USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=31 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 :FLIP amide:sc= 0.183 F(o=-16!,f=-12) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -11.8! C(o=-14!,f=-12!) USER MOD Set 2.1: A 27 GLN : amide:sc= -17! C(o=-18!,f=-21!) USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= -0.757 USER MOD Single : A 1 ALA N :NH3+ -172:sc= -0.788 (180deg=-0.939) USER MOD Single : A 4 THR OG1 : rot -69:sc= 0.969 USER MOD Single : A 6 THR OG1 : rot -82:sc= 0.772 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -45:sc= 0.124 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 130:sc= -0.0396 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -74:sc= -3.83! USER MOD Single : A 60 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.7!) USER MOD Single : A 62 SER OG : rot 180:sc= -1.03 USER MOD Single : A 64 SER OG : rot 50:sc= 0.359 USER MOD Single : A 65 THR OG1 : rot -90:sc= -1.93! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0503 USER MOD Single : A 72 SER OG : rot -21:sc= -1.39! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 50:sc= -4.88! USER MOD Single : A 89 THR OG1 : rot -22:sc= 0.0498 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0817 X(o=-0.082,f=-0.42) USER MOD Single : A 98 SER OG : rot 150:sc= -0.481 USER MOD Single : A 103 ASN : amide:sc= -0.709 X(o=-0.71,f=-0.91) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -2.43 K(o=-2.4,f=-12!) USER MOD Single : A 130 NCZ O2 : rot 172:sc= 1 USER MOD Single : A 130 NCZ O5 : rot -69:sc= -1.05! USER MOD Single : A 130 NCZ O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.704 -6.098 6.047 1.00 0.00 N ATOM 2 CA ALA A 1 -12.422 -6.927 6.999 1.00 0.00 C ATOM 3 C ALA A 1 -13.309 -6.042 7.876 1.00 0.00 C ATOM 4 O ALA A 1 -14.389 -6.456 8.292 1.00 0.00 O ATOM 5 CB ALA A 1 -11.423 -7.746 7.819 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.207 -6.705 5.364 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.377 -5.487 5.542 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.013 -5.508 6.553 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.072 -7.631 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.962 -8.368 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.840 -8.381 7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.755 -7.073 8.356 1.00 0.00 H new ATOM 11 N ALA A 2 -12.818 -4.838 8.131 1.00 0.00 N ATOM 12 CA ALA A 2 -13.551 -3.888 8.951 1.00 0.00 C ATOM 13 C ALA A 2 -12.705 -2.628 9.145 1.00 0.00 C ATOM 14 O ALA A 2 -13.146 -1.524 8.826 1.00 0.00 O ATOM 15 CB ALA A 2 -13.930 -4.547 10.280 1.00 0.00 C ATOM 0 H ALA A 2 -11.921 -4.498 7.784 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.477 -3.590 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.480 -3.835 10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.555 -5.419 10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.026 -4.857 10.804 1.00 0.00 H new ATOM 21 N PRO A 3 -11.473 -2.840 9.680 1.00 0.00 N ATOM 22 CA PRO A 3 -10.561 -1.735 9.921 1.00 0.00 C ATOM 23 C PRO A 3 -9.946 -1.237 8.612 1.00 0.00 C ATOM 24 O PRO A 3 -8.743 -1.381 8.394 1.00 0.00 O ATOM 25 CB PRO A 3 -9.530 -2.281 10.894 1.00 0.00 C ATOM 26 CG PRO A 3 -9.629 -3.794 10.801 1.00 0.00 C ATOM 27 CD PRO A 3 -10.917 -4.133 10.069 1.00 0.00 C ATOM 0 HA PRO A 3 -11.059 -0.861 10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.528 -1.939 10.634 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.731 -1.938 11.909 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.769 -4.201 10.269 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.627 -4.238 11.796 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.724 -4.760 9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.605 -4.683 10.711 1.00 0.00 H new ATOM 35 N THR A 4 -10.796 -0.662 7.775 1.00 0.00 N ATOM 36 CA THR A 4 -10.352 -0.143 6.493 1.00 0.00 C ATOM 37 C THR A 4 -9.644 -1.237 5.691 1.00 0.00 C ATOM 38 O THR A 4 -9.548 -2.378 6.142 1.00 0.00 O ATOM 39 CB THR A 4 -9.471 1.080 6.760 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.160 0.538 6.910 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.764 1.730 8.114 1.00 0.00 C ATOM 0 H THR A 4 -11.792 -0.544 7.960 1.00 0.00 H new ATOM 0 HA THR A 4 -11.196 0.172 5.879 1.00 0.00 H new ATOM 0 HB THR A 4 -9.619 1.813 5.967 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.113 0.021 7.741 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.112 2.592 8.252 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.804 2.054 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.585 1.008 8.911 1.00 0.00 H new ATOM 49 N ALA A 5 -9.168 -0.852 4.517 1.00 0.00 N ATOM 50 CA ALA A 5 -8.473 -1.786 3.649 1.00 0.00 C ATOM 51 C ALA A 5 -7.253 -2.349 4.382 1.00 0.00 C ATOM 52 O ALA A 5 -6.361 -1.600 4.773 1.00 0.00 O ATOM 53 CB ALA A 5 -8.094 -1.083 2.343 1.00 0.00 C ATOM 0 H ALA A 5 -9.250 0.095 4.146 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.120 -2.625 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.572 -1.783 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.997 -0.728 1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.443 -0.236 2.561 1.00 0.00 H new ATOM 59 N THR A 6 -7.258 -3.663 4.546 1.00 0.00 N ATOM 60 CA THR A 6 -6.162 -4.334 5.226 1.00 0.00 C ATOM 61 C THR A 6 -5.832 -5.656 4.526 1.00 0.00 C ATOM 62 O THR A 6 -6.715 -6.311 3.979 1.00 0.00 O ATOM 63 CB THR A 6 -6.554 -4.507 6.696 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.966 -4.689 6.659 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.364 -3.222 7.505 1.00 0.00 C ATOM 0 H THR A 6 -8.002 -4.281 4.221 1.00 0.00 H new ATOM 0 HA THR A 6 -5.248 -3.742 5.185 1.00 0.00 H new ATOM 0 HB THR A 6 -5.961 -5.307 7.140 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.407 -3.816 6.604 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.656 -3.397 8.540 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.317 -2.921 7.469 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.984 -2.431 7.082 1.00 0.00 H new ATOM 73 N VAL A 7 -4.553 -6.006 4.571 1.00 0.00 N ATOM 74 CA VAL A 7 -4.095 -7.236 3.948 1.00 0.00 C ATOM 75 C VAL A 7 -4.520 -8.428 4.808 1.00 0.00 C ATOM 76 O VAL A 7 -3.974 -8.646 5.888 1.00 0.00 O ATOM 77 CB VAL A 7 -2.583 -7.174 3.719 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.991 -8.577 3.579 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.248 -6.313 2.500 1.00 0.00 C ATOM 0 H VAL A 7 -3.822 -5.460 5.028 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.555 -7.362 2.968 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.131 -6.706 4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.916 -8.504 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.183 -9.145 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.452 -9.083 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.167 -6.286 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.718 -6.739 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.619 -5.300 2.657 1.00 0.00 H new ATOM 89 N THR A 8 -5.493 -9.169 4.297 1.00 0.00 N ATOM 90 CA THR A 8 -5.998 -10.332 5.004 1.00 0.00 C ATOM 91 C THR A 8 -4.851 -11.087 5.679 1.00 0.00 C ATOM 92 O THR A 8 -4.811 -11.196 6.904 1.00 0.00 O ATOM 93 CB THR A 8 -6.785 -11.188 4.010 1.00 0.00 C ATOM 94 OG1 THR A 8 -8.149 -10.881 4.289 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.670 -12.684 4.302 1.00 0.00 C ATOM 0 H THR A 8 -5.945 -8.985 3.401 1.00 0.00 H new ATOM 0 HA THR A 8 -6.673 -10.041 5.809 1.00 0.00 H new ATOM 0 HB THR A 8 -6.427 -10.989 3.000 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.729 -11.393 3.687 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.248 -13.244 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.624 -12.986 4.248 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.056 -12.891 5.300 1.00 0.00 H new ATOM 103 N PRO A 9 -3.922 -11.597 4.828 1.00 0.00 N ATOM 104 CA PRO A 9 -2.776 -12.338 5.328 1.00 0.00 C ATOM 105 C PRO A 9 -1.742 -11.397 5.948 1.00 0.00 C ATOM 106 O PRO A 9 -2.076 -10.289 6.365 1.00 0.00 O ATOM 107 CB PRO A 9 -2.243 -13.100 4.126 1.00 0.00 C ATOM 108 CG PRO A 9 -2.818 -12.402 2.904 1.00 0.00 C ATOM 109 CD PRO A 9 -3.938 -11.486 3.373 1.00 0.00 C ATOM 0 HA PRO A 9 -3.039 -13.025 6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.153 -13.087 4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.549 -14.146 4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.045 -11.828 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.197 -13.133 2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.769 -10.458 3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.900 -11.794 2.963 1.00 0.00 H new ATOM 117 N SER A 10 -0.505 -11.870 5.987 1.00 0.00 N ATOM 118 CA SER A 10 0.580 -11.084 6.548 1.00 0.00 C ATOM 119 C SER A 10 1.267 -10.278 5.444 1.00 0.00 C ATOM 120 O SER A 10 1.523 -9.086 5.607 1.00 0.00 O ATOM 121 CB SER A 10 1.596 -11.977 7.261 1.00 0.00 C ATOM 122 OG SER A 10 1.175 -12.317 8.579 1.00 0.00 O ATOM 0 H SER A 10 -0.230 -12.789 5.639 1.00 0.00 H new ATOM 0 HA SER A 10 0.160 -10.398 7.284 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.747 -12.888 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.558 -11.466 7.308 1.00 0.00 H new ATOM 0 HG SER A 10 1.850 -12.889 9.001 1.00 0.00 H new ATOM 128 N SER A 11 1.544 -10.960 4.342 1.00 0.00 N ATOM 129 CA SER A 11 2.195 -10.322 3.211 1.00 0.00 C ATOM 130 C SER A 11 3.529 -9.712 3.650 1.00 0.00 C ATOM 131 O SER A 11 3.908 -9.814 4.815 1.00 0.00 O ATOM 132 CB SER A 11 1.299 -9.248 2.592 1.00 0.00 C ATOM 133 OG SER A 11 1.441 -7.992 3.247 1.00 0.00 O ATOM 0 H SER A 11 1.329 -11.948 4.209 1.00 0.00 H new ATOM 0 HA SER A 11 2.382 -11.082 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.544 -9.136 1.536 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.259 -9.569 2.645 1.00 0.00 H new ATOM 0 HG SER A 11 1.433 -8.127 4.218 1.00 0.00 H new ATOM 139 N GLY A 12 4.203 -9.091 2.693 1.00 0.00 N ATOM 140 CA GLY A 12 5.484 -8.464 2.968 1.00 0.00 C ATOM 141 C GLY A 12 6.600 -9.509 3.049 1.00 0.00 C ATOM 142 O GLY A 12 7.651 -9.351 2.429 1.00 0.00 O ATOM 0 H GLY A 12 3.886 -9.009 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.714 -7.741 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.429 -7.912 3.906 1.00 0.00 H new ATOM 146 N LEU A 13 6.332 -10.552 3.820 1.00 0.00 N ATOM 147 CA LEU A 13 7.298 -11.623 3.991 1.00 0.00 C ATOM 148 C LEU A 13 7.547 -12.303 2.642 1.00 0.00 C ATOM 149 O LEU A 13 8.554 -12.988 2.465 1.00 0.00 O ATOM 150 CB LEU A 13 6.843 -12.586 5.088 1.00 0.00 C ATOM 151 CG LEU A 13 5.410 -13.108 4.971 1.00 0.00 C ATOM 152 CD1 LEU A 13 5.394 -14.605 4.658 1.00 0.00 C ATOM 153 CD2 LEU A 13 4.601 -12.777 6.227 1.00 0.00 C ATOM 0 H LEU A 13 5.460 -10.678 4.333 1.00 0.00 H new ATOM 0 HA LEU A 13 8.254 -11.221 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.520 -13.440 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.948 -12.085 6.050 1.00 0.00 H new ATOM 0 HG LEU A 13 4.930 -12.600 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.363 -14.949 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.909 -14.785 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.899 -15.149 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.586 -13.159 6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.071 -13.239 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.569 -11.696 6.365 1.00 0.00 H new ATOM 165 N SER A 14 6.616 -12.087 1.727 1.00 0.00 N ATOM 166 CA SER A 14 6.720 -12.667 0.399 1.00 0.00 C ATOM 167 C SER A 14 6.648 -11.568 -0.662 1.00 0.00 C ATOM 168 O SER A 14 5.562 -11.110 -1.012 1.00 0.00 O ATOM 169 CB SER A 14 5.621 -13.706 0.165 1.00 0.00 C ATOM 170 OG SER A 14 6.156 -14.982 -0.171 1.00 0.00 O ATOM 0 H SER A 14 5.784 -11.517 1.879 1.00 0.00 H new ATOM 0 HA SER A 14 7.683 -13.172 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.009 -13.795 1.062 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.965 -13.366 -0.636 1.00 0.00 H new ATOM 0 HG SER A 14 5.423 -15.617 -0.311 1.00 0.00 H new ATOM 176 N ASP A 15 7.818 -11.175 -1.142 1.00 0.00 N ATOM 177 CA ASP A 15 7.901 -10.138 -2.155 1.00 0.00 C ATOM 178 C ASP A 15 7.162 -10.599 -3.414 1.00 0.00 C ATOM 179 O ASP A 15 7.786 -11.037 -4.379 1.00 0.00 O ATOM 180 CB ASP A 15 9.355 -9.856 -2.538 1.00 0.00 C ATOM 181 CG ASP A 15 9.546 -9.148 -3.880 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.847 -8.133 -4.092 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.385 -9.639 -4.668 1.00 0.00 O ATOM 0 H ASP A 15 8.717 -11.557 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 15 7.453 -9.232 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.809 -9.248 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.898 -10.801 -2.563 1.00 0.00 H new ATOM 189 N GLY A 16 5.844 -10.484 -3.362 1.00 0.00 N ATOM 190 CA GLY A 16 5.013 -10.884 -4.486 1.00 0.00 C ATOM 191 C GLY A 16 3.918 -11.855 -4.040 1.00 0.00 C ATOM 192 O GLY A 16 3.569 -12.781 -4.770 1.00 0.00 O ATOM 0 H GLY A 16 5.330 -10.120 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.560 -10.003 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.631 -11.354 -5.251 1.00 0.00 H new ATOM 196 N THR A 17 3.405 -11.610 -2.844 1.00 0.00 N ATOM 197 CA THR A 17 2.356 -12.450 -2.291 1.00 0.00 C ATOM 198 C THR A 17 0.979 -11.883 -2.638 1.00 0.00 C ATOM 199 O THR A 17 0.733 -10.691 -2.462 1.00 0.00 O ATOM 200 CB THR A 17 2.599 -12.580 -0.786 1.00 0.00 C ATOM 201 OG1 THR A 17 2.636 -13.987 -0.559 1.00 0.00 O ATOM 202 CG2 THR A 17 1.402 -12.102 0.042 1.00 0.00 C ATOM 0 H THR A 17 3.697 -10.841 -2.241 1.00 0.00 H new ATOM 0 HA THR A 17 2.379 -13.449 -2.726 1.00 0.00 H new ATOM 0 HB THR A 17 3.485 -12.008 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.791 -14.161 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.625 -12.215 1.103 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.204 -11.053 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.524 -12.698 -0.210 1.00 0.00 H new ATOM 210 N VAL A 18 0.118 -12.764 -3.127 1.00 0.00 N ATOM 211 CA VAL A 18 -1.229 -12.365 -3.501 1.00 0.00 C ATOM 212 C VAL A 18 -2.116 -12.348 -2.254 1.00 0.00 C ATOM 213 O VAL A 18 -2.317 -13.380 -1.617 1.00 0.00 O ATOM 214 CB VAL A 18 -1.761 -13.286 -4.600 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.690 -12.527 -5.551 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.612 -13.943 -5.367 1.00 0.00 C ATOM 0 H VAL A 18 0.327 -13.752 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.228 -11.356 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.342 -14.075 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.054 -13.205 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.535 -12.127 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.143 -11.707 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.017 -14.593 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.007 -13.172 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.006 -14.533 -4.679 1.00 0.00 H new ATOM 226 N VAL A 19 -2.624 -11.163 -1.946 1.00 0.00 N ATOM 227 CA VAL A 19 -3.486 -10.999 -0.786 1.00 0.00 C ATOM 228 C VAL A 19 -4.723 -10.194 -1.187 1.00 0.00 C ATOM 229 O VAL A 19 -4.816 -9.711 -2.314 1.00 0.00 O ATOM 230 CB VAL A 19 -2.701 -10.358 0.362 1.00 0.00 C ATOM 231 CG1 VAL A 19 -1.252 -10.848 0.376 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.763 -8.831 0.283 1.00 0.00 C ATOM 0 H VAL A 19 -2.456 -10.309 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.831 -11.968 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.167 -10.664 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.717 -10.378 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.235 -11.930 0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.770 -10.586 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.198 -8.401 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.334 -8.498 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.801 -8.505 0.345 1.00 0.00 H new ATOM 242 N LYS A 20 -5.643 -10.077 -0.240 1.00 0.00 N ATOM 243 CA LYS A 20 -6.874 -9.341 -0.481 1.00 0.00 C ATOM 244 C LYS A 20 -6.930 -8.134 0.458 1.00 0.00 C ATOM 245 O LYS A 20 -6.816 -8.283 1.674 1.00 0.00 O ATOM 246 CB LYS A 20 -8.086 -10.266 -0.368 1.00 0.00 C ATOM 247 CG LYS A 20 -9.233 -9.781 -1.255 1.00 0.00 C ATOM 248 CD LYS A 20 -10.282 -10.878 -1.444 1.00 0.00 C ATOM 249 CE LYS A 20 -11.470 -10.667 -0.501 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.289 -11.897 -0.418 1.00 0.00 N ATOM 0 H LYS A 20 -5.561 -10.479 0.694 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.894 -8.956 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.803 -11.278 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.418 -10.310 0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.697 -8.902 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.842 -9.475 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.629 -10.881 -2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.832 -11.853 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.111 -10.394 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.082 -9.838 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.091 -11.738 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.647 -12.140 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.706 -12.679 -0.057 1.00 0.00 H new ATOM 264 N VAL A 21 -7.111 -6.964 -0.141 1.00 0.00 N ATOM 265 CA VAL A 21 -7.183 -5.734 0.627 1.00 0.00 C ATOM 266 C VAL A 21 -8.653 -5.371 0.858 1.00 0.00 C ATOM 267 O VAL A 21 -9.227 -4.585 0.104 1.00 0.00 O ATOM 268 CB VAL A 21 -6.397 -4.627 -0.080 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.439 -3.327 0.723 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.954 -5.063 -0.345 1.00 0.00 C ATOM 0 H VAL A 21 -7.210 -6.844 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.721 -5.866 1.605 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.872 -4.441 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.873 -2.557 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.473 -3.003 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.000 -3.493 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.417 -4.259 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.463 -5.290 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.952 -5.951 -0.977 1.00 0.00 H new ATOM 280 N ALA A 22 -9.217 -5.958 1.902 1.00 0.00 N ATOM 281 CA ALA A 22 -10.607 -5.706 2.242 1.00 0.00 C ATOM 282 C ALA A 22 -10.677 -4.603 3.300 1.00 0.00 C ATOM 283 O ALA A 22 -10.024 -4.693 4.341 1.00 0.00 O ATOM 284 CB ALA A 22 -11.262 -7.006 2.709 1.00 0.00 C ATOM 0 H ALA A 22 -8.737 -6.608 2.524 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.159 -5.359 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.305 -6.817 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.212 -7.746 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.737 -7.383 3.586 1.00 0.00 H new ATOM 290 N GLY A 23 -11.473 -3.587 3.000 1.00 0.00 N ATOM 291 CA GLY A 23 -11.637 -2.470 3.914 1.00 0.00 C ATOM 292 C GLY A 23 -13.111 -2.085 4.053 1.00 0.00 C ATOM 293 O GLY A 23 -13.767 -1.759 3.065 1.00 0.00 O ATOM 0 H GLY A 23 -12.011 -3.514 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.233 -2.733 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.067 -1.614 3.553 1.00 0.00 H new ATOM 297 N ALA A 24 -13.589 -2.138 5.288 1.00 0.00 N ATOM 298 CA ALA A 24 -14.975 -1.800 5.568 1.00 0.00 C ATOM 299 C ALA A 24 -15.033 -0.432 6.251 1.00 0.00 C ATOM 300 O ALA A 24 -14.443 -0.239 7.314 1.00 0.00 O ATOM 301 CB ALA A 24 -15.608 -2.903 6.418 1.00 0.00 C ATOM 0 H ALA A 24 -13.042 -2.410 6.105 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.548 -1.732 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.647 -2.649 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.567 -3.848 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.061 -2.998 7.356 1.00 0.00 H new ATOM 307 N GLY A 25 -15.748 0.484 5.615 1.00 0.00 N ATOM 308 CA GLY A 25 -15.892 1.826 6.147 1.00 0.00 C ATOM 309 C GLY A 25 -14.975 2.808 5.413 1.00 0.00 C ATOM 310 O GLY A 25 -14.943 3.996 5.735 1.00 0.00 O ATOM 0 H GLY A 25 -16.235 0.321 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.928 2.150 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.655 1.827 7.211 1.00 0.00 H new ATOM 314 N LEU A 26 -14.248 2.276 4.440 1.00 0.00 N ATOM 315 CA LEU A 26 -13.333 3.089 3.659 1.00 0.00 C ATOM 316 C LEU A 26 -14.130 3.924 2.654 1.00 0.00 C ATOM 317 O LEU A 26 -15.166 4.492 2.995 1.00 0.00 O ATOM 318 CB LEU A 26 -12.255 2.215 3.015 1.00 0.00 C ATOM 319 CG LEU A 26 -10.902 2.887 2.774 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.498 3.752 3.970 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.829 1.853 2.429 1.00 0.00 C ATOM 0 H LEU A 26 -14.275 1.291 4.176 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.800 3.788 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.097 1.342 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.633 1.851 2.059 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.000 3.550 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.533 4.218 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.249 4.526 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.424 3.129 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.877 2.358 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.726 1.147 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.118 1.316 1.525 1.00 0.00 H new ATOM 333 N GLN A 27 -13.617 3.969 1.432 1.00 0.00 N ATOM 334 CA GLN A 27 -14.269 4.724 0.376 1.00 0.00 C ATOM 335 C GLN A 27 -15.721 4.269 0.216 1.00 0.00 C ATOM 336 O GLN A 27 -16.017 3.399 -0.602 1.00 0.00 O ATOM 337 CB GLN A 27 -13.505 4.590 -0.944 1.00 0.00 C ATOM 338 CG GLN A 27 -12.224 5.427 -0.922 1.00 0.00 C ATOM 339 CD GLN A 27 -12.485 6.817 -0.338 1.00 0.00 C ATOM 340 OE1 GLN A 27 -13.053 