USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 36 GLN : amide:sc= -4.18! C(o=-6.6!,f=-8.6!) USER MOD Set 1.2: A 48 ASN : amide:sc= -2.43! K(o=-6.6!,f=-8.6) USER MOD Set 2.1: A 27 GLN : amide:sc= -14.2! C(o=-17!,f=-22!) USER MOD Set 2.2: A 30 THR OG1 : rot -170:sc= -3.68! USER MOD Set 2.3: A 32 TYR OH : rot -142:sc= 0.349 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -47:sc= -0.047 USER MOD Single : A 6 THR OG1 : rot -110:sc= -0.913 USER MOD Single : A 8 THR OG1 : rot -146:sc= -0.736 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -160:sc= -1.39 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 66:sc= 1.55 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -59:sc= 0.867 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -55:sc= -5.07! USER MOD Single : A 60 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.4!) USER MOD Single : A 62 SER OG : rot 1:sc= 0.124 USER MOD Single : A 64 SER OG : rot 51:sc= 0.193 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.98 USER MOD Single : A 72 SER OG : rot 34:sc= 0.751 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -154:sc= -4.99! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.1) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.059 K(o=-0.059,f=-0.8) USER MOD Single : A 130 NCZ O2 : rot 176:sc= 1.12 USER MOD Single : A 130 NCZ O5 : rot -131:sc= 0.0482 USER MOD Single : A 130 NCZ O6 : rot 121:sc= 0.0585 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.321 -7.949 9.127 1.00 0.00 N ATOM 2 CA ALA A 1 -8.182 -7.626 8.002 1.00 0.00 C ATOM 3 C ALA A 1 -9.609 -7.403 8.502 1.00 0.00 C ATOM 4 O ALA A 1 -10.281 -8.348 8.918 1.00 0.00 O ATOM 5 CB ALA A 1 -8.098 -8.741 6.958 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.350 -8.101 8.788 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.331 -7.164 9.809 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.665 -8.814 9.591 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.854 -6.704 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.744 -8.499 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.069 -8.838 6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.421 -9.682 7.404 1.00 0.00 H new ATOM 11 N ALA A 2 -10.034 -6.149 8.449 1.00 0.00 N ATOM 12 CA ALA A 2 -11.369 -5.790 8.893 1.00 0.00 C ATOM 13 C ALA A 2 -11.496 -4.266 8.937 1.00 0.00 C ATOM 14 O ALA A 2 -12.399 -3.696 8.328 1.00 0.00 O ATOM 15 CB ALA A 2 -11.649 -6.438 10.250 1.00 0.00 C ATOM 0 H ALA A 2 -9.476 -5.368 8.104 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.118 -6.163 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.651 -6.168 10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.577 -7.522 10.157 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.918 -6.087 10.979 1.00 0.00 H new ATOM 21 N PRO A 3 -10.550 -3.632 9.683 1.00 0.00 N ATOM 22 CA PRO A 3 -10.547 -2.186 9.815 1.00 0.00 C ATOM 23 C PRO A 3 -10.034 -1.519 8.537 1.00 0.00 C ATOM 24 O PRO A 3 -8.835 -1.538 8.261 1.00 0.00 O ATOM 25 CB PRO A 3 -9.672 -1.903 11.025 1.00 0.00 C ATOM 26 CG PRO A 3 -8.845 -3.160 11.245 1.00 0.00 C ATOM 27 CD PRO A 3 -9.465 -4.275 10.418 1.00 0.00 C ATOM 0 HA PRO A 3 -11.546 -1.775 9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.031 -1.039 10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.279 -1.677 11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.810 -2.993 10.947 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.833 -3.429 12.301 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.735 -4.718 9.740 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.839 -5.078 11.053 1.00 0.00 H new ATOM 35 N THR A 4 -10.966 -0.948 7.790 1.00 0.00 N ATOM 36 CA THR A 4 -10.623 -0.278 6.548 1.00 0.00 C ATOM 37 C THR A 4 -9.918 -1.244 5.596 1.00 0.00 C ATOM 38 O THR A 4 -10.182 -2.447 5.620 1.00 0.00 O ATOM 39 CB THR A 4 -9.784 0.956 6.891 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.454 0.453 6.990 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.082 1.495 8.292 1.00 0.00 C ATOM 0 H THR A 4 -11.959 -0.935 8.021 1.00 0.00 H new ATOM 0 HA THR A 4 -11.517 0.054 6.020 1.00 0.00 H new ATOM 0 HB THR A 4 -9.968 1.737 6.154 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.451 -0.357 7.541 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.461 2.370 8.485 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.133 1.775 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.864 0.725 9.032 1.00 0.00 H new ATOM 49 N ALA A 5 -9.035 -0.688 4.782 1.00 0.00 N ATOM 50 CA ALA A 5 -8.291 -1.488 3.824 1.00 0.00 C ATOM 51 C ALA A 5 -7.119 -2.168 4.536 1.00 0.00 C ATOM 52 O ALA A 5 -6.205 -1.498 5.013 1.00 0.00 O ATOM 53 CB ALA A 5 -7.831 -0.600 2.664 1.00 0.00 C ATOM 0 H ALA A 5 -8.817 0.308 4.765 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.923 -2.271 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.273 -1.200 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.701 -0.163 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.192 0.196 3.046 1.00 0.00 H new ATOM 59 N THR A 6 -7.187 -3.490 4.583 1.00 0.00 N ATOM 60 CA THR A 6 -6.143 -4.268 5.229 1.00 0.00 C ATOM 61 C THR A 6 -5.843 -5.532 4.421 1.00 0.00 C ATOM 62 O THR A 6 -6.723 -6.065 3.747 1.00 0.00 O ATOM 63 CB THR A 6 -6.587 -4.557 6.664 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.002 -4.702 6.567 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.398 -3.354 7.590 1.00 0.00 C ATOM 0 H THR A 6 -7.947 -4.042 4.185 1.00 0.00 H new ATOM 0 HA THR A 6 -5.205 -3.714 5.269 1.00 0.00 H new ATOM 0 HB THR A 6 -6.025 -5.406 7.053 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.439 -3.939 6.999 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.729 -3.613 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.344 -3.076 7.615 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.986 -2.514 7.220 1.00 0.00 H new ATOM 73 N VAL A 7 -4.597 -5.974 4.513 1.00 0.00 N ATOM 74 CA VAL A 7 -4.171 -7.166 3.800 1.00 0.00 C ATOM 75 C VAL A 7 -4.533 -8.405 4.620 1.00 0.00 C ATOM 76 O VAL A 7 -4.273 -8.457 5.820 1.00 0.00 O ATOM 77 CB VAL A 7 -2.676 -7.076 3.480 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.053 -8.470 3.385 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.438 -6.281 2.195 1.00 0.00 C ATOM 0 H VAL A 7 -3.869 -5.528 5.071 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.692 -7.247 2.846 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.189 -6.545 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.991 -8.379 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.177 -8.989 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.547 -9.036 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.369 -6.232 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.944 -6.772 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.831 -5.271 2.314 1.00 0.00 H new ATOM 89 N THR A 8 -5.128 -9.373 3.939 1.00 0.00 N ATOM 90 CA THR A 8 -5.529 -10.609 4.590 1.00 0.00 C ATOM 91 C THR A 8 -4.585 -10.930 5.748 1.00 0.00 C ATOM 92 O THR A 8 -4.955 -10.790 6.914 1.00 0.00 O ATOM 93 CB THR A 8 -5.583 -11.708 3.527 1.00 0.00 C ATOM 94 OG1 THR A 8 -6.925 -11.662 3.048 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.450 -13.109 4.126 1.00 0.00 C ATOM 0 H THR A 8 -5.342 -9.327 2.943 1.00 0.00 H new ATOM 0 HA THR A 8 -6.520 -10.519 5.034 1.00 0.00 H new ATOM 0 HB THR A 8 -4.788 -11.547 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.220 -12.567 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.495 -13.851 3.329 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.496 -13.193 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.264 -13.283 4.830 1.00 0.00 H new ATOM 103 N PRO A 9 -3.352 -11.371 5.380 1.00 0.00 N ATOM 104 CA PRO A 9 -2.350 -11.714 6.377 1.00 0.00 C ATOM 105 C PRO A 9 -1.753 -10.456 7.010 1.00 0.00 C ATOM 106 O PRO A 9 -2.358 -9.387 6.968 1.00 0.00 O ATOM 107 CB PRO A 9 -1.324 -12.551 5.630 1.00 0.00 C ATOM 108 CG PRO A 9 -1.540 -12.255 4.154 1.00 0.00 C ATOM 109 CD PRO A 9 -2.878 -11.550 4.010 1.00 0.00 C ATOM 0 HA PRO A 9 -2.764 -12.273 7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.311 -12.292 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.458 -13.612 5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.735 -11.629 3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.531 -13.178 3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.768 -10.593 3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.578 -12.145 3.423 1.00 0.00 H new ATOM 117 N SER A 10 -0.570 -10.625 7.582 1.00 0.00 N ATOM 118 CA SER A 10 0.118 -9.519 8.222 1.00 0.00 C ATOM 119 C SER A 10 1.630 -9.673 8.056 1.00 0.00 C ATOM 120 O SER A 10 2.263 -8.897 7.343 1.00 0.00 O ATOM 121 CB SER A 10 -0.246 -9.429 9.705 1.00 0.00 C ATOM 122 OG SER A 10 -0.557 -8.095 10.100 1.00 0.00 O ATOM 0 H SER A 10 -0.070 -11.514 7.615 1.00 0.00 H new ATOM 0 HA SER A 10 -0.200 -8.595 7.739 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.100 -10.075 9.908 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.585 -9.800 10.305 1.00 0.00 H new ATOM 0 HG SER A 10 -0.786 -8.081 11.053 1.00 0.00 H new ATOM 128 N SER A 11 2.166 -10.684 8.727 1.00 0.00 N ATOM 129 CA SER A 11 3.594 -10.951 8.660 1.00 0.00 C ATOM 130 C SER A 11 3.858 -12.173 7.779 1.00 0.00 C ATOM 131 O SER A 11 2.956 -12.974 7.537 1.00 0.00 O ATOM 132 CB SER A 11 4.176 -11.169 10.058 1.00 0.00 C ATOM 133 OG SER A 11 5.509 -11.677 10.006 1.00 0.00 O ATOM 0 H SER A 11 1.638 -11.326 9.318 1.00 0.00 H new ATOM 0 HA SER A 11 4.085 -10.083 8.220 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.168 -10.227 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.544 -11.864 10.610 1.00 0.00 H new ATOM 0 HG SER A 11 5.733 -12.096 10.863 1.00 0.00 H new ATOM 139 N GLY A 12 5.096 -12.276 7.322 1.00 0.00 N ATOM 140 CA GLY A 12 5.490 -13.386 6.472 1.00 0.00 C ATOM 141 C GLY A 12 5.201 -13.080 5.002 1.00 0.00 C ATOM 142 O GLY A 12 5.132 -13.991 4.175 1.00 0.00 O ATOM 0 H GLY A 12 5.840 -11.609 7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.553 -13.589 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.954 -14.286 6.772 1.00 0.00 H new ATOM 146 N LEU A 13 5.041 -11.795 4.717 1.00 0.00 N ATOM 147 CA LEU A 13 4.762 -11.358 3.361 1.00 0.00 C ATOM 148 C LEU A 13 6.081 -11.115 2.625 1.00 0.00 C ATOM 149 O LEU A 13 7.062 -10.678 3.227 1.00 0.00 O ATOM 150 CB LEU A 13 3.832 -10.144 3.371 1.00 0.00 C ATOM 151 CG LEU A 13 2.531 -10.301 4.158 1.00 0.00 C ATOM 152 CD1 LEU A 13 1.409 -9.464 3.539 1.00 0.00 C ATOM 153 CD2 LEU A 13 2.141 -11.775 4.284 1.00 0.00 C ATOM 0 H LEU A 13 5.100 -11.043 5.404 1.00 0.00 H new ATOM 0 HA LEU A 13 4.230 -12.135 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.380 -9.295 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.581 -9.895 2.340 1.00 0.00 H new ATOM 0 HG LEU A 13 2.696 -9.923 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.495 -9.595 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.695 -8.412 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.237 -9.788 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.212 -11.859 4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.002 -12.201 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.931 -12.317 4.803 1.00 0.00 H new ATOM 165 N SER A 14 6.064 -11.412 1.334 1.00 0.00 N ATOM 166 CA SER A 14 7.248 -11.232 0.509 1.00 0.00 C ATOM 167 C SER A 14 6.869 -10.554 -0.809 1.00 0.00 C ATOM 168 O SER A 14 5.693 -10.497 -1.168 1.00 0.00 O ATOM 169 CB SER A 14 7.939 -12.570 0.239 1.00 0.00 C ATOM 170 OG SER A 14 9.335 -12.411 0.004 1.00 0.00 O ATOM 0 H SER A 14 5.250 -11.776 0.839 1.00 0.00 H new ATOM 0 HA SER A 14 7.948 -10.595 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.788 -13.234 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.478 -13.048 -0.625 1.00 0.00 H new ATOM 0 HG SER A 14 9.741 -13.287 -0.163 1.00 0.00 H new ATOM 176 N ASP A 15 7.888 -10.056 -1.495 1.00 0.00 N ATOM 177 CA ASP A 15 7.677 -9.385 -2.766 1.00 0.00 C ATOM 178 C ASP A 15 7.016 -10.355 -3.749 1.00 0.00 C ATOM 179 O ASP A 15 7.704 -11.052 -4.494 1.00 0.00 O ATOM 180 CB ASP A 15 9.005 -8.925 -3.374 1.00 0.00 C ATOM 181 CG ASP A 15 9.976 -10.053 -3.732 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.384 -10.097 -4.911 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.288 -10.843 -2.816 1.00 0.00 O ATOM 0 H ASP A 15 8.861 -10.104 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 15 7.043 -8.517 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.795 -8.347 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.496 -8.252 -2.671 1.00 0.00 H new ATOM 189 N GLY A 16 5.692 -10.370 -3.716 1.00 0.00 N ATOM 190 CA GLY A 16 4.933 -11.243 -4.596 1.00 0.00 C ATOM 191 C GLY A 16 3.879 -12.028 -3.810 1.00 0.00 C ATOM 192 O GLY A 16 3.441 -13.091 -4.244 1.00 0.00 O ATOM 0 H GLY A 16 5.126 -9.793 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.448 -10.651 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.608 -11.935 -5.099 1.00 0.00 H new ATOM 196 N THR A 17 3.500 -11.469 -2.670 1.00 0.00 N ATOM 197 CA THR A 17 2.507 -12.104 -1.820 1.00 0.00 C ATOM 198 C THR A 17 1.099 -11.679 -2.241 1.00 0.00 C ATOM 199 O THR A 17 0.671 -10.560 -1.956 1.00 0.00 O ATOM 200 CB THR A 17 2.837 -11.756 -0.366 1.00 0.00 C ATOM 201 OG1 THR A 17 4.197 -12.151 -0.216 1.00 0.00 O ATOM 202 CG2 THR A 17 2.081 -12.639 0.630 1.00 0.00 C ATOM 0 H THR A 17 3.862 -10.584 -2.315 1.00 0.00 H new ATOM 0 HA THR A 17 2.532 -13.189 -1.923 1.00 0.00 H new ATOM 0 HB THR A 17 2.599 -10.709 -0.178 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.766 -11.587 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.349 -12.353 1.647 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.008 -12.511 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.347 -13.683 0.465 1.00 0.00 H new ATOM 210 N VAL A 18 0.415 -12.595 -2.914 1.00 0.00 N ATOM 211 CA VAL A 18 -0.936 -12.329 -3.376 1.00 0.00 C ATOM 212 C VAL A 18 -1.912 -12.492 -2.210 1.00 0.00 C ATOM 213 O VAL A 18 -1.946 -13.541 -1.567 1.00 0.00 O ATOM 214 CB VAL A 18 -1.268 -13.233 -4.565 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.550 -12.773 -5.262 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.100 -13.293 -5.551 1.00 0.00 C ATOM 0 H VAL A 18 0.772 -13.521 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.024 -11.302 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.437 -14.240 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.763 -13.432 -6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.380 -12.806 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.421 -11.753 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.362 -13.942 -6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.114 -12.291 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.782 -13.689 -5.047 1.00 0.00 H new ATOM 226 N VAL A 19 -2.682 -11.441 -1.973 1.00 0.00 N ATOM 227 CA VAL A 19 -3.656 -11.456 -0.894 1.00 0.00 C ATOM 228 C VAL A 19 -4.817 -10.523 -1.247 1.00 0.00 C ATOM 229 O VAL A 19 -4.735 -9.766 -2.215 1.00 0.00 O ATOM 230 CB VAL A 19 -2.979 -11.093 0.428 1.00 0.00 C ATOM 231 CG1 VAL A 19 -1.984 -12.176 0.850 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.295 -9.728 0.338 1.00 0.00 C ATOM 0 H VAL A 19 -2.652 -10.574 -2.509 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.070 -12.457 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.753 -11.031 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.517 -11.893 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.509 -13.123 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.217 -12.284 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.822 -9.495 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.539 -9.751 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.037 -8.964 0.105 1.00 0.00 H new ATOM 242 N LYS A 20 -5.867 -10.606 -0.446 1.00 0.00 N ATOM 243 CA LYS A 20 -7.041 -9.779 -0.662 1.00 0.00 C ATOM 244 C LYS A 20 -7.037 -8.623 0.341 1.00 0.00 C ATOM 245 O LYS A 20 -6.772 -8.826 1.525 1.00 0.00 O ATOM 246 CB LYS A 20 -8.312 -10.630 -0.616 1.00 0.00 C ATOM 247 CG LYS A 20 -8.786 -10.830 0.826 1.00 0.00 C ATOM 248 CD LYS A 20 -10.308 -10.961 0.889 1.00 0.00 C ATOM 249 CE LYS A 20 -10.739 -11.784 2.104 1.00 0.00 C ATOM 250 NZ LYS A 20 -11.508 -12.974 1.679 1.00 0.00 N ATOM 0 H LYS A 20 -5.930 -11.234 0.355 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.018 -9.337 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.098 -10.148 -1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.122 -11.599 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.323 -11.724 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.464 -9.988 1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.760 -9.970 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.674 -11.433 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.861 -12.095 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.346 -11.170 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.792 -13.521 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.356 -12.672 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.917 -13.567 1.063 1.00 0.00 H new ATOM 264 N VAL A 21 -7.336 -7.438 -0.169 1.00 0.00 N ATOM 265 CA VAL A 21 -7.370 -6.250 0.669 1.00 0.00 C ATOM 266 C VAL A 21 -8.821 -5.794 0.840 1.00 0.00 C ATOM 267 O VAL A 21 -9.402 -5.210 -0.072 1.00 0.00 O ATOM 268 CB VAL A 21 -6.469 -5.166 0.076 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.762 -3.802 0.706 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.992 -5.534 0.232 1.00 0.00 C ATOM 0 H VAL A 21 -7.557 -7.274 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.979 -6.471 1.662 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.687 -5.097 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.107 -3.050 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.801 -3.531 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.586 -3.852 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.373 -4.746 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.754 -5.645 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.794 -6.473 -0.285 1.00 0.00 H new ATOM 280 N ALA A 22 -9.362 -6.077 2.015 1.00 0.00 N ATOM 281 CA ALA A 22 -10.733 -5.704 2.318 1.00 0.00 C ATOM 282 C ALA A 22 -10.751 -4.303 2.931 1.00 0.00 C ATOM 283 O ALA A 22 -10.049 -4.039 3.908 1.00 0.00 O ATOM 284 CB ALA A 22 -11.357 -6.753 3.240 1.00 0.00 C ATOM 0 H ALA A 22 -8.875 -6.561 2.770 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.333 -5.674 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.386 -6.472 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.347 -7.724 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.784 -6.811 4.166 1.00 0.00 H new ATOM 290 N GLY A 23 -11.562 -3.440 2.336 1.00 0.00 N ATOM 291 CA GLY A 23 -11.679 -2.073 2.812 1.00 0.00 C ATOM 292 C GLY A 23 -13.084 -1.802 3.357 1.00 0.00 C ATOM 293 O GLY A 23 -13.933 -1.260 2.648 1.00 0.00 O ATOM 0 H GLY A 23 -12.144 -3.662 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.941 -1.891 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.460 -1.381 1.999 1.00 0.00 H new ATOM 297 N ALA A 24 -13.287 -2.190 4.606 1.00 0.00 N ATOM 298 CA ALA A 24 -14.572 -1.996 5.253 1.00 0.00 C ATOM 299 C ALA A 24 -14.634 -0.584 5.841 1.00 0.00 C ATOM 300 O ALA A 24 -13.698 -0.145 6.508 1.00 0.00 O ATOM 301 CB ALA A 24 -14.782 -3.080 6.313 1.00 0.00 C ATOM 0 H ALA A 24 -12.581 -2.639 5.189 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.383 -2.088 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.747 -2.933 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.760 -4.061 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.989 -3.019 7.058 1.00 0.00 H new ATOM 307 N GLY A 25 -15.746 0.084 5.576 1.00 0.00 N ATOM 308 CA GLY A 25 -15.942 1.438 6.071 1.00 0.00 C ATOM 309 C GLY A 25 -14.953 2.407 5.423 1.00 0.00 C ATOM 310 O GLY A 25 -14.778 3.530 5.896 1.00 0.00 O ATOM 0 H GLY A 25 -16.521 -0.285 5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.962 1.761 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.817 1.455 7.154 1.00 0.00 H new ATOM 314 N LEU A 26 -14.331 1.940 4.350 1.00 0.00 N ATOM 315 CA LEU A 26 -13.364 2.754 3.633 1.00 0.00 C ATOM 316 C LEU A 26 -14.101 3.681 2.665 1.00 0.00 C ATOM 317 O LEU A 26 -15.175 4.189 2.984 1.00 0.00 O ATOM 318 CB LEU A 26 -12.316 1.867 2.957 1.00 0.00 C ATOM 319 CG LEU A 26 -10.876 2.385 2.990 1.00 0.00 C ATOM 320 CD1 LEU A 26 -9.982 1.578 2.047 1.00 0.00 C ATOM 321 CD2 LEU A 26 -10.826 3.883 2.688 1.00 0.00 C ATOM 0 H LEU A 26 -14.478 1.009 3.960 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.813 3.390 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.339 0.886 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.606 1.725 1.916 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.485 2.248 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.964 1.966 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.984 0.531 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.360 1.661 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.792 4.226 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.241 4.069 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.409 4.424 3.433 1.00 0.00 H new ATOM 333 N GLN A 27 -13.495 3.874 1.503 1.00 0.00 N ATOM 334 CA GLN A 27 -14.082 4.731 0.486 1.00 0.00 C ATOM 335 C GLN A 27 -15.561 4.394 0.297 1.00 0.00 C ATOM 336 O GLN A 27 -15.907 3.543 -0.522 1.00 0.00 O ATOM 337 CB GLN A 27 -13.320 4.617 -0.836 1.00 0.00 C ATOM 338 CG GLN A 27 -11.897 5.162 -0.696 1.00 0.00 C ATOM 339 CD GLN A 27 -11.834 6.270 0.358 1.00 0.00 C ATOM 340 OE1 GLN A 27 -11.231 6.131 1.409 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.492 7.375 0.020 1.00 0.00 N ATOM 0 H GLN A 27 -12.604 3.452 1.243 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.005 5.765 0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.285 3.574 -1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.849 5.167 -1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.220 4.354 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.556 5.549 -1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.977 7.426 -0.876 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.512 8.172 0.657 1.00 0.00 H new ATOM 350 N ALA A 28 -16.395 5.079 1.065 1.00 0.00 N ATOM 351 CA ALA A 28 -17.831 4.863 0.992 1.00 0.00 C ATOM 352 C ALA A 28 -18.314 5.161 -0.430 1.00 0.00 C ATOM 353 O ALA A 28 -18.684 6.294 -0.737 1.00 0.00 O ATOM 354 CB ALA A 28 -18.531 5.728 2.041 1.00 0.00 C ATOM 0 H ALA A 28 -16.104 5.785 1.742 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.076 3.824 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.608 5.566 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.173 5.456 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.312 6.779 1.851 1.00 0.00 H new ATOM 360 N GLY A 29 -18.297 4.126 -1.255 1.00 0.00 N ATOM 361 CA GLY A 29 -18.730 4.263 -2.635 1.00 0.00 C ATOM 362 C GLY A 29 -17.730 5.094 -3.444 1.00 0.00 C ATOM 363 O GLY A 29 -17.994 5.445 -4.591 1.00 0.00 O ATOM 0 H GLY A 29 -17.990 3.189 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.837 3.276 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.711 4.736 -2.667 1.00 0.00 H new ATOM 367 N THR A 30 -16.602 5.383 -2.811 1.00 0.00 N ATOM 368 CA THR A 30 -15.561 6.166 -3.457 1.00 0.00 C ATOM 369 C THR A 30 -14.585 5.249 -4.197 1.00 0.00 C ATOM 370 O THR A 30 -14.718 4.027 -4.146 1.00 0.00 O ATOM 371 CB THR A 30 -14.891 7.033 -2.389 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.452 6.570 -1.165 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.323 8.499 -2.468 1.00 0.00 C ATOM 0 H THR A 30 -16.386 5.089 -1.858 1.00 0.00 H new ATOM 0 HA THR A 30 -15.977 6.826 -4.218 1.00 0.00 H new ATOM 0 HB THR A 30 -13.808 6.969 -2.496 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.197 7.176 -0.438 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.818 9.070 -1.688 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.057 8.905 -3.444 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.402 8.568 -2.328 1.00 0.00 H new ATOM 381 N ALA A 31 -13.628 5.873 -4.867 1.00 0.00 N ATOM 382 CA ALA A 31 -12.630 5.127 -5.616 1.00 0.00 C ATOM 383 C ALA A 31 -11.272 5.817 -5.471 1.00 0.00 C ATOM 384 O ALA A 31 -11.088 6.936 -5.948 1.00 0.00 O ATOM 385 CB ALA A 31 -13.073 5.008 -7.075 1.00 0.00 C ATOM 0 H ALA A 31 -13.522 6.887 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.529 4.115 -5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.326 4.449 -7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.029 4.486 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.181 6.004 -7.505 1.00 0.00 H new ATOM 391 N TYR A 32 -10.357 5.120 -4.815 1.00 0.00 N ATOM 392 CA TYR A 32 -9.021 5.650 -4.604 1.00 0.00 C ATOM 393 C TYR A 32 -7.972 4.792 -5.312 1.00 0.00 C ATOM 394 O TYR A 32 -8.313 3.915 -6.105 1.00 0.00 O ATOM 395 CB TYR A 32 -8.778 5.590 -3.093 1.00 0.00 C ATOM 396 CG TYR A 32 -9.381 6.766 -2.320 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.209 7.663 -2.963 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.097 6.925 -0.979 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.775 8.768 -2.235 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.665 8.030 -0.251 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.477 8.897 -0.914 1.00 0.00 C ATOM 402 OH TYR A 32 -11.011 9.940 -0.225 1.00 0.00 O ATOM 0 H TYR A 32 -10.514 4.192 -4.422 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.942 6.662 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.195 4.661 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.704 5.559 -2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.432 7.536 -4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.450 6.222 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.422 9.479 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.451 8.167 0.799 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.349 10.286 0.410 1.00 0.00 H new ATOM 412 N ASP A 33 -6.716 5.072 -4.999 1.00 0.00 N ATOM 413 CA ASP A 33 -5.613 4.336 -5.596 1.00 0.00 C ATOM 414 C ASP A 33 -5.000 3.406 -4.548 1.00 0.00 C ATOM 415 O ASP A 33 -4.377 3.867 -3.592 1.00 0.00 O ATOM 416 CB ASP A 33 -4.517 5.285 -6.085 1.00 0.00 C ATOM 417 CG ASP A 33 -4.048 5.049 -7.522 1.00 0.00 C ATOM 418 OD1 ASP A 33 -4.837 5.371 -8.435 1.00 0.00 O ATOM 419 OD2 ASP A 33 -2.914 4.547 -7.672 1.00 0.00 O ATOM 0 H ASP A 33 -6.437 5.798 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.004 3.771 -6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.881 6.309 -6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.658 5.197 -5.420 1.00 0.00 H new ATOM 425 N VAL A 34 -5.197 2.114 -4.761 1.00 0.00 N ATOM 426 CA VAL A 34 -4.672 1.114 -3.847 1.00 0.00 C ATOM 427 C VAL A 34 -3.177 0.929 -4.106 1.00 0.00 C ATOM 428 O VAL A 34 -2.738 0.911 -5.256 1.00 0.00 O ATOM 429 CB VAL A 34 -5.467 -0.186 -3.980 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.556 -1.345 -4.388 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.215 -0.506 -2.685 1.00 0.00 C ATOM 0 H VAL A 34 -5.714 1.736 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.785 1.444 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.207 -0.048 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.145 -2.258 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.089 -1.121 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.783 -1.484 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.772 -1.435 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.500 -0.616 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.907 0.304 -2.455 1.00 0.00 H new ATOM 441 N GLY A 35 -2.432 0.797 -3.018 1.00 0.00 N ATOM 442 CA GLY A 35 -0.992 0.613 -3.113 1.00 0.00 C ATOM 443 C GLY A 35 -0.336 0.717 -1.735 1.00 0.00 C ATOM 444 O GLY A 35 -0.912 1.283 -0.809 1.00 0.00 O ATOM 0 H GLY A 35 -2.798 0.814 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.774 -0.361 -3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.569 1.364 -3.779 1.00 0.00 H new ATOM 448 N GLN A 36 0.863 0.160 -1.645 1.00 0.00 N ATOM 449 CA GLN A 36 1.606 0.181 -0.395 1.00 0.00 C ATOM 450 C GLN A 36 2.573 1.367 -0.373 1.00 0.00 C ATOM 451 O GLN A 36 3.630 1.321 -1.000 1.00 0.00 O ATOM 452 CB GLN A 36 2.350 -1.137 -0.175 1.00 0.00 C ATOM 453 CG GLN A 36 3.454 -1.324 -1.220 1.00 0.00 C ATOM 454 CD GLN A 36 3.286 -2.651 -1.963 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.510 -3.512 -1.583 1.00 0.00 O ATOM 456 NE2 GLN A 36 4.054 -2.765 -3.044 1.00 0.00 N ATOM 0 H GLN A 36 1.339 -0.308 -2.416 1.00 0.00 H new ATOM 0 HA GLN A 36 0.897 0.299 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.784 -1.151 0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.648 -1.969 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.430 -0.499 -1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.429 -1.296 -0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.682 -2.005 -3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.014 -3.612 -3.611 1.00 0.00 H new ATOM 465 N CYS A 37 2.174 2.402 0.353 1.00 0.00 N ATOM 466 CA CYS A 37 2.993 3.597 0.463 1.00 0.00 C ATOM 467 C CYS A 37 3.624 3.620 1.857 1.00 0.00 C ATOM 468 O CYS A 37 3.032 3.128 2.818 1.00 0.00 O ATOM 469 CB CYS A 37 2.181 4.865 0.183 1.00 0.00 C ATOM 470 SG CYS A 37 3.127 6.221 -0.601 1.00 0.00 S ATOM 0 H CYS A 37 1.295 2.437 0.870 1.00 0.00 H new ATOM 0 HA CYS A 37 3.780 3.573 -0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.340 4.607 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.763 5.227 1.122 1.00 0.00 H new ATOM 475 N ALA A 38 4.816 4.194 1.922 1.00 0.00 N ATOM 476 CA ALA A 38 5.532 4.287 3.182 1.00 0.00 C ATOM 477 C ALA A 38 6.870 4.994 2.953 1.00 0.00 C ATOM 478 O ALA A 38 7.295 5.171 1.811 1.00 0.00 O ATOM 479 CB ALA A 38 5.708 2.888 3.775 1.00 0.00 C ATOM 0 H ALA A 38 5.304 4.599 1.123 1.00 0.00 H new ATOM 0 HA ALA A 38 4.965 4.878 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.245 2.959 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.729 2.440 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.275 2.267 3.081 1.00 0.00 H new ATOM 485 N TRP A 39 7.498 5.378 4.054 1.00 0.00 N ATOM 486 CA TRP A 39 8.780 6.060 3.986 1.00 0.00 C ATOM 487 C TRP A 39 9.857 5.016 3.690 1.00 0.00 C ATOM 488 O TRP A 39 10.092 4.117 4.496 1.00 0.00 O ATOM 489 CB TRP A 39 9.047 6.851 5.269 1.00 0.00 C ATOM 490 CG TRP A 39 9.194 5.980 6.518 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.223 5.419 7.252 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.430 5.589 7.153 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.740 4.698 8.309 1.00 0.00 N ATOM 494 CE2 TRP A 39 10.124 4.805 8.248 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.761 5.885 6.814 1.00 0.00 C ATOM 496 CZ2 TRP A 39 11.095 4.254 9.091 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.720 5.327 7.666 1.00 0.00 C ATOM 498 CH2 TRP A 39 12.429 4.538 8.773 1.00 0.00 C ATOM 0 H TRP A 39 7.143 5.230 4.999 1.00 0.00 H new ATOM 0 HA TRP A 39 8.784 6.797 3.183 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.956 7.438 5.139 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.231 7.557 5.425 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.168 5.519 7.043 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.205 4.181 9.007 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.023 6.495 5.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.830 3.643 9.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.760 5.523 7.448 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.228 4.146 9.385 1.00 0.00 H new ATOM 509 N VAL A 40 10.484 5.170 2.535 1.00 0.00 N ATOM 510 CA VAL A 40 11.533 4.252 2.123 1.00 0.00 C ATOM 511 C VAL A 40 12.891 4.935 2.274 1.00 0.00 C ATOM 512 O VAL A 40 13.842 4.330 2.769 1.00 0.00 O ATOM 513 CB VAL A 40 11.266 3.758 0.699 1.00 0.00 C ATOM 514 CG1 VAL A 40 12.039 4.594 -0.324 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.605 2.273 0.560 1.00 0.00 C ATOM 0 H VAL A 40 10.286 5.917 1.870 1.00 0.00 H new ATOM 0 HA VAL A 40 11.541 3.370 2.763 1.00 0.00 H new ATOM 0 HB VAL A 40 10.202 3.878 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.832 4.223 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.728 5.636 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.108 4.519 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.406 1.948 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.659 2.117 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.992 1.694 1.251 1.00 0.00 H new ATOM 525 N ASP A 41 12.942 6.186 1.839 1.00 0.00 N ATOM 526 CA ASP A 41 14.170 6.957 1.922 1.00 0.00 C ATOM 527 C ASP A 41 14.296 7.561 3.321 1.00 0.00 C ATOM 528 O ASP A 41 13.619 7.126 4.252 1.00 0.00 O ATOM 529 CB ASP A 41 14.169 8.106 0.910 1.00 0.00 C ATOM 530 CG ASP A 41 15.437 8.225 0.064 1.00 0.00 C ATOM 531 OD1 ASP A 41 16.498 7.803 0.571 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.317 8.735 -1.071 1.00 0.00 O ATOM 0 H ASP A 41 12.152 6.684 1.428 1.00 0.00 H new ATOM 0 HA ASP A 41 15.003 6.287 1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.316 7.982 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.020 9.043 1.447 1.00 0.00 H new ATOM 538 N THR A 42 15.165 8.556 3.427 1.00 0.00 N ATOM 539 CA THR A 42 15.388 9.224 4.699 1.00 0.00 C ATOM 540 C THR A 42 14.123 9.959 5.143 1.00 0.00 C ATOM 541 O THR A 42 14.008 11.171 4.962 1.00 0.00 O ATOM 542 CB THR A 42 16.602 10.143 4.543 1.00 0.00 C ATOM 543 OG1 THR A 42 17.719 9.262 4.646 1.00 0.00 O ATOM 544 CG2 THR A 42 16.769 11.097 5.726 1.00 0.00 C ATOM 0 H THR A 42 15.723 8.916 2.653 1.00 0.00 H new ATOM 0 HA THR A 42 15.604 8.507 5.491 1.00 0.00 H new ATOM 0 HB THR A 42 16.506 10.720 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.549 9.774 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.644 11.726 5.565 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.882 11.725 5.815 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.900 10.521 6.642 1.00 0.00 H new ATOM 552 N GLY A 43 13.204 9.195 5.716 1.00 0.00 N ATOM 553 CA GLY A 43 11.952 9.760 6.188 1.00 0.00 C ATOM 554 C GLY A 43 11.128 10.321 5.025 1.00 0.00 C ATOM 555 O GLY A 43 10.275 11.183 5.223 1.00 0.00 O ATOM 0 H GLY A 43 13.302 8.191 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.377 8.994 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.155 10.552 6.909 1.00 0.00 H new ATOM 559 N VAL A 44 11.417 9.809 3.837 1.00 0.00 N ATOM 560 CA VAL A 44 10.715 10.247 2.643 1.00 0.00 C ATOM 561 C VAL A 44 9.634 9.226 2.288 1.00 0.00 C ATOM 562 O VAL A 44 9.939 8.086 1.947 1.00 0.00 O ATOM 563 CB VAL A 44 11.714 10.481 1.507 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.019 11.075 0.281 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.871 11.372 1.965 1.00 0.00 C ATOM 0 H VAL A 44 12.128 9.095 3.676 1.00 0.00 H new ATOM 0 HA VAL A 44 10.215 11.199 2.821 1.00 0.00 H new ATOM 0 HB VAL A 44 12.129 9.514 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.751 11.232 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.247 10.389 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.563 12.029 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.565 11.521 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.481 12.337 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.392 