USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 981 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 98 SER OG : rot -111:sc= 0.768 USER MOD Set 1.2: A 124 TYR OH : rot -169:sc= 1.18 USER MOD Set 2.1: A 52 SER OG : rot 160:sc= 1.17 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= 1.11 USER MOD Set 3.1: A 12 HIS : no HD1:sc= 0.255 K(o=1.3,f=-3.5) USER MOD Set 3.2: A 16 THR OG1 : rot -122:sc= 1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0335 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 142:sc= -0.769 (180deg=-2.99!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 45 MET CE :methyl -173:sc= -0.106 (180deg=-0.156) USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= 1.26 (180deg=1.12) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.17) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -146:sc= -0.0518 (180deg=-0.0674) USER MOD Single : A 74 CYS SG : rot 175:sc= 0.263 USER MOD Single : A 76 LYS NZ :NH3+ -146:sc= 2.46 (180deg=1.2) USER MOD Single : A 78 MET CE :methyl -151:sc= -0.133 (180deg=-0.213) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= 1.11 (180deg=0.857) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 110 GLN : amide:sc= -0.579 K(o=-0.58,f=-0.00092) USER MOD Single : A 118 TYR OH : rot 30:sc= 0.205 USER MOD Single : A 125 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.487 -14.830 -4.909 1.00 0.00 N ATOM 2 CA MET A 1 11.737 -14.124 -3.839 1.00 0.00 C ATOM 3 C MET A 1 11.467 -12.671 -4.241 1.00 0.00 C ATOM 4 O MET A 1 12.271 -12.057 -4.947 1.00 0.00 O ATOM 5 CB MET A 1 12.467 -14.170 -2.478 1.00 0.00 C ATOM 6 CG MET A 1 12.263 -15.497 -1.737 1.00 0.00 C ATOM 7 SD MET A 1 10.534 -15.843 -1.297 1.00 0.00 S ATOM 8 CE MET A 1 10.753 -17.416 -0.421 1.00 0.00 C ATOM 0 H1 MET A 1 13.122 -15.534 -4.481 1.00 0.00 H new ATOM 0 H2 MET A 1 11.817 -15.309 -5.544 1.00 0.00 H new ATOM 0 H3 MET A 1 13.047 -14.142 -5.452 1.00 0.00 H new ATOM 0 HA MET A 1 10.789 -14.649 -3.718 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.533 -14.009 -2.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.111 -13.352 -1.852 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.638 -16.310 -2.359 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.864 -15.489 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.784 -17.779 -0.077 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.197 -18.149 -1.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.410 -17.267 0.436 1.00 0.00 H new ATOM 20 N ALA A 2 10.335 -12.109 -3.787 1.00 0.00 N ATOM 21 CA ALA A 2 10.000 -10.703 -4.017 1.00 0.00 C ATOM 22 C ALA A 2 11.046 -9.782 -3.380 1.00 0.00 C ATOM 23 O ALA A 2 11.467 -8.811 -4.011 1.00 0.00 O ATOM 24 CB ALA A 2 8.604 -10.398 -3.460 1.00 0.00 C ATOM 0 H ALA A 2 9.631 -12.618 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 2 9.999 -10.518 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.363 -9.350 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.868 -11.028 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.588 -10.599 -2.389 1.00 0.00 H new ATOM 30 N SER A 3 11.476 -10.107 -2.153 1.00 0.00 N ATOM 31 CA SER A 3 12.454 -9.349 -1.370 1.00 0.00 C ATOM 32 C SER A 3 12.115 -7.846 -1.299 1.00 0.00 C ATOM 33 O SER A 3 13.006 -6.995 -1.240 1.00 0.00 O ATOM 34 CB SER A 3 13.869 -9.644 -1.894 1.00 0.00 C ATOM 35 OG SER A 3 14.095 -11.046 -1.981 1.00 0.00 O ATOM 0 H SER A 3 11.138 -10.936 -1.663 1.00 0.00 H new ATOM 0 HA SER A 3 12.413 -9.680 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.000 -9.189 -2.876 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.608 -9.193 -1.232 1.00 0.00 H new ATOM 0 HG SER A 3 15.000 -11.211 -2.318 1.00 0.00 H new ATOM 41 N VAL A 4 10.821 -7.519 -1.332 1.00 0.00 N ATOM 42 CA VAL A 4 10.304 -6.159 -1.235 1.00 0.00 C ATOM 43 C VAL A 4 10.116 -5.780 0.244 1.00 0.00 C ATOM 44 O VAL A 4 10.146 -4.600 0.594 1.00 0.00 O ATOM 45 CB VAL A 4 9.011 -6.067 -2.078 1.00 0.00 C ATOM 46 CG1 VAL A 4 7.880 -6.972 -1.558 1.00 0.00 C ATOM 47 CG2 VAL A 4 8.524 -4.619 -2.205 1.00 0.00 C ATOM 0 H VAL A 4 10.084 -8.218 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 4 11.006 -5.431 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 4 9.279 -6.435 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.002 -6.859 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.209 -8.011 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.627 -6.687 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.614 -4.593 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.318 -4.216 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.294 -4.017 -2.688 1.00 0.00 H new ATOM 57 N GLU A 5 9.955 -6.783 1.111 1.00 0.00 N ATOM 58 CA GLU A 5 9.808 -6.654 2.550 1.00 0.00 C ATOM 59 C GLU A 5 11.006 -5.869 3.104 1.00 0.00 C ATOM 60 O GLU A 5 12.156 -6.233 2.835 1.00 0.00 O ATOM 61 CB GLU A 5 9.713 -8.056 3.191 1.00 0.00 C ATOM 62 CG GLU A 5 8.624 -8.977 2.600 1.00 0.00 C ATOM 63 CD GLU A 5 9.130 -9.915 1.483 1.00 0.00 C ATOM 64 OE1 GLU A 5 9.500 -9.430 0.390 1.00 0.00 O ATOM 65 OE2 GLU A 5 9.110 -11.152 1.676 1.00 0.00 O ATOM 0 H GLU A 5 9.923 -7.755 0.805 1.00 0.00 H new ATOM 0 HA GLU A 5 8.893 -6.112 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.679 -8.551 3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.526 -7.938 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.199 -9.581 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.817 -8.360 2.204 1.00 0.00 H new ATOM 72 N ARG A 6 10.754 -4.791 3.862 1.00 0.00 N ATOM 73 CA ARG A 6 11.830 -3.948 4.403 1.00 0.00 C ATOM 74 C ARG A 6 12.751 -4.758 5.320 1.00 0.00 C ATOM 75 O ARG A 6 13.964 -4.551 5.314 1.00 0.00 O ATOM 76 CB ARG A 6 11.254 -2.694 5.099 1.00 0.00 C ATOM 77 CG ARG A 6 10.680 -2.965 6.502 1.00 0.00 C ATOM 78 CD ARG A 6 9.735 -1.874 7.009 1.00 0.00 C ATOM 79 NE ARG A 6 10.372 -0.559 7.228 1.00 0.00 N ATOM 80 CZ ARG A 6 9.724 0.601 7.039 1.00 0.00 C ATOM 81 NH1 ARG A 6 8.770 0.703 6.126 1.00 0.00 N ATOM 82 NH2 ARG A 6 9.989 1.666 7.783 1.00 0.00 N ATOM 0 H ARG A 6 9.815 -4.483 4.114 1.00 0.00 H new ATOM 0 HA ARG A 6 12.443 -3.594 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 6 12.039 -1.942 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.469 -2.271 4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.147 -3.915 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.505 -3.073 7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.922 -1.754 6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.287 -2.206 7.946 1.00 0.00 H new ATOM 0 HE ARG A 6 11.344 -0.532 7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.520 -0.106 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.285 1.590 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.697 1.613 8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.485 2.538 7.623 1.00 0.00 H new ATOM 96 N ASP A 7 12.169 -5.678 6.092 1.00 0.00 N ATOM 97 CA ASP A 7 12.818 -6.589 7.024 1.00 0.00 C ATOM 98 C ASP A 7 11.756 -7.612 7.439 1.00 0.00 C ATOM 99 O ASP A 7 10.558 -7.316 7.369 1.00 0.00 O ATOM 100 CB ASP A 7 13.314 -5.820 8.260 1.00 0.00 C ATOM 101 CG ASP A 7 13.998 -6.759 9.258 1.00 0.00 C ATOM 102 OD1 ASP A 7 15.177 -7.121 9.046 1.00 0.00 O ATOM 103 OD2 ASP A 7 13.341 -7.146 10.247 1.00 0.00 O ATOM 0 H ASP A 7 11.158 -5.812 6.078 1.00 0.00 H new ATOM 0 HA ASP A 7 13.680 -7.073 6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.012 -5.042 7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.474 -5.321 8.743 1.00 0.00 H new ATOM 108 N GLU A 8 12.167 -8.795 7.902 1.00 0.00 N ATOM 109 CA GLU A 8 11.265 -9.848 8.378 1.00 0.00 C ATOM 110 C GLU A 8 10.372 -9.383 9.540 1.00 0.00 C ATOM 111 O GLU A 8 9.325 -9.985 9.778 1.00 0.00 O ATOM 112 CB GLU A 8 12.070 -11.094 8.784 1.00 0.00 C ATOM 113 CG GLU A 8 12.782 -11.745 7.589 1.00 0.00 C ATOM 114 CD GLU A 8 13.514 -13.034 8.004 1.00 0.00 C ATOM 115 OE1 GLU A 8 14.701 -12.969 8.396 1.00 0.00 O ATOM 116 OE2 GLU A 8 12.919 -14.133 7.923 1.00 0.00 O ATOM 0 H GLU A 8 13.152 -9.053 7.958 1.00 0.00 H new ATOM 0 HA GLU A 8 10.601 -10.099 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.808 -10.817 9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.402 -11.821 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.054 -11.973 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.496 -11.041 7.162 1.00 0.00 H new ATOM 123 N THR A 9 10.727 -8.293 10.227 1.00 0.00 N ATOM 124 CA THR A 9 9.874 -7.624 11.204 1.00 0.00 C ATOM 125 C THR A 9 8.469 -7.359 10.646 1.00 0.00 C ATOM 126 O THR A 9 7.495 -7.504 11.387 1.00 0.00 O ATOM 127 CB THR A 9 10.568 -6.326 11.658 1.00 0.00 C ATOM 128 OG1 THR A 9 11.813 -6.623 12.256 1.00 0.00 O ATOM 129 CG2 THR A 9 9.748 -5.496 12.653 1.00 0.00 C ATOM 0 H THR A 9 11.636 -7.844 10.114 1.00 0.00 H new ATOM 0 HA THR A 9 9.734 -8.275 12.067 1.00 0.00 H new ATOM 0 HB THR A 9 10.689 -5.730 10.753 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.514 -6.619 11.571 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.305 -4.599 12.924 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.801 -5.211 12.195 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.555 -6.087 13.548 1.00 0.00 H new ATOM 137 N ARG A 10 8.313 -7.006 9.362 1.00 0.00 N ATOM 138 CA ARG A 10 6.972 -6.765 8.828 1.00 0.00 C ATOM 139 C ARG A 10 6.209 -8.069 8.660 1.00 0.00 C ATOM 140 O ARG A 10 5.037 -8.098 9.012 1.00 0.00 O ATOM 141 CB ARG A 10 7.005 -5.936 7.532 1.00 0.00 C ATOM 142 CG ARG A 10 7.344 -4.455 7.783 1.00 0.00 C ATOM 143 CD ARG A 10 6.263 -3.713 8.589 1.00 0.00 C ATOM 144 NE ARG A 10 6.650 -2.326 8.906 1.00 0.00 N ATOM 145 CZ ARG A 10 6.436 -1.238 8.155 1.00 0.00 C ATOM 146 NH1 ARG A 10 5.875 -1.317 6.955 1.00 0.00 N ATOM 147 NH2 ARG A 10 6.803 -0.047 8.606 1.00 0.00 N ATOM 0 H ARG A 10 9.075 -6.885 8.695 1.00 0.00 H new ATOM 0 HA ARG A 10 6.430 -6.164 9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.741 -6.363 6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.036 -6.004 7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.293 -4.392 8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.482 -3.953 6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.332 -3.707 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.069 -4.254 9.515 1.00 0.00 H new ATOM 0 HE ARG A 10 7.133 -2.179 9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.594 -2.224 6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.725 -0.471 6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.246 0.038 9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.642 0.785 8.038 1.00 0.00 H new ATOM 161 N GLU A 11 6.840 -9.156 8.213 1.00 0.00 N ATOM 162 CA GLU A 11 6.171 -10.456 8.154 1.00 0.00 C ATOM 163 C GLU A 11 5.751 -10.893 9.562 1.00 0.00 C ATOM 164 O GLU A 11 4.630 -11.371 9.745 1.00 0.00 O ATOM 165 CB GLU A 11 7.078 -11.510 7.498 1.00 0.00 C ATOM 166 CG GLU A 11 7.265 -11.288 5.990 1.00 0.00 C ATOM 167 CD GLU A 11 5.948 -11.431 5.204 1.00 0.00 C ATOM 168 OE1 GLU A 11 5.347 -12.530 5.217 1.00 0.00 O ATOM 169 OE2 GLU A 11 5.508 -10.447 4.570 1.00 0.00 O ATOM 0 H GLU A 11 7.807 -9.162 7.889 1.00 0.00 H new ATOM 0 HA GLU A 11 5.277 -10.361 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.053 -11.496 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.653 -12.500 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.679 -10.294 5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.992 -12.005 5.608 1.00 0.00 H new ATOM 176 N HIS A 12 6.613 -10.673 10.562 1.00 0.00 N ATOM 177 CA HIS A 12 6.293 -10.947 11.956 1.00 0.00 C ATOM 178 C HIS A 12 5.073 -10.134 12.384 1.00 0.00 C ATOM 179 O HIS A 12 4.120 -10.718 12.888 1.00 0.00 O ATOM 180 CB HIS A 12 7.510 -10.660 12.851 1.00 0.00 C ATOM 181 CG HIS A 12 7.339 -10.958 14.327 1.00 0.00 C ATOM 182 ND1 HIS A 12 6.187 -10.895 15.091 1.00 0.00 N ATOM 183 CD2 HIS A 12 8.362 -11.261 15.188 1.00 0.00 C ATOM 184 CE1 HIS A 12 6.515 -11.149 16.367 1.00 0.00 C ATOM 185 NE2 HIS A 12 7.835 -11.386 16.481 1.00 0.00 N ATOM 0 H HIS A 12 7.552 -10.299 10.421 1.00 0.00 H new ATOM 0 HA HIS A 12 6.046 -12.003 12.067 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.354 -11.242 12.479 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.775 -9.608 12.742 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.400 -11.383 14.916 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.816 -11.162 17.190 1.00 0.00 H new ATOM 0 HE2 HIS A 12 8.347 -11.611 17.334 1.00 0.00 H new ATOM 193 N ARG A 13 5.071 -8.808 12.207 1.00 0.00 N ATOM 194 CA ARG A 13 3.966 -7.974 12.685 1.00 0.00 C ATOM 195 C ARG A 13 2.690 -8.218 11.887 1.00 0.00 C ATOM 196 O ARG A 13 1.613 -8.112 12.462 1.00 0.00 O ATOM 197 CB ARG A 13 4.347 -6.485 12.684 1.00 0.00 C ATOM 198 CG ARG A 13 5.408 -6.118 13.738 1.00 0.00 C ATOM 199 CD ARG A 13 4.910 -6.240 15.189 1.00 0.00 C ATOM 200 NE ARG A 13 5.981 -5.896 16.140 1.00 0.00 N ATOM 201 CZ ARG A 13 5.889 -5.905 17.477 1.00 0.00 C ATOM 202 NH1 ARG A 13 4.741 -6.172 18.094 1.00 0.00 N ATOM 203 NH2 ARG A 13 6.970 -5.640 18.205 1.00 0.00 N ATOM 0 H ARG A 13 5.817 -8.293 11.739 1.00 0.00 H new ATOM 0 HA ARG A 13 3.765 -8.264 13.716 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.720 -6.215 11.696 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.451 -5.889 12.860 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.276 -6.764 13.606 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.742 -5.095 13.563 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.056 -5.580 15.342 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.565 -7.257 15.375 1.00 0.00 H new ATOM 0 HE ARG A 13 6.880 -5.625 15.742 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.904 -6.376 17.548 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.698 -6.172 19.113 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.856 -5.433 17.745 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.913 -5.644 19.223 1.00 0.00 H new ATOM 217 N ILE A 14 2.762 -8.585 10.609 1.00 0.00 N ATOM 218 CA ILE A 14 1.590 -9.035 9.868 1.00 0.00 C ATOM 219 C ILE A 14 0.991 -10.218 10.640 1.00 0.00 C ATOM 220 O ILE A 14 -0.177 -10.169 11.035 1.00 0.00 O ATOM 221 CB ILE A 14 1.986 -9.339 8.401 1.00 0.00 C ATOM 222 CG1 ILE A 14 2.194 -8.009 7.639 1.00 0.00 C ATOM 223 CG2 ILE A 14 0.945 -10.205 7.668 1.00 0.00 C ATOM 224 CD1 ILE A 14 2.984 -8.153 6.333 1.00 0.00 C ATOM 0 H ILE A 14 3.625 -8.579 10.065 1.00 0.00 H new ATOM 0 HA ILE A 14 0.815 -8.272 9.793 1.00 0.00 H new ATOM 0 HB ILE A 14 2.912 -9.913 8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.220 -7.574 7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.714 -7.307 8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.277 -10.385 6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.834 -11.157 8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.014 -9.687 7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.086 -7.176 5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.973 -8.557 6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.455 -8.828 5.660 1.00 0.00 H new ATOM 236 N GLU A 15 1.801 -11.240 10.921 1.00 0.00 N ATOM 237 CA GLU A 15 1.344 -12.447 11.589 1.00 0.00 C ATOM 238 C GLU A 15 0.814 -12.159 12.999 1.00 0.00 C ATOM 239 O GLU A 15 -0.258 -12.653 13.332 1.00 0.00 O ATOM 240 CB GLU A 15 2.489 -13.472 11.603 1.00 0.00 C ATOM 241 CG GLU A 15 2.117 -14.805 12.270 1.00 0.00 C ATOM 242 CD GLU A 15 0.955 -15.556 11.589 1.00 0.00 C ATOM 243 OE1 GLU A 15 0.843 -15.538 10.343 1.00 0.00 O ATOM 244 OE2 GLU A 15 0.172 -16.223 12.302 1.00 0.00 O ATOM 0 H GLU A 15 2.794 -11.248 10.689 1.00 0.00 H new ATOM 0 HA GLU A 15 0.501 -12.862 11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.805 -13.665 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.344 -13.041 