7.688 -0.975 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.044 6.972 0.906 1.00 0.00 N ATOM 0 H GLN A 27 -12.759 3.495 1.151 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.268 5.778 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.257 3.543 -1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.140 4.911 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.463 4.918 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.831 5.522 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.576 6.200 1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.173 7.863 1.386 1.00 0.00 H new ATOM 350 N ALA A 28 -16.587 4.877 1.011 1.00 0.00 N ATOM 351 CA ALA A 28 -18.002 4.546 0.968 1.00 0.00 C ATOM 352 C ALA A 28 -18.534 4.785 -0.446 1.00 0.00 C ATOM 353 O ALA A 28 -18.940 5.896 -0.782 1.00 0.00 O ATOM 354 CB ALA A 28 -18.752 5.368 2.018 1.00 0.00 C ATOM 0 H ALA A 28 -16.338 5.597 1.689 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.157 3.494 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.813 5.119 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.357 5.141 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.622 6.430 1.810 1.00 0.00 H new ATOM 360 N GLY A 29 -18.518 3.722 -1.237 1.00 0.00 N ATOM 361 CA GLY A 29 -18.994 3.800 -2.607 1.00 0.00 C ATOM 362 C GLY A 29 -18.070 4.672 -3.460 1.00 0.00 C ATOM 363 O GLY A 29 -18.375 4.963 -4.616 1.00 0.00 O ATOM 0 H GLY A 29 -18.182 2.801 -0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.051 2.799 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.004 4.211 -2.622 1.00 0.00 H new ATOM 367 N THR A 30 -16.957 5.065 -2.857 1.00 0.00 N ATOM 368 CA THR A 30 -15.986 5.897 -3.545 1.00 0.00 C ATOM 369 C THR A 30 -14.943 5.027 -4.254 1.00 0.00 C ATOM 370 O THR A 30 -15.043 3.801 -4.240 1.00 0.00 O ATOM 371 CB THR A 30 -15.380 6.861 -2.525 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.064 6.557 -1.311 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.750 8.319 -2.805 1.00 0.00 C ATOM 0 H THR A 30 -16.707 4.822 -1.899 1.00 0.00 H new ATOM 0 HA THR A 30 -16.459 6.487 -4.330 1.00 0.00 H new ATOM 0 HB THR A 30 -14.295 6.755 -2.526 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.731 7.136 -0.594 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.294 8.961 -2.051 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.386 8.603 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.834 8.432 -2.771 1.00 0.00 H new ATOM 381 N ALA A 31 -13.969 5.697 -4.853 1.00 0.00 N ATOM 382 CA ALA A 31 -12.911 4.999 -5.564 1.00 0.00 C ATOM 383 C ALA A 31 -11.574 5.684 -5.273 1.00 0.00 C ATOM 384 O ALA A 31 -11.395 6.860 -5.581 1.00 0.00 O ATOM 385 CB ALA A 31 -13.237 4.965 -7.059 1.00 0.00 C ATOM 0 H ALA A 31 -13.890 6.714 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.834 3.966 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.444 4.442 -7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.182 4.445 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.317 5.984 -7.437 1.00 0.00 H new ATOM 391 N TYR A 32 -10.668 4.914 -4.686 1.00 0.00 N ATOM 392 CA TYR A 32 -9.354 5.432 -4.351 1.00 0.00 C ATOM 393 C TYR A 32 -8.258 4.663 -5.093 1.00 0.00 C ATOM 394 O TYR A 32 -8.542 3.694 -5.794 1.00 0.00 O ATOM 395 CB TYR A 32 -9.184 5.212 -2.845 1.00 0.00 C ATOM 396 CG TYR A 32 -9.594 6.413 -1.992 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.400 7.397 -2.527 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.157 6.513 -0.687 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.786 8.527 -1.723 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.543 7.644 0.117 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.338 8.596 -0.440 1.00 0.00 C ATOM 402 OH TYR A 32 -10.702 9.664 0.319 1.00 0.00 O ATOM 0 H TYR A 32 -10.819 3.937 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.272 6.482 -4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.776 4.347 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.141 4.972 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.741 7.319 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.526 5.743 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.418 9.303 -2.129 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.208 7.734 1.140 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.310 9.579 1.213 1.00 0.00 H new ATOM 412 N ASP A 33 -7.028 5.123 -4.911 1.00 0.00 N ATOM 413 CA ASP A 33 -5.890 4.490 -5.553 1.00 0.00 C ATOM 414 C ASP A 33 -5.209 3.545 -4.561 1.00 0.00 C ATOM 415 O ASP A 33 -4.637 3.990 -3.564 1.00 0.00 O ATOM 416 CB ASP A 33 -4.860 5.532 -5.996 1.00 0.00 C ATOM 417 CG ASP A 33 -5.338 6.493 -7.085 1.00 0.00 C ATOM 418 OD1 ASP A 33 -4.585 7.450 -7.371 1.00 0.00 O ATOM 419 OD2 ASP A 33 -6.446 6.250 -7.609 1.00 0.00 O ATOM 0 H ASP A 33 -6.796 5.927 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.254 3.947 -6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.558 6.115 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.972 5.012 -6.356 1.00 0.00 H new ATOM 425 N VAL A 34 -5.293 2.258 -4.866 1.00 0.00 N ATOM 426 CA VAL A 34 -4.693 1.248 -4.014 1.00 0.00 C ATOM 427 C VAL A 34 -3.201 1.135 -4.335 1.00 0.00 C ATOM 428 O VAL A 34 -2.809 1.146 -5.501 1.00 0.00 O ATOM 429 CB VAL A 34 -5.438 -0.079 -4.172 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.567 -1.117 -4.880 1.00 0.00 C ATOM 431 CG2 VAL A 34 -5.922 -0.601 -2.816 1.00 0.00 C ATOM 0 H VAL A 34 -5.768 1.893 -5.692 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.780 1.534 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.315 0.101 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.121 -2.050 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.295 -0.750 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.663 -1.292 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.448 -1.545 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.066 -0.757 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.597 0.127 -2.366 1.00 0.00 H new ATOM 441 N GLY A 35 -2.407 1.029 -3.278 1.00 0.00 N ATOM 442 CA GLY A 35 -0.967 0.916 -3.433 1.00 0.00 C ATOM 443 C GLY A 35 -0.263 0.990 -2.077 1.00 0.00 C ATOM 444 O GLY A 35 -0.806 1.538 -1.120 1.00 0.00 O ATOM 0 H GLY A 35 -2.734 1.019 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.723 -0.027 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.603 1.714 -4.080 1.00 0.00 H new ATOM 448 N GLN A 36 0.937 0.426 -2.038 1.00 0.00 N ATOM 449 CA GLN A 36 1.721 0.421 -0.816 1.00 0.00 C ATOM 450 C GLN A 36 2.676 1.617 -0.790 1.00 0.00 C ATOM 451 O GLN A 36 3.714 1.602 -1.450 1.00 0.00 O ATOM 452 CB GLN A 36 2.487 -0.894 -0.662 1.00 0.00 C ATOM 453 CG GLN A 36 1.811 -2.019 -1.449 1.00 0.00 C ATOM 454 CD GLN A 36 2.786 -2.660 -2.437 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.313 -1.805 -3.308 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 3.044 -3.854 -2.411 1.00 0.00 N flip ATOM 0 H GLN A 36 1.384 -0.030 -2.833 1.00 0.00 H new ATOM 0 HA GLN A 36 1.038 0.508 0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.511 -0.765 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.542 -1.165 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.437 -2.776 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.949 -1.624 -1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.604 -4.456 -1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.700 -4.249 -3.085 1.00 0.00 H new ATOM 465 N CYS A 37 2.288 2.626 -0.024 1.00 0.00 N ATOM 466 CA CYS A 37 3.095 3.827 0.095 1.00 0.00 C ATOM 467 C CYS A 37 3.755 3.827 1.475 1.00 0.00 C ATOM 468 O CYS A 37 3.191 3.309 2.437 1.00 0.00 O ATOM 469 CB CYS A 37 2.267 5.092 -0.141 1.00 0.00 C ATOM 470 SG CYS A 37 3.219 6.534 -0.742 1.00 0.00 S ATOM 0 H CYS A 37 1.425 2.636 0.520 1.00 0.00 H new ATOM 0 HA CYS A 37 3.865 3.828 -0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.483 4.866 -0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.773 5.364 0.791 1.00 0.00 H new ATOM 475 N ALA A 38 4.939 4.418 1.529 1.00 0.00 N ATOM 476 CA ALA A 38 5.683 4.492 2.775 1.00 0.00 C ATOM 477 C ALA A 38 6.992 5.249 2.539 1.00 0.00 C ATOM 478 O ALA A 38 7.377 5.488 1.396 1.00 0.00 O ATOM 479 CB ALA A 38 5.914 3.079 3.319 1.00 0.00 C ATOM 0 H ALA A 38 5.402 4.850 0.730 1.00 0.00 H new ATOM 0 HA ALA A 38 5.117 5.041 3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.472 3.136 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.953 2.597 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.481 2.498 2.592 1.00 0.00 H new ATOM 485 N TRP A 39 7.639 5.603 3.639 1.00 0.00 N ATOM 486 CA TRP A 39 8.899 6.327 3.567 1.00 0.00 C ATOM 487 C TRP A 39 9.957 5.380 3.002 1.00 0.00 C ATOM 488 O TRP A 39 10.347 4.416 3.660 1.00 0.00 O ATOM 489 CB TRP A 39 9.278 6.904 4.933 1.00 0.00 C ATOM 490 CG TRP A 39 9.633 5.845 5.978 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.812 4.973 6.581 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.942 5.577 6.524 1.00 0.00 C ATOM 493 NE1 TRP A 39 9.492 4.168 7.471 1.00 0.00 N ATOM 494 CE2 TRP A 39 10.830 4.547 7.435 1.00 0.00 C ATOM 495 CE3 TRP A 39 12.180 6.187 6.255 1.00 0.00 C ATOM 496 CZ2 TRP A 39 11.917 4.036 8.151 1.00 0.00 C ATOM 497 CZ3 TRP A 39 13.259 5.664 6.981 1.00 0.00 C ATOM 498 CH2 TRP A 39 13.161 4.628 7.902 1.00 0.00 C ATOM 0 H TRP A 39 7.316 5.403 4.585 1.00 0.00 H new ATOM 0 HA TRP A 39 8.813 7.187 2.902 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.127 7.577 4.809 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.448 7.504 5.306 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.750 4.909 6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.088 3.431 8.049 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.291 6.994 5.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.803 3.228 8.