10.894 2.794 1.00 0.00 H new ATOM 575 N LEU A 45 8.391 9.675 2.383 1.00 0.00 N ATOM 576 CA LEU A 45 7.260 8.815 2.077 1.00 0.00 C ATOM 577 C LEU A 45 7.270 8.480 0.584 1.00 0.00 C ATOM 578 O LEU A 45 6.864 9.296 -0.241 1.00 0.00 O ATOM 579 CB LEU A 45 5.954 9.454 2.555 1.00 0.00 C ATOM 580 CG LEU A 45 4.716 8.557 2.519 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.707 8.974 3.591 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.093 8.540 1.121 1.00 0.00 C ATOM 0 H LEU A 45 8.142 10.622 2.667 1.00 0.00 H new ATOM 0 HA LEU A 45 7.342 7.872 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.096 9.802 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.758 10.334 1.943 1.00 0.00 H new ATOM 0 HG LEU A 45 5.025 7.537 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.836 8.321 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.168 8.894 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.397 10.005 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.214 7.895 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.800 9.552 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.820 8.161 0.403 1.00 0.00 H new ATOM 594 N ALA A 46 7.737 7.277 0.283 1.00 0.00 N ATOM 595 CA ALA A 46 7.805 6.824 -1.095 1.00 0.00 C ATOM 596 C ALA A 46 6.812 5.678 -1.301 1.00 0.00 C ATOM 597 O ALA A 46 6.667 4.814 -0.437 1.00 0.00 O ATOM 598 CB ALA A 46 9.242 6.415 -1.429 1.00 0.00 C ATOM 0 H ALA A 46 8.072 6.602 0.971 1.00 0.00 H new ATOM 0 HA ALA A 46 7.527 7.628 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.292 6.075 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.904 7.270 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.554 5.608 -0.766 1.00 0.00 H new ATOM 604 N CYS A 47 6.151 5.710 -2.449 1.00 0.00 N ATOM 605 CA CYS A 47 5.175 4.686 -2.780 1.00 0.00 C ATOM 606 C CYS A 47 5.844 3.660 -3.695 1.00 0.00 C ATOM 607 O CYS A 47 6.832 3.968 -4.359 1.00 0.00 O ATOM 608 CB CYS A 47 3.920 5.285 -3.416 1.00 0.00 C ATOM 609 SG CYS A 47 3.130 6.621 -2.447 1.00 0.00 S ATOM 0 H CYS A 47 6.272 6.429 -3.162 1.00 0.00 H new ATOM 0 HA CYS A 47 4.840 4.192 -1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.179 5.674 -4.400 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.192 4.488 -3.570 1.00 0.00 H new ATOM 614 N ASN A 48 5.281 2.463 -3.703 1.00 0.00 N ATOM 615 CA ASN A 48 5.812 1.389 -4.526 1.00 0.00 C ATOM 616 C ASN A 48 5.270 1.531 -5.950 1.00 0.00 C ATOM 617 O ASN A 48 4.317 2.273 -6.186 1.00 0.00 O ATOM 618 CB ASN A 48 5.383 0.020 -3.992 1.00 0.00 C ATOM 619 CG ASN A 48 6.335 -0.462 -2.897 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.615 -1.642 -2.755 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.817 0.512 -2.130 1.00 0.00 N ATOM 0 H ASN A 48 4.460 2.211 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 48 6.900 1.457 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.369 0.081 -3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.364 -0.703 -4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.461 0.292 -1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.543 1.479 -2.302 1.00 0.00 H new ATOM 628 N PRO A 49 5.918 0.788 -6.887 1.00 0.00 N ATOM 629 CA PRO A 49 5.513 0.824 -8.283 1.00 0.00 C ATOM 630 C PRO A 49 4.220 0.032 -8.497 1.00 0.00 C ATOM 631 O PRO A 49 3.519 0.238 -9.487 1.00 0.00 O ATOM 632 CB PRO A 49 6.693 0.253 -9.051 1.00 0.00 C ATOM 633 CG PRO A 49 7.525 -0.506 -8.031 1.00 0.00 C ATOM 634 CD PRO A 49 7.049 -0.102 -6.645 1.00 0.00 C ATOM 0 HA PRO A 49 5.282 1.832 -8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.356 -0.408 -9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.276 1.047 -9.518 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.415 -1.581 -8.174 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.583 -0.274 -8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.750 -0.972 -6.060 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.838 0.403 -6.087 1.00 0.00 H new ATOM 642 N ALA A 50 3.946 -0.860 -7.557 1.00 0.00 N ATOM 643 CA ALA A 50 2.752 -1.682 -7.630 1.00 0.00 C ATOM 644 C ALA A 50 1.687 -1.116 -6.690 1.00 0.00 C ATOM 645 O ALA A 50 0.692 -1.779 -6.402 1.00 0.00 O ATOM 646 CB ALA A 50 3.109 -3.134 -7.300 1.00 0.00 C ATOM 0 H ALA A 50 4.532 -1.031 -6.740 1.00 0.00 H new ATOM 0 HA ALA A 50 2.340 -1.669 -8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.212 -3.751 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.845 -3.499 -8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.524 -3.187 -6.294 1.00 0.00 H new ATOM 652 N ASP A 51 1.933 0.105 -6.236 1.00 0.00 N ATOM 653 CA ASP A 51 1.008 0.768 -5.334 1.00 0.00 C ATOM 654 C ASP A 51 -0.027 1.543 -6.149 1.00 0.00 C ATOM 655 O ASP A 51 -0.839 2.279 -5.592 1.00 0.00 O ATOM 656 CB ASP A 51 1.739 1.763 -4.430 1.00 0.00 C ATOM 657 CG ASP A 51 1.042 3.113 -4.258 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.502 3.337 -3.153 1.00 0.00 O ATOM 659 OD2 ASP A 51 1.064 3.891 -5.235 1.00 0.00 O ATOM 0 H ASP A 51 2.760 0.652 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 51 0.531 0.004 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.869 1.310 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.736 1.935 -4.836 1.00 0.00 H new ATOM 665 N PHE A 52 0.034 1.351 -7.459 1.00 0.00 N ATOM 666 CA PHE A 52 -0.887 2.024 -8.360 1.00 0.00 C ATOM 667 C PHE A 52 -1.930 1.046 -8.904 1.00 0.00 C ATOM 668 O PHE A 52 -1.762 0.497 -9.993 1.00 0.00 O ATOM 669 CB PHE A 52 -0.059 2.570 -9.522 1.00 0.00 C ATOM 670 CG PHE A 52 1.340 3.045 -9.122 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.509 3.785 -7.995 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.413 2.728 -9.894 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.808 4.226 -7.622 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.711 3.170 -9.522 1.00 0.00 C ATOM 675 CZ PHE A 52 3.881 3.908 -8.394 1.00 0.00 C ATOM 0 H PHE A 52 0.708 0.738 -7.918 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.413 2.818 -7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.036 1.795 -10.283 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.597 3.401 -9.979 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.656 4.038 -7.382 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.279 2.140 -10.790 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.942 4.813 -6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.563 2.919 -10.136 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.868 4.242 -8.111 1.00 0.00 H new ATOM 685 N SER A 53 -2.985 0.861 -8.126 1.00 0.00 N ATOM 686 CA SER A 53 -4.055 -0.040 -8.518 1.00 0.00 C ATOM 687 C SER A 53 -5.403 0.513 -8.048 1.00 0.00 C ATOM 688 O SER A 53 -5.869 0.178 -6.960 1.00 0.00 O ATOM 689 CB SER A 53 -3.830 -1.443 -7.952 1.00 0.00 C ATOM 690 OG SER A 53 -5.059 -2.122 -7.699 1.00 0.00 O ATOM 0 H SER A 53 -3.122 1.320 -7.225 1.00 0.00 H new ATOM 0 HA SER A 53 -4.059 -0.114 -9.606 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.232 -2.025 -8.653 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.258 -1.373 -7.027 1.00 0.00 H new ATOM 0 HG SER A 53 -5.595 -1.603 -7.063 1.00 0.00 H new ATOM 696 N SER A 54 -5.991 1.347 -8.891 1.00 0.00 N ATOM 697 CA SER A 54 -7.276 1.950 -8.574 1.00 0.00 C ATOM 698 C SER A 54 -8.139 0.958 -7.795 1.00 0.00 C ATOM 699 O SER A 54 -8.032 -0.253 -7.988 1.00 0.00 O ATOM 700 CB SER A 54 -7.999 2.400 -9.844 1.00 0.00 C ATOM 701 OG SER A 54 -8.501 1.297 -10.593 1.00 0.00 O ATOM 0 H SER A 54 -5.603 1.620 -9.794 1.00 0.00 H new ATOM 0 HA SER A 54 -7.100 2.831 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.823 3.061 -9.577 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.315 2.978 -10.465 1.00 0.00 H new ATOM 0 HG SER A 54 -8.957 1.627 -11.395 1.00 0.00 H new ATOM 707 N VAL A 55 -8.980 1.507 -6.929 1.00 0.00 N ATOM 708 CA VAL A 55 -9.863 0.684 -6.118 1.00 0.00 C ATOM 709 C VAL A 55 -11.112 1.490 -5.756 1.00 0.00 C ATOM 710 O VAL A 55 -11.085 2.721 -5.759 1.00 0.00 O ATOM 711 CB VAL A 55 -9.111 0.163 -4.892 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.902 1.276 -3.860 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.840 -1.030 -4.269 1.00 0.00 C ATOM 0 H VAL A 55 -9.068 2.511 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.192 -0.192 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.129 -0.177 -5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.365 0.878 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.322 2.083 -4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.870 1.660 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.285 -1.382 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.841 -0.725 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.914 -1.834 -5.001 1.00 0.00 H new ATOM 723 N THR A 56 -12.178 0.765 -5.453 1.00 0.00 N ATOM 724 CA THR A 56 -13.435 1.397 -5.088 1.00 0.00 C ATOM 725 C THR A 56 -14.180 0.545 -4.058 1.00 0.00 C ATOM 726 O THR A 56 -14.278 -0.670 -4.207 1.00 0.00 O ATOM 727 CB THR A 56 -14.233 1.635 -6.371 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.531 3.026 -6.342 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.605 0.958 -6.342 1.00 0.00 C ATOM 0 H THR A 56 -12.198 -0.255 -5.453 1.00 0.00 H new ATOM 0 HA THR A 56 -13.269 2.361 -4.607 1.00 0.00 H new ATOM 0 HB THR A 56 -13.665 1.266 -7.225 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.983 3.246 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.130 1.159 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.477 -0.118 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.187 1.350 -5.508 1.00 0.00 H new ATOM 737 N ALA A 57 -14.688 1.219 -3.038 1.00 0.00 N ATOM 738 CA ALA A 57 -15.420 0.543 -1.982 1.00 0.00 C ATOM 739 C ALA A 57 -16.923 0.708 -2.224 1.00 0.00 C ATOM 740 O ALA A 57 -17.391 1.811 -2.509 1.00 0.00 O ATOM 741 CB ALA A 57 -14.984 1.089 -0.622 1.00 0.00 C ATOM 0 H ALA A 57 -14.607 2.229 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.199 -0.524 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.535 0.580 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.916 0.919 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.190 2.158 -0.576 1.00 0.00 H new ATOM 747 N ASP A 58 -17.637 -0.400 -2.100 1.00 0.00 N ATOM 748 CA ASP A 58 -19.077 -0.390 -2.300 1.00 0.00 C ATOM 749 C ASP A 58 -19.699 0.709 -1.438 1.00 0.00 C ATOM 750 O ASP A 58 -19.092 1.160 -0.466 1.00 0.00 O ATOM 751 CB ASP A 58 -19.699 -1.726 -1.887 1.00 0.00 C ATOM 752 CG ASP A 58 -18.809 -2.951 -2.108 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.144 -4.005 -1.529 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.814 -2.802 -2.848 1.00 0.00 O ATOM 0 H ASP A 58 -17.246 -1.312 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.270 -0.215 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.965 -1.675 -0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.626 -1.865 -2.443 1.00 0.00 H new ATOM 760 N ALA A 59 -20.902 1.110 -1.821 1.00 0.00 N ATOM 761 CA ALA A 59 -21.615 2.147 -1.096 1.00 0.00 C ATOM 762 C ALA A 59 -21.444 1.920 0.407 1.00 0.00 C ATOM 763 O ALA A 59 -21.474 2.870 1.190 1.00 0.00 O ATOM 764 CB ALA A 59 -23.084 2.151 -1.522 1.00 0.00 C ATOM 0 H ALA A 59 -21.402 0.734 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.206 3.130 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.619 2.929 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.152 2.345 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.530 1.181 -1.300 1.00 0.00 H new ATOM 770 N ASN A 60 -21.268 0.657 0.768 1.00 0.00 N ATOM 771 CA ASN A 60 -21.093 0.293 2.162 1.00 0.00 C ATOM 772 C ASN A 60 -19.607 0.360 2.520 1.00 0.00 C ATOM 773 O ASN A 60 -19.128 -0.412 3.350 1.00 0.00 O ATOM 774 CB ASN A 60 -21.578 -1.135 2.425 1.00 0.00 C ATOM 775 CG ASN A 60 -21.934 -1.331 3.900 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.367 -0.420 4.587 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.726 -2.564 4.348 1.00 0.00 N ATOM 0 H ASN A 60 -21.243 -0.128 0.117 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.675 0.989 2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.450 -1.346 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.803 -1.845 2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.931 -2.795 5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.361 -3.280 3.720 1.00 0.00 H new ATOM 784 N GLY A 61 -18.918 1.289 1.874 1.00 0.00 N ATOM 785 CA GLY A 61 -17.496 1.468 2.115 1.00 0.00 C ATOM 786 C GLY A 61 -16.778 0.118 2.176 1.00 0.00 C ATOM 787 O GLY A 61 -15.969 -0.118 3.074 1.00 0.00 O ATOM 0 H GLY A 61 -19.318 1.926 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.063 2.079 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.347 2.006 3.051 1.00 0.00 H new ATOM 791 N SER A 62 -17.095 -0.731 1.209 1.00 0.00 N ATOM 792 CA SER A 62 -16.490 -2.049 1.144 1.00 0.00 C ATOM 793 C SER A 62 -15.621 -2.165 -0.110 1.00 0.00 C ATOM 794 O SER A 62 -16.130 -2.423 -1.200 1.00 0.00 O ATOM 795 CB SER A 62 -17.556 -3.147 1.153 1.00 0.00 C ATOM 796 OG SER A 62 -18.633 -2.838 2.036 1.00 0.00 O ATOM 0 H SER A 62 -17.763 -0.531 0.465 1.00 0.00 H new ATOM 0 HA SER A 62 -15.864 -2.181 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.943 -3.285 0.143 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.101 -4.091 1.452 1.00 0.00 H new ATOM 0 HG SER A 62 -18.472 -1.968 2.456 1.00 0.00 H new ATOM 802 N ALA A 63 -14.325 -1.968 0.085 1.00 0.00 N ATOM 803 CA ALA A 63 -13.382 -2.047 -1.018 1.00 0.00 C ATOM 804 C ALA A 63 -12.564 -3.333 -0.892 1.00 0.00 C ATOM 805 O ALA A 63 -11.459 -3.321 -0.350 1.00 0.00 O ATOM 806 CB ALA A 63 -12.502 -0.794 -1.025 1.00 0.00 C ATOM 0 H ALA A 63 -13.906 -1.754 0.990 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.907 -2.083 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.794 -0.851 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.128 0.090 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.956 -0.727 -0.084 1.00 0.00 H new ATOM 812 N SER A 64 -13.140 -4.414 -1.400 1.00 0.00 N ATOM 813 CA SER A 64 -12.476 -5.706 -1.351 1.00 0.00 C ATOM 814 C SER A 64 -11.691 -5.940 -2.643 1.00 0.00 C ATOM 815 O SER A 64 -12.165 -6.625 -3.547 1.00 0.00 O ATOM 816 CB SER A 64 -13.485 -6.834 -1.133 1.00 0.00 C ATOM 817 OG SER A 64 -14.580 -6.756 -2.042 1.00 0.00 O ATOM 0 H SER A 64 -14.057 -4.421 -1.846 1.00 0.00 H new ATOM 0 HA SER A 64 -11.785 -5.704 -0.508 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.985 -7.795 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.860 -6.792 -0.110 1.00 0.00 H new ATOM 0 HG SER A 64 -14.240 -6.675 -2.958 1.00 0.00 H new ATOM 823 N THR A 65 -10.503 -5.357 -2.690 1.00 0.00 N ATOM 824 CA THR A 65 -9.645 -5.493 -3.855 1.00 0.00 C ATOM 825 C THR A 65 -8.445 -6.387 -3.534 1.00 0.00 C ATOM 826 O THR A 65 -7.827 -6.246 -2.482 1.00 0.00 O ATOM 827 CB THR A 65 -9.251 -4.089 -4.320 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.922 -4.259 -5.695 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.948 -3.605 -3.680 1.00 0.00 C ATOM 0 H THR A 65 -10.113 -4.788 -1.939 1.00 0.00 H new ATOM 0 HA THR A 65 -10.167 -5.987 -4.674 1.00 0.00 H new ATOM 0 HB THR A 65 -10.053 -3.389 -4.083 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.656 -3.396 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.714 -2.604 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.062 -3.580 -2.596 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.138 -4.285 -3.944 1.00 0.00 H new ATOM 837 N SER A 66 -8.154 -7.285 -4.462 1.00 0.00 N ATOM 838 CA SER A 66 -7.039 -8.201 -4.292 1.00 0.00 C ATOM 839 C SER A 66 -5.814 -7.681 -5.045 1.00 0.00 C ATOM 840 O SER A 66 -5.930 -7.207 -6.175 1.00 0.00 O ATOM 841 CB SER A 66 -7.402 -9.607 -4.776 1.00 0.00 C ATOM 842 OG SER A 66 -7.445 -9.687 -6.198 1.00 0.00 O ATOM 0 H SER A 66 -8.670 -7.398 -5.334 1.00 0.00 H new ATOM 0 HA SER A 66 -6.805 -8.261 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.673 -10.321 -4.395 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.371 -9.892 -4.367 1.00 0.00 H new ATOM 0 HG SER A 66 -7.678 -10.600 -6.467 1.00 0.00 H new ATOM 848 N LEU A 67 -4.666 -7.787 -4.390 1.00 0.00 N ATOM 849 CA LEU A 67 -3.420 -7.332 -4.986 1.00 0.00 C ATOM 850 C LEU A 67 -2.253 -8.086 -4.349 1.00 0.00 C ATOM 851 O LEU A 67 -2.423 -8.762 -3.335 1.00 0.00 O ATOM 852 CB LEU A 67 -3.301 -5.810 -4.880 1.00 0.00 C ATOM 853 CG LEU A 67 -2.778 -5.092 -6.125 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.249 -5.122 -6.175 1.00 0.00 C ATOM 855 CD2 LEU A 67 -3.404 -5.669 -7.396 1.00 0.00 C ATOM 0 H LEU A 67 -4.573 -8.181 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.402 -7.556 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.283 -5.404 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.642 -5.574 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.078 -4.046 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.904 -4.605 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.846 -4.627 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.906 -6.156 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.015 -5.140 -8.266 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.157 -6.728 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.487 -5.551 -7.354 1.00 0.00 H new ATOM 867 N THR A 68 -1.090 -7.947 -4.969 1.00 0.00 N ATOM 868 CA THR A 68 0.107 -8.606 -4.475 1.00 0.00 C ATOM 869 C THR A 68 0.966 -7.624 -3.677 1.00 0.00 C ATOM 870 O THR A 68 1.098 -6.460 -4.053 1.00 0.00 O ATOM 871 CB THR A 68 0.836 -9.219 -5.672 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.125 -10.095 -6.255 1.00 0.00 O ATOM 873 CG2 THR A 68 1.979 -10.146 -5.252 1.00 0.00 C ATOM 0 H THR A 68 -0.951 -7.387 -5.810 1.00 0.00 H new ATOM 0 HA THR A 68 -0.141 -9.409 -3.781 1.00 0.00 H new ATOM 0 HB THR A 68 1.229 -8.421 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.203 -10.410 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.462 -10.554 -6.140 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.708 -9.584 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.582 -10.962 -4.648 1.00 0.00 H new ATOM 881 N VAL A 69 1.530 -8.130 -2.590 1.00 0.00 N ATOM 882 CA VAL A 69 2.373 -7.312 -1.736 1.00 0.00 C ATOM 883 C VAL A 69 3.820 -7.390 -2.229 1.00 0.00 C ATOM 884 O VAL A 69 4.601 -8.207 -1.744 1.00 0.00 O ATOM 885 CB VAL A 69 2.215 -7.744 -0.277 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.085 -6.888 0.645 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.748 -7.696 0.153 1.00 0.00 C ATOM 0 H VAL A 69 1.419 -9.096 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 69 2.068 -6.267 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 69 2.554 -8.777 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.954 -7.216 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.132 -6.995 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.790 -5.842 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.664 -8.008 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.371 -6.679 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.163 -8.367 -0.475 1.00 0.00 H new ATOM 897 N ARG A 70 4.131 -6.531 -3.187 1.00 0.00 N ATOM 898 CA ARG A 70 5.471 -6.490 -3.751 1.00 0.00 C ATOM 899 C ARG A 70 6.357 -5.537 -2.948 1.00 0.00 C ATOM 900 O ARG A 70 6.590 -4.404 -3.364 1.00 0.00 O ATOM 901 CB ARG A 70 5.439 -6.040 -5.212 1.00 0.00 C ATOM 902 CG ARG A 70 4.591 -6.989 -6.061 1.00 0.00 C ATOM 903 CD ARG A 70 5.476 -7.903 -6.911 1.00 0.00 C ATOM 904 NE ARG A 70 4.673 -9.022 -7.455 1.00 0.00 N ATOM 905 CZ ARG A 70 5.065 -9.802 -8.472 1.00 0.00 C ATOM 906 NH1 ARG A 70 6.249 -9.592 -9.060 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.270 -10.794 -8.897 1.00 0.00 N ATOM 0 H ARG A 70 3.479 -5.857 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 70 5.882 -7.498 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.035 -5.030 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.454 -6.003 -5.607 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.955 -7.592 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.930 -6.412 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.922 -7.335 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.296 -8.293 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 70 3.765 -9.211 -7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.854 -8.838 -8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.547 -10.186 -9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.369 -10.954 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.566 -11.389 -9.671 1.00 0.00 H new ATOM 921 N ARG A 71 6.827 -6.031 -1.813 1.00 0.00 N ATOM 922 CA ARG A 71 7.685 -5.237 -0.948 1.00 0.00 C ATOM 923 C ARG A 71 8.974 -4.859 -1.681 1.00 0.00 C ATOM 924 O ARG A 71 9.624 -3.875 -1.333 1.00 0.00 O ATOM 925 CB ARG A 71 8.037 -6.001 0.330 1.00 0.00 C ATOM 926 CG ARG A 71 7.955 -5.085 1.554 1.00 0.00 C ATOM 927 CD ARG A 71 6.589 -5.200 2.233 1.00 0.00 C ATOM 928 NE ARG A 71 5.513 -4.909 1.258 1.00 0.00 N ATOM 929 CZ ARG A 71 4.311 -4.420 1.591 1.00 0.00 C ATOM 930 NH1 ARG A 71 4.024 -4.163 2.873 1.00 0.00 N ATOM 931 NH2 ARG A 71 3.398 -4.188 0.638 1.00 0.00 N ATOM 0 H ARG A 71 6.630 -6.972 -1.471 1.00 0.00 H new ATOM 0 HA ARG A 71 7.139 -4.333 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.356 -6.843 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.042 -6.414 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.741 -5.347 2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.130 -4.052 1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.460 -6.202 2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.530 -4.505 3.070 1.00 0.00 H new ATOM 0 HE ARG A 71 5.699 -5.092 0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.721 -4.339 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.109 -3.791 3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.619 -4.384 -0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.482 -3.816 0.889 1.00 0.00 H new ATOM 945 N SER A 72 9.305 -5.660 -2.682 1.00 0.00 N ATOM 946 CA SER A 72 10.505 -5.424 -3.466 1.00 0.00 C ATOM 947 C SER A 72 10.134 -4.808 -4.816 1.00 0.00 C ATOM 948 O SER A 72 9.314 -5.360 -5.549 1.00 0.00 O ATOM 949 CB SER A 72 11.295 -6.718 -3.671 1.00 0.00 C ATOM 950 OG SER A 72 12.499 -6.499 -4.400 1.00 0.00 O ATOM 0 H SER A 72 8.762 -6.475 -2.969 1.00 0.00 H new ATOM 0 HA SER A 72 11.140 -4.728 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.533 -7.155 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.676 -7.440 -4.203 1.00 0.00 H new ATOM 0 HG SER A 72 12.865 -5.619 -4.171 1.00 0.00 H new ATOM 956 N PHE A 73 10.756 -3.675 -5.106 1.00 0.00 N ATOM 957 CA PHE A 73 10.501 -2.977 -6.355 1.00 0.00 C ATOM 958 C PHE A 73 11.053 -1.553 -6.310 1.00 0.00 C ATOM 959 O PHE A 73 11.683 -1.156 -5.329 1.00 0.00 O ATOM 960 CB PHE A 73 8.984 -2.921 -6.534 1.00 0.00 C ATOM 961 CG PHE A 73 8.475 -3.665 -7.772 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.188 -3.624 -8.931 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.312 -4.365 -7.713 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.716 -4.313 -10.077 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.840 -5.055 -8.862 1.00 0.00 C ATOM 966 CZ PHE A 73 7.552 -5.013 -10.020 1.00 0.00 C ATOM 0 H PHE A 73 11.437 -3.222 -4.497 1.00 0.00 H new ATOM 0 HA PHE A 73 10.988 -3.499 -7.179 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.508 -3.342 -5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.674 -1.878 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.112 -3.067 -8.978 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.747 -4.397 -6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.282 -4.282 -10.996 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.916 -5.613 -8.816 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.193 -5.536 -10.894 1.00 0.00 H new ATOM 976 N GLU A 74 10.792 -0.817 -7.382 1.00 0.00 N ATOM 977 CA GLU A 74 11.252 0.558 -7.476 1.00 0.00 C ATOM 978 C GLU A 74 10.234 1.504 -6.839 1.00 0.00 C ATOM 979 O GLU A 74 9.109 1.627 -7.322 1.00 0.00 O ATOM 980 CB GLU A 74 11.527 0.945 -8.930 1.00 0.00 C ATOM 981 CG GLU A 74 12.332 2.243 -9.011 1.00 0.00 C ATOM 982 CD GLU A 74 12.092 2.956 -10.343 1.00 0.00 C ATOM 983 OE1 GLU A 74 12.957 2.800 -11.233 1.00 0.00 O ATOM 984 OE2 GLU A 74 11.051 3.640 -10.442 1.00 0.00 O ATOM 0 H GLU A 74 10.268 -1.148 -8.192 1.00 0.00 H new ATOM 0 HA GLU A 74 12.190 0.645 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.073 0.143 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.583 1.065 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.053 2.900 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.394 2.024 -8.898 1.00 0.00 H new ATOM 992 N GLY A 75 10.663 2.148 -5.764 1.00 0.00 N ATOM 993 CA GLY A 75 9.802 3.080 -5.056 1.00 0.00 C ATOM 994 C GLY A 75 9.981 4.503 -5.588 1.00 0.00 C ATOM 995 O GLY A 75 10.933 4.784 -6.313 1.00 0.00 O ATOM 0 H GLY A 75 11.596 2.043 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.761 2.775 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.031 3.055 -3.991 1.00 0.00 H new ATOM 999 N PHE A 76 9.049 5.365 -5.205 1.00 0.00 N ATOM 1000 CA PHE A 76 9.091 6.752 -5.633 1.00 0.00 C ATOM 1001 C PHE A 76 8.870 7.699 -4.451 1.00 0.00 C ATOM 1002 O PHE A 76 7.842 7.629 -3.781 1.00 0.00 O ATOM 1003 CB PHE A 76 7.959 6.943 -6.643 1.00 0.00 C ATOM 1004 CG PHE A 76 7.935 5.895 -7.757 1.00 0.00 C ATOM 1005 CD1 PHE A 76 7.654 4.596 -7.463 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.195 6.260 -9.041 1.00 0.00 C ATOM 1007 CE1 PHE A 76 7.631 3.623 -8.498 1.00 0.00 C ATOM 1008 CE2 PHE A 76 8.173 5.288 -10.075 1.00 0.00 C ATOM 1009 CZ PHE A 76 7.892 3.989 -9.782 1.00 0.00 C ATOM 0 H PHE A 76 8.261 5.128 -4.603 1.00 0.00 H new ATOM 0 HA PHE A 76 10.065 6.978 -6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.006 6.918 -6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.049 7.933 -7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.449 4.305 -6.443 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.418 7.291 -9.274 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.406 2.593 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.379 5.579 -11.094 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.876 3.249 -10.569 1.00 0.00 H new ATOM 1019 N LEU A 77 9.852 8.561 -4.234 1.00 0.00 N ATOM 1020 CA LEU A 77 9.776 9.520 -3.144 1.00 0.00 C ATOM 1021 C LEU A 77 8.375 10.136 -3.108 1.00 0.00 C ATOM 1022 O LEU A 77 7.608 9.997 -4.059 1.00 0.00 O ATOM 1023 CB LEU A 77 10.898 10.553 -3.261 1.00 0.00 C ATOM 1024 CG LEU A 77 12.285 10.090 -2.812 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.189 8.839 -1.935 1.00 0.00 C ATOM 1026 CD2 LEU A 77 13.209 9.878 -4.014 1.00 0.00 C ATOM 0 H LEU A 77 10.703 8.616 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 77 9.930 9.022 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.963 10.874 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.621 11.429 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 77 12.726 10.878 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.189 8.531 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.591 9.060 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.718 8.034 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.188 9.549 -3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.783 9.119 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.314 10.814 -4.562 1.00 0.00 H new ATOM 1038 N PHE A 78 8.085 10.801 -2.000 1.00 0.00 N ATOM 1039 CA PHE A 78 6.789 11.436 -1.828 1.00 0.00 C ATOM 1040 C PHE A 78 6.658 12.665 -2.730 1.00 0.00 C ATOM 1041 O PHE A 78 5.549 13.077 -3.066 1.00 0.00 O ATOM 1042 CB PHE A 78 6.703 11.884 -0.366 1.00 0.00 C ATOM 1043 CG PHE A 78 6.925 13.384 -0.160 1.00 0.00 C ATOM 1044 CD1 PHE A 78 8.187 13.890 -0.169 1.00 0.00 C ATOM 1045 CD2 PHE A 78 5.860 14.208 0.037 1.00 0.00 C ATOM 1046 CE1 PHE A 78 8.395 15.282 0.024 1.00 0.00 C ATOM 1047 CE2 PHE A 78 6.069 15.599 0.229 1.00 0.00 C ATOM 1048 CZ PHE A 78 7.331 16.107 0.218 1.00 0.00 C ATOM 0 H PHE A 78 8.724 10.914 -1.213 1.00 0.00 H new ATOM 0 HA PHE A 78 5.994 10.738 -2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.723 11.615 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.443 11.334 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.031 13.234 -0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.858 13.805 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.397 15.685 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.225 16.255 0.384 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.488 17.166 0.363 1.00 0.00 H new ATOM 1058 N ASP A 79 7.804 13.214 -3.101 1.00 0.00 N ATOM 1059 CA ASP A 79 7.832 14.386 -3.961 1.00 0.00 C ATOM 1060 C ASP A 79 7.311 14.007 -5.348 1.00 0.00 C ATOM 1061 O ASP A 79 6.332 14.581 -5.826 1.00 0.00 O ATOM 1062 CB ASP A 79 9.255 14.921 -4.119 1.00 0.00 C ATOM 1063 CG ASP A 79 9.373 16.216 -4.924 1.00 0.00 C ATOM 1064 OD1 ASP A 79 8.390 16.986 -4.909 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.447 16.408 -5.536 1.00 0.00 O ATOM 0 H ASP A 79 8.722 12.869 -2.822 1.00 0.00 H new ATOM 0 HA ASP A 79 7.209 15.154 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.677 15.087 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.864 14.155 -4.600 1.00 0.00 H new ATOM 1071 N GLY A 80 7.988 13.045 -5.957 1.00 0.00 N ATOM 1072 CA GLY A 80 7.606 12.582 -7.280 1.00 0.00 C ATOM 1073 C GLY A 80 8.758 11.834 -7.953 1.00 0.00 C ATOM 1074 O GLY A 80 8.532 10.983 -8.813 1.00 0.00 O ATOM 0 H GLY A 80 8.800 12.573 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.738 11.927 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.311 13.432 -7.895 1.00 0.00 H new ATOM 1078 N THR A 81 9.967 12.175 -7.536 1.00 0.00 N ATOM 1079 CA THR A 81 11.156 11.545 -8.087 1.00 0.00 C ATOM 1080 C THR A 81 11.240 10.085 -7.641 1.00 0.00 C ATOM 1081 O THR A 81 10.863 9.750 -6.520 1.00 0.00 O ATOM 1082 CB THR A 81 12.369 12.378 -7.670 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.477 11.507 -7.882 1.00 0.00 O ATOM 1084 CG2 THR A 81 12.399 12.659 -6.168 1.00 0.00 C ATOM 0 H THR A 81 10.150 12.880 -6.822 1.00 0.00 H new ATOM 0 HA THR A 81 11.121 11.518 -9.176 1.00 0.00 H new ATOM 0 HB THR A 81 12.365 13.322 -8.215 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.307 11.968 -7.638 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.280 13.253 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.502 13.208 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.437 11.716 -5.622 1.00 0.00 H new ATOM 1092 N ARG A 82 11.735 9.250 -8.544 1.00 0.00 N ATOM 1093 CA ARG A 82 11.874 7.832 -8.258 1.00 0.00 C ATOM 1094 C ARG A 82 13.106 7.585 -7.387 1.00 0.00 C ATOM 1095 O ARG A 82 14.199 8.052 -7.704 1.00 0.00 O ATOM 1096 CB ARG A 82 11.998 7.021 -9.549 1.00 0.00 C ATOM 1097 CG ARG A 82 10.935 7.441 -10.566 1.00 0.00 C ATOM 1098 CD ARG A 82 11.389 7.133 -11.994 1.00 0.00 C ATOM 1099 NE ARG A 82 10.223 7.119 -12.905 1.00 0.00 N ATOM 1100 CZ ARG A 82 10.179 6.440 -14.058 1.00 0.00 C ATOM 1101 NH1 ARG A 82 11.233 5.715 -14.450 1.00 0.00 N ATOM 1102 NH2 ARG A 82 9.078 6.488 -14.823 1.00 0.00 N ATOM 0 H ARG A 82 12.045 9.529 -9.475 1.00 0.00 H new ATOM 0 HA ARG A 82 10.979 7.511 -7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.991 7.161 -9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.894 5.959 -9.327 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.001 6.919 -10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.733 8.508 -10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.110 7.881 -12.324 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.895 6.168 -12.023 1.00 0.00 H new ATOM 0 HE ARG A 82 9.401 7.661 -12.638 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.071 5.679 -13.870 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.198 5.198 -15.329 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.275 7.042 -14.526 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.044 5.971 -15.701 1.00 0.00 H new ATOM 1116 N TRP A 83 12.890 6.849 -6.307 1.00 0.00 N ATOM 1117 CA TRP A 83 13.970 6.532 -5.387 1.00 0.00 C ATOM 1118 C TRP A 83 14.570 5.188 -5.807 1.00 0.00 C ATOM 1119 O TRP A 83 15.527 5.146 -6.577 1.00 0.00 O ATOM 1120 CB TRP A 83 13.478 6.542 -3.939 1.00 0.00 C ATOM 1121 CG TRP A 83 14.531 6.103 -2.920 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.490 5.051 -2.092 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.794 6.749 -2.656 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.627 4.974 -1.314 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.446 6.040 -1.670 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.366 7.897 -3.231 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.704 6.397 -1.171 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.624 8.241 -2.724 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.293 7.538 -1.729 1.00 0.00 C ATOM 0 H TRP A 83 11.982 6.463 -6.048 1.00 0.00 H new ATOM 0 HA TRP A 83 14.751 7.291 -5.433 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.141 7.548 -3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.612 5.886 -3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.670 4.351 -2.040 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.829 4.266 -0.608 1.00 0.00 H new ATOM 0 HE3 TRP A 83 15.873 8.469 -4.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.194 5.824 -0.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.109 9.114 -3.135 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.262 7.870 -1.388 1.00 0.00 H new ATOM 1140 N GLY A 84 13.981 4.125 -5.280 1.00 0.00 N ATOM 1141 CA GLY A 84 14.446 2.783 -5.590 1.00 0.00 C ATOM 1142 C GLY A 84 13.776 1.751 -4.681 1.00 0.00 C ATOM 1143 O GLY A 84 13.208 0.771 -5.162 1.00 0.00 O ATOM 0 H GLY A 84 13.187 4.165 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.230 2.550 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.528 2.732 -5.470 1.00 0.00 H new ATOM 1147 N THR A 85 13.869 2.001 -3.383 1.00 0.00 N ATOM 1148 CA THR A 85 13.281 1.103 -2.403 1.00 0.00 C ATOM 1149 C THR A 85 14.001 -0.245 -2.417 1.00 0.00 C ATOM 1150 O THR A 85 14.573 -0.659 -1.411 1.00 0.00 O ATOM 1151 CB THR A 85 11.783 0.998 -2.698 1.00 0.00 C ATOM 1152 OG1 THR A 85 11.262 2.267 -2.311 1.00 0.00 O ATOM 1153 CG2 THR A 85 11.073 0.007 -1.773 1.00 0.00 C ATOM 0 H THR A 85 14.343 2.813 -2.987 1.00 0.00 H new ATOM 0 HA THR A 85 13.400 1.488 -1.390 1.00 0.00 H new ATOM 0 HB THR A 85 11.638 0.696 -3.735 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.316 2.173 -2.071 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.013 -0.030 -2.024 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.510 -0.984 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.190 0.328 -0.738 1.00 0.00 H new ATOM 1161 N VAL A 86 13.946 -0.898 -3.571 1.00 0.00 N ATOM 1162 CA VAL A 86 14.585 -2.192 -3.728 1.00 0.00 C ATOM 1163 C VAL A 86 13.877 -3.217 -2.839 1.00 0.00 C ATOM 1164 O VAL A 86 12.968 -3.913 -3.290 1.00 0.00 O ATOM 1165 CB VAL A 86 16.082 -2.077 -3.434 1.00 0.00 C ATOM 1166 CG1 VAL A 86 16.752 -3.454 -3.452 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.762 -1.123 -4.416 1.00 0.00 C ATOM 0 H VAL A 86 13.469 -0.554 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 86 14.497 -2.539 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 86 16.196 -1.662 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.816 -3.344 