12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.995 -15.451 12.278 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.851 -14.615 13.310 1.00 0.00 H new ATOM 251 N THR A 16 1.506 -11.368 13.821 1.00 0.00 N ATOM 252 CA THR A 16 1.167 -11.240 15.239 1.00 0.00 C ATOM 253 C THR A 16 0.257 -10.042 15.548 1.00 0.00 C ATOM 254 O THR A 16 -0.290 -9.973 16.650 1.00 0.00 O ATOM 255 CB THR A 16 2.463 -11.233 16.075 1.00 0.00 C ATOM 256 OG1 THR A 16 3.361 -10.219 15.655 1.00 0.00 O ATOM 257 CG2 THR A 16 3.194 -12.576 15.956 1.00 0.00 C ATOM 0 H THR A 16 2.305 -10.806 13.528 1.00 0.00 H new ATOM 0 HA THR A 16 0.570 -12.108 15.520 1.00 0.00 H new ATOM 0 HB THR A 16 2.160 -11.047 17.105 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.218 -10.624 15.406 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.105 -12.549 16.554 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.547 -13.376 16.317 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.450 -12.760 14.913 1.00 0.00 H new ATOM 265 N GLU A 17 0.060 -9.118 14.601 1.00 0.00 N ATOM 266 CA GLU A 17 -0.605 -7.838 14.851 1.00 0.00 C ATOM 267 C GLU A 17 -1.758 -7.569 13.874 1.00 0.00 C ATOM 268 O GLU A 17 -2.600 -6.722 14.179 1.00 0.00 O ATOM 269 CB GLU A 17 0.433 -6.695 14.795 1.00 0.00 C ATOM 270 CG GLU A 17 0.310 -5.693 15.947 1.00 0.00 C ATOM 271 CD GLU A 17 0.883 -6.263 17.256 1.00 0.00 C ATOM 272 OE1 GLU A 17 2.117 -6.467 17.333 1.00 0.00 O ATOM 273 OE2 GLU A 17 0.113 -6.473 18.221 1.00 0.00 O ATOM 0 H GLU A 17 0.360 -9.240 13.634 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.047 -7.886 15.846 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.434 -7.125 14.805 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.324 -6.163 13.850 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.836 -4.774 15.689 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.738 -5.431 16.092 1.00 0.00 H new ATOM 280 N ILE A 18 -1.838 -8.275 12.734 1.00 0.00 N ATOM 281 CA ILE A 18 -2.822 -7.979 11.687 1.00 0.00 C ATOM 282 C ILE A 18 -3.708 -9.202 11.412 1.00 0.00 C ATOM 283 O ILE A 18 -4.927 -9.041 11.336 1.00 0.00 O ATOM 284 CB ILE A 18 -2.134 -7.433 10.403 1.00 0.00 C ATOM 285 CG1 ILE A 18 -1.128 -6.301 10.734 1.00 0.00 C ATOM 286 CG2 ILE A 18 -3.186 -6.925 9.398 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.494 -5.613 9.519 1.00 0.00 C ATOM 0 H ILE A 18 -1.226 -9.061 12.516 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.479 -7.185 12.043 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.581 -8.257 9.953 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.639 -5.547 11.333 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.332 -6.714 11.353 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.685 -6.547 8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.850 -7.744 9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.768 -6.124 9.854 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.193 -4.838 9.857 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.052 -6.349 8.928 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.276 -5.163 8.907 1.00 0.00 H new ATOM 299 N ILE A 19 -3.145 -10.415 11.310 1.00 0.00 N ATOM 300 CA ILE A 19 -3.884 -11.588 10.828 1.00 0.00 C ATOM 301 C ILE A 19 -3.758 -12.824 11.745 1.00 0.00 C ATOM 302 O ILE A 19 -3.969 -13.945 11.289 1.00 0.00 O ATOM 303 CB ILE A 19 -3.478 -11.862 9.367 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.968 -12.141 9.271 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.863 -10.691 8.435 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.653 -13.037 8.090 1.00 0.00 C ATOM 0 H ILE A 19 -2.174 -10.608 11.557 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.950 -11.363 10.861 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.026 -12.744 9.036 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.427 -11.200 9.172 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.623 -12.612 10.191 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.560 -10.924 7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.942 -10.540 8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.359 -9.782 8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.579 -13.218 8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.176 -13.986 8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.977 -12.552 7.169 1.00 0.00 H new ATOM 318 N VAL A 20 -3.418 -12.644 13.025 1.00 0.00 N ATOM 319 CA VAL A 20 -3.072 -13.730 13.952 1.00 0.00 C ATOM 320 C VAL A 20 -4.081 -14.890 14.001 1.00 0.00 C ATOM 321 O VAL A 20 -3.673 -16.050 14.089 1.00 0.00 O ATOM 322 CB VAL A 20 -2.780 -13.128 15.346 1.00 0.00 C ATOM 323 CG1 VAL A 20 -4.045 -12.615 16.055 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.053 -14.125 16.256 1.00 0.00 C ATOM 0 H VAL A 20 -3.374 -11.721 13.456 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.173 -14.209 13.565 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.130 -12.273 15.161 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.776 -12.204 17.028 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.511 -11.838 15.450 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.746 -13.439 16.190 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.866 -13.663 17.226 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.671 -15.013 16.390 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.104 -14.408 15.800 1.00 0.00 H new ATOM 334 N ASP A 21 -5.384 -14.601 13.917 1.00 0.00 N ATOM 335 CA ASP A 21 -6.461 -15.600 14.006 1.00 0.00 C ATOM 336 C ASP A 21 -7.208 -15.732 12.662 1.00 0.00 C ATOM 337 O ASP A 21 -8.198 -16.474 12.523 1.00 0.00 O ATOM 338 CB ASP A 21 -7.406 -15.196 15.148 1.00 0.00 C ATOM 339 CG ASP A 21 -8.490 -16.250 15.427 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.148 -17.418 15.722 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.693 -15.904 15.418 1.00 0.00 O ATOM 0 H ASP A 21 -5.729 -13.650 13.783 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.040 -16.582 14.222 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.823 -15.032 16.055 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.883 -14.248 14.900 1.00 0.00 H new ATOM 346 N ALA A 22 -6.710 -14.989 11.664 1.00 0.00 N ATOM 347 CA ALA A 22 -7.350 -14.771 10.389 1.00 0.00 C ATOM 348 C ALA A 22 -6.623 -15.503 9.275 1.00 0.00 C ATOM 349 O ALA A 22 -5.454 -15.255 8.969 1.00 0.00 O ATOM 350 CB ALA A 22 -7.416 -13.286 10.066 1.00 0.00 C ATOM 0 H ALA A 22 -5.813 -14.510 11.741 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.363 -15.166 10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.902 -13.145 9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.987 -12.771 10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.406 -12.877 10.027 1.00 0.00 H new ATOM 356 N GLU A 23 -7.378 -16.360 8.614 1.00 0.00 N ATOM 357 CA GLU A 23 -6.942 -17.145 7.462 1.00 0.00 C ATOM 358 C GLU A 23 -8.076 -17.540 6.527 1.00 0.00 C ATOM 359 O GLU A 23 -7.834 -17.879 5.368 1.00 0.00 O ATOM 360 CB GLU A 23 -6.121 -18.350 7.916 1.00 0.00 C ATOM 361 CG GLU A 23 -6.841 -19.648 8.299 1.00 0.00 C ATOM 362 CD GLU A 23 -7.583 -19.592 9.641 1.00 0.00 C ATOM 363 OE1 GLU A 23 -7.170 -18.887 10.586 1.00 0.00 O ATOM 364 OE2 GLU A 23 -8.626 -20.262 9.798 1.00 0.00 O ATOM 0 H GLU A 23 -8.349 -16.539 8.870 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.301 -16.497 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.420 -18.588 7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.529 -18.038 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.555 -19.898 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.111 -20.456 8.335 1.00 0.00 H new ATOM 371 N ASP A 24 -9.310 -17.488 7.022 1.00 0.00 N ATOM 372 CA ASP A 24 -10.486 -17.608 6.184 1.00 0.00 C ATOM 373 C ASP A 24 -10.499 -16.280 5.417 1.00 0.00 C ATOM 374 O ASP A 24 -10.190 -15.230 5.995 1.00 0.00 O ATOM 375 CB ASP A 24 -11.751 -17.819 7.029 1.00 0.00 C ATOM 376 CG ASP A 24 -11.713 -19.092 7.905 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.984 -20.190 7.366 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.448 -19.011 9.134 1.00 0.00 O ATOM 0 H ASP A 24 -9.516 -17.362 8.013 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.464 -18.470 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.895 -16.951 7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.615 -17.872 6.366 1.00 0.00 H new ATOM 383 N LYS A 25 -10.816 -16.304 4.119 1.00 0.00 N ATOM 384 CA LYS A 25 -10.624 -15.134 3.247 1.00 0.00 C ATOM 385 C LYS A 25 -11.260 -13.850 3.782 1.00 0.00 C ATOM 386 O LYS A 25 -10.664 -12.779 3.665 1.00 0.00 O ATOM 387 CB LYS A 25 -11.021 -15.426 1.784 1.00 0.00 C ATOM 388 CG LYS A 25 -12.525 -15.432 1.441 1.00 0.00 C ATOM 389 CD LYS A 25 -13.352 -16.607 1.989 1.00 0.00 C ATOM 390 CE LYS A 25 -12.949 -17.941 1.338 1.00 0.00 C ATOM 391 NZ LYS A 25 -13.816 -19.067 1.771 1.00 0.00 N ATOM 0 H LYS A 25 -11.207 -17.119 3.646 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.551 -14.941 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.534 -14.685 1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.610 -16.398 1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.963 -14.505 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.627 -15.421 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.218 -16.674 3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.411 -16.421 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.000 -17.843 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.913 -18.166 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.505 -19.943 1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.749 -19.180 2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.802 -18.867 1.508 1.00 0.00 H new ATOM 405 N GLU A 26 -12.445 -13.959 4.389 1.00 0.00 N ATOM 406 CA GLU A 26 -13.164 -12.808 4.910 1.00 0.00 C ATOM 407 C GLU A 26 -12.396 -12.223 6.093 1.00 0.00 C ATOM 408 O GLU A 26 -12.244 -11.005 6.189 1.00 0.00 O ATOM 409 CB GLU A 26 -14.586 -13.214 5.333 1.00 0.00 C ATOM 410 CG GLU A 26 -15.443 -13.677 4.144 1.00 0.00 C ATOM 411 CD GLU A 26 -16.879 -14.016 4.582 1.00 0.00 C ATOM 412 OE1 GLU A 26 -17.132 -15.159 5.028 1.00 0.00 O ATOM 413 OE2 GLU A 26 -17.778 -13.153 4.466 1.00 0.00 O ATOM 0 H GLU A 26 -12.926 -14.847 4.530 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.246 -12.050 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.528 -14.016 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.072 -12.369 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.468 -12.895 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.986 -14.553 3.684 1.00 0.00 H new ATOM 420 N GLU A 27 -11.861 -13.075 6.974 1.00 0.00 N ATOM 421 CA GLU A 27 -11.143 -12.627 8.155 1.00 0.00 C ATOM 422 C GLU A 27 -9.863 -11.930 7.737 1.00 0.00 C ATOM 423 O GLU A 27 -9.543 -10.872 8.271 1.00 0.00 O ATOM 424 CB GLU A 27 -10.725 -13.805 9.034 1.00 0.00 C ATOM 425 CG GLU A 27 -11.846 -14.738 9.468 1.00 0.00 C ATOM 426 CD GLU A 27 -11.246 -15.935 10.209 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.184 -16.470 9.796 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.816 -16.359 11.240 1.00 0.00 O ATOM 0 H GLU A 27 -11.917 -14.089 6.882 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.811 -11.964 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.979 -14.390 8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.238 -13.413 9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.546 -14.209 10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.409 -15.078 8.599 1.00 0.00 H new ATOM 435 N ARG A 28 -9.101 -12.535 6.817 1.00 0.00 N ATOM 436 CA ARG A 28 -7.782 -12.007 6.485 1.00 0.00 C ATOM 437 C ARG A 28 -7.935 -10.645 5.813 1.00 0.00 C ATOM 438 O ARG A 28 -7.184 -9.728 6.143 1.00 0.00 O ATOM 439 CB ARG A 28 -6.978 -13.043 5.678 1.00 0.00 C ATOM 440 CG ARG A 28 -5.483 -12.682 5.665 1.00 0.00 C ATOM 441 CD ARG A 28 -4.583 -13.848 5.230 1.00 0.00 C ATOM 442 NE ARG A 28 -4.333 -14.772 6.349 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.504 -15.822 6.351 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.854 -16.200 5.254 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.346 -16.488 7.489 1.00 0.00 N ATOM 0 H ARG A 28 -9.372 -13.373 6.302 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.193 -11.833 7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.114 -14.034 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.355 -13.088 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.325 -11.839 4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.186 -12.354 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.053 -14.387 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.635 -13.460 4.856 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.845 -14.593 7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.982 -15.685 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.228 -17.005 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.849 -16.194 8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.721 -17.294 7.526 1.00 0.00 H new ATOM 459 N ALA A 29 -8.945 -10.479 4.956 1.00 0.00 N ATOM 460 CA ALA A 29 -9.280 -9.188 4.379 1.00 0.00 C ATOM 461 C ALA A 29 -9.645 -8.178 5.477 1.00 0.00 C ATOM 462 O ALA A 29 -9.121 -7.063 5.478 1.00 0.00 O ATOM 463 CB ALA A 29 -10.414 -9.389 3.368 1.00 0.00 C ATOM 0 H ALA A 29 -9.550 -11.240 4.647 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.419 -8.771 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.680 -8.430 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.087 -10.073 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.284 -9.807 3.875 1.00 0.00 H new ATOM 469 N MET A 30 -10.492 -8.560 6.440 1.00 0.00 N ATOM 470 CA MET A 30 -10.885 -7.669 7.531 1.00 0.00 C ATOM 471 C MET A 30 -9.719 -7.305 8.451 1.00 0.00 C ATOM 472 O MET A 30 -9.629 -6.148 8.856 1.00 0.00 O ATOM 473 CB MET A 30 -12.059 -8.250 8.326 1.00 0.00 C ATOM 474 CG MET A 30 -13.378 -8.233 7.540 1.00 0.00 C ATOM 475 SD MET A 30 -14.058 -6.603 7.100 1.00 0.00 S ATOM 476 CE MET A 30 -13.293 -6.288 5.482 1.00 0.00 C ATOM 0 H MET A 30 -10.919 -9.485 6.483 1.00 0.00 H new ATOM 0 HA MET A 30 -11.213 -6.739 7.067 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.826 -9.275 8.612 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.184 -7.682 9.248 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.231 -8.798 6.620 1.00 0.00 H new ATOM 0 HG3 MET A 30 -14.128 -8.766 8.125 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.013 -5.795 4.829 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.421 -5.647 5.611 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.986 -7.233 5.035 1.00 0.00 H new ATOM 486 N GLY A 31 -8.807 -8.232 8.751 1.00 0.00 N ATOM 487 CA GLY A 31 -7.649 -7.961 9.591 1.00 0.00 C ATOM 488 C GLY A 31 -6.805 -6.845 8.984 1.00 0.00 C ATOM 489 O GLY A 31 -6.496 -5.860 9.661 1.00 0.00 O ATOM 0 H GLY A 31 -8.855 -9.194 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.975 -7.677 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.048 -8.864 9.697 1.00 0.00 H new ATOM 493 N TRP A 32 -6.510 -6.958 7.683 1.00 0.00 N ATOM 494 CA TRP A 32 -5.831 -5.903 6.948 1.00 0.00 C ATOM 495 C TRP A 32 -6.633 -4.605 6.980 1.00 0.00 C ATOM 496 O TRP A 32 -6.068 -3.570 7.323 1.00 0.00 O ATOM 497 CB TRP A 32 -5.544 -6.346 5.510 1.00 0.00 C ATOM 498 CG TRP A 32 -4.288 -7.144 5.382 1.00 0.00 C ATOM 499 CD1 TRP A 32 -4.191 -8.488 5.319 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.918 -6.650 5.334 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.867 -8.856 5.220 1.00 0.00 N ATOM 502 CE2 TRP A 32 -2.030 -7.762 5.273 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.341 -5.366 5.328 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.637 -7.603 5.249 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.946 -5.192 5.284 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.094 -6.308 5.248 1.00 0.00 C ATOM 0 H TRP A 32 -6.736 -7.779 7.121 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.876 -5.708 7.437 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.383 -6.939 5.145 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.474 -5.465 4.872 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.026 -9.173 5.343 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.546 -9.819 5.120 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.982 -4.497 5.