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 14.234 6.096 6.813 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.041 4.281 8.423 1.00 0.00 H new ATOM 509 N VAL A 40 10.391 5.686 1.787 1.00 0.00 N ATOM 510 CA VAL A 40 11.397 4.872 1.126 1.00 0.00 C ATOM 511 C VAL A 40 12.778 5.488 1.359 1.00 0.00 C ATOM 512 O VAL A 40 13.729 4.783 1.688 1.00 0.00 O ATOM 513 CB VAL A 40 11.053 4.717 -0.356 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.884 5.675 -1.215 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.238 3.269 -0.814 1.00 0.00 C ATOM 0 H VAL A 40 10.064 6.485 1.244 1.00 0.00 H new ATOM 0 HA VAL A 40 11.414 3.867 1.548 1.00 0.00 H new ATOM 0 HB VAL A 40 10.002 4.977 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.620 5.545 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.680 6.703 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.944 5.460 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.987 3.187 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.275 2.969 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.584 2.618 -0.234 1.00 0.00 H new ATOM 525 N ASP A 41 12.844 6.798 1.178 1.00 0.00 N ATOM 526 CA ASP A 41 14.093 7.518 1.364 1.00 0.00 C ATOM 527 C ASP A 41 14.175 8.027 2.805 1.00 0.00 C ATOM 528 O ASP A 41 13.545 7.465 3.702 1.00 0.00 O ATOM 529 CB ASP A 41 14.175 8.730 0.432 1.00 0.00 C ATOM 530 CG ASP A 41 15.515 8.904 -0.286 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.483 9.395 -1.434 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.540 8.539 0.332 1.00 0.00 O ATOM 0 H ASP A 41 12.053 7.381 0.904 1.00 0.00 H new ATOM 0 HA ASP A 41 14.912 6.834 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.387 8.648 -0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.971 9.630 1.012 1.00 0.00 H new ATOM 538 N THR A 42 14.953 9.084 2.983 1.00 0.00 N ATOM 539 CA THR A 42 15.124 9.673 4.301 1.00 0.00 C ATOM 540 C THR A 42 13.905 10.520 4.669 1.00 0.00 C ATOM 541 O THR A 42 13.791 11.669 4.240 1.00 0.00 O ATOM 542 CB THR A 42 16.435 10.461 4.298 1.00 0.00 C ATOM 543 OG1 THR A 42 16.816 10.506 5.671 1.00 0.00 O ATOM 544 CG2 THR A 42 16.234 11.931 3.920 1.00 0.00 C ATOM 0 H THR A 42 15.472 9.548 2.237 1.00 0.00 H new ATOM 0 HA THR A 42 15.191 8.906 5.073 1.00 0.00 H new ATOM 0 HB THR A 42 17.134 9.999 3.601 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.659 10.998 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.195 12.445 3.933 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.802 11.994 2.921 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.561 12.402 4.636 1.00 0.00 H new ATOM 552 N GLY A 43 13.024 9.923 5.457 1.00 0.00 N ATOM 553 CA GLY A 43 11.818 10.608 5.887 1.00 0.00 C ATOM 554 C GLY A 43 11.011 11.103 4.685 1.00 0.00 C ATOM 555 O GLY A 43 10.198 12.016 4.814 1.00 0.00 O ATOM 0 H GLY A 43 13.122 8.971 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.207 9.934 6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.082 11.452 6.525 1.00 0.00 H new ATOM 559 N VAL A 44 11.263 10.478 3.546 1.00 0.00 N ATOM 560 CA VAL A 44 10.569 10.840 2.322 1.00 0.00 C ATOM 561 C VAL A 44 9.538 9.764 1.985 1.00 0.00 C ATOM 562 O VAL A 44 9.896 8.620 1.711 1.00 0.00 O ATOM 563 CB VAL A 44 11.580 11.073 1.196 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.880 11.544 -0.081 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.662 12.067 1.626 1.00 0.00 C ATOM 0 H VAL A 44 11.940 9.721 3.444 1.00 0.00 H new ATOM 0 HA VAL A 44 10.028 11.777 2.455 1.00 0.00 H new ATOM 0 HB VAL A 44 12.066 10.121 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.621 11.702 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.165 10.787 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.355 12.479 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.367 12.214 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.199 13.020 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.191 11.675 2.495 1.00 0.00 H new ATOM 575 N LEU A 45 8.275 10.167 2.017 1.00 0.00 N ATOM 576 CA LEU A 45 7.189 9.251 1.718 1.00 0.00 C ATOM 577 C LEU A 45 7.212 8.907 0.229 1.00 0.00 C ATOM 578 O LEU A 45 6.806 9.715 -0.603 1.00 0.00 O ATOM 579 CB LEU A 45 5.855 9.829 2.197 1.00 0.00 C ATOM 580 CG LEU A 45 4.891 8.836 2.853 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.244 9.445 4.099 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.850 8.341 1.849 1.00 0.00 C ATOM 0 H LEU A 45 7.981 11.117 2.246 1.00 0.00 H new ATOM 0 HA LEU A 45 7.318 8.315 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.062 10.628 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.352 10.284 1.344 1.00 0.00 H new ATOM 0 HG LEU A 45 5.462 7.967 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.564 8.720 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.019 9.709 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.688 10.340 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.177 7.637 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.277 9.188 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.352 7.844 1.019 1.00 0.00 H new ATOM 594 N ALA A 46 7.688 7.705 -0.061 1.00 0.00 N ATOM 595 CA ALA A 46 7.769 7.245 -1.437 1.00 0.00 C ATOM 596 C ALA A 46 6.782 6.095 -1.644 1.00 0.00 C ATOM 597 O ALA A 46 6.690 5.194 -0.812 1.00 0.00 O ATOM 598 CB ALA A 46 9.210 6.842 -1.757 1.00 0.00 C ATOM 0 H ALA A 46 8.021 7.036 0.633 1.00 0.00 H new ATOM 0 HA ALA A 46 7.494 8.044 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.271 6.497 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.867 7.702 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.521 6.040 -1.087 1.00 0.00 H new ATOM 604 N CYS A 47 6.071 6.161 -2.759 1.00 0.00 N ATOM 605 CA CYS A 47 5.093 5.135 -3.086 1.00 0.00 C ATOM 606 C CYS A 47 5.751 4.129 -4.032 1.00 0.00 C ATOM 607 O CYS A 47 6.707 4.464 -4.732 1.00 0.00 O ATOM 608 CB CYS A 47 3.821 5.738 -3.687 1.00 0.00 C ATOM 609 SG CYS A 47 3.023 7.024 -2.659 1.00 0.00 S ATOM 0 H CYS A 47 6.152 6.908 -3.448 1.00 0.00 H new ATOM 0 HA CYS A 47 4.779 4.624 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.063 6.168 -4.659 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.104 4.936 -3.863 1.00 0.00 H new ATOM 614 N ASN A 48 5.215 2.920 -4.025 1.00 0.00 N ATOM 615 CA ASN A 48 5.736 1.863 -4.874 1.00 0.00 C ATOM 616 C ASN A 48 5.191 2.037 -6.294 1.00 0.00 C ATOM 617 O ASN A 48 4.184 2.715 -6.495 1.00 0.00 O ATOM 618 CB ASN A 48 5.305 0.485 -4.368 1.00 0.00 C ATOM 619 CG ASN A 48 5.657 0.309 -2.890 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.393 1.298 -2.388 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 5.285 -0.661 -2.247 1.00 0.00 N flip ATOM 0 H ASN A 48 4.423 2.647 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 48 6.824 1.928 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.231 0.362 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.793 -0.292 -4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.722 -1.384 -2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.537 -0.748 -1.263 1.00 0.00 H new ATOM 628 N PRO A 49 5.896 1.398 -7.264 1.00 0.00 N ATOM 629 CA PRO A 49 5.493 1.475 -8.657 1.00 0.00 C ATOM 630 C PRO A 49 4.267 0.600 -8.923 1.00 0.00 C ATOM 631 O PRO A 49 3.630 0.719 -9.970 1.00 0.00 O ATOM 632 CB PRO A 49 6.716 1.039 -9.447 1.00 0.00 C ATOM 633 CG PRO A 49 7.602 0.292 -8.461 1.00 0.00 C ATOM 634 CD PRO A 49 7.092 0.586 -7.061 1.00 0.00 C ATOM 0 HA PRO A 49 5.184 2.479 -8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.434 0.398 -10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.237 1.899 -9.867 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.575 -0.779 -8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.640 0.610 -8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.860 -0.333 -6.523 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.838 1.120 -6.472 1.00 0.00 H new ATOM 642 N ALA A 50 3.971 -0.258 -7.958 1.00 0.00 N ATOM 643 CA ALA A 50 2.833 -1.153 -8.076 1.00 0.00 C ATOM 644 C ALA A 50 1.722 -0.684 -7.134 1.00 0.00 C ATOM 645 O ALA A 50 0.774 -1.422 -6.869 1.00 0.00 O ATOM 646 CB ALA A 50 3.278 -2.586 -7.783 1.00 0.00 C ATOM 0 H ALA A 50 4.500 -0.352 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 50 2.435 -1.136 -9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.424 -3.257 -7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.047 -2.881 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.681 -2.642 -6.772 1.00 0.00 H new ATOM 652 N ASP A 51 1.878 0.541 -6.650 1.00 0.00 N ATOM 653 CA ASP A 51 0.900 1.116 -5.744 1.00 0.00 C ATOM 654 C ASP A 51 -0.192 1.815 -6.554 1.00 0.00 C ATOM 655 O ASP A 51 -0.988 2.575 -6.006 1.00 0.00 O ATOM 656 CB ASP A 51 1.545 2.156 -4.825 1.00 0.00 C ATOM 657 CG ASP A 51 0.943 3.560 -4.913 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.146 3.892 -4.009 1.00 0.00 O ATOM 659 OD2 ASP A 51 1.293 4.267 -5.883 1.00 0.00 O ATOM 0 H ASP A 51 2.667 1.150 -6.869 1.00 0.00 H new ATOM 0 HA ASP A 51 0.485 0.309 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.466 1.807 -3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.608 2.217 -5.060 1.00 0.00 H new ATOM 665 N PHE A 52 -0.194 1.534 -7.849 1.00 0.00 N ATOM 666 CA PHE A 52 -1.176 2.127 -8.742 1.00 0.00 C ATOM 667 C PHE A 52 -2.241 1.104 -9.142 1.00 0.00 C ATOM 668 O PHE A 52 -2.101 0.419 -10.154 1.00 0.00 O ATOM 669 CB PHE A 52 -0.424 2.580 -9.996 1.00 0.00 C ATOM 670 CG PHE A 52 0.958 3.169 -9.712 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.098 4.170 -8.805 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.050 2.689 -10.369 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.380 4.718 -8.541 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.333 3.236 -10.105 1.00 0.00 C ATOM 675 CZ PHE A 52 3.472 4.240 -9.198 1.00 0.00 C ATOM 0 H PHE A 52 0.468 0.904 -8.301 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.677 2.958 -8.246 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.314 1.729 -10.669 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.025 3.324 -10.519 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.232 4.550 -8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.940 1.893 -11.090 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.489 5.514 -7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.199 2.855 -10.625 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.448 4.658 -8.999 1.00 0.00 H new ATOM 685 N SER A 53 -3.284 1.033 -8.329 1.00 0.00 N ATOM 686 CA SER A 53 -4.374 0.104 -8.584 1.00 0.00 C ATOM 687 C SER A 53 -5.689 0.684 -8.064 1.00 0.00 C ATOM 688 O SER A 53 -6.111 0.371 -6.952 1.00 0.00 O ATOM 689 CB SER A 53 -4.099 -1.257 -7.939 1.00 0.00 C ATOM 690 OG SER A 53 -4.007 -2.298 -8.909 1.00 0.00 O ATOM 0 H SER A 53 -3.399 1.604 -7.492 1.00 0.00 H new ATOM 0 HA SER A 53 -4.453 -0.044 -9.661 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.170 -1.208 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.894 -1.490 -7.231 1.00 0.00 H new ATOM 0 HG SER A 53 -3.189 -2.816 -8.756 1.00 0.00 H new ATOM 696 N SER A 54 -6.299 1.520 -8.890 1.00 0.00 N ATOM 697 CA SER A 54 -7.559 2.147 -8.529 1.00 0.00 C ATOM 698 C SER A 54 -8.554 1.086 -8.057 1.00 0.00 C ATOM 699 O SER A 54 -8.672 0.023 -8.667 1.00 0.00 O ATOM 700 CB SER A 54 -8.140 2.937 -9.703 1.00 0.00 C ATOM 701 OG SER A 54 -8.782 2.088 -10.650 1.00 0.00 O ATOM 0 H SER A 54 -5.943 1.779 -9.810 1.00 0.00 H new ATOM 0 HA SER A 54 -7.371 2.848 -7.715 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.855 3.669 -9.329 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.343 3.493 -10.196 1.00 0.00 H new ATOM 0 HG SER A 54 -9.142 2.629 -11.384 1.00 0.00 H new ATOM 707 N VAL A 55 -9.249 1.410 -6.976 1.00 0.00 N ATOM 708 CA VAL A 55 -10.231 0.496 -6.415 1.00 0.00 C ATOM 709 C VAL A 55 -11.433 1.295 -5.912 1.00 0.00 C ATOM 710 O VAL A 55 -11.375 2.521 -5.823 1.00 0.00 O ATOM 711 CB VAL A 55 -9.585 -0.363 -5.326 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.533 -1.301 -5.921 1.00 0.00 C ATOM 713 CG2 VAL A 55 -8.984 0.510 -4.225 1.00 0.00 C ATOM 0 H VAL A 55 -9.152 2.292 