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.295 -4.091 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 86 16.623 -3.909 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.825 -1.060 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 86 16.633 -1.495 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.313 -0.133 -4.332 1.00 0.00 H new ATOM 1177 N ASP A 87 14.320 -3.279 -1.591 1.00 0.00 N ATOM 1178 CA ASP A 87 13.742 -4.207 -0.636 1.00 0.00 C ATOM 1179 C ASP A 87 13.130 -3.420 0.526 1.00 0.00 C ATOM 1180 O ASP A 87 13.845 -2.974 1.421 1.00 0.00 O ATOM 1181 CB ASP A 87 14.807 -5.144 -0.064 1.00 0.00 C ATOM 1182 CG ASP A 87 14.361 -6.596 0.116 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.362 -6.797 0.842 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.030 -7.471 -0.474 1.00 0.00 O ATOM 0 H ASP A 87 15.074 -2.700 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 87 12.985 -4.796 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.676 -5.126 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.129 -4.756 0.902 1.00 0.00 H new ATOM 1190 N CYS A 88 11.814 -3.276 0.471 1.00 0.00 N ATOM 1191 CA CYS A 88 11.100 -2.550 1.508 1.00 0.00 C ATOM 1192 C CYS A 88 10.808 -3.518 2.657 1.00 0.00 C ATOM 1193 O CYS A 88 9.676 -3.596 3.135 1.00 0.00 O ATOM 1194 CB CYS A 88 9.821 -1.905 0.966 1.00 0.00 C ATOM 1195 SG CYS A 88 8.746 -1.147 2.238 1.00 0.00 S ATOM 0 H CYS A 88 11.225 -3.649 -0.273 1.00 0.00 H new ATOM 0 HA CYS A 88 11.717 -1.729 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.096 -1.140 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.248 -2.662 0.430 1.00 0.00 H new ATOM 1200 N THR A 89 11.848 -4.229 3.066 1.00 0.00 N ATOM 1201 CA THR A 89 11.718 -5.188 4.149 1.00 0.00 C ATOM 1202 C THR A 89 12.009 -4.517 5.493 1.00 0.00 C ATOM 1203 O THR A 89 11.555 -4.986 6.537 1.00 0.00 O ATOM 1204 CB THR A 89 12.642 -6.370 3.848 1.00 0.00 C ATOM 1205 OG1 THR A 89 12.555 -7.184 5.015 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.116 -5.961 3.787 1.00 0.00 C ATOM 0 H THR A 89 12.784 -4.160 2.667 1.00 0.00 H new ATOM 0 HA THR A 89 10.698 -5.565 4.223 1.00 0.00 H new ATOM 0 HB THR A 89 12.353 -6.825 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.123 -7.975 4.905 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.728 -6.837 3.571 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.255 -5.218 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.416 -5.537 4.745 1.00 0.00 H new ATOM 1214 N THR A 90 12.762 -3.430 5.424 1.00 0.00 N ATOM 1215 CA THR A 90 13.119 -2.689 6.622 1.00 0.00 C ATOM 1216 C THR A 90 12.050 -1.643 6.940 1.00 0.00 C ATOM 1217 O THR A 90 11.713 -1.427 8.104 1.00 0.00 O ATOM 1218 CB THR A 90 14.510 -2.090 6.412 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.396 -3.191 6.604 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.897 -1.104 7.515 1.00 0.00 C ATOM 0 H THR A 90 13.135 -3.044 4.557 1.00 0.00 H new ATOM 0 HA THR A 90 13.159 -3.343 7.493 1.00 0.00 H new ATOM 0 HB THR A 90 14.544 -1.585 5.446 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.321 -2.891 6.484 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.893 -0.709 7.317 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.179 -0.284 7.538 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.895 -1.615 8.478 1.00 0.00 H new ATOM 1228 N ALA A 91 11.543 -1.020 5.885 1.00 0.00 N ATOM 1229 CA ALA A 91 10.518 -0.001 6.038 1.00 0.00 C ATOM 1230 C ALA A 91 9.138 -0.656 5.958 1.00 0.00 C ATOM 1231 O ALA A 91 8.841 -1.374 5.004 1.00 0.00 O ATOM 1232 CB ALA A 91 10.713 1.082 4.973 1.00 0.00 C ATOM 0 H ALA A 91 11.823 -1.202 4.921 1.00 0.00 H new ATOM 0 HA ALA A 91 10.597 0.481 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.945 1.847 5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.697 1.536 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.636 0.635 3.982 1.00 0.00 H new ATOM 1238 N ALA A 92 8.331 -0.385 6.974 1.00 0.00 N ATOM 1239 CA ALA A 92 6.989 -0.939 7.030 1.00 0.00 C ATOM 1240 C ALA A 92 6.127 -0.293 5.944 1.00 0.00 C ATOM 1241 O ALA A 92 5.692 0.849 6.091 1.00 0.00 O ATOM 1242 CB ALA A 92 6.411 -0.734 8.432 1.00 0.00 C ATOM 0 H ALA A 92 8.581 0.210 7.764 1.00 0.00 H new ATOM 0 HA ALA A 92 7.009 -2.012 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.404 -1.149 8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.043 -1.238 9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.374 0.332 8.658 1.00 0.00 H new ATOM 1248 N CYS A 93 5.907 -1.048 4.880 1.00 0.00 N ATOM 1249 CA CYS A 93 5.107 -0.561 3.768 1.00 0.00 C ATOM 1250 C CYS A 93 3.630 -0.699 4.147 1.00 0.00 C ATOM 1251 O CYS A 93 3.165 -1.793 4.460 1.00 0.00 O ATOM 1252 CB CYS A 93 5.434 -1.300 2.470 1.00 0.00 C ATOM 1253 SG CYS A 93 7.102 -2.055 2.413 1.00 0.00 S ATOM 0 H CYS A 93 6.268 -1.995 4.763 1.00 0.00 H new ATOM 0 HA CYS A 93 5.338 0.487 3.579 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.691 -2.083 2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.338 -0.603 1.638 1.00 0.00 H new ATOM 1258 N GLN A 94 2.934 0.429 4.103 1.00 0.00 N ATOM 1259 CA GLN A 94 1.522 0.450 4.437 1.00 0.00 C ATOM 1260 C GLN A 94 0.677 0.199 3.184 1.00 0.00 C ATOM 1261 O GLN A 94 0.672 1.014 2.264 1.00 0.00 O ATOM 1262 CB GLN A 94 1.134 1.771 5.105 1.00 0.00 C ATOM 1263 CG GLN A 94 1.678 1.842 6.534 1.00 0.00 C ATOM 1264 CD GLN A 94 2.096 3.269 6.889 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.534 4.043 6.054 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.937 3.574 8.174 1.00 0.00 N ATOM 0 H GLN A 94 3.324 1.334 3.841 1.00 0.00 H new ATOM 0 HA GLN A 94 1.326 -0.350 5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.523 2.606 4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.049 1.871 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.917 1.497 7.234 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.532 1.173 6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.565 2.879 8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.187 4.503 8.512 1.00 0.00 H new ATOM 1275 N VAL A 95 -0.017 -0.928 3.192 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.863 -1.295 2.069 1.00 0.00 C ATOM 1277 C VAL A 95 -2.245 -0.666 2.253 1.00 0.00 C ATOM 1278 O VAL A 95 -3.019 -1.096 3.108 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.912 -2.818 1.927 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.473 -3.222 0.562 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.467 -3.437 2.159 1.00 0.00 C ATOM 0 H VAL A 95 -0.011 -1.600 3.959 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.451 -0.909 1.137 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.583 -3.204 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.497 -4.309 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.483 -2.828 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.838 -2.817 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.402 -4.520 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.171 -3.041 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.812 -3.192 3.164 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.515 0.340 1.434 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.791 1.032 1.493 1.00 0.00 C ATOM 1293 C GLY A 96 -4.019 1.871 0.235 1.00 0.00 C ATOM 1294 O GLY A 96 -3.166 1.913 -0.650 1.00 0.00 O ATOM 0 H GLY A 96 -1.871 0.692 0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.597 0.307 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.820 1.675 2.373 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.175 2.518 0.196 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.528 3.353 -0.942 1.00 0.00 C ATOM 1300 C LEU A 97 -5.407 4.826 -0.543 1.00 0.00 C ATOM 1301 O LEU A 97 -5.697 5.190 0.595 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.908 2.973 -1.478 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.907 2.444 -0.448 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -7.489 1.063 0.061 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.096 3.443 0.695 1.00 0.00 C ATOM 0 H LEU A 97 -5.879 2.481 0.933 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.835 3.187 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.343 3.849 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.779 2.216 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.874 2.328 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.216 0.709 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.446 0.365 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.507 1.130 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.811 3.043 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.140 3.614 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.471 4.385 0.296 1.00 0.00 H new ATOM 1317 N SER A 98 -4.974 5.632 -1.501 1.00 0.00 N ATOM 1318 CA SER A 98 -4.813 7.057 -1.265 1.00 0.00 C ATOM 1319 C SER A 98 -5.939 7.833 -1.950 1.00 0.00 C ATOM 1320 O SER A 98 -6.390 7.456 -3.030 1.00 0.00 O ATOM 1321 CB SER A 98 -3.451 7.546 -1.765 1.00 0.00 C ATOM 1322 OG SER A 98 -3.430 7.712 -3.181 1.00 0.00 O ATOM 0 H SER A 98 -4.730 5.325 -2.443 1.00 0.00 H new ATOM 0 HA SER A 98 -4.862 7.233 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.208 8.494 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.680 6.833 -1.472 1.00 0.00 H new ATOM 0 HG SER A 98 -2.545 8.027 -3.460 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.362 8.903 -1.291 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.428 9.737 -1.822 1.00 0.00 C ATOM 1330 C ASP A 99 -6.945 10.420 -3.102 1.00 0.00 C ATOM 1331 O ASP A 99 -5.742 10.508 -3.347 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.825 10.825 -0.825 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.604 10.466 0.646 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.469 10.049 0.964 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -8.574 10.619 1.420 1.00 0.00 O ATOM 0 H ASP A 99 -5.986 9.211 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.289 9.099 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.259 11.729 -1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.879 11.064 -0.971 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.907 10.886 -3.886 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.594 11.560 -5.135 1.00 0.00 C ATOM 1343 C ALA A 100 -7.420 13.059 -4.871 1.00 0.00 C ATOM 1344 O ALA A 100 -7.420 13.859 -5.805 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.691 11.271 -6.159 1.00 0.00 C ATOM 0 H ALA A 100 -8.903 10.810 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.657 11.188 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.457 11.776 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.753 10.197 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.647 11.634 -5.780 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.276 13.390 -3.595 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.103 14.775 -3.198 1.00 0.00 C ATOM 1353 C ALA A 101 -5.622 15.038 -2.914 1.00 0.00 C ATOM 1354 O ALA A 101 -5.104 16.107 -3.233 1.00 0.00 O ATOM 1355 CB ALA A 101 -7.990 15.076 -1.990 1.00 0.00 C ATOM 0 H ALA A 101 -7.276 12.722 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.410 15.445 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.859 16.116 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.034 14.902 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.711 14.424 -1.162 1.00 0.00 H new ATOM 1361 N GLY A 102 -4.981 14.044 -2.319 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.571 14.153 -1.987 1.00 0.00 C ATOM 1363 C GLY A 102 -3.318 13.763 -0.529 1.00 0.00 C ATOM 1364 O GLY A 102 -2.672 14.504 0.211 1.00 0.00 O ATOM 0 H GLY A 102 -5.413 13.158 -2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.988 13.509 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.232 15.175 -2.158 