.817 -0.221 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.820 -9.068 0.253 1.00 0.00 C ATOM 0 H PHE A 95 -4.988 -3.579 2.802 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.074 -6.363 3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.891 -4.775 0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.469 -5.782 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.048 -8.226 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.668 -5.744 -0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.415 -10.189 1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.055 -7.699 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.422 -9.930 0.006 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.621 -5.560 2.728 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.301 -4.981 2.638 1.00 0.00 C ATOM 1498 C ILE A 96 0.410 -5.492 1.386 1.00 0.00 C ATOM 1499 O ILE A 96 0.850 -6.625 1.335 1.00 0.00 O ATOM 1500 CB ILE A 96 0.562 -5.249 3.862 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.240 -5.019 5.132 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.759 -4.310 3.831 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.572 -5.127 6.385 1.00 0.00 C ATOM 0 H ILE A 96 -1.649 -6.572 2.852 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.441 -3.902 2.582 1.00 0.00 H new ATOM 0 HB ILE A 96 0.900 -6.285 3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.696 -4.030 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.054 -5.743 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.387 -4.492 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.338 -4.488 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.411 -3.277 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.068 -4.951 7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.006 -6.124 6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.370 -4.384 6.367 1.00 0.00 H new ATOM 1515 N LEU A 97 0.434 -4.671 0.377 1.00 0.00 N ATOM 1516 CA LEU A 97 1.069 -4.974 -0.887 1.00 0.00 C ATOM 1517 C LEU A 97 2.564 -4.786 -0.721 1.00 0.00 C ATOM 1518 O LEU A 97 3.077 -3.669 -0.622 1.00 0.00 O ATOM 1519 CB LEU A 97 0.476 -4.015 -1.940 1.00 0.00 C ATOM 1520 CG LEU A 97 0.569 -4.362 -3.444 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.587 -3.525 -4.148 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.819 -5.841 -3.678 1.00 0.00 C ATOM 0 H LEU A 97 0.003 -3.747 0.404 1.00 0.00 H new ATOM 0 HA LEU A 97 0.894 -6.000 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.580 -3.886 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.955 -3.046 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.405 -4.127 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.620 -3.802 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.318 -2.473 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.567 -3.690 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.876 -6.035 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.758 -6.130 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.002 -6.421 -3.247 1.00 0.00 H new ATOM 1534 N ARG A 98 3.242 -5.887 -0.614 1.00 0.00 N ATOM 1535 CA ARG A 98 4.653 -5.896 -0.317 1.00 0.00 C ATOM 1536 C ARG A 98 5.390 -6.675 -1.331 1.00 0.00 C ATOM 1537 O ARG A 98 4.790 -7.466 -2.085 1.00 0.00 O ATOM 1538 CB ARG A 98 4.901 -6.620 0.979 1.00 0.00 C ATOM 1539 CG ARG A 98 4.145 -6.120 2.142 1.00 0.00 C ATOM 1540 CD ARG A 98 4.474 -6.929 3.358 1.00 0.00 C ATOM 1541 NE ARG A 98 5.883 -6.789 3.753 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.330 -6.906 5.004 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.487 -7.225 5.993 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.617 -6.731 5.268 1.00 0.00 N ATOM 0 H ARG A 98 2.835 -6.815 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 98 4.979 -4.856 -0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.661 -7.674 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.965 -6.564 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.385 -5.071 2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.075 -6.172 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.834 -6.617 4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.255 -7.979 3.164 1.00 0.00 H new ATOM 0 HE ARG A 98 6.565 -6.589 3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.499 -7.380 5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.832 -7.314 6.949 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.266 -6.507 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.958 -6.821 6.225 1.00 0.00 H new ATOM 1558 N MET A 99 6.689 -6.486 -1.346 1.00 0.00 N ATOM 1559 CA MET A 99 7.519 -7.305 -2.129 1.00 0.00 C ATOM 1560 C MET A 99 7.709 -8.591 -1.369 1.00 0.00 C ATOM 1561 O MET A 99 8.111 -8.585 -0.196 1.00 0.00 O ATOM 1562 CB MET A 99 8.850 -6.676 -2.443 1.00 0.00 C ATOM 1563 CG MET A 99 8.743 -5.360 -3.151 1.00 0.00 C ATOM 1564 SD MET A 99 10.276 -4.824 -3.926 1.00 0.00 S ATOM 1565 CE MET A 99 10.392 -6.014 -5.272 1.00 0.00 C ATOM 0 H MET A 99 7.175 -5.763 -0.815 1.00 0.00 H new ATOM 0 HA MET A 99 7.044 -7.471 -3.096 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.403 -6.535 -1.514 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.430 -7.363 -3.058 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.967 -5.430 -3.913 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.422 -4.600 -2.439 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.031 -5.612 -6.059 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.818 -6.945 -4.899 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.397 -6.206 -5.675 1.00 0.00 H new