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.594 -0.192 -7.179 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.365 -0.978 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.089 -1.900 -5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.004 -1.959 -6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.756 -0.713 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.531 -0.125 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.223 1.162 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.769 1.116 -3.772 1.00 0.00 H new ATOM 723 N THR A 56 -12.495 0.569 -5.596 1.00 0.00 N ATOM 724 CA THR A 56 -13.711 1.196 -5.104 1.00 0.00 C ATOM 725 C THR A 56 -14.320 0.365 -3.972 1.00 0.00 C ATOM 726 O THR A 56 -14.307 -0.864 -4.024 1.00 0.00 O ATOM 727 CB THR A 56 -14.656 1.390 -6.290 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.636 2.796 -6.525 1.00 0.00 O ATOM 729 CG2 THR A 56 -16.116 1.093 -5.932 1.00 0.00 C ATOM 0 H THR A 56 -12.539 -0.447 -5.671 1.00 0.00 H new ATOM 0 HA THR A 56 -13.504 2.175 -4.671 1.00 0.00 H new ATOM 0 HB THR A 56 -14.345 0.744 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.146 3.252 -5.823 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.744 1.246 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.206 0.059 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.438 1.762 -5.134 1.00 0.00 H new ATOM 737 N ALA A 57 -14.836 1.068 -2.977 1.00 0.00 N ATOM 738 CA ALA A 57 -15.449 0.410 -1.834 1.00 0.00 C ATOM 739 C ALA A 57 -16.970 0.551 -1.923 1.00 0.00 C ATOM 740 O ALA A 57 -17.483 1.648 -2.141 1.00 0.00 O ATOM 741 CB ALA A 57 -14.885 1.003 -0.541 1.00 0.00 C ATOM 0 H ALA A 57 -14.843 2.087 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.216 -0.655 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.344 0.510 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.806 0.851 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.103 2.070 -0.505 1.00 0.00 H new ATOM 747 N ASP A 58 -17.646 -0.574 -1.752 1.00 0.00 N ATOM 748 CA ASP A 58 -19.099 -0.590 -1.810 1.00 0.00 C ATOM 749 C ASP A 58 -19.653 0.539 -0.938 1.00 0.00 C ATOM 750 O ASP A 58 -18.968 1.030 -0.044 1.00 0.00 O ATOM 751 CB ASP A 58 -19.657 -1.913 -1.282 1.00 0.00 C ATOM 752 CG ASP A 58 -18.770 -3.136 -1.530 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.090 -4.195 -0.951 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.791 -2.981 -2.293 1.00 0.00 O ATOM 0 H ASP A 58 -17.216 -1.481 -1.573 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.396 -0.463 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.825 -1.817 -0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.629 -2.089 -1.742 1.00 0.00 H new ATOM 760 N ALA A 59 -20.888 0.918 -1.232 1.00 0.00 N ATOM 761 CA ALA A 59 -21.543 1.978 -0.485 1.00 0.00 C ATOM 762 C ALA A 59 -21.243 1.807 1.006 1.00 0.00 C ATOM 763 O ALA A 59 -21.205 2.785 1.751 1.00 0.00 O ATOM 764 CB ALA A 59 -23.043 1.964 -0.785 1.00 0.00 C ATOM 0 H ALA A 59 -21.452 0.510 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.161 2.953 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.534 2.760 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.202 2.121 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.463 1.002 -0.493 1.00 0.00 H new ATOM 770 N ASN A 60 -21.039 0.559 1.395 1.00 0.00 N ATOM 771 CA ASN A 60 -20.745 0.246 2.784 1.00 0.00 C ATOM 772 C ASN A 60 -19.232 0.319 3.008 1.00 0.00 C ATOM 773 O ASN A 60 -18.682 -0.442 3.802 1.00 0.00 O ATOM 774 CB ASN A 60 -21.207 -1.166 3.141 1.00 0.00 C ATOM 775 CG ASN A 60 -21.409 -1.313 4.651 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.688 -0.360 5.361 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.252 -2.554 5.100 1.00 0.00 N ATOM 0 H ASN A 60 -21.071 -0.249 0.773 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.271 0.966 3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.140 -1.389 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.470 -1.891 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.365 -2.755 6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.019 -3.305 4.451 1.00 0.00 H new ATOM 784 N GLY A 61 -18.605 1.245 2.297 1.00 0.00 N ATOM 785 CA GLY A 61 -17.168 1.429 2.410 1.00 0.00 C ATOM 786 C GLY A 61 -16.442 0.081 2.414 1.00 0.00 C ATOM 787 O GLY A 61 -15.515 -0.126 3.196 1.00 0.00 O ATOM 0 H GLY A 61 -19.066 1.876 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.809 2.037 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.938 1.973 3.326 1.00 0.00 H new ATOM 791 N SER A 62 -16.893 -0.800 1.535 1.00 0.00 N ATOM 792 CA SER A 62 -16.298 -2.123 1.427 1.00 0.00 C ATOM 793 C SER A 62 -15.412 -2.198 0.182 1.00 0.00 C ATOM 794 O SER A 62 -15.903 -2.436 -0.920 1.00 0.00 O ATOM 795 CB SER A 62 -17.375 -3.208 1.381 1.00 0.00 C ATOM 796 OG SER A 62 -18.647 -2.717 1.790 1.00 0.00 O ATOM 0 H SER A 62 -17.664 -0.625 0.890 1.00 0.00 H new ATOM 0 HA SER A 62 -15.684 -2.297 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.448 -3.603 0.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.082 -4.037 2.026 1.00 0.00 H new ATOM 0 HG SER A 62 -19.307 -3.440 1.745 1.00 0.00 H new ATOM 802 N ALA A 63 -14.122 -1.993 0.399 1.00 0.00 N ATOM 803 CA ALA A 63 -13.163 -2.035 -0.692 1.00 0.00 C ATOM 804 C ALA A 63 -12.367 -3.339 -0.615 1.00 0.00 C ATOM 805 O ALA A 63 -11.424 -3.449 0.169 1.00 0.00 O ATOM 806 CB ALA A 63 -12.264 -0.798 -0.629 1.00 0.00 C ATOM 0 H ALA A 63 -13.718 -1.797 1.315 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.675 -2.018 -1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.544 -0.829 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.875 0.101 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.732 -0.783 0.322 1.00 0.00 H new ATOM 812 N SER A 64 -12.775 -4.292 -1.437 1.00 0.00 N ATOM 813 CA SER A 64 -12.110 -5.584 -1.473 1.00 0.00 C ATOM 814 C SER A 64 -11.275 -5.710 -2.748 1.00 0.00 C ATOM 815 O SER A 64 -11.710 -6.320 -3.722 1.00 0.00 O ATOM 816 CB SER A 64 -13.124 -6.729 -1.388 1.00 0.00 C ATOM 817 OG SER A 64 -14.130 -6.624 -2.392 1.00 0.00 O ATOM 0 H SER A 64 -13.558 -4.197 -2.084 1.00 0.00 H new ATOM 0 HA SER A 64 -11.451 -5.652 -0.607 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.605 -7.682 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.592 -6.727 -0.404 1.00 0.00 H new ATOM 0 HG SER A 64 -13.707 -6.490 -3.266 1.00 0.00 H new ATOM 823 N THR A 65 -10.088 -5.121 -2.699 1.00 0.00 N ATOM 824 CA THR A 65 -9.187 -5.160 -3.838 1.00 0.00 C ATOM 825 C THR A 65 -8.013 -6.099 -3.559 1.00 0.00 C ATOM 826 O THR A 65 -7.268 -5.899 -2.602 1.00 0.00 O ATOM 827 CB THR A 65 -8.757 -3.723 -4.149 1.00 0.00 C ATOM 828 OG1 THR A 65 -7.775 -3.869 -5.172 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.993 -3.079 -2.989 1.00 0.00 C ATOM 0 H THR A 65 -9.730 -4.615 -1.889 1.00 0.00 H new ATOM 0 HA THR A 65 -9.682 -5.565 -4.720 1.00 0.00 H new ATOM 0 HB THR A 65 -9.636 -3.123 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.889 -3.960 -4.764 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.711 -2.062 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.628 -3.056 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.096 -3.660 -2.777 1.00 0.00 H new ATOM 837 N SER A 66 -7.885 -7.104 -4.413 1.00 0.00 N ATOM 838 CA SER A 66 -6.815 -8.076 -4.270 1.00 0.00 C ATOM 839 C SER A 66 -5.621 -7.672 -5.140 1.00 0.00 C ATOM 840 O SER A 66 -5.793 -7.306 -6.302 1.00 0.00 O ATOM 841 CB SER A 66 -7.292 -9.482 -4.643 1.00 0.00 C ATOM 842 OG SER A 66 -7.441 -9.637 -6.051 1.00 0.00 O ATOM 0 H SER A 66 -8.505 -7.266 -5.207 1.00 0.00 H new ATOM 0 HA SER A 66 -6.507 -8.093 -3.225 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.579 -10.218 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.244 -9.684 -4.153 1.00 0.00 H new ATOM 0 HG SER A 66 -7.745 -10.547 -6.250 1.00 0.00 H new ATOM 848 N LEU A 67 -4.441 -7.754 -4.546 1.00 0.00 N ATOM 849 CA LEU A 67 -3.222 -7.401 -5.250 1.00 0.00 C ATOM 850 C LEU A 67 -2.064 -8.245 -4.713 1.00 0.00 C ATOM 851 O LEU A 67 -2.251 -9.056 -3.806 1.00 0.00 O ATOM 852 CB LEU A 67 -2.973 -5.893 -5.172 1.00 0.00 C ATOM 853 CG LEU A 67 -2.876 -5.159 -6.511 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.705 -5.684 -7.342 1.00 0.00 C ATOM 855 CD2 LEU A 67 -4.200 -5.236 -7.274 1.00 0.00 C ATOM 0 H LEU A 67 -4.303 -8.060 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.317 -7.629 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.777 -5.442 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.048 -5.726 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.680 -4.106 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.660 -5.145 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.774 -5.535 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.845 -6.747 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.105 -4.707 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.450 -6.280 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.990 -4.776 -6.680 1.00 0.00 H new ATOM 867 N THR A 68 -0.894 -8.024 -5.293 1.00 0.00 N ATOM 868 CA THR A 68 0.295 -8.754 -4.882 1.00 0.00 C ATOM 869 C THR A 68 1.196 -7.865 -4.023 1.00 0.00 C ATOM 870 O THR A 68 1.520 -6.744 -4.410 1.00 0.00 O ATOM 871 CB THR A 68 0.984 -9.280 -6.142 1.00 0.00 C ATOM 872 OG1 THR A 68 2.061 -10.070 -5.643 1.00 0.00 O ATOM 873 CG2 THR A 68 1.673 -8.172 -6.941 1.00 0.00 C ATOM 0 H THR A 68 -0.743 -7.350 -6.044 1.00 0.00 H new ATOM 0 HA THR A 68 0.039 -9.607 -4.253 1.00 0.00 H new ATOM 0 HB THR A 68 0.250 -9.779 -6.775 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.562 -10.452 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.146 -8.601 -7.825 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.934 -7.432 -7.248 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.431 -7.693 -6.321 1.00 0.00 H new ATOM 881 N VAL A 69 1.573 -8.398 -2.870 1.00 0.00 N ATOM 882 CA VAL A 69 2.430 -7.669 -1.953 1.00 0.00 C ATOM 883 C VAL A 69 3.894 -7.948 -2.296 1.00 0.00 C ATOM 884 O VAL A 69 4.488 -8.892 -1.774 1.00 0.00 O ATOM 885 CB VAL A 69 2.076 -8.027 -0.508 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.971 -7.277 0.480 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.598 -7.758 -0.221 1.00 0.00 C ATOM 0 H VAL A 69 1.300 -9.327 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 69 2.272 -6.596 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 69 2.254 -9.094 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.697 -7.551 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.013 -7.542 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.841 -6.203 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.374 -8.021 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.383 -6.702 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.018 -8.359 -0.890 1.00 0.00 H new ATOM 897 N ARG A 70 4.433 -7.113 -3.171 1.00 0.00 N ATOM 898 CA ARG A 70 5.817 -7.258 -3.592 1.00 0.00 C ATOM 899 C ARG A 70 6.726 -6.369 -2.741 1.00 0.00 C ATOM 900 O ARG A 70 7.208 -5.339 -3.211 1.00 0.00 O ATOM 901 CB ARG A 70 5.987 -6.888 -5.065 1.00 0.00 C ATOM 902 CG ARG A 70 5.643 -8.073 -5.971 1.00 0.00 C ATOM 903 CD ARG A 70 6.090 -7.811 -7.410 1.00 0.00 C ATOM 904 NE ARG A 70 6.935 -8.928 -7.890 1.00 0.00 N ATOM 905 CZ ARG A 70 6.455 -10.069 -8.399 1.00 0.00 C ATOM 906 NH1 ARG A 70 5.132 -10.253 -8.499 1.00 0.00 N ATOM 907 NH2 ARG A 70 7.296 -11.029 -8.808 1.00 0.00 N ATOM 0 H ARG A 70 3.936 -6.333 -3.601 1.00 0.00 H new ATOM 0 HA ARG A 70 6.096 -8.303 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.345 -6.042 -5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.014 -6.572 -5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.126 -8.975 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.568 -8.253 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.219 -7.700 -8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.646 -6.875 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 70 7.948 -8.821 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.491 -9.524 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.766 -11.122 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.304 -10.891 -8.732 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.928 -11.898 -9.196 1.00 0.00 H new ATOM 921 N ARG A 71 6.932 -6.796 -1.504 1.00 0.00 N ATOM 922 CA ARG A 71 7.775 -6.053 -0.585 1.00 0.00 C ATOM 923 C ARG A 71 8.927 -5.386 -1.341 1.00 0.00 C ATOM 924 O ARG A 71 9.323 -4.269 -1.015 1.00 0.00 O ATOM 925 CB ARG A 71 8.346 -6.966 0.502 1.00 0.00 C ATOM 926 CG ARG A 71 9.472 -6.268 1.268 1.00 0.00 C ATOM 927 CD ARG A 71 10.119 -7.217 2.276 1.00 0.00 C ATOM 928 NE ARG A 71 10.684 -8.392 1.575 1.00 0.00 N ATOM 929 CZ ARG A 71 11.694 -9.135 2.048 1.00 0.00 C ATOM 930 NH1 ARG A 71 12.258 -8.830 3.225 1.00 0.00 N ATOM 931 NH2 ARG A 71 12.143 -10.181 1.342 1.00 0.00 N ATOM 0 H ARG A 71 6.528 -7.649 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 71 7.157 -5.290 -0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.554 -7.253 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.723 -7.884 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.225 -5.908 0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.077 -5.395 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.905 -6.698 2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.380 -7.541 3.009 1.00 0.00 H new ATOM 0 HE ARG A 71 10.279 -8.652 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.918 -8.032 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.027 -9.396 3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.716 -10.412 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.912 -10.747 1.702 1.00 0.00 H new ATOM 945 N SER A 72 9.430 -6.102 -2.336 1.00 0.00 N ATOM 946 CA SER A 72 10.529 -5.595 -3.141 1.00 0.00 C ATOM 947 C SER A 72 9.983 -4.819 -4.341 1.00 0.00 C ATOM 948 O SER A 72 9.198 -5.350 -5.123 1.00 0.00 O ATOM 949 CB SER A 72 11.437 -6.731 -3.613 1.00 0.00 C ATOM 950 OG SER A 72 11.079 -7.197 -4.912 1.00 0.00 O ATOM 0 H SER A 72 9.097 -7.028 -2.603 1.00 0.00 H new ATOM 0 HA SER A 72 11.125 -4.924 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.471 -6.388 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.383 -7.557 -2.904 1.00 0.00 H new ATOM 0 HG SER A 72 10.152 -6.944 -5.106 1.00 0.00 H new ATOM 956 N PHE A 73 10.421 -3.571 -4.448 1.00 0.00 N ATOM 957 CA PHE A 73 9.987 -2.717 -5.539 1.00 0.00 C ATOM 958 C PHE A 73 10.784 -1.410 -5.564 1.00 0.00 C ATOM 959 O PHE A 73 11.501 -1.100 -4.615 1.00 0.00 O ATOM 960 CB PHE A 73 8.511 -2.396 -5.296 1.00 0.00 C ATOM 961 CG PHE A 73 8.150 -2.208 -3.821 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.915 -1.409 -3.030 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.064 -2.841 -3.300 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.581 -1.236 -1.660 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.730 -2.668 -1.931 1.00 0.00 C ATOM 966 CZ PHE A 73 7.496 -1.868 -1.139 1.00 0.00 C ATOM 0 H PHE A 73 11.072 -3.133 -3.796 1.00 0.00 H new ATOM 0 HA PHE A 73 10.142 -3.224 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.253 -1.488 -5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.902 -3.200 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.777 -0.906 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.456 -3.475 -3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.189 -0.602 -1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.868 -3.171 -1.518 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.242 -1.736 -0.098 1.00 0.00 H new ATOM 976 N GLU A 74 10.629 -0.681 -6.658 1.00 0.00 N ATOM 977 CA GLU A 74 11.325 0.584 -6.819 1.00 0.00 C ATOM 978 C GLU A 74 10.444 1.738 -6.337 1.00 0.00 C ATOM 979 O GLU A 74 9.619 2.252 -7.091 1.00 0.00 O ATOM 980 CB GLU A 74 11.756 0.794 -8.272 1.00 0.00 C ATOM 981 CG GLU A 74 12.763 1.938 -8.386 1.00 0.00 C ATOM 982 CD GLU A 74 12.901 2.405 -9.837 1.00 0.00 C ATOM 983 OE1 GLU A 74 13.262 1.553 -10.677 1.00 0.00 O ATOM 984 OE2 GLU A 74 12.640 3.605 -10.075 1.00 0.00 O ATOM 0 H GLU A 74 10.031 -0.942 -7.442 1.00 0.00 H new ATOM 0 HA GLU A 74 12.227 0.560 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.198 -0.124 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.882 1.012 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.444 2.772 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.733 1.612 -8.011 1.00 0.00 H new ATOM 992 N GLY A 75 10.651 2.113 -5.082 1.00 0.00 N ATOM 993 CA GLY A 75 9.887 3.198 -4.490 1.00 0.00 C ATOM 994 C GLY A 75 10.126 4.510 -5.238 1.00 0.00 C ATOM 995 O GLY A 75 11.140 4.666 -5.918 1.00 0.00 O ATOM 0 H GLY A 75 11.336 1.685 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.825 2.953 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.168 3.316 -3.443 1.00 0.00 H new ATOM 999 N PHE A 76 9.179 5.423 -5.087 1.00 0.00 N ATOM 1000 CA PHE A 76 9.275 6.717 -5.739 1.00 0.00 C ATOM 1001 C PHE A 76 8.943 7.849 -4.764 1.00 0.00 C ATOM 1002 O PHE A 76 7.856 7.882 -4.193 1.00 0.00 O ATOM 1003 CB PHE A 76 8.249 6.722 -6.875 1.00 0.00 C ATOM 1004 CG PHE A 76 8.829 6.343 -8.240 1.00 0.00 C ATOM 1005 CD1 PHE A 76 9.407 5.125 -8.418 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.768 7.224 -9.274 1.00 0.00 C ATOM 1007 CE1 PHE A 76 9.946 4.773 -9.684 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.306 6.872 -10.540 1.00 0.00 C ATOM 1009 CZ PHE A 76 9.885 5.654 -10.718 1.00 0.00 C ATOM 0 H PHE A 76 8.340 5.292 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 76 10.290 6.875 -6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.445 6.028 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.803 7.714 -6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.456 4.425 -7.597 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.310 8.192 -9.132 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.404 3.805 -9.825 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.256 7.571 -11.362 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.296 5.387 -11.680 1.00 0.00 H new ATOM 1019 N LEU A 77 9.901 8.749 -4.605 1.00 0.00 N ATOM 1020 CA LEU A 77 9.726 9.879 -3.710 1.00 0.00 C ATOM 1021 C LEU A 77 8.414 10.592 -4.045 1.00 0.00 C ATOM 1022 O LEU A 77 8.007 10.636 -5.205 1.00 0.00 O ATOM 1023 CB LEU A 77 10.950 10.796 -3.757 1.00 0.00 C ATOM 1024 CG LEU A 77 12.310 10.098 -3.716 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.444 11.113 -3.545 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.343 9.019 -2.632 1.00 0.00 C ATOM 0 H LEU A 77 10.802 8.719 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 77 9.651 9.537 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.897 11.394 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.893 11.489 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 77 12.464 9.599 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.400 10.590 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.436 11.812 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.305 11.661 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.322 8.539 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.156 9.474 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.575 8.273 -2.837 1.00 0.00 H new ATOM 1038 N PHE A 78 7.787 11.128 -3.010 1.00 0.00 N ATOM 1039 CA PHE A 78 6.528 11.834 -3.180 1.00 0.00 C ATOM 1040 C PHE A 78 6.730 13.130 -3.969 1.00 0.00 C ATOM 1041 O PHE A 78 5.830 13.573 -4.682 1.00 0.00 O ATOM 1042 CB PHE A 78 6.014 12.178 -1.780 1.00 0.00 C ATOM 1043 CG PHE A 78 5.282 13.519 -1.698 1.00 0.00 C ATOM 1044 CD1 PHE A 78 4.285 13.805 -2.578 1.00 0.00 C ATOM 1045 CD2 PHE A 78 5.627 14.425 -0.743 1.00 0.00 C ATOM 1046 CE1 PHE A 78 3.606 15.050 -2.502 1.00 0.00 C ATOM 1047 CE2 PHE A 78 4.947 15.669 -0.666 1.00 0.00 C ATOM 1048 CZ PHE A 78 3.950 15.954 -1.550 1.00 0.00 C ATOM 0 H PHE A 78 8.127 11.088 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 78 5.823 11.210 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.341 11.388 -1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.856 12.193 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.010 13.085 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.418 14.198 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.816 15.277 -3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.220 16.388 0.092 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.433 16.900 -1.493 1.00 0.00 H new ATOM 1058 N ASP A 79 7.914 13.702 -3.814 1.00 0.00 N ATOM 1059 CA ASP A 79 8.245 14.938 -4.503 1.00 0.00 C ATOM 1060 C ASP A 79 8.051 14.745 -6.007 1.00 0.00 C ATOM 1061 O ASP A 79 7.311 15.495 -6.643 1.00 0.00 O ATOM 1062 CB ASP A 79 9.705 15.329 -4.260 1.00 0.00 C ATOM 1063 CG ASP A 79 10.102 16.707 -4.796 1.00 0.00 C ATOM 1064 OD1 ASP A 79 9.366 17.208 -5.675 1.00 0.00 O ATOM 1065 OD2 ASP A 79 11.131 17.226 -4.315 1.00 0.00 O ATOM 0 H ASP A 79 8.657 13.332 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 79 7.593 15.723 -4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.899 15.303 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.348 14.578 -4.719 1.00 0.00 H new ATOM 1071 N GLY A 80 8.730 13.737 -6.536 1.00 0.00 N ATOM 1072 CA GLY A 80 8.640 13.437 -7.954 1.00 0.00 C ATOM 1073 C GLY A 80 9.788 12.526 -8.395 1.00 0.00 C ATOM 1074 O GLY A 80 9.654 11.775 -9.361 1.00 0.00 O ATOM 0 H GLY A 80 9.345 13.118 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.686 12.955 -8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.665 14.363 -8.528 1.00 0.00 H new ATOM 1078 N THR A 81 10.890 12.620 -7.666 1.00 0.00 N ATOM 1079 CA THR A 81 12.060 11.813 -7.967 1.00 0.00 C ATOM 1080 C THR A 81 11.856 10.377 -7.484 1.00 0.00 C ATOM 1081 O THR A 81 11.235 10.148 -6.446 1.00 0.00 O ATOM 1082 CB THR A 81 13.279 12.497 -7.347 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.631 13.503 -8.293 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.504 11.582 -7.304 1.00 0.00 C ATOM 