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.011 -8.467 5.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.528 -4.196 5.278 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.977 -6.170 5.220 1.00 0.00 H new ATOM 517 N TYR A 33 -7.931 -4.650 6.666 1.00 0.00 N ATOM 518 CA TYR A 33 -8.771 -3.462 6.568 1.00 0.00 C ATOM 519 C TYR A 33 -8.774 -2.670 7.878 1.00 0.00 C ATOM 520 O TYR A 33 -8.548 -1.458 7.861 1.00 0.00 O ATOM 521 CB TYR A 33 -10.190 -3.893 6.171 1.00 0.00 C ATOM 522 CG TYR A 33 -11.276 -2.842 6.313 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.138 -1.573 5.721 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.433 -3.139 7.055 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.146 -0.605 5.877 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.434 -2.170 7.236 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.299 -0.896 6.639 1.00 0.00 C ATOM 528 OH TYR A 33 -14.261 0.057 6.803 1.00 0.00 O ATOM 0 H TYR A 33 -8.428 -5.520 6.472 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.368 -2.797 5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.169 -4.225 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.468 -4.756 6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.255 -1.342 5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.553 -4.120 7.489 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.038 0.364 5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -14.306 -2.398 7.831 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.988 -0.303 7.352 1.00 0.00 H new ATOM 538 N TYR A 34 -8.994 -3.339 9.013 1.00 0.00 N ATOM 539 CA TYR A 34 -9.106 -2.674 10.302 1.00 0.00 C ATOM 540 C TYR A 34 -7.773 -2.024 10.686 1.00 0.00 C ATOM 541 O TYR A 34 -7.755 -0.876 11.131 1.00 0.00 O ATOM 542 CB TYR A 34 -9.531 -3.683 11.381 1.00 0.00 C ATOM 543 CG TYR A 34 -10.861 -4.414 11.215 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.876 -3.969 10.337 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.084 -5.566 11.996 1.00 0.00 C ATOM 546 CE1 TYR A 34 -13.099 -4.661 10.261 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.301 -6.264 11.921 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.320 -5.809 11.054 1.00 0.00 C ATOM 549 OH TYR A 34 -14.512 -6.466 10.973 1.00 0.00 O ATOM 0 H TYR A 34 -9.098 -4.353 9.058 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.864 -1.895 10.227 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.747 -4.436 11.457 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.560 -3.155 12.334 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.712 -3.096 9.723 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.309 -5.917 12.661 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.873 -4.313 9.593 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.457 -7.146 12.524 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.504 -7.235 11.581 1.00 0.00 H new ATOM 559 N TYR A 35 -6.656 -2.738 10.510 1.00 0.00 N ATOM 560 CA TYR A 35 -5.343 -2.234 10.892 1.00 0.00 C ATOM 561 C TYR A 35 -4.902 -1.100 9.965 1.00 0.00 C ATOM 562 O TYR A 35 -4.315 -0.122 10.435 1.00 0.00 O ATOM 563 CB TYR A 35 -4.345 -3.397 10.851 1.00 0.00 C ATOM 564 CG TYR A 35 -2.975 -3.069 11.412 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.967 -2.561 10.569 1.00 0.00 C ATOM 566 CD2 TYR A 35 -2.701 -3.293 12.775 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.691 -2.279 11.084 1.00 0.00 C ATOM 568 CE2 TYR A 35 -1.425 -3.017 13.297 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.412 -2.507 12.451 1.00 0.00 C ATOM 570 OH TYR A 35 0.832 -2.233 12.939 1.00 0.00 O ATOM 0 H TYR A 35 -6.641 -3.673 10.102 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.386 -1.825 11.901 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.761 -4.236 11.409 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.232 -3.726 9.818 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.176 -2.388 9.524 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.475 -3.679 13.422 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.078 -1.887 10.435 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.218 -3.194 14.342 1.00 0.00 H new ATOM 0 HH TYR A 35 0.862 -2.443 13.896 1.00 0.00 H new ATOM 580 N LEU A 36 -5.191 -1.197 8.662 1.00 0.00 N ATOM 581 CA LEU A 36 -4.864 -0.150 7.709 1.00 0.00 C ATOM 582 C LEU A 36 -5.661 1.090 8.034 1.00 0.00 C ATOM 583 O LEU A 36 -5.019 2.129 8.167 1.00 0.00 O ATOM 584 CB LEU A 36 -5.092 -0.589 6.255 1.00 0.00 C ATOM 585 CG LEU A 36 -3.801 -1.059 5.559 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.931 -2.010 6.391 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.172 -1.732 4.234 1.00 0.00 C ATOM 0 H LEU A 36 -5.657 -2.004 8.247 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.800 0.068 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.823 -1.397 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.519 0.242 5.693 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.194 -0.167 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.045 -2.287 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.628 -1.513 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.501 -2.907 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.266 -2.070 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.819 -2.587 4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.696 -1.019 3.598 1.00 0.00 H new ATOM 599 N ASP A 37 -6.985 1.006 8.250 1.00 0.00 N ATOM 600 CA ASP A 37 -7.728 2.184 8.703 1.00 0.00 C ATOM 601 C ASP A 37 -7.045 2.717 9.913 1.00 0.00 C ATOM 602 O ASP A 37 -6.776 3.920 9.948 1.00 0.00 O ATOM 603 CB ASP A 37 -9.196 1.955 9.125 1.00 0.00 C ATOM 604 CG ASP A 37 -9.880 3.181 9.833 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.346 3.850 10.768 1.00 0.00 O ATOM 606 OD2 ASP A 37 -11.047 3.450 9.472 1.00 0.00 O ATOM 0 H ASP A 37 -7.544 0.162 8.122 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.746 2.846 7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.777 1.695 8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.236 1.097 9.796 1.00 0.00 H new ATOM 611 N ASP A 38 -6.745 1.866 10.903 1.00 0.00 N ATOM 612 CA ASP A 38 -6.333 2.487 12.129 1.00 0.00 C ATOM 613 C ASP A 38 -5.027 3.260 11.996 1.00 0.00 C ATOM 614 O ASP A 38 -4.913 4.346 12.567 1.00 0.00 O ATOM 615 CB ASP A 38 -6.459 1.672 13.406 1.00 0.00 C ATOM 616 CG ASP A 38 -6.602 2.700 14.565 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.147 3.822 14.344 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.181 2.385 15.701 1.00 0.00 O ATOM 0 H ASP A 38 -6.778 0.847 10.876 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.115 3.228 12.292 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.325 1.012 13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.583 1.040 13.552 1.00 0.00 H new ATOM 623 N THR A 39 -4.153 2.796 11.108 1.00 0.00 N ATOM 624 CA THR A 39 -2.851 3.391 10.890 1.00 0.00 C ATOM 625 C THR A 39 -3.003 4.684 10.072 1.00 0.00 C ATOM 626 O THR A 39 -2.392 5.702 10.403 1.00 0.00 O ATOM 627 CB THR A 39 -1.972 2.340 10.195 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.930 1.138 10.940 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.548 2.860 10.042 1.00 0.00 C ATOM 0 H THR A 39 -4.337 1.986 10.516 1.00 0.00 H new ATOM 0 HA THR A 39 -2.373 3.676 11.827 1.00 0.00 H new ATOM 0 HB THR A 39 -2.409 2.144 9.216 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.709 0.587 10.717 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.064 2.105 9.548 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.556 3.770 9.442 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.132 3.077 11.026 1.00 0.00 H new ATOM 637 N LEU A 40 -3.831 4.656 9.025 1.00 0.00 N ATOM 638 CA LEU A 40 -4.180 5.821 8.222 1.00 0.00 C ATOM 639 C LEU A 40 -4.916 6.852 9.090 1.00 0.00 C ATOM 640 O LEU A 40 -5.727 6.510 9.963 1.00 0.00 O ATOM 641 CB LEU A 40 -5.091 5.410 7.047 1.00 0.00 C ATOM 642 CG LEU A 40 -4.515 4.366 6.065 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.648 3.728 5.251 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.493 4.932 5.082 1.00 0.00 C ATOM 0 H LEU A 40 -4.286 3.800 8.708 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.261 6.257 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.021 5.017 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.346 6.307 6.482 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.002 3.635 6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.232 2.993 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.349 3.236 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.170 4.501 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.137 4.136 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.959 5.713 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.652 5.352 5.633 1.00 0.00 H new ATOM 656 N GLU A 41 -4.707 8.128 8.774 1.00 0.00 N ATOM 657 CA GLU A 41 -5.398 9.271 9.368 1.00 0.00 C ATOM 658 C GLU A 41 -5.957 10.133 8.225 1.00 0.00 C ATOM 659 O GLU A 41 -5.691 11.332 8.119 1.00 0.00 O ATOM 660 CB GLU A 41 -4.455 10.017 10.330 1.00 0.00 C ATOM 661 CG GLU A 41 -4.118 9.195 11.586 1.00 0.00 C ATOM 662 CD GLU A 41 -5.319 9.053 12.544 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.540 9.961 13.378 1.00 0.00 O ATOM 664 OE2 GLU A 41 -6.048 8.032 12.495 1.00 0.00 O ATOM 0 H GLU A 41 -4.024 8.406 8.069 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.243 8.962 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.532 10.268 9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.918 10.958 10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.778 8.204 11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.291 9.669 12.114 1.00 0.00 H new ATOM 671 N PHE A 42 -6.696 9.477 7.322 1.00 0.00 N ATOM 672 CA PHE A 42 -7.418 10.107 6.219 1.00 0.00 C ATOM 673 C PHE A 42 -8.431 11.159 6.728 1.00 0.00 C ATOM 674 O PHE A 42 -8.847 11.077 7.890 1.00 0.00 O ATOM 675 CB PHE A 42 -8.061 8.999 5.359 1.00 0.00 C ATOM 676 CG PHE A 42 -8.950 7.994 6.072 1.00 0.00 C ATOM 677 CD1 PHE A 42 -10.226 8.370 6.533 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.547 6.645 6.167 1.00 0.00 C ATOM 679 CE1 PHE A 42 -11.086 7.412 7.096 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.406 5.688 6.734 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.678 6.071 7.194 1.00 0.00 C ATOM 0 H PHE A 42 -6.809 8.463 7.343 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.727 10.668 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.651 9.478 4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.261 8.450 4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.545 9.399 6.454 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.575 6.347 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.062 7.707 7.454 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.089 4.659 6.816 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.342 5.335 7.623 1.00 0.00 H new ATOM 691 N PRO A 43 -8.878 12.127 5.898 1.00 0.00 N ATOM 692 CA PRO A 43 -8.541 12.316 4.484 1.00 0.00 C ATOM 693 C PRO A 43 -7.082 12.738 4.268 1.00 0.00 C ATOM 694 O PRO A 43 -6.466 13.338 5.152 1.00 0.00 O ATOM 695 CB PRO A 43 -9.511 13.389 3.972 1.00 0.00 C ATOM 696 CG PRO A 43 -9.825 14.212 5.218 1.00 0.00 C ATOM 697 CD PRO A 43 -9.815 13.159 6.323 1.00 0.00 C ATOM 0 HA PRO A 43 -8.640 11.377 3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.057 14.000 3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.411 12.946 3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.079 14.988 5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.791 14.711 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.507 13.596 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.811 12.742 6.472 1.00 0.00 H new ATOM 705 N PHE A 44 -6.535 12.430 3.089 1.00 0.00 N ATOM 706 CA PHE A 44 -5.191 12.834 2.674 1.00 0.00 C ATOM 707 C PHE A 44 -5.138 12.976 1.151 1.00 0.00 C ATOM 708 O PHE A 44 -5.985 12.430 0.450 1.00 0.00 O ATOM 709 CB PHE A 44 -4.141 11.828 3.178 1.00 0.00 C ATOM 710 CG PHE A 44 -4.197 10.416 2.607 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.997 9.429 3.209 1.00 0.00 C ATOM 712 CD2 PHE A 44 -3.399 10.065 1.505 1.00 0.00 C ATOM 713 CE1 PHE A 44 -5.035 8.122 2.690 1.00 0.00 C ATOM 714 CE2 PHE A 44 -3.450 8.769 0.964 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.275 7.797 1.554 1.00 0.00 C ATOM 0 H PHE A 44 -7.025 11.881 2.382 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.958 13.802 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.153 12.238 2.968 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.234 11.758 4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.588 9.677 4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.739 10.800 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.648 7.369 3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.856 8.521 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.325 6.803 1.135 1.00 0.00 H new ATOM 725 N MET A 45 -4.157 13.702 0.616 1.00 0.00 N ATOM 726 CA MET A 45 -3.964 13.823 -0.829 1.00 0.00 C ATOM 727 C MET A 45 -3.110 12.648 -1.306 1.00 0.00 C ATOM 728 O MET A 45 -2.157 12.277 -0.622 1.00 0.00 O ATOM 729 CB MET A 45 -3.261 15.159 -1.110 1.00 0.00 C ATOM 730 CG MET A 45 -3.084 15.427 -2.605 1.00 0.00 C ATOM 731 SD MET A 45 -2.087 16.894 -2.959 1.00 0.00 S ATOM 732 CE MET A 45 -2.055 16.742 -4.759 1.00 0.00 C ATOM 0 H MET A 45 -3.476 14.221 1.170 1.00 0.00 H new ATOM 0 HA MET A 45 -4.916 13.803 -1.359 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.838 15.970 -0.665 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.284 15.160 -0.626 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.617 14.559 -3.069 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.066 15.544 -3.064 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.379 17.489 -5.175 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.708 15.746 -5.034 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.058 16.899 -5.155 1.00 0.00 H new ATOM 742 N GLY A 46 -3.365 12.093 -2.491 1.00 0.00 N ATOM 743 CA GLY A 46 -2.484 11.093 -3.067 1.00 0.00 C ATOM 744 C GLY A 46 -2.497 11.132 -4.582 1.00 0.00 C ATOM 745 O GLY A 46 -3.362 11.748 -5.207 1.00 0.00 O ATOM 0 H GLY A 46 -4.176 12.323 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.467 11.255 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.788 10.103 -2.727 1.00 0.00 H new ATOM 749 N LYS A 47 -1.504 10.482 -5.181 1.00 0.00 N ATOM 750 CA LYS A 47 -1.500 10.236 -6.613 1.00 0.00 C ATOM 751 C LYS A 47 -2.156 8.875 -6.806 1.00 0.00 C ATOM 752 O LYS A 47 -1.707 7.884 -6.225 1.00 0.00 O ATOM 753 CB LYS A 47 -0.060 10.248 -7.171 1.00 0.00 C ATOM 754 CG LYS A 47 -0.016 10.550 -8.681 1.00 0.00 C ATOM 755 CD LYS A 47 -0.278 12.033 -9.018 1.00 0.00 C ATOM 756 CE LYS A 47 0.901 12.959 -8.676 1.00 0.00 C ATOM 757 NZ LYS A 47 1.941 12.985 -9.735 1.00 0.00 N ATOM 0 H LYS A 47 -0.688 10.115 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.041 11.013 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.527 10.995 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.407 9.281 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.960 10.263 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.757 9.933 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.502 12.121 -10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.162 12.369 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.527 13.970 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.352 12.633 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.868 13.183 -9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.971 12.063 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.714 13.728 -10.426 1.00 0.00 H new ATOM 771 N TRP A 48 -3.230 8.825 -7.586 1.00 0.00 N ATOM 772 CA TRP A 48 -3.810 7.574 -8.034 1.00 0.00 C ATOM 773 C TRP A 48 -2.956 7.179 -9.237 1.00 0.00 C ATOM 774 O TRP A 48 -3.083 7.739 -10.323 1.00 0.00 O ATOM 775 CB TRP A 48 -5.304 7.754 -8.351 1.00 0.00 C ATOM 776 CG TRP A 48 -6.051 6.549 -8.846 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.562 5.294 -8.912 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.429 6.449 -9.329 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.521 4.428 -9.380 1.00 0.00 N ATOM 780 CE2 TRP A 48 -7.704 5.082 -9.646 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.482 7.369 -9.522 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -8.959 4.653 -10.104 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -9.747 6.951 -9.979 1.00 0.00 C ATOM 784 CH2 TRP A 48 -9.988 5.595 -10.265 1.00 0.00 C ATOM 0 H TRP A 48 -3.720 9.654 -7.923 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.797 6.784 -7.284 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.800 8.112 -7.449 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.398 8.541 -9.100 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.557 5.009 -8.636 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.375 3.427 -9.514 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.314 8.416 -9.