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.839 12.602 -0.161 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.677 12.105 1.193 1.00 0.00 C ATOM 1370 C ASN A 103 -3.636 10.575 1.169 1.00 0.00 C ATOM 1371 O ASN A 103 -4.182 9.951 0.263 1.00 0.00 O ATOM 1372 CB ASN A 103 -4.848 12.532 2.080 1.00 0.00 C ATOM 1373 CG ASN A 103 -4.953 14.055 2.153 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -3.986 14.761 2.386 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -6.180 14.525 1.940 1.00 0.00 N ATOM 0 H ASN A 103 -4.374 11.991 -0.778 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.751 12.517 1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.777 12.118 1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.717 12.124 3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.353 15.530 1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.947 13.880 1.750 1.00 0.00 H new ATOM 1382 N GLY A 104 -2.979 10.017 2.178 1.00 0.00 N ATOM 1383 CA GLY A 104 -2.859 8.574 2.283 1.00 0.00 C ATOM 1384 C GLY A 104 -3.037 8.114 3.732 1.00 0.00 C ATOM 1385 O GLY A 104 -2.086 7.661 4.365 1.00 0.00 O ATOM 0 H GLY A 104 -2.526 10.539 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.608 8.096 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.883 8.259 1.915 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.298 8.247 4.226 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.613 7.850 5.587 1.00 0.00 C ATOM 1391 C PRO A 105 -4.689 6.326 5.712 1.00 0.00 C ATOM 1392 O PRO A 105 -4.272 5.760 6.720 1.00 0.00 O ATOM 1393 CB PRO A 105 -5.931 8.537 5.903 1.00 0.00 C ATOM 1394 CG PRO A 105 -6.538 8.914 4.562 1.00 0.00 C ATOM 1395 CD PRO A 105 -5.451 8.778 3.506 1.00 0.00 C ATOM 0 HA PRO A 105 -3.843 8.147 6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.594 7.873 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -5.772 9.420 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.381 8.264 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.920 9.935 4.589 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.760 8.108 2.704 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.222 9.740 3.047 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.223 5.706 4.671 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.361 4.260 4.651 1.00 0.00 C ATOM 1405 C GLU A 106 -4.031 3.608 4.265 1.00 0.00 C ATOM 1406 O GLU A 106 -3.310 4.117 3.407 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.478 3.827 3.700 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.701 3.339 4.481 1.00 0.00 C ATOM 1409 CD GLU A 106 -8.225 4.430 5.418 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -9.132 5.168 4.978 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.706 4.498 6.552 1.00 0.00 O ATOM 0 H GLU A 106 -5.566 6.179 3.835 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.633 3.927 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.760 4.663 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.118 3.032 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.487 3.044 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.438 2.453 5.059 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.746 2.489 4.918 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.516 1.763 4.654 1.00 0.00 C ATOM 1421 C GLY A 107 -2.030 1.032 5.908 1.00 0.00 C ATOM 1422 O GLY A 107 -1.754 1.661 6.929 1.00 0.00 O ATOM 0 H GLY A 107 -4.346 2.069 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.679 1.045 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.747 2.456 4.312 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.942 -0.284 5.791 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.494 -1.106 6.902 1.00 0.00 C ATOM 1428 C VAL A 108 -0.057 -1.562 6.649 1.00 0.00 C ATOM 1429 O VAL A 108 0.232 -2.181 5.625 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.464 -2.272 7.113 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.143 -3.428 6.164 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.451 -2.739 8.570 1.00 0.00 C ATOM 0 H VAL A 108 -2.173 -0.802 4.943 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.492 -0.529 7.827 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.469 -1.919 6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.846 -4.244 6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.226 -3.086 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.128 -3.779 6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.148 -3.568 8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.447 -3.067 8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.749 -1.915 9.219 1.00 0.00 H new ATOM 1442 N ALA A 109 0.809 -1.236 7.597 1.00 0.00 N ATOM 1443 CA ALA A 109 2.210 -1.605 7.490 1.00 0.00 C ATOM 1444 C ALA A 109 2.341 -3.128 7.568 1.00 0.00 C ATOM 1445 O ALA A 109 2.544 -3.683 8.646 1.00 0.00 O ATOM 1446 CB ALA A 109 3.010 -0.896 8.585 1.00 0.00 C ATOM 0 H ALA A 109 0.567 -0.720 8.443 1.00 0.00 H new ATOM 0 HA ALA A 109 2.617 -1.288 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.061 -1.173 8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.909 0.183 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.630 -1.192 9.563 1.00 0.00 H new ATOM 1452 N ILE A 110 2.219 -3.760 6.408 1.00 0.00 N ATOM 1453 CA ILE A 110 2.319 -5.207 6.331 1.00 0.00 C ATOM 1454 C ILE A 110 3.713 -5.588 5.827 1.00 0.00 C ATOM 1455 O ILE A 110 4.401 -4.774 5.215 1.00 0.00 O ATOM 1456 CB ILE A 110 1.182 -5.780 5.484 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.486 -6.932 6.211 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.681 -6.192 4.100 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.989 -6.612 6.465 1.00 0.00 C ATOM 0 H ILE A 110 2.052 -3.296 5.515 1.00 0.00 H new ATOM 0 HA ILE A 110 2.202 -5.651 7.320 1.00 0.00 H new ATOM 0 HB ILE A 110 0.439 -4.997 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 110 0.567 -7.843 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.988 -7.124 7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.852 -6.596 3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.093 -5.322 3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.455 -6.952 4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.459 -7.448 6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.066 -5.715 7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.494 -6.445 5.514 1.00 0.00 H new ATOM 1471 N SER A 111 4.088 -6.829 6.103 1.00 0.00 N ATOM 1472 CA SER A 111 5.386 -7.330 5.685 1.00 0.00 C ATOM 1473 C SER A 111 5.878 -8.396 6.667 1.00 0.00 C ATOM 1474 O SER A 111 6.226 -9.504 6.263 1.00 0.00 O ATOM 1475 CB SER A 111 6.407 -6.195 5.581 1.00 0.00 C ATOM 1476 OG SER A 111 7.740 -6.658 5.759 1.00 0.00 O ATOM 0 H SER A 111 3.515 -7.502 6.611 1.00 0.00 H new ATOM 0 HA SER A 111 5.277 -7.777 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.317 -5.715 4.606 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.184 -5.437 6.331 1.00 0.00 H new ATOM 0 HG SER A 111 8.361 -5.904 5.684 1.00 0.00 H new ATOM 1482 N PHE A 112 5.889 -8.023 7.938 1.00 0.00 N ATOM 1483 CA PHE A 112 6.332 -8.932 8.982 1.00 0.00 C ATOM 1484 C PHE A 112 5.837 -8.475 10.354 1.00 0.00 C ATOM 1485 O PHE A 112 5.239 -7.406 10.478 1.00 0.00 O ATOM 1486 CB PHE A 112 7.862 -8.913 8.973 1.00 0.00 C ATOM 1487 CG PHE A 112 8.478 -7.885 9.923 1.00 0.00 C ATOM 1488 CD1 PHE A 112 8.630 -6.595 9.524 1.00 0.00 C ATOM 1489 CD2 PHE A 112 8.870 -8.263 11.170 1.00 0.00 C ATOM 1490 CE1 PHE A 112 9.200 -5.641 10.408 1.00 0.00 C ATOM 1491 CE2 PHE A 112 9.442 -7.309 12.054 1.00 0.00 C ATOM 1492 CZ PHE A 112 9.594 -6.017 11.654 1.00 0.00 C ATOM 0 H PHE A 112 5.598 -7.103 8.269 1.00 0.00 H new ATOM 0 HA PHE A 112 5.936 -9.931 8.797 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.229 -9.904 9.240 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.206 -8.708 7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.317 -6.295 8.535 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.746 -9.288 11.488 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.321 -4.616 10.090 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.756 -7.609 13.043 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.027 -5.291 12.326 1.00 0.00 H new ATOM 1502 N ASN A 113 6.102 -9.305 11.352 1.00 0.00 N ATOM 1503 CA ASN A 113 5.692 -9.001 12.712 1.00 0.00 C ATOM 1504 C ASN A 113 6.457 -7.773 13.207 1.00 0.00 C ATOM 1505 O ASN A 113 6.242 -7.313 14.327 1.00 0.00 O ATOM 1506 CB ASN A 113 5.999 -10.165 13.656 1.00 0.00 C ATOM 1507 CG ASN A 113 5.074 -10.144 14.873 1.00 0.00 C ATOM 1508 OD1 ASN A 113 4.416 -9.158 15.169 1.00 0.00 O ATOM 1509 ND2 ASN A 113 5.060 -11.279 15.562 1.00 0.00 N ATOM 0 H ASN A 113 6.597 -10.190 11.245 1.00 0.00 H new ATOM 0 HA ASN A 113 4.617 -8.818 12.707 1.00 0.00 H new ATOM 0 HB2 ASN A 113 5.884 -11.109 13.124 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.037 -10.108 13.983 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.475 -11.364 16.393 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.634 -12.066 15.260 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.388 7.564 0.372 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.105 7.046 -0.897 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.582 5.817 -0.988 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.869 5.244 -2.222 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.440 5.873 -3.375 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.255 7.094 -3.311 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.507 7.732 -2.065 1.00 0.00 C HETATM 1524 C11 NCZ A 130 0.793 9.149 -2.034 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.304 9.694 -3.014 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.550 10.017 -0.874 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.140 11.359 -0.870 1.00 0.00 C HETATM 1528 C13 NCZ A 130 2.635 11.325 -0.538 1.00 0.00 C HETATM 1529 C14 NCZ A 130 2.803 11.567 0.769 1.00 0.00 C HETATM 1530 C15 NCZ A 130 1.562 12.036 1.438 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.547 12.180 0.288 1.00 0.00 C HETATM 1532 O6 NCZ A 130 0.437 13.593 -0.042 1.00 0.00 O HETATM 1533 O5 NCZ A 130 3.322 12.327 -1.292 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.647 7.664 -4.535 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.982 5.196 0.172 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.697 5.755 1.409 1.00 0.00 C HETATM 1537 C2 NCZ A 130 -0.006 6.935 1.522 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.265 7.442 2.784 1.00 0.00 O HETATM 1539 C17 NCZ A 130 0.584 8.817 3.076 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.751 3.913 0.165 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.691 4.055 -0.369 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.165 3.140 -0.332 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.959 3.608 1.191 1.00 0.00 H new HETATM 0 H173 NCZ A 130 1.486 9.104 2.536 1.00 0.00 H new HETATM 0 H172 NCZ A 130 -0.243 9.456 2.766 1.00 0.00 H new HETATM 0 H171 NCZ A 130 0.750 8.932 4.147 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.642 5.418 -4.345 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.426 4.309 -2.279 1.00 0.00 H new HETATM 0 H6 NCZ A 130 -0.499 13.874 0.031 1.00 0.00 H new HETATM 0 H5 NCZ A 130 4.110 11.931 -1.720 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -1.030 5.245 2.313 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.060 8.538 -4.372 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.455 11.824 0.529 1.00 0.00 H new HETATM 0 H15 NCZ A 130 1.406 12.233 2.499 1.00 0.00 H new HETATM 0 H14 NCZ A 130 3.752 11.434 1.288 1.00 0.00 H new HETATM 0 H13 NCZ A 130 3.037 10.344 -0.789 1.00 0.00 H new HETATM 0 H12 NCZ A 130 0.947 11.773 -1.860 1.00 0.00 H new HETATM 0 H1 NCZ A 130 0.941 8.500 0.447 1.00 0.00 H new