0 H THR A 81 10.997 13.244 -6.866 1.00 0.00 H new ATOM 0 HA THR A 81 12.224 11.740 -9.042 1.00 0.00 H new ATOM 0 HB THR A 81 13.036 12.826 -6.337 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.413 13.997 -7.969 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.341 12.116 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.277 10.697 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.768 11.280 -8.317 1.00 0.00 H new ATOM 1092 N ARG A 82 12.393 9.442 -8.256 1.00 0.00 N ATOM 1093 CA ARG A 82 12.280 8.034 -7.919 1.00 0.00 C ATOM 1094 C ARG A 82 13.490 7.586 -7.101 1.00 0.00 C ATOM 1095 O ARG A 82 14.616 8.000 -7.372 1.00 0.00 O ATOM 1096 CB ARG A 82 12.175 7.173 -9.179 1.00 0.00 C ATOM 1097 CG ARG A 82 13.546 6.994 -9.835 1.00 0.00 C ATOM 1098 CD ARG A 82 13.403 6.709 -11.332 1.00 0.00 C ATOM 1099 NE ARG A 82 14.626 7.140 -12.047 1.00 0.00 N ATOM 1100 CZ ARG A 82 14.672 7.407 -13.359 1.00 0.00 C ATOM 1101 NH1 ARG A 82 13.566 7.289 -14.107 1.00 0.00 N ATOM 1102 NH2 ARG A 82 15.825 7.792 -13.924 1.00 0.00 N ATOM 0 H ARG A 82 12.908 9.634 -9.115 1.00 0.00 H new ATOM 0 HA ARG A 82 11.372 7.905 -7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.759 6.198 -8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.487 7.638 -9.886 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.144 7.893 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.079 6.174 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.233 5.645 -11.494 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.535 7.234 -11.730 1.00 0.00 H new ATOM 0 HE ARG A 82 15.486 7.240 -11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.689 6.996 -13.677 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.602 7.492 -15.106 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.667 7.882 -13.355 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.861 7.995 -14.923 1.00 0.00 H new ATOM 1116 N TRP A 83 13.219 6.741 -6.115 1.00 0.00 N ATOM 1117 CA TRP A 83 14.274 6.232 -5.255 1.00 0.00 C ATOM 1118 C TRP A 83 14.562 4.787 -5.667 1.00 0.00 C ATOM 1119 O TRP A 83 15.401 4.538 -6.532 1.00 0.00 O ATOM 1120 CB TRP A 83 13.892 6.367 -3.779 1.00 0.00 C ATOM 1121 CG TRP A 83 14.836 5.639 -2.823 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.710 4.401 -2.322 1.00 0.00 C ATOM 1123 CD2 TRP A 83 16.065 6.154 -2.268 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.763 4.084 -1.489 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.613 5.183 -1.456 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.693 7.400 -2.446 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.814 5.356 -0.757 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.891 7.556 -1.742 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.456 6.589 -0.919 1.00 0.00 C ATOM 0 H TRP A 83 12.285 6.397 -5.893 1.00 0.00 H new ATOM 0 HA TRP A 83 15.185 6.818 -5.374 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.869 7.424 -3.516 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.882 5.982 -3.639 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.888 3.736 -2.543 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.894 3.205 -0.989 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.282 8.175 -3.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.223 4.580 -0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.415 8.495 -1.845 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.386 6.788 -0.407 1.00 0.00 H new ATOM 1140 N GLY A 84 13.850 3.870 -5.027 1.00 0.00 N ATOM 1141 CA GLY A 84 14.019 2.456 -5.316 1.00 0.00 C ATOM 1142 C GLY A 84 13.827 1.611 -4.055 1.00 0.00 C ATOM 1143 O GLY A 84 12.775 1.003 -3.862 1.00 0.00 O ATOM 0 H GLY A 84 13.155 4.079 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.301 2.149 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.013 2.282 -5.727 1.00 0.00 H new ATOM 1147 N THR A 85 14.861 1.600 -3.226 1.00 0.00 N ATOM 1148 CA THR A 85 14.820 0.841 -1.988 1.00 0.00 C ATOM 1149 C THR A 85 14.825 -0.660 -2.283 1.00 0.00 C ATOM 1150 O THR A 85 15.682 -1.390 -1.790 1.00 0.00 O ATOM 1151 CB THR A 85 13.596 1.299 -1.193 1.00 0.00 C ATOM 1152 OG1 THR A 85 13.985 2.560 -0.652 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.337 0.428 0.039 1.00 0.00 C ATOM 0 H THR A 85 15.732 2.105 -3.388 1.00 0.00 H new ATOM 0 HA THR A 85 15.707 1.025 -1.382 1.00 0.00 H new ATOM 0 HB THR A 85 12.718 1.284 -1.839 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.356 3.121 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.457 0.797 0.567 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.167 -0.603 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.201 0.469 0.702 1.00 0.00 H new ATOM 1161 N VAL A 86 13.857 -1.076 -3.086 1.00 0.00 N ATOM 1162 CA VAL A 86 13.739 -2.477 -3.454 1.00 0.00 C ATOM 1163 C VAL A 86 13.223 -3.272 -2.253 1.00 0.00 C ATOM 1164 O VAL A 86 12.039 -3.214 -1.926 1.00 0.00 O ATOM 1165 CB VAL A 86 15.080 -2.994 -3.981 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.995 -4.484 -4.327 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.547 -2.176 -5.186 1.00 0.00 C ATOM 0 H VAL A 86 13.147 -0.467 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 86 13.018 -2.601 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 86 15.820 -2.876 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.960 -4.827 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.728 -5.050 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.236 -4.637 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.502 -2.564 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.807 -2.248 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.665 -1.133 -4.894 1.00 0.00 H new ATOM 1177 N ASP A 87 14.138 -3.999 -1.625 1.00 0.00 N ATOM 1178 CA ASP A 87 13.789 -4.806 -0.469 1.00 0.00 C ATOM 1179 C ASP A 87 13.160 -3.909 0.601 1.00 0.00 C ATOM 1180 O ASP A 87 13.869 -3.322 1.417 1.00 0.00 O ATOM 1181 CB ASP A 87 15.029 -5.466 0.137 1.00 0.00 C ATOM 1182 CG ASP A 87 14.849 -6.930 0.540 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.244 -7.669 -0.263 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.322 -7.276 1.645 1.00 0.00 O ATOM 0 H ASP A 87 15.120 -4.045 -1.896 1.00 0.00 H new ATOM 0 HA ASP A 87 13.092 -5.579 -0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.845 -5.400 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.332 -4.897 1.016 1.00 0.00 H new ATOM 1190 N CYS A 88 11.839 -3.831 0.561 1.00 0.00 N ATOM 1191 CA CYS A 88 11.108 -3.018 1.517 1.00 0.00 C ATOM 1192 C CYS A 88 11.041 -3.778 2.845 1.00 0.00 C ATOM 1193 O CYS A 88 9.956 -4.058 3.351 1.00 0.00 O ATOM 1194 CB CYS A 88 9.716 -2.651 1.001 1.00 0.00 C ATOM 1195 SG CYS A 88 8.884 -1.306 1.921 1.00 0.00 S ATOM 0 H CYS A 88 11.255 -4.318 -0.119 1.00 0.00 H new ATOM 0 HA CYS A 88 11.630 -2.073 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.798 -2.359 -0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.086 -3.539 1.036 1.00 0.00 H new ATOM 1200 N THR A 89 12.217 -4.088 3.370 1.00 0.00 N ATOM 1201 CA THR A 89 12.307 -4.810 4.629 1.00 0.00 C ATOM 1202 C THR A 89 12.713 -3.862 5.758 1.00 0.00 C ATOM 1203 O THR A 89 12.504 -4.165 6.932 1.00 0.00 O ATOM 1204 CB THR A 89 13.275 -5.978 4.435 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.114 -6.762 5.615 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.740 -5.538 4.481 1.00 0.00 C ATOM 0 H THR A 89 13.115 -3.853 2.948 1.00 0.00 H new ATOM 0 HA THR A 89 11.340 -5.218 4.923 1.00 0.00 H new ATOM 0 HB THR A 89 13.070 -6.464 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.741 -6.205 6.330 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.385 -6.405 4.338 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.927 -4.812 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.953 -5.083 5.448 1.00 0.00 H new ATOM 1214 N THR A 90 13.291 -2.736 5.364 1.00 0.00 N ATOM 1215 CA THR A 90 13.729 -1.744 6.330 1.00 0.00 C ATOM 1216 C THR A 90 12.601 -0.756 6.627 1.00 0.00 C ATOM 1217 O THR A 90 12.226 -0.565 7.784 1.00 0.00 O ATOM 1218 CB THR A 90 14.992 -1.076 5.780 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.374 -0.161 6.804 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.706 -0.185 4.571 1.00 0.00 C ATOM 0 H THR A 90 13.466 -2.490 4.390 1.00 0.00 H new ATOM 0 HA THR A 90 13.976 -2.204 7.287 1.00 0.00 H new ATOM 0 HB THR A 90 15.715 -1.842 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.186 0.315 6.531 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.636 0.264 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.270 -0.785 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.008 0.602 4.856 1.00 0.00 H new ATOM 1228 N ALA A 91 12.091 -0.150 5.565 1.00 0.00 N ATOM 1229 CA ALA A 91 11.012 0.815 5.698 1.00 0.00 C ATOM 1230 C ALA A 91 9.669 0.093 5.571 1.00 0.00 C ATOM 1231 O ALA A 91 9.381 -0.512 4.539 1.00 0.00 O ATOM 1232 CB ALA A 91 11.182 1.919 4.653 1.00 0.00 C ATOM 0 H ALA A 91 12.405 -0.309 4.608 1.00 0.00 H new ATOM 0 HA ALA A 91 11.040 1.289 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.373 2.642 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.138 2.420 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.157 1.482 3.655 1.00 0.00 H new ATOM 1238 N ALA A 92 8.884 0.178 6.633 1.00 0.00 N ATOM 1239 CA ALA A 92 7.578 -0.459 6.654 1.00 0.00 C ATOM 1240 C ALA A 92 6.714 0.124 5.534 1.00 0.00 C ATOM 1241 O ALA A 92 6.461 1.327 5.503 1.00 0.00 O ATOM 1242 CB ALA A 92 6.942 -0.280 8.033 1.00 0.00 C ATOM 0 H ALA A 92 9.127 0.679 7.487 1.00 0.00 H new ATOM 0 HA ALA A 92 7.672 -1.530 6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.963 -0.758 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.580 -0.737 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.830 0.783 8.247 1.00 0.00 H new ATOM 1248 N CYS A 93 6.285 -0.756 4.643 1.00 0.00 N ATOM 1249 CA CYS A 93 5.453 -0.344 3.523 1.00 0.00 C ATOM 1250 C CYS A 93 3.989 -0.464 3.944 1.00 0.00 C ATOM 1251 O CYS A 93 3.562 -1.508 4.436 1.00 0.00 O ATOM 1252 CB CYS A 93 5.754 -1.159 2.264 1.00 0.00 C ATOM 1253 SG CYS A 93 7.171 -2.307 2.414 1.00 0.00 S ATOM 0 H CYS A 93 6.497 -1.753 4.672 1.00 0.00 H new ATOM 0 HA CYS A 93 5.672 0.692 3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.866 -1.733 1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.947 -0.471 1.441 1.00 0.00 H new ATOM 1258 N GLN A 94 3.254 0.619 3.735 1.00 0.00 N ATOM 1259 CA GLN A 94 1.844 0.649 4.085 1.00 0.00 C ATOM 1260 C GLN A 94 0.985 0.357 2.853 1.00 0.00 C ATOM 1261 O GLN A 94 0.905 1.178 1.940 1.00 0.00 O ATOM 1262 CB GLN A 94 1.464 1.991 4.715 1.00 0.00 C ATOM 1263 CG GLN A 94 2.118 2.155 6.089 1.00 0.00 C ATOM 1264 CD GLN A 94 2.382 3.630 6.395 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.906 4.377 5.584 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.992 4.009 7.610 1.00 0.00 N ATOM 0 H GLN A 94 3.610 1.484 3.327 1.00 0.00 H new ATOM 0 HA GLN A 94 1.656 -0.128 