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.132 3.611 -10.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.537 7.676 -10.111 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.962 5.279 -10.608 1.00 0.00 H new ATOM 795 N LYS A 49 -2.018 6.263 -9.028 1.00 0.00 N ATOM 796 CA LYS A 49 -1.139 5.693 -10.040 1.00 0.00 C ATOM 797 C LYS A 49 -1.917 4.549 -10.701 1.00 0.00 C ATOM 798 O LYS A 49 -1.612 3.372 -10.504 1.00 0.00 O ATOM 799 CB LYS A 49 0.159 5.228 -9.351 1.00 0.00 C ATOM 800 CG LYS A 49 0.980 6.411 -8.803 1.00 0.00 C ATOM 801 CD LYS A 49 2.155 5.977 -7.915 1.00 0.00 C ATOM 802 CE LYS A 49 3.172 5.108 -8.668 1.00 0.00 C ATOM 803 NZ LYS A 49 4.360 4.780 -7.839 1.00 0.00 N ATOM 0 H LYS A 49 -1.841 5.878 -8.100 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.847 6.406 -10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.088 4.549 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.765 4.665 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.363 6.997 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.323 7.065 -8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.657 6.862 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.773 5.423 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.690 4.184 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.494 5.629 -9.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.017 4.192 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.838 5.659 -7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.058 4.259 -6.991 1.00 0.00 H new ATOM 817 N LYS A 50 -3.005 4.905 -11.384 1.00 0.00 N ATOM 818 CA LYS A 50 -3.959 3.947 -11.929 1.00 0.00 C ATOM 819 C LYS A 50 -3.231 3.071 -12.943 1.00 0.00 C ATOM 820 O LYS A 50 -2.512 3.611 -13.782 1.00 0.00 O ATOM 821 CB LYS A 50 -5.128 4.720 -12.563 1.00 0.00 C ATOM 822 CG LYS A 50 -6.316 3.808 -12.898 1.00 0.00 C ATOM 823 CD LYS A 50 -7.478 4.617 -13.488 1.00 0.00 C ATOM 824 CE LYS A 50 -8.653 3.683 -13.812 1.00 0.00 C ATOM 825 NZ LYS A 50 -9.805 4.407 -14.405 1.00 0.00 N ATOM 0 H LYS A 50 -3.249 5.877 -11.575 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.369 3.301 -11.153 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.456 5.503 -11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.784 5.213 -13.472 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.003 3.043 -13.608 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.648 3.291 -11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.795 5.383 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.152 5.133 -14.391 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.319 2.910 -14.503 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.975 3.179 -12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.572 3.734 -14.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.143 5.128 -13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.508 4.867 -15.289 1.00 0.00 H new ATOM 839 N LYS A 51 -3.391 1.745 -12.909 1.00 0.00 N ATOM 840 CA LYS A 51 -2.888 0.894 -13.992 1.00 0.00 C ATOM 841 C LYS A 51 -3.467 1.401 -15.320 1.00 0.00 C ATOM 842 O LYS A 51 -4.655 1.729 -15.380 1.00 0.00 O ATOM 843 CB LYS A 51 -3.262 -0.573 -13.724 1.00 0.00 C ATOM 844 CG LYS A 51 -2.598 -1.540 -14.720 1.00 0.00 C ATOM 845 CD LYS A 51 -3.046 -2.988 -14.471 1.00 0.00 C ATOM 846 CE LYS A 51 -2.382 -3.935 -15.481 1.00 0.00 C ATOM 847 NZ LYS A 51 -2.845 -5.338 -15.336 1.00 0.00 N ATOM 0 H LYS A 51 -3.858 1.242 -12.154 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.800 0.943 -14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.966 -0.841 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.345 -0.685 -13.780 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.852 -1.248 -15.739 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.514 -1.471 -14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.784 -3.287 -13.456 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.130 -3.059 -14.555 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.594 -3.589 -16.492 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.300 -3.898 -15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.367 -5.936 -16.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.619 -5.681 -14.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.873 -5.381 -15.486 1.00 0.00 H new ATOM 861 N SER A 52 -2.646 1.469 -16.367 1.00 0.00 N ATOM 862 CA SER A 52 -3.069 1.874 -17.701 1.00 0.00 C ATOM 863 C SER A 52 -4.253 1.035 -18.203 1.00 0.00 C ATOM 864 O SER A 52 -4.448 -0.114 -17.793 1.00 0.00 O ATOM 865 CB SER A 52 -1.881 1.746 -18.655 1.00 0.00 C ATOM 866 OG SER A 52 -0.813 2.573 -18.250 1.00 0.00 O ATOM 0 H SER A 52 -1.654 1.240 -16.308 1.00 0.00 H new ATOM 0 HA SER A 52 -3.407 2.910 -17.661 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.549 0.708 -18.690 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.191 2.015 -19.665 1.00 0.00 H new ATOM 0 HG SER A 52 0.019 2.258 -18.661 1.00 0.00 H new ATOM 872 N ARG A 53 -5.032 1.606 -19.133 1.00 0.00 N ATOM 873 CA ARG A 53 -6.194 0.949 -19.741 1.00 0.00 C ATOM 874 C ARG A 53 -5.805 -0.388 -20.383 1.00 0.00 C ATOM 875 O ARG A 53 -6.563 -1.355 -20.298 1.00 0.00 O ATOM 876 CB ARG A 53 -6.835 1.916 -20.752 1.00 0.00 C ATOM 877 CG ARG A 53 -8.171 1.398 -21.310 1.00 0.00 C ATOM 878 CD ARG A 53 -8.798 2.426 -22.258 1.00 0.00 C ATOM 879 NE ARG A 53 -10.083 1.949 -22.802 1.00 0.00 N ATOM 880 CZ ARG A 53 -10.842 2.600 -23.693 1.00 0.00 C ATOM 881 NH1 ARG A 53 -10.463 3.782 -24.174 1.00 0.00 N ATOM 882 NH2 ARG A 53 -11.986 2.061 -24.103 1.00 0.00 N ATOM 0 H ARG A 53 -4.869 2.549 -19.487 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.927 0.711 -18.971 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.997 2.881 -20.272 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.143 2.083 -21.577 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.010 0.459 -21.839 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.856 1.188 -20.489 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.953 3.365 -21.726 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.110 2.634 -23.077 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.423 1.046 -22.471 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.586 4.201 -23.864 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.049 4.268 -24.852 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.282 1.155 -23.739 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.567 2.553 -24.781 1.00 0.00 H new ATOM 896 N LYS A 54 -4.615 -0.450 -20.983 1.00 0.00 N ATOM 897 CA LYS A 54 -3.956 -1.659 -21.470 1.00 0.00 C ATOM 898 C LYS A 54 -2.480 -1.517 -21.100 1.00 0.00 C ATOM 899 O LYS A 54 -2.012 -0.389 -20.926 1.00 0.00 O ATOM 900 CB LYS A 54 -4.126 -1.807 -22.995 1.00 0.00 C ATOM 901 CG LYS A 54 -5.584 -2.036 -23.424 1.00 0.00 C ATOM 902 CD LYS A 54 -5.685 -2.278 -24.936 1.00 0.00 C ATOM 903 CE LYS A 54 -7.149 -2.501 -25.338 1.00 0.00 C ATOM 904 NZ LYS A 54 -7.301 -2.752 -26.793 1.00 0.00 N ATOM 0 H LYS A 54 -4.057 0.387 -21.150 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.393 -2.551 -21.022 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.747 -0.910 -23.485 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.517 -2.641 -23.342 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.994 -2.892 -22.888 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.187 -1.170 -23.150 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.277 -1.424 -25.477 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.087 -3.146 -25.214 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.552 -3.347 -24.781 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.737 -1.627 -25.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.306 -2.897 -27.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.942 -1.934 -27.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.762 -3.601 -27.057 1.00 0.00 H new ATOM 918 N THR A 55 -1.752 -2.634 -21.034 1.00 0.00 N ATOM 919 CA THR A 55 -0.388 -2.722 -20.496 1.00 0.00 C ATOM 920 C THR A 55 -0.383 -2.435 -18.976 1.00 0.00 C ATOM 921 O THR A 55 -1.340 -1.893 -18.418 1.00 0.00 O ATOM 922 CB THR A 55 0.584 -1.841 -21.328 1.00 0.00 C ATOM 923 OG1 THR A 55 0.352 -2.022 -22.718 1.00 0.00 O ATOM 924 CG2 THR A 55 2.067 -2.159 -21.098 1.00 0.00 C ATOM 0 H THR A 55 -2.105 -3.532 -21.364 1.00 0.00 H new ATOM 0 HA THR A 55 -0.013 -3.740 -20.597 1.00 0.00 H new ATOM 0 HB THR A 55 0.383 -0.822 -20.997 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.971 -1.459 -23.229 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.680 -1.502 -21.715 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.313 -2.005 -20.047 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.263 -3.197 -21.368 1.00 0.00 H new ATOM 932 N SER A 56 0.689 -2.830 -18.284 1.00 0.00 N ATOM 933 CA SER A 56 0.834 -2.699 -16.833 1.00 0.00 C ATOM 934 C SER A 56 1.622 -1.438 -16.441 1.00 0.00 C ATOM 935 O SER A 56 2.194 -1.368 -15.351 1.00 0.00 O ATOM 936 CB SER A 56 1.452 -3.989 -16.275 1.00 0.00 C ATOM 937 OG SER A 56 0.661 -5.108 -16.653 1.00 0.00 O ATOM 0 H SER A 56 1.500 -3.260 -18.729 1.00 0.00 H new ATOM 0 HA SER A 56 -0.150 -2.567 -16.383 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.468 -4.108 -16.651 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.519 -3.930 -15.189 1.00 0.00 H new ATOM 0 HG SER A 56 1.062 -5.928 -16.295 1.00 0.00 H new ATOM 943 N THR A 57 1.674 -0.446 -17.331 1.00 0.00 N ATOM 944 CA THR A 57 2.186 0.886 -17.049 1.00 0.00 C ATOM 945 C THR A 57 1.208 1.624 -16.111 1.00 0.00 C ATOM 946 O THR A 57 0.148 1.093 -15.754 1.00 0.00 O ATOM 947 CB THR A 57 2.416 1.598 -18.401 1.00 0.00 C ATOM 948 OG1 THR A 57 1.370 1.301 -19.318 1.00 0.00 O ATOM 949 CG2 THR A 57 3.730 1.130 -19.035 1.00 0.00 C ATOM 0 H THR A 57 1.351 -0.555 -18.292 1.00 0.00 H new ATOM 0 HA THR A 57 3.141 0.859 -16.523 1.00 0.00 H new ATOM 0 HB THR A 57 2.445 2.669 -18.199 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.537 1.764 -20.165 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.877 1.641 -19.987 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.559 1.362 -18.367 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.690 0.054 -19.203 1.00 0.00 H new ATOM 957 N ILE A 58 1.563 2.844 -15.695 1.00 0.00 N ATOM 958 CA ILE A 58 0.789 3.671 -14.777 1.00 0.00 C ATOM 959 C ILE A 58 0.315 4.901 -15.559 1.00 0.00 C ATOM 960 O ILE A 58 1.050 5.472 -16.369 1.00 0.00 O ATOM 961 CB ILE A 58 1.667 4.010 -13.537 1.00 0.00 C ATOM 962 CG1 ILE A 58 1.507 2.992 -12.388 1.00 0.00 C ATOM 963 CG2 ILE A 58 1.398 5.398 -12.920 1.00 0.00 C ATOM 964 CD1 ILE A 58 1.614 1.515 -12.764 1.00 0.00 C ATOM 0 H ILE A 58 2.426 3.293 -16.001 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.094 3.162 -14.391 1.00 0.00 H new ATOM 0 HB ILE A 58 2.674 3.983 -13.953 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.264 3.207 -11.634 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.536 3.155 -11.921 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.054 5.548 -12.062 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.591 6.171 -13.664 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.359 5.457 -12.597 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.484 0.902 -11.872 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.840 1.267 -13.490 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.594 1.320 -13.199 1.00 0.00 H new ATOM 976 N GLU A 59 -0.900 5.328 -15.238 1.00 0.00 N ATOM 977 CA GLU A 59 -1.533 6.567 -15.645 1.00 0.00 C ATOM 978 C GLU A 59 -1.755 7.317 -14.330 1.00 0.00 C ATOM 979 O GLU A 59 -2.622 6.957 -13.530 1.00 0.00 O ATOM 980 CB GLU A 59 -2.864 6.284 -16.372 1.00 0.00 C ATOM 981 CG GLU A 59 -2.696 5.791 -17.818 1.00 0.00 C ATOM 982 CD GLU A 59 -2.277 6.923 -18.776 1.00 0.00 C ATOM 983 OE1 GLU A 59 -3.165 7.606 -19.336 1.00 0.00 O ATOM 984 OE2 GLU A 59 -1.064 7.136 -18.997 1.00 0.00 O ATOM 0 H GLU A 59 -1.511 4.771 -14.641 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.932 7.143 -16.349 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.423 5.537 -15.807 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.464 7.194 -16.377 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.947 4.999 -17.845 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.634 5.355 -18.162 1.00 0.00 H new ATOM 991 N GLU A 60 -0.901 8.301 -14.049 1.00 0.00 N ATOM 992 CA GLU A 60 -1.021 9.113 -12.845 1.00 0.00 C ATOM 993 C GLU A 60 -2.274 9.991 -12.947 1.00 0.00 C ATOM 994 O GLU A 60 -2.548 10.583 -13.997 1.00 0.00 O ATOM 995 CB GLU A 60 0.231 9.985 -12.658 1.00 0.00 C ATOM 996 CG GLU A 60 1.478 9.158 -12.318 1.00 0.00 C ATOM 997 CD GLU A 60 2.706 10.055 -12.089 1.00 0.00 C ATOM 998 OE1 GLU A 60 2.787 10.711 -11.026 1.00 0.00 O ATOM 999 OE2 GLU A 60 3.601 10.107 -12.965 1.00 0.00 O ATOM 0 H GLU A 60 -0.114 8.554 -14.646 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.111 8.458 -11.978 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.413 10.553 -13.570 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.051 10.708 -11.863 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.289 8.564 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.684 8.458 -13.128 1.00 0.00 H new ATOM 1006 N LYS A 61 -2.992 10.130 -11.833 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.094 11.063 -11.623 1.00 0.00 C ATOM 1008 C LYS A 61 -3.884 11.638 -10.227 1.00 0.00 C ATOM 1009 O LYS A 61 -3.271 10.981 -9.383 1.00 0.00 O ATOM 1010 CB LYS A 61 -5.441 10.323 -11.668 1.00 0.00 C ATOM 1011 CG LYS A 61 -5.789 9.695 -13.024 1.00 0.00 C ATOM 1012 CD LYS A 61 -7.014 8.767 -12.914 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.294 9.474 -12.446 1.00 0.00 C ATOM 1014 NZ LYS A 61 -8.779 10.481 -13.422 1.00 0.00 N ATOM 0 H LYS A 61 -2.808 9.561 -11.007 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.112 11.834 -12.393 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.433 9.538 -10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.232 11.021 -11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.991 10.482 -13.751 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.934 9.130 -13.395 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.199 8.310 -13.886 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.783 7.959 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.074 8.731 -12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.106 9.962 -11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.562 11.022 -13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.003 11.128 -13.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.113 9.999 -14.281 1.00 0.00 H new ATOM 1028 N THR A 62 -4.407 12.824 -9.948 1.00 0.00 N ATOM 1029 CA THR A 62 -4.164 13.505 -8.678 1.00 0.00 C ATOM 1030 C THR A 62 -5.489 13.541 -7.923 1.00 0.00 C ATOM 1031 O THR A 62 -6.478 14.058 -8.451 1.00 0.00 O ATOM 1032 CB THR A 62 -3.560 14.891 -8.957 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.458 14.774 -9.842 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.042 15.542 -7.677 1.00 0.00 C ATOM 0 H THR A 62 -5.008 13.341 -10.589 1.00 0.00 H new ATOM 0 HA THR A 62 -3.439 12.987 -8.051 1.00 0.00 H new ATOM 0 HB THR A 62 -4.352 15.501 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.081 15.662 -10.015 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.622 16.520 -7.911 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.864 15.659 -6.970 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.270 14.912 -7.235 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.530 12.969 -6.715 1.00 0.00 N ATOM 1043 CA VAL A 63 -6.773 12.744 -5.993 1.00 0.00 C ATOM 1044 C VAL A 63 -6.646 13.131 -4.517 1.00 0.00 C ATOM 1045 O VAL A 63 -5.551 13.244 -3.964 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.255 11.280 -6.154 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.343 10.831 -7.623 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.381 10.250 -5.418 1.00 0.00 C ATOM 0 H VAL A 63 -4.699 12.651 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.530 13.393 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.248 11.300 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.686 9.797 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.046 11.470 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.359 10.907 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.783 9.250 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.362 10.297 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.378 10.472 -4.351 1.00 0.00 H new ATOM 1058 N GLU A 64 -7.789 13.304 -3.867 1.00 0.00 N ATOM 1059 CA GLU A 64 -7.906 13.451 -2.425 1.00 0.00 C ATOM 1060 C GLU A 64 -8.600 12.177 -1.951 1.00 0.00 C ATOM 1061 O GLU A 64 -9.734 11.910 -2.336 1.00 0.00 O ATOM 1062 CB GLU A 64 -8.668 14.737 -2.065 1.00 0.00 C ATOM 1063 CG GLU A 64 -8.701 14.948 -0.545 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.313 16.312 -0.177 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -10.557 16.433 -0.102 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -8.552 17.278 0.061 1.00 0.00 O ATOM 0 H GLU A 64 -8.689 13.347 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.941 13.561 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.192 15.592 -2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.686 14.681 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.280 14.151 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.689 14.883 -0.146 1.00 0.00 H new ATOM 1073 N VAL A 65 -7.896 11.346 -1.192 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.416 10.129 -0.595 1.00 0.00 C ATOM 1075 C VAL A 65 -9.285 10.561 0.579 1.00 0.00 C ATOM 1076 O VAL A 65 -8.777 11.143 1.540 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.252 9.221 -0.138 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.797 7.967 0.563 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -6.362 8.814 -1.325 1.00 0.00 C ATOM 0 H VAL A 65 -6.914 11.509 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.003 9.549 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.643 9.789 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.966 7.337 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.381 8.262 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.432 7.411 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.553 8.176 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.959 8.270 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.943 9.707 -1.789 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.590 10.298 0.506 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.510 10.640 1.583 1.00 0.00 C ATOM 1091 C LEU A 66 -11.367 9.637 2.726 1.00 0.00 C ATOM 1092 O LEU A 66 -11.459 10.023 3.891 1.00 0.00 O ATOM 1093 CB LEU A 66 -12.972 10.692 1.102 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.310 11.694 -0.023 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -12.550 13.024 0.080 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.075 11.090 -1.410 1.00 0.00 C ATOM 0 H LEU A 66 -11.033 9.846 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.249 11.638 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.251 9.695 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.602 10.923 1.961 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.370 11.911 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.841 13.674 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.791 13.508 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.478 12.835 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.324 11.826 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.028 10.804 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.705 10.210 -1.535 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.118 8.366 2.402 1.00 0.00 N ATOM 1109 CA GLY A 67 -10.909 7.301 3.354 1.00 0.00 C ATOM 1110 C GLY A 67 -10.959 5.966 2.633 1.00 0.00 C ATOM 1111 O GLY A 67 -11.119 5.909 1.412 1.00 0.00 O ATOM 0 H GLY A 67 -11.057 8.051 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.946 7.424 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.673 7.337 4.130 1.00 0.00 H new ATOM 1115 N MET A 68 -10.803 4.886 3.391 1.00 0.00 N ATOM 1116 CA MET A 68 -10.999 3.535 2.873 1.00 0.00 C ATOM 1117 C MET A 68 -12.457 3.348 2.447 1.00 0.00 C ATOM 1118 O MET A 68 -13.367 3.982 2.991 1.00 0.00 O ATOM 1119 CB MET A 68 -10.564 2.473 3.890 1.00 0.00 C ATOM 1120 CG MET A 68 -9.057 2.555 4.166 1.00 0.00 C ATOM 1121 SD MET A 68 -8.398 1.183 5.146 1.00 0.00 S ATOM 1122 CE MET A 68 -8.137 -0.052 3.846 1.00 0.00 C ATOM 0 H MET A 68 -10.539 4.920 4.376 1.00 0.00 H new ATOM 0 HA MET A 68 -10.365 3.404 1.996 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.115 2.609 4.821 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.814 1.481 3.514 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.528 2.592 3.214 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.846 3.490 4.685 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.325 -1.048 4.247 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.820 0.141 3.019 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.109 0.007 3.489 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.666 2.470 1.465 1.00 0.00 N ATOM 1133 CA ALA A 69 -13.987 2.060 1.007 1.00 0.00 C ATOM 1134 C ALA A 69 -14.757 1.336 2.133 1.00 0.00 C ATOM 1135 O ALA A 69 -14.147 0.959 3.140 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.801 1.163 -0.221 1.00 0.00 C ATOM 0 H ALA A 69 -11.905 2.017 0.958 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.583 2.931 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.776 0.840 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.286 1.720 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.209 0.290 0.053 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.079 1.118 1.986 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.857 0.299 2.909 1.00 0.00 C ATOM 1144 C PRO A 70 -16.238 -1.082 3.143 1.00 0.00 C ATOM 1145 O PRO A 70 -15.552 -1.632 2.275 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.251 0.178 2.283 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.371 1.451 1.450 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.945 1.654 0.944 1.00 0.00 C ATOM 0 HA PRO A 70 -16.888 0.764 3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.339 -0.716 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.030 0.119 3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.079 1.333 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.713 2.296 2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.787 1.136 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.738 2.710 0.767 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.554 -1.686 4.290 1.00 0.00 N ATOM 1157 CA ASP A 71 -16.107 -3.032 4.634 1.00 0.00 C ATOM 1158 C ASP A 71 -16.543 -4.072 3.602 1.00 0.00 C ATOM 1159 O ASP A 71 -15.810 -5.031 3.381 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.584 -3.441 6.034 1.00 0.00 C ATOM 1161 CG ASP A 71 -18.028 -3.975 6.056 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.973 -3.162 5.941 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -18.228 -5.197 6.230 1.00 0.00 O ATOM 0 H ASP A 71 -17.131 -1.250 5.009 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.017 -3.002 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.915 -4.206 6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.512 -2.581 6.700 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.682 -3.873 2.926 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.142 -4.799 1.889 1.00 0.00 C ATOM 1170 C ASP A 72 -17.147 -4.865 0.734 1.00 0.00 C ATOM 1171 O ASP A 72 -16.893 -5.938 0.191 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.518 -4.404 1.346 1.00 0.00 C ATOM 1173 CG ASP A 72 -19.989 -5.423 0.290 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.523 -6.486 0.679 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -19.854 -5.161 -0.927 1.00 0.00 O ATOM 0 H ASP A 72 -18.301 -3.077 3.081 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.220 -5.781 2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.239 -4.357 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.470 -3.408 0.905 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.544 -3.728 0.390 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.522 -3.667 -0.646 1.00 0.00 C ATOM 1182 C GLU A 73 -14.218 -4.214 -0.077 1.00 0.00 C ATOM 1183 O GLU A 73 -13.536 -5.003 -0.732 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.341 -2.222 -1.145 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.560 -1.663 -1.894 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.755 -2.318 -3.274 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -17.195 -3.487 -3.341 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -16.490 -1.655 -4.304 1.00 0.00 O ATOM 0 H GLU A 73 -16.751 -2.828 0.822 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.827 -4.271 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.125 -1.578 -0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.473 -2.182 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.455 -1.818 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.443 -0.587 -2.019 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.897 -3.865 1.171 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.646 -4.255 1.805 1.00 0.00 C ATOM 1197 C CYS A 74 -12.564 -5.745 2.168 1.00 0.00 C ATOM 1198 O CYS A 74 -11.566 -6.177 2.738 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.323 -3.330 2.978 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.227 -1.617 2.378 1.00 0.00 S ATOM 0 H CYS A 74 -14.503 -3.302 1.768 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.863 -4.127 1.057 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.091 -3.416 3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.378 -3.621 3.437 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.069 -0.812 3.387 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.590 -6.532 1.841 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.586 -7.994 1.912 1.00 0.00 C ATOM 1208 C LEU A 75 -13.000 -8.597 0.628 1.00 0.00 C ATOM 1209 O LEU A 75 -12.672 -9.783 0.604 1.00 0.00 O ATOM 1210 CB LEU A 75 -15.028 -8.517 2.065 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.581 -8.453 3.498 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -17.101 -8.631 3.474 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.965 -9.544 4.383 1.00 0.00 C ATOM 0 H LEU A 75 -14.478 -6.156 1.508 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.979 -8.285 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.682 -7.940 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.065 -9.551 1.721 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.321 -7.479 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.489 -8.585 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.551 -7.837 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.347 -9.598 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.377 -9.471 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.196 -10.524 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.884 -9.413 4.423 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.892 -7.803 -0.441 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.569 -8.265 -1.789 1.00 0.00 C ATOM 1227 C LYS A 76 -11.129 -7.888 -2.120 1.00 0.00 C ATOM 1228 O LYS A 76 -10.382 -8.724 -2.625 1.00 0.00 O ATOM 1229 CB LYS A 76 -13.563 -7.657 -2.801 1.00 0.00 C ATOM 1230 CG LYS A 76 -15.046 -7.924 -2.466 1.00 0.00 C ATOM 1231 CD LYS A 76 -15.994 -7.016 -3.267 1.00 0.00 C ATOM 1232 CE LYS A 76 -17.411 -7.120 -2.682 1.00 0.00 C ATOM 1233 NZ LYS A 76 -18.288 -5.999 -3.091 1.00 0.00 N ATOM 0 H LYS A 76 -13.031 -6.794 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.659 -9.350 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.401 -6.580 -2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.347 -8.058 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.282 -8.967 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.210 -7.767 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.647 -5.984 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.999 -7.311 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.861 -8.061 -2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.348 -7.147 -1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.943 -5.770 -2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.706 -5.165 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.831 -6.273 -3.934 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.729 -6.660 -1.790 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.364 -6.135 -1.902 1.00 0.00 C ATOM 1249 C ASP A 77 -9.321 -4.833 -1.092 1.00 0.00 C ATOM 1250 O ASP A 77 -10.370 -4.386 -0.629 1.00 0.00 O ATOM 1251 CB ASP A 77 -9.002 -5.866 -3.375 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.510 -5.582 -3.598 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.689 -5.900 -2.708 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.160 -5.083 -4.690 1.00 0.00 O ATOM 0 H ASP A 77 -11.380 -5.968 -1.418 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.641 -6.856 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.293 -6.728 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.583 -5.016 -3.734 1.00 0.00 H new ATOM 1259 N MET A 78 -8.163 -4.201 -0.889 1.00 0.00 N ATOM 1260 CA MET A 78 -8.126 -2.893 -0.234 1.00 0.00 C ATOM 1261 C MET A 78 -8.478 -1.814 -1.260 1.00 0.00 C ATOM 1262 O MET A 78 -7.835 -1.715 -2.310 1.00 0.00 O ATOM 1263 CB MET A 78 -6.755 -2.609 0.392 1.00 0.00 C ATOM 1264 CG MET A 78 -6.405 -3.543 1.556 1.00 0.00 C ATOM 1265 SD MET A 78 -7.530 -3.535 2.983 1.00 0.00 S ATOM 1266 CE MET A 78 -8.438 -5.075 2.674 1.00 0.00 C ATOM 0 H MET A 78 -7.252 -4.567 -1.164 1.00 0.00 H new ATOM 0 HA MET A 78 -8.855 -2.889 0.576 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.988 -2.699 -0.378 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.733 -1.578 0.745 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.353 -4.561 1.170 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.407 -3.285 1.910 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.443 -4.994 3.088 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.501 -5.251 1.600 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.916 -5.906 3.148 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.452 -0.963 -0.930 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.901 0.136 -1.780 1.00 0.00 C ATOM 1278 C TYR A 79 -10.099 1.396 -0.940 1.00 0.00 C ATOM 1279 O TYR A 79 -10.243 1.333 0.284 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.217 -0.201 -2.500 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.280 -1.478 -3.314 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -10.909 -1.499 -4.674 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.826 -2.630 -2.724 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.097 -2.665 -5.442 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -12.027 -3.788 -3.486 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.668 -3.817 -4.849 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.867 -4.969 -5.553 1.00 0.00 O ATOM 0 H TYR A 79 -9.959 -1.022 -0.047 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.131 0.303 -2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.006 -0.245 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.456 0.630 -3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.479 -0.619 -5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.092 -2.623 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.806 -2.680 -6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.460 -4.664 -3.026 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.269 -5.645 -4.968 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.148 2.538 -1.616 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.268 3.861 -1.032 1.00 0.00 C ATOM 1299 C VAL A 80 -11.233 4.670 -1.892 1.00 0.00 C ATOM 1300 O VAL A 80 -11.270 4.507 -3.113 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.881 4.536 -0.930 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.121 4.099 0.330 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -7.970 4.298 -2.146 1.00 0.00 C ATOM 0 H VAL A 80 -10.103 2.564 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.659 3.798 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.112 5.600 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.152 4.597 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.697 4.370 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.973 3.019 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.018 4.806 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.796 3.229 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.450 4.690 -3.043 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.024 5.527 -1.251 1.00 0.00 N ATOM 1314 CA GLU A 81 -12.846 6.520 -1.921 1.00 0.00 C ATOM 1315 C GLU A 81 -11.937 7.710 -2.212 1.00 0.00 C ATOM 1316 O GLU A 81 -11.191 8.146 -1.327 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.014 6.954 -1.022 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.009 5.812 -0.777 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.251 6.302 -0.012 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.216 6.379 1.237 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.285 6.599 -0.652 1.00 0.00 O ATOM 0 H GLU A 81 -12.110 5.548 -0.235 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.276 6.114 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.624 7.306 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.533 7.794 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.314 5.382 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.521 5.018 -0.211 1.00 0.00 H new ATOM 1328 N VAL A 82 -11.991 8.243 -3.430 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.063 9.271 -3.887 1.00 0.00 C ATOM 1330 C VAL A 82 -11.833 10.334 -4.668 1.00 0.00 C ATOM 1331 O VAL A 82 -12.733 10.004 -5.437 1.00 0.00 O ATOM 1332 CB VAL A 82 -9.896 8.644 -4.688 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.185 7.523 -3.914 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.288 8.092 -6.067 1.00 0.00 C ATOM 0 H VAL A 82 -12.682 7.972 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.601 9.765 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.222 9.487 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.375 7.118 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.777 7.924 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.898 6.731 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.408 7.673 -6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.041 7.313 -5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.693 8.897 -6.679 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.490 11.606 -4.486 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.072 12.723 -5.210 1.00 0.00 C ATOM 1346 C ALA A 83 -11.026 13.140 -6.226 1.00 0.00 C ATOM 1347 O ALA A 83 -9.872 13.368 -5.860 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.406 13.873 -4.256 1.00 0.00 C ATOM 0 H ALA A 83 -10.780 11.892 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.008 12.447 -5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.841 14.699 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.120 13.529 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.496 14.211 -3.761 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.399 13.182 -7.499 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.446 13.364 -8.586 1.00 0.00 C ATOM 1356 C ASP A 84 -10.176 14.851 -8.774 1.00 0.00 C ATOM 1357 O ASP A 84 -10.873 15.524 -9.536 1.00 0.00 O ATOM 1358 CB ASP A 84 -10.977 12.699 -9.859 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.019 12.797 -11.052 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -8.905 13.350 -10.927 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -10.388 12.282 -12.130 1.00 0.00 O ATOM 0 H ASP A 84 -12.367 13.091 -7.806 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.498 12.884 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.179 11.648 -9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.928 13.159 -10.129 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.193 15.368 -8.032 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.802 16.775 -8.043 1.00 0.00 C ATOM 1368 C ILE A 85 -8.418 17.178 -9.476 1.00 0.00 C ATOM 1369 O ILE A 85 -8.806 18.251 -9.942 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.629 17.059 -7.067 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.754 16.405 -5.671 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.481 18.577 -6.860 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.447 16.496 -4.868 1.00 0.00 C ATOM 0 H ILE A 85 -8.635 14.803 -7.392 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.649 17.370 -7.703 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.759 16.612 -7.547 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.555 16.891 -5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.036 15.358 -5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.657 18.772 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.278 19.057 -7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.404 18.979 -6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.584 16.023 -3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.651 15.986 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.178 17.543 -4.728 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.673 16.315 -10.177 1.00 0.00 N ATOM 1386 CA GLY A 86 -7.204 16.589 -11.528 1.00 0.00 C ATOM 1387 C GLY A 86 -8.367 16.675 -12.518 1.00 0.00 C ATOM 1388 O GLY A 86 -8.376 17.553 -13.384 1.00 0.00 O ATOM 0 H GLY A 86 -7.381 15.406 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.646 17.525 -11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.515 15.805 -11.841 1.00 0.00 H new ATOM 1392 N GLY A 87 -9.354 15.788 -12.380 1.00 0.00 N ATOM 1393 CA GLY A 87 -10.452 15.660 -13.326 1.00 0.00 C ATOM 1394 C GLY A 87 -11.558 16.686 -13.095 1.00 0.00 C ATOM 1395 O GLY A 87 -11.980 17.339 -14.053 1.00 0.00 O ATOM 0 H GLY A 87 -9.410 15.134 -11.599 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.066 15.771 -14.339 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.873 14.657 -13.253 1.00 0.00 H new ATOM 1399 N LYS A 88 -12.035 16.841 -11.852 1.00 0.00 N ATOM 1400 CA LYS A 88 -13.236 17.637 -11.554 1.00 0.00 C ATOM 1401 C LYS A 88 -13.164 18.371 -10.217 1.00 0.00 C ATOM 1402 O LYS A 88 -13.716 19.465 -10.116 1.00 0.00 O ATOM 1403 CB LYS A 88 -14.488 16.732 -11.534 1.00 0.00 C ATOM 1404 CG LYS A 88 -14.844 16.113 -12.897 1.00 0.00 C ATOM 1405 CD LYS A 88 -16.136 15.278 -12.857 1.00 0.00 C ATOM 1406 CE LYS A 88 -17.418 16.070 -12.541 1.00 0.00 C ATOM 1407 NZ LYS A 88 -17.778 17.042 -13.606 1.00 0.00 N ATOM 0 H LYS A 88 -11.603 16.421 -11.029 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.297 18.383 -12.346 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.330 15.929 -10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.338 17.315 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.954 16.909 -13.634 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.020 15.482 -13.230 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.261 14.785 -13.821 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.019 14.493 -12.110 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.244 15.373 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.286 16.603 -11.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.648 17.545 -13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.005 17.728 -13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.933 16.535 -14.501 1.00 0.00 H new ATOM 1421 N ASP A 89 -12.522 17.782 -9.201 1.00 0.00 N ATOM 1422 CA ASP A 89 -12.538 18.235 -7.801 1.00 0.00 C ATOM 1423 C ASP A 89 -13.971 18.425 -7.264 1.00 0.00 C ATOM 1424 O ASP A 89 -14.226 19.242 -6.378 1.00 0.00 O ATOM 1425 CB ASP A 89 -11.659 19.484 -7.630 1.00 0.00 C ATOM 1426 CG ASP A 89 -11.418 19.847 -6.152 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -11.121 18.946 -5.336 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -11.469 21.052 -5.810 1.00 0.00 O ATOM 0 H ASP A 89 -11.955 16.945 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 89 -12.104 17.448 -7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -10.699 19.317 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.132 20.327 -8.134 1.00 0.00 H new ATOM 1433 N ASP A 90 -14.930 17.690 -7.837 1.00 0.00 N ATOM 1434 CA ASP A 90 -16.370 17.878 -7.615 1.00 0.00 C ATOM 1435 C ASP A 90 -17.158 16.562 -7.745 1.00 0.00 C ATOM 1436 O ASP A 90 -18.389 16.564 -7.752 1.00 0.00 O ATOM 1437 CB ASP A 90 -16.889 18.939 -8.604 1.00 0.00 C ATOM 1438 CG ASP A 90 -18.338 19.376 -8.318 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -18.637 19.812 -7.182 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -19.174 19.357 -9.250 1.00 0.00 O ATOM 0 H ASP A 90 -14.723 16.929 -8.484 1.00 0.00 H new ATOM 0 HA ASP A 90 -16.523 18.221 -6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -16.238 19.813 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -16.829 18.542 -9.617 1.00 0.00 H new ATOM 1445 N ASP A 91 -16.469 15.419 -7.847 1.00 0.00 N ATOM 1446 CA ASP A 91 -17.082 14.090 -7.892 1.00 0.00 C ATOM 1447 C ASP A 91 -16.120 13.082 -7.261 1.00 0.00 C ATOM 1448 O ASP A 91 -14.922 13.363 -7.141 1.00 0.00 O ATOM 1449 CB ASP A 91 -17.420 13.694 -9.340 1.00 0.00 C ATOM 1450 CG ASP A 91 -18.261 12.405 -9.431 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -18.994 12.074 -8.471 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -18.232 11.741 -10.491 1.00 0.00 O ATOM 0 H ASP A 91 -15.451 15.394 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 91 -18.016 14.100 -7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -17.963 14.510 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.494 13.558 -9.899 1.00 0.00 H new ATOM 1457 N VAL A 92 -16.632 11.921 -6.851 1.00 0.00 N ATOM 1458 CA VAL A 92 -15.917 10.938 -6.047 1.00 0.00 C ATOM 1459 C VAL A 92 -16.022 9.576 -6.741 1.00 0.00 C ATOM 1460 O VAL A 92 -17.014 9.255 -7.402 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.464 10.925 -4.601 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -15.695 9.966 -3.678 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.426 12.325 -3.960 1.00 0.00 C ATOM 0 H VAL A 92 -17.584 11.633 -7.078 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.861 11.196 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.494 10.581 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.125 10.001 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.766 8.951 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.648 10.265 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -16.819 12.271 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.397 12.685 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.035 13.011 -4.549 1.00 0.00 H new ATOM 1473 N TYR A 93 -14.963 8.794 -6.572 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.669 7.548 -7.253 1.00 0.00 C ATOM 1475 C TYR A 93 -14.133 6.560 -6.211 1.00 0.00 C ATOM 1476 O TYR A 93 -13.953 6.909 -5.041 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.615 7.820 -8.350 1.00 0.00 C ATOM 1478 CG TYR A 93 -13.986 8.892 -9.365 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -13.785 10.255 -9.062 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -14.532 8.529 -10.611 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -14.165 11.250 -9.979 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.887 9.518 -11.546 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.708 10.886 -11.232 1.00 0.00 C ATOM 1484 OH TYR A 93 -15.040 11.857 -12.129 1.00 0.00 O ATOM 0 H TYR A 93 -14.233 9.037 -5.902 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.558 7.129 -7.724 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.681 8.109 -7.868 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.424 6.889 -8.884 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.337 10.535 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.679 7.486 -10.850 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.042 12.293 -9.726 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.296 9.233 -12.504 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.399 11.443 -12.941 1.00 0.00 H new ATOM 1494 N THR A 94 -13.822 5.345 -6.653 1.00 0.00 N ATOM 1495 CA THR A 94 -13.162 4.334 -5.836 1.00 0.00 C ATOM 1496 C THR A 94 -11.915 3.877 -6.592 1.00 0.00 C ATOM 1497 O THR A 94 -11.947 3.725 -7.818 1.00 0.00 O ATOM 1498 CB THR A 94 -14.133 3.181 -5.509 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.401 3.677 -5.110 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.610 2.291 -4.378 1.00 0.00 C ATOM 0 H THR A 94 -14.025 5.032 -7.602 1.00 0.00 H new ATOM 0 HA THR A 94 -12.857 4.738 -4.871 1.00 0.00 H new ATOM 0 HB THR A 94 -14.221 2.596 -6.425 1.00 0.00 H new ATOM 0 HG1 THR A 94 -15.998 2.926 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.326 1.493 -4.182 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.654 1.857 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.477 2.889 -3.476 1.00 0.00 H new ATOM 1508 N ALA A 95 -10.823 3.666 -5.859 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.541 3.224 -6.379 1.00 0.00 C ATOM 1510 C ALA A 95 -9.035 2.091 -5.492 1.00 0.00 C ATOM 1511 O ALA A 95 -9.382 2.016 -4.312 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.558 4.402 -6.380 1.00 0.00 C ATOM 0 H ALA A 95 -10.812 3.805 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.639 2.865 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.595 4.072 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -8.949 5.202 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.430 4.770 -5.362 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.199 1.213 -6.045 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.487 0.225 -5.254 1.00 0.00 C ATOM 1520 C LYS A 96 -6.450 0.980 -4.441 1.00 0.00 C ATOM 1521 O LYS A 96 -5.756 1.844 -4.980 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.788 -0.783 -6.177 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.766 -1.705 -6.924 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.044 -2.457 -8.052 1.00 0.00 C ATOM 1525 CE LYS A 96 -6.897 -1.569 -9.300 1.00 0.00 C ATOM 1526 NZ LYS A 96 -5.707 -1.917 -10.111 1.00 0.00 N ATOM 0 H LYS A 96 -8.001 1.171 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.172 -0.325 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.184 -0.241 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.104 -1.393 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.206 -2.418 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.585 -1.117 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.059 -2.775 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.600 -3.359 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.792 -1.663 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.830 -0.525 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.754 -1.424 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.846 -1.628 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.685 -2.944 -10.272 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.273 0.606 -3.177 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.151 1.101 -2.379 1.00 0.00 C ATOM 1542 C LEU A 97 -3.832 0.686 -3.053 1.00 0.00 C ATOM 1543 O LEU A 97 -2.837 1.401 -2.974 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.244 0.547 -0.949 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.208 1.147 0.024 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.419 2.653 0.230 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.325 0.442 1.378 1.00 0.00 C ATOM 0 H LEU A 97 -6.890 -0.037 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.185 2.189 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.245 0.737 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.114 -0.535 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.219 1.000 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.668 3.034 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.326 3.168 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.413 2.828 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.595 0.861 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.329 0.586 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.134 -0.624 1.251 1.00 0.00 H new ATOM 1559 N SER A 98 -3.856 -0.436 -3.779 1.00 0.00 N ATOM 1560 CA SER A 98 -2.761 -0.957 -4.587 1.00 0.00 C ATOM 1561 C SER A 98 -2.317 0.002 -5.705 1.00 0.00 C ATOM 1562 O SER A 98 -1.215 -0.148 -6.232 1.00 0.00 O ATOM 1563 CB SER A 98 -3.231 -2.285 -5.193 1.00 0.00 C ATOM 1564 OG SER A 98 -3.848 -3.080 -4.190 1.00 0.00 O ATOM 0 H SER A 98 -4.683 -1.031 -3.818 1.00 0.00 H new ATOM 0 HA SER A 98 -1.890 -1.087 -3.945 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.934 -2.096 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.384 -2.819 -5.623 1.00 0.00 H new ATOM 0 HG SER A 98 -3.284 -3.857 -3.996 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.145 0.992 -6.056 1.00 0.00 N ATOM 1571 CA ASP A 99 -2.899 1.925 -7.152 1.00 0.00 C ATOM 1572 C ASP A 99 -2.706 3.336 -6.581 1.00 0.00 C ATOM 1573 O ASP A 99 -2.741 4.305 -7.328 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.055 1.877 -8.181 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.024 0.685 -9.149 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -3.789 -0.469 -8.723 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.351 0.883 -10.342 1.00 0.00 O ATOM 0 H ASP A 99 -4.025 1.168 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.990 1.637 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.001 1.859 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.039 2.798 -8.764 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.511 3.498 -5.270 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.404 4.800 -4.614 1.00 0.00 C ATOM 1584 C ILE A 100 -1.031 4.932 -3.968 1.00 0.00 C ATOM 1585 O ILE A 100 -0.436 3.966 -3.485 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.584 4.978 -3.622 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -4.836 5.414 -4.414 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.328 5.913 -2.419 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.034 6.918 -4.610 1.00 0.00 C ATOM 0 H ILE A 100 -2.422 2.713 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.484 5.611 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.729 4.005 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.798 4.945 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.715 5.018 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.222 5.959 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.496 5.528 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.086 6.912 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.946 7.094 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.114 7.404 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.183 7.329 -5.152 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.565 6.174 -3.947 1.00 0.00 N ATOM 1602 CA GLU A 101 0.606 6.618 -3.208 1.00 0.00 C ATOM 1603 C GLU A 101 0.236 7.970 -2.593 1.00 0.00 C ATOM 1604 O GLU A 101 -0.439 8.773 -3.240 1.00 0.00 O ATOM 1605 CB GLU A 101 1.819 6.701 -4.149 1.00 0.00 C ATOM 1606 CG GLU A 101 3.102 7.192 -3.459 1.00 0.00 C ATOM 1607 CD GLU A 101 3.565 6.278 -2.307 1.00 0.00 C ATOM 1608 OE1 GLU A 101 2.919 6.282 -1.234 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.591 5.578 -2.467 1.00 0.00 O ATOM 0 H GLU A 101 -1.012 6.929 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 101 0.890 5.923 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.002 5.716 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.582 7.371 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.899 7.264 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.936 8.197 -3.071 1.00 0.00 H new ATOM 1616 N ALA A 102 0.618 8.219 -1.340 1.00 0.00 N ATOM 1617 CA ALA A 102 0.219 9.439 -0.643 1.00 0.00 C ATOM 1618 C ALA A 102 1.151 10.606 -0.966 1.00 0.00 C ATOM 1619 O ALA A 102 2.314 10.419 -1.328 1.00 0.00 O ATOM 1620 CB ALA A 102 0.201 9.220 0.868 1.00 0.00 C ATOM 0 H ALA A 102 1.203 7.591 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.784 9.687 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.099 10.142 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.508 8.429 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.197 8.933 1.206 1.00 0.00 H new ATOM 1626 N ILE A 103 0.639 11.817 -0.748 1.00 0.00 N ATOM 1627 CA ILE A 103 1.355 13.076 -0.888 1.00 0.00 C ATOM 1628 C ILE A 103 1.093 13.891 0.384 1.00 0.00 C ATOM 1629 O ILE A 103 -0.046 13.995 0.839 1.00 0.00 O ATOM 1630 CB ILE A 103 0.862 13.815 -2.162 1.00 0.00 C ATOM 1631 CG1 ILE A 103 1.031 12.979 -3.457 1.00 0.00 C ATOM 1632 CG2 ILE A 103 1.575 15.170 -2.332 1.00 0.00 C ATOM 1633 CD1 ILE A 103 0.253 13.547 -4.652 1.00 0.00 C ATOM 0 H ILE A 103 -0.329 11.948 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 103 2.428 12.920 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.205 13.977 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.089 12.928 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.699 11.958 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.209 15.663 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.372 15.799 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.649 15.007 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.415 12.915 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.811 13.573 -4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.602 14.557 -4.866 1.00 0.00 H new ATOM 1645 N ASP A 104 2.159 14.501 0.917 1.00 0.00 N ATOM 1646 CA ASP A 104 2.131 15.468 2.020 1.00 0.00 C ATOM 1647 C ASP A 104 1.271 15.004 3.205 1.00 0.00 C ATOM 1648 O ASP A 104 0.423 15.738 3.720 1.00 0.00 O ATOM 1649 CB ASP A 104 1.761 16.862 1.489 1.00 0.00 C ATOM 1650 CG ASP A 104 1.888 17.959 2.565 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.896 17.982 3.308 1.00 0.00 O ATOM 1652 OD2 ASP A 104 1.010 18.849 2.634 1.00 0.00 O ATOM 0 H ASP A 104 3.104 14.326 0.576 1.00 0.00 H new ATOM 0 HA ASP A 104 3.135 15.538 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.406 17.109 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.738 16.844 1.113 1.00 0.00 H new ATOM 1657 N VAL A 105 1.481 13.752 3.621 1.00 0.00 N ATOM 1658 CA VAL A 105 0.764 13.133 4.741 1.00 0.00 C ATOM 1659 C VAL A 105 1.734 12.746 5.870 1.00 0.00 C ATOM 1660 O VAL A 105 2.953 12.894 5.731 1.00 0.00 O ATOM 1661 CB VAL A 105 -0.113 11.978 4.213 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.668 10.681 3.964 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -1.326 11.734 5.115 1.00 0.00 C ATOM 0 H VAL A 105 2.162 13.131 3.184 1.00 0.00 H new ATOM 0 HA VAL A 105 0.082 13.848 5.201 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.475 12.303 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.011 9.913 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.448 10.862 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.123 10.345 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.920 10.914 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.987 11.477 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.935 12.637 5.157 1.00 0.00 H new ATOM 1673 N ASP A 106 1.193 12.284 7.003 1.00 0.00 N ATOM 1674 CA ASP A 106 1.987 11.889 8.163 1.00 0.00 C ATOM 1675 C ASP A 106 2.609 10.513 7.938 1.00 0.00 C ATOM 1676 O ASP A 106 2.184 9.734 7.079 1.00 0.00 O ATOM 1677 CB ASP A 106 1.135 11.866 9.440 1.00 0.00 C ATOM 1678 CG ASP A 106 1.952 11.825 10.746 1.00 0.00 C ATOM 1679 OD1 ASP A 106 3.150 12.187 10.746 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.386 11.438 11.792 1.00 0.00 O ATOM 0 H ASP A 106 0.188 12.175 7.138 1.00 0.00 H new ATOM 0 HA ASP A 106 2.778 12.628 8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.496 12.749 9.452 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.478 10.997 9.409 1.00 0.00 H new ATOM 1685 N ASP A 107 3.600 10.212 8.763 1.00 0.00 N ATOM 1686 CA ASP A 107 4.482 9.060 8.617 1.00 0.00 C ATOM 1687 C ASP A 107 3.700 7.752 8.652 1.00 0.00 C ATOM 1688 O ASP A 107 3.905 6.899 7.795 1.00 0.00 O ATOM 1689 CB ASP A 107 5.545 9.076 9.718 1.00 0.00 C ATOM 1690 CG ASP A 107 6.467 7.850 9.613 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.322 7.813 8.700 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.379 6.951 10.479 1.00 0.00 O ATOM 0 H ASP A 107 3.821 10.781 9.580 1.00 0.00 H new ATOM 0 HA ASP A 107 4.970 9.126 7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.137 9.988 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.062 9.089 10.695 1.00 0.00 H new ATOM 1697 N ASP A 108 2.758 7.612 9.591 1.00 0.00 N ATOM 1698 CA ASP A 108 1.971 6.388 9.741 1.00 0.00 C ATOM 1699 C ASP A 108 1.100 6.152 8.508 1.00 0.00 C ATOM 1700 O ASP A 108 0.997 5.019 8.037 1.00 0.00 O ATOM 1701 CB ASP A 108 1.087 6.446 10.997 1.00 0.00 C ATOM 1702 CG ASP A 108 1.867 6.129 12.281 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.187 4.944 12.525 1.00 0.00 O ATOM 1704 OD2 ASP A 108 2.149 7.061 13.068 1.00 0.00 O ATOM 0 H ASP A 108 2.522 8.341 10.264 1.00 0.00 H new ATOM 0 HA ASP A 108 2.670 5.559 9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.645 7.439 11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.265 5.738 10.891 1.00 0.00 H new ATOM 1709 N THR A 109 0.502 7.207 7.946 1.00 0.00 N ATOM 1710 CA THR A 109 -0.344 7.070 6.767 1.00 0.00 C ATOM 1711 C THR A 109 0.518 6.618 5.582 1.00 0.00 C ATOM 1712 O THR A 109 0.146 5.675 4.877 1.00 0.00 O ATOM 1713 CB THR A 109 -1.121 8.381 6.532 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.903 8.676 7.680 1.00 0.00 O ATOM 1715 CG2 THR A 109 -2.119 8.294 5.379 1.00 0.00 C ATOM 0 H THR A 109 0.591 8.163 8.292 1.00 0.00 H new ATOM 0 HA THR A 109 -1.102 6.299 6.905 1.00 0.00 H new ATOM 0 HB THR A 109 -0.366 9.135 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.397 9.510 7.534 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.631 9.250 5.268 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.589 8.057 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.850 7.513 5.589 1.00 0.00 H new ATOM 1723 N GLN A 110 1.706 7.210 5.401 1.00 0.00 N ATOM 1724 CA GLN A 110 2.613 6.773 4.349 1.00 0.00 C ATOM 1725 C GLN A 110 3.073 5.333 4.567 1.00 0.00 C ATOM 1726 O GLN A 110 3.155 4.593 3.588 1.00 0.00 O ATOM 1727 CB GLN A 110 3.832 7.708 4.229 1.00 0.00 C ATOM 1728 CG GLN A 110 3.770 8.579 2.969 1.00 0.00 C ATOM 1729 CD GLN A 110 4.042 7.875 1.626 1.00 0.00 C ATOM 1730 OE1 GLN A 110 4.552 8.511 0.708 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.706 6.605 1.428 1.00 0.00 N ATOM 0 H GLN A 110 2.053 7.985 5.967 1.00 0.00 H new ATOM 0 HA GLN A 110 2.055 6.816 3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.885 8.348 5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.745 7.112 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 110 2.781 9.036 2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.490 9.390 3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.282 6.066 2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.872 6.169 0.521 1.00 0.00 H new ATOM 1740 N GLU A 111 3.367 4.939 5.805 1.00 0.00 N ATOM 1741 CA GLU A 111 3.852 3.606 6.134 1.00 0.00 C ATOM 1742 C GLU A 111 2.800 2.552 5.824 1.00 0.00 C ATOM 1743 O GLU A 111 3.142 1.524 5.250 1.00 0.00 O ATOM 1744 CB GLU A 111 4.263 3.538 7.614 1.00 0.00 C ATOM 1745 CG GLU A 111 5.666 4.118 7.848 1.00 0.00 C ATOM 1746 CD GLU A 111 6.808 3.218 7.342 1.00 0.00 C ATOM 1747 OE1 GLU A 111 6.550 2.087 6.870 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.996 3.596 7.450 1.00 0.00 O ATOM 0 H GLU A 111 3.272 5.548 6.617 1.00 0.00 H new ATOM 0 HA GLU A 111 4.727 3.400 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.539 4.086 8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.238 2.501 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 111 5.735 5.087 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.802 4.294 8.915 1.00 0.00 H new ATOM 1755 N ALA A 112 1.526 2.807 6.135 1.00 0.00 N ATOM 1756 CA ALA A 112 0.445 1.881 5.811 1.00 0.00 C ATOM 1757 C ALA A 112 0.388 1.623 4.303 1.00 0.00 C ATOM 1758 O ALA A 112 0.243 0.483 3.863 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.887 2.463 6.289 1.00 0.00 C ATOM 0 H ALA A 112 1.220 3.654 6.614 1.00 0.00 H new ATOM 0 HA ALA A 112 0.632 0.933 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.694 1.771 6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.851 2.616 7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.066 3.417 5.793 1.00 0.00 H new ATOM 1765 N ILE A 113 0.507 2.691 3.514 1.00 0.00 N ATOM 1766 CA ILE A 113 0.400 2.628 2.063 1.00 0.00 C ATOM 1767 C ILE A 113 1.615 1.891 1.493 1.00 0.00 C ATOM 1768 O ILE A 113 1.447 0.933 0.740 1.00 0.00 O ATOM 1769 CB ILE A 113 0.231 4.066 1.540 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -1.156 4.583 1.981 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.394 4.169 0.018 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -1.268 6.100 1.941 1.00 0.00 C ATOM 0 H ILE A 113 0.682 3.630 3.871 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.470 2.058 1.736 1.00 0.00 H new ATOM 0 HB ILE A 113 1.022 4.683 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.920 4.151 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.361 4.236 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.264 5.206 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.390 3.827 -0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.356 3.547 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.266 6.400 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.525 6.537 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.093 6.451 0.924 1.00 0.00 H new ATOM 1784 N ALA A 114 2.829 2.290 1.883 1.00 0.00 N ATOM 1785 CA ALA A 114 4.056 1.630 1.455 1.00 0.00 C ATOM 1786 C ALA A 114 4.034 0.144 1.831 1.00 0.00 C ATOM 1787 O ALA A 114 4.419 -0.703 1.029 1.00 0.00 O ATOM 1788 CB ALA A 114 5.265 2.328 2.087 1.00 0.00 C ATOM 0 H ALA A 114 2.984 3.082 2.506 1.00 0.00 H new ATOM 0 HA ALA A 114 4.133 1.700 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.181 1.832 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.288 3.372 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.188 2.277 3.173 1.00 0.00 H new ATOM 1794 N ASP A 115 3.539 -0.177 3.025 1.00 0.00 N ATOM 1795 CA ASP A 115 3.461 -1.556 3.501 1.00 0.00 C ATOM 1796 C ASP A 115 2.492 -2.389 2.662 1.00 0.00 C ATOM 1797 O ASP A 115 2.773 -3.545 2.341 1.00 0.00 O ATOM 1798 CB ASP A 115 3.047 -1.611 4.971 1.00 0.00 C ATOM 1799 CG ASP A 115 3.256 -3.023 5.525 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.431 -3.370 5.784 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.259 -3.737 5.760 1.00 0.00 O ATOM 0 H ASP A 115 3.181 0.510 3.688 1.00 0.00 H new ATOM 0 HA ASP A 115 4.459 -1.982 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.632 -0.895 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.001 -1.323 5.073 1.00 0.00 H new ATOM 1806 N TRP A 116 1.375 -1.788 2.241 1.00 0.00 N ATOM 1807 CA TRP A 116 0.447 -2.439 1.329 1.00 0.00 C ATOM 1808 C TRP A 116 1.096 -2.650 -0.043 1.00 0.00 C ATOM 1809 O TRP A 116 0.892 -3.690 -0.668 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.857 -1.641 1.205 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.879 -2.352 0.375 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.226 -2.041 -0.894 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.608 -3.575 0.696 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.088 -2.995 -1.391 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.367 -3.961 -0.448 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.679 -4.415 1.830 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.164 -5.114 -0.455 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.478 -5.574 1.828 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.221 -5.925 0.689 1.00 0.00 C ATOM 0 H TRP A 116 1.096 -0.848 2.522 1.00 0.00 H new ATOM 0 HA TRP A 116 0.198 -3.417 1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.264 -1.456 2.199 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.645 -0.668 0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.880 -1.174 -1.437 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.471 -2.987 -2.336 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.111 -4.164 2.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.731 -5.377 -1.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.520 -6.198 2.709 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.833 -6.815 0.693 1.00 0.00 H new ATOM 1830 N LEU A 117 1.915 -1.704 -0.514 1.00 0.00 N ATOM 1831 CA LEU A 117 2.652 -1.871 -1.762 1.00 0.00 C ATOM 1832 C LEU A 117 3.691 -2.994 -1.644 1.00 0.00 C ATOM 1833 O LEU A 117 3.951 -3.661 -2.649 1.00 0.00 O ATOM 1834 CB LEU A 117 3.287 -0.547 -2.225 1.00 0.00 C ATOM 1835 CG LEU A 117 2.265 0.543 -2.621 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.994 1.858 -2.912 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.420 0.151 -3.841 1.00 0.00 C ATOM 0 H LEU A 117 2.082 -0.814 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 117 1.939 -2.167 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.920 -0.162 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.936 -0.747 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 117 1.585 0.661 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.268 2.622 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.535 2.179 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.698 1.710 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.721 0.954 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.073 -0.019 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.865 -0.761 -3.621 1.00 0.00 H new ATOM 1849 N TYR A 118 4.242 -3.270 -0.451 1.00 0.00 N ATOM 1850 CA TYR A 118 5.061 -4.466 -0.259 1.00 0.00 C ATOM 1851 C TYR A 118 4.189 -5.697 -0.485 1.00 0.00 C ATOM 1852 O TYR A 118 4.543 -6.539 -1.300 1.00 0.00 O ATOM 1853 CB TYR A 118 5.701 -4.574 1.137 1.00 0.00 C ATOM 1854 CG TYR A 118 6.484 -3.401 1.695 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.088 -2.432 0.868 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.612 -3.303 3.093 1.00 0.00 C ATOM 1857 CE1 TYR A 118 7.794 -1.359 1.439 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.301 -2.227 3.669 1.00 0.00 C ATOM 1859 CZ TYR A 118 7.904 -1.253 2.845 1.00 0.00 C ATOM 1860 OH TYR A 118 8.585 -0.225 3.421 1.00 0.00 O ATOM 0 H TYR A 118 4.135 -2.688 0.380 1.00 0.00 H new ATOM 0 HA TYR A 118 5.879 -4.398 -0.976 1.00 0.00 H new ATOM 0 HB2 TYR A 118 4.903 -4.800 1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.369 -5.435 1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.008 -2.514 -0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.176 -4.062 3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.253 -0.615 0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.370 -2.143 4.744 1.00 0.00 H new ATOM 0 HH TYR A 118 8.530 0.567 2.846 1.00 0.00 H new ATOM 1870 N TRP A 119 3.043 -5.796 0.196 1.00 0.00 N ATOM 1871 CA TRP A 119 2.128 -6.933 0.091 1.00 0.00 C ATOM 1872 C TRP A 119 1.693 -7.179 -1.361 1.00 0.00 C ATOM 1873 O TRP A 119 1.630 -8.329 -1.808 1.00 0.00 O ATOM 1874 CB TRP A 119 0.938 -6.685 1.028 1.00 0.00 C ATOM 1875 CG TRP A 119 -0.275 -7.533 0.811 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -1.213 -7.309 -0.134 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -0.746 -8.694 1.563 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.217 -8.240 -0.022 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -2.018 -9.080 1.046 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.246 -9.445 2.646 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -2.778 -10.115 1.606 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -1.011 -10.470 3.234 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -2.282 -10.798 2.725 1.00 0.00 C ATOM 0 H TRP A 119 2.722 -5.077 0.845 1.00 0.00 H new ATOM 0 HA TRP A 119 2.636 -7.846 0.400 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.276 -6.831 2.054 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.644 -5.640 0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.179 -6.517 -0.868 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -3.014 -8.300 -0.656 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.740 -9.231 3.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -3.734 -10.383 1.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.619 -11.010 4.083 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.872 -11.572 3.194 1.00 0.00 H new ATOM 1894 N LEU A 120 1.442 -6.107 -2.118 1.00 0.00 N ATOM 1895 CA LEU A 120 1.096 -6.167 -3.529 1.00 0.00 C ATOM 1896 C LEU A 120 2.200 -6.875 -4.317 1.00 0.00 C ATOM 1897 O LEU A 120 1.936 -7.886 -4.967 1.00 0.00 O ATOM 1898 CB LEU A 120 0.865 -4.726 -4.018 1.00 0.00 C ATOM 1899 CG LEU A 120 0.518 -4.571 -5.509 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -0.825 -5.221 -5.852 1.00 0.00 C ATOM 1901 CD2 LEU A 120 0.477 -3.075 -5.833 1.00 0.00 C ATOM 0 H LEU A 120 1.476 -5.155 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 120 0.186 -6.746 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.059 -4.288 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.763 -4.144 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 120 1.277 -5.076 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.032 -5.089 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.784 -6.285 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.616 -4.752 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.233 -2.937 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.281 -2.590 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.451 -2.631 -5.626 1.00 0.00 H new ATOM 1913 N ALA A 121 3.439 -6.383 -4.223 1.00 0.00 N ATOM 1914 CA ALA A 121 4.579 -6.963 -4.929 1.00 0.00 C ATOM 1915 C ALA A 121 4.975 -8.342 -4.373 1.00 0.00 C ATOM 1916 O ALA A 121 5.525 -9.166 -5.105 1.00 0.00 O ATOM 1917 CB ALA A 121 5.752 -5.982 -4.855 1.00 0.00 C ATOM 0 H ALA A 121 3.677 -5.571 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 121 4.296 -7.128 -5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.611 -6.402 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.468 -5.039 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 121 6.013 -5.806 -3.812 1.00 0.00 H new ATOM 1923 N ARG A 122 4.688 -8.613 -3.095 1.00 0.00 N ATOM 1924 CA ARG A 122 4.933 -9.895 -2.429 1.00 0.00 C ATOM 1925 C ARG A 122 4.059 -10.996 -3.029 1.00 0.00 C ATOM 1926 O ARG A 122 4.432 -12.166 -2.932 1.00 0.00 O ATOM 1927 CB ARG A 122 4.686 -9.717 -0.917 1.00 0.00 C ATOM 1928 CG ARG A 122 4.944 -10.922 0.000 1.00 0.00 C ATOM 1929 CD ARG A 122 6.395 -11.414 -0.020 1.00 0.00 C ATOM 1930 NE ARG A 122 6.626 -12.435 -1.053 1.00 0.00 N ATOM 1931 CZ ARG A 122 7.666 -13.276 -1.075 1.00 0.00 C ATOM 1932 NH1 ARG A 122 8.683 -13.131 -0.229 1.00 0.00 N ATOM 1933 NH2 ARG A 122 7.687 -14.265 -1.963 1.00 0.00 N ATOM 0 H ARG A 122 4.264 -7.922 -2.476 1.00 0.00 H new ATOM 0 HA ARG A 122 5.967 -10.205 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.311 -8.894 -0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.649 -9.410 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.675 -10.654 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.288 -11.740 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.060 -10.568 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.650 -11.825 0.957 1.00 0.00 H new ATOM 0 HE ARG A 122 5.944 -12.507 -1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.677 -12.370 0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 122 9.468 -13.781 -0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.915 -14.377 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.476 -14.911 -1.988 1.00 0.00 H new ATOM 1947 N GLY A 123 2.935 -10.638 -3.654 1.00 0.00 N ATOM 1948 CA GLY A 123 2.060 -11.581 -4.332 1.00 0.00 C ATOM 1949 C GLY A 123 0.925 -12.064 -3.430 1.00 0.00 C ATOM 1950 O GLY A 123 0.430 -13.171 -3.651 1.00 0.00 O ATOM 0 H GLY A 123 2.608 -9.673 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.640 -11.110 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.643 -12.438 -4.670 1.00 0.00 H new ATOM 1954 N TYR A 124 0.507 -11.235 -2.457 1.00 0.00 N ATOM 1955 CA TYR A 124 -0.573 -11.453 -1.496 1.00 0.00 C ATOM 1956 C TYR A 124 -0.382 -12.698 -0.611 1.00 0.00 C ATOM 1957 O TYR A 124 0.492 -13.537 -0.842 1.00 0.00 O ATOM 1958 CB TYR A 124 -1.915 -11.464 -2.250 1.00 0.00 C ATOM 1959 CG TYR A 124 -2.530 -10.110 -2.555 1.00 0.00 C ATOM 1960 CD1 TYR A 124 -1.830 -9.166 -3.330 1.00 0.00 C ATOM 1961 CD2 TYR A 124 -3.827 -9.806 -2.096 1.00 0.00 C ATOM 1962 CE1 TYR A 124 -2.423 -7.936 -3.645 1.00 0.00 C ATOM 1963 CE2 TYR A 124 -4.421 -8.568 -2.401 1.00 0.00 C ATOM 1964 CZ TYR A 124 -3.726 -7.630 -3.200 1.00 0.00 C ATOM 1965 OH TYR A 124 -4.280 -6.446 -3.567 1.00 0.00 O ATOM 0 H TYR A 124 0.953 -10.329 -2.317 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.562 -10.626 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -1.773 -11.995 -3.192 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -2.631 -12.040 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.834 -9.390 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.369 -10.529 -1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.877 -7.215 -4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -5.406 -8.334 -2.026 1.00 0.00 H new ATOM 0 HH TYR A 124 -5.103 -6.298 -3.057 1.00 0.00 H new ATOM 1975 N LYS A 125 -1.218 -12.814 0.431 1.00 0.00 N ATOM 1976 CA LYS A 125 -1.269 -13.991 1.320 1.00 0.00 C ATOM 1977 C LYS A 125 -2.704 -14.363 1.711 1.00 0.00 C ATOM 1978 O LYS A 125 -2.904 -15.168 2.624 1.00 0.00 O ATOM 1979 CB LYS A 125 -0.431 -13.789 2.595 1.00 0.00 C ATOM 1980 CG LYS A 125 0.970 -13.191 2.368 1.00 0.00 C ATOM 1981 CD LYS A 125 1.804 -13.045 3.651 1.00 0.00 C ATOM 1982 CE LYS A 125 2.323 -14.397 4.160 1.00 0.00 C ATOM 1983 NZ LYS A 125 3.180 -14.249 5.362 1.00 0.00 N ATOM 0 H LYS A 125 -1.886 -12.087 0.686 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.842 -14.812 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.982 -13.137 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.322 -14.751 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.513 -13.822 1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.864 -12.211 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 125 2.648 -12.382 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.198 -12.575 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.478 -15.044 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.890 -14.888 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.495 -15.187 5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.009 -13.667 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.638 -13.789 6.121 1.00 0.00 H new ATOM 1997 N PHE A 126 -3.703 -13.725 1.099 1.00 0.00 N ATOM 1998 CA PHE A 126 -5.093 -14.146 1.222 1.00 0.00 C ATOM 1999 C PHE A 126 -5.189 -15.615 0.792 1.00 0.00 C ATOM 2000 O PHE A 126 -5.894 -16.388 1.469 1.00 0.00 O ATOM 2001 CB PHE A 126 -5.997 -13.273 0.341 1.00 0.00 C ATOM 2002 CG PHE A 126 -6.261 -11.827 0.742 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -6.063 -11.365 2.059 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -6.763 -10.934 -0.226 1.00 0.00 C ATOM 2005 CE1 PHE A 126 -6.330 -10.025 2.392 1.00 0.00 C ATOM 2006 CE2 PHE A 126 -7.040 -9.596 0.109 1.00 0.00 C ATOM 2007 CZ PHE A 126 -6.817 -9.137 1.418 1.00 0.00 C ATOM 2008 OXT PHE A 126 -4.573 -15.991 -0.230 1.00 0.00 O ATOM 0 H PHE A 126 -3.569 -12.905 0.507 1.00 0.00 H new ATOM 0 HA PHE A 126 -5.425 -14.036 2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -5.566 -13.261 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -6.963 -13.773 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -5.704 -12.045 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -6.937 -11.280 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.160 -9.677 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -7.425 -8.921 -0.641 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.019 -8.107 1.674 1.00 0.00 H new TER 2018 PHE A 126 HETATM 2019 CA CA A 127 -7.456 5.643 12.087 1.00 0.00 CA HETATM 2020 CA CA A 128 -9.996 -18.556 11.575 1.00 0.00 CA