4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.775 2.805 4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.380 2.057 4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.472 1.730 6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.056 1.600 6.119 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.560 3.334 8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.125 4.975 7.910 1.00 0.00 H new ATOM 1275 N VAL A 95 0.364 -0.811 2.869 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.488 -1.222 1.764 1.00 0.00 C ATOM 1277 C VAL A 95 -1.915 -0.728 2.016 1.00 0.00 C ATOM 1278 O VAL A 95 -2.623 -1.274 2.860 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.404 -2.737 1.572 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -0.784 -3.130 0.143 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.986 -3.259 1.935 1.00 0.00 C ATOM 0 H VAL A 95 0.433 -1.488 3.629 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.148 -0.772 0.831 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.122 -3.201 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.716 -4.212 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.804 -2.808 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.103 -2.650 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.019 -4.339 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.731 -2.784 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.201 -3.027 2.978 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.293 0.298 1.267 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.622 0.870 1.398 1.00 0.00 C ATOM 1293 C GLY A 96 -3.975 1.719 0.174 1.00 0.00 C ATOM 1294 O GLY A 96 -3.140 1.928 -0.704 1.00 0.00 O ATOM 0 H GLY A 96 -1.702 0.748 0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.355 0.072 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.671 1.484 2.298 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.218 2.181 0.154 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.693 3.000 -0.948 1.00 0.00 C ATOM 1300 C LEU A 97 -5.799 4.456 -0.485 1.00 0.00 C ATOM 1301 O LEU A 97 -6.584 4.771 0.408 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.000 2.436 -1.509 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.072 2.074 -0.481 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.455 2.538 -0.943 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.046 0.577 -0.165 1.00 0.00 C ATOM 0 H LEU A 97 -5.909 2.003 0.883 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.983 2.978 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.420 3.167 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.767 1.544 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.848 2.603 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.199 2.268 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.450 3.620 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.703 2.057 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.818 0.347 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.231 0.009 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.070 0.307 0.239 1.00 0.00 H new ATOM 1317 N SER A 98 -4.999 5.302 -1.115 1.00 0.00 N ATOM 1318 CA SER A 98 -4.994 6.717 -0.780 1.00 0.00 C ATOM 1319 C SER A 98 -6.168 7.421 -1.463 1.00 0.00 C ATOM 1320 O SER A 98 -6.793 6.862 -2.364 1.00 0.00 O ATOM 1321 CB SER A 98 -3.673 7.375 -1.185 1.00 0.00 C ATOM 1322 OG SER A 98 -3.373 7.165 -2.561 1.00 0.00 O ATOM 0 H SER A 98 -4.350 5.036 -1.855 1.00 0.00 H new ATOM 0 HA SER A 98 -5.100 6.812 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.724 8.445 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.865 6.974 -0.572 1.00 0.00 H new ATOM 0 HG SER A 98 -2.855 7.924 -2.902 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.433 8.637 -1.009 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.520 9.424 -1.565 1.00 0.00 C ATOM 1330 C ASP A 99 -7.062 10.065 -2.876 1.00 0.00 C ATOM 1331 O ASP A 99 -5.865 10.196 -3.121 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.934 10.544 -0.609 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.568 10.313 0.858 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.414 11.327 1.571 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -7.448 9.125 1.232 1.00 0.00 O ATOM 0 H ASP A 99 -5.913 9.097 -0.262 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.368 8.759 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.471 11.473 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.013 10.682 -0.681 1.00 0.00 H new ATOM 1341 N ALA A 100 -8.040 10.447 -3.684 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.753 11.071 -4.964 1.00 0.00 C ATOM 1343 C ALA A 100 -7.471 12.559 -4.749 1.00 0.00 C ATOM 1344 O ALA A 100 -7.296 13.307 -5.710 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.921 10.833 -5.923 1.00 0.00 C ATOM 0 H ALA A 100 -9.033 10.336 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.865 10.628 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.705 11.302 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.062 9.762 -6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.830 11.266 -5.504 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.434 12.945 -3.482 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.177 14.330 -3.127 1.00 0.00 C ATOM 1353 C ALA A 101 -5.669 14.542 -2.983 1.00 0.00 C ATOM 1354 O ALA A 101 -5.000 14.936 -3.936 1.00 0.00 O ATOM 1355 CB ALA A 101 -7.940 14.681 -1.849 1.00 0.00 C ATOM 0 H ALA A 101 -7.578 12.321 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.532 14.999 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.746 15.720 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.008 14.541 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.610 14.032 -1.038 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.178 14.273 -1.782 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.761 14.431 -1.500 1.00 0.00 C ATOM 1363 C GLY A 102 -3.438 14.006 -0.065 1.00 0.00 C ATOM 1364 O GLY A 102 -2.648 14.659 0.616 1.00 0.00 O ATOM 0 H GLY A 102 -5.736 13.947 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.178 13.833 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.470 15.471 -1.650 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.064 12.915 0.351 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.854 12.396 1.691 1.00 0.00 C ATOM 1370 C ASN A 103 -4.023 10.875 1.678 1.00 0.00 C ATOM 1371 O ASN A 103 -4.873 10.349 0.960 1.00 0.00 O ATOM 1372 CB ASN A 103 -4.872 12.977 2.674 1.00 0.00 C ATOM 1373 CG ASN A 103 -5.267 14.400 2.276 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -4.575 15.365 2.554 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -6.415 14.476 1.609 1.00 0.00 N ATOM 0 H ASN A 103 -4.717 12.376 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.849 12.676 2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.759 12.344 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.451 12.980 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.765 15.382 1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.946 13.628 1.409 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.201 10.214 2.480 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.252 8.763 2.566 1.00 0.00 C ATOM 1384 C GLY A 104 -3.090 8.298 4.015 1.00 0.00 C ATOM 1385 O GLY A 104 -2.036 7.789 4.394 1.00 0.00 O ATOM 0 H GLY A 104 -2.498 10.654 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.201 8.404 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.464 8.330 1.950 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.179 8.494 4.807 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.168 8.099 6.205 1.00 0.00 C ATOM 1391 C PRO A 105 -4.295 6.580 6.348 1.00 0.00 C ATOM 1392 O PRO A 105 -3.831 6.006 7.330 1.00 0.00 O ATOM 1393 CB PRO A 105 -5.328 8.853 6.836 1.00 0.00 C ATOM 1394 CG PRO A 105 -6.224 9.277 5.684 1.00 0.00 C ATOM 1395 CD PRO A 105 -5.444 9.094 4.393 1.00 0.00 C ATOM 0 HA PRO A 105 -3.231 8.346 6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.869 8.220 7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.973 9.719 7.394 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.134 8.677 5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.529 10.317 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.979 8.449 3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.284 10.047 3.888 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.926 5.976 5.353 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.120 4.536 5.355 1.00 0.00 C ATOM 1405 C GLU A 106 -3.885 3.834 4.789 1.00 0.00 C ATOM 1406 O GLU A 106 -3.258 4.328 3.854 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.377 4.150 4.571 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.197 3.105 5.330 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.644 3.641 6.692 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -8.533 4.518 6.693 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.084 3.160 7.702 1.00 0.00 O ATOM 0 H GLU A 106 -5.310 6.457 4.540 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.260 4.210 6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.986 5.037 4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.094 3.757 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.070 2.825 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.603 2.202 5.468 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.571 2.690 5.382 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.421 1.915 4.948 1.00 0.00 C ATOM 1421 C GLY A 107 -2.130 0.773 5.923 1.00 0.00 C ATOM 1422 O GLY A 107 -1.729 1.013 7.062 1.00 0.00 O ATOM 0 H GLY A 107 -4.093 2.282 6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.605 1.510 3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.549 2.564 4.872 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.344 -0.443 5.444 1.00 0.00 N ATOM 1427 CA VAL A 108 -2.111 -1.623 6.260 1.00 0.00 C ATOM 1428 C VAL A 108 -0.604 -1.803 6.467 1.00 0.00 C ATOM 1429 O VAL A 108 0.197 -1.331 5.664 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.775 -2.842 5.621 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -1.945 -3.369 4.449 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -3.018 -3.940 6.657 1.00 0.00 C ATOM 0 H VAL A 108 -2.677 -0.637 4.500 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.564 -1.503 7.244 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.743 -2.528 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.441 -4.236 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.846 -2.590 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.956 -3.657 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.491 -4.796 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.067 -4.248 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.669 -3.560 7.444 1.00 0.00 H new ATOM 1442 N ALA A 109 -0.266 -2.485 7.552 1.00 0.00 N ATOM 1443 CA ALA A 109 1.128 -2.735 7.875 1.00 0.00 C ATOM 1444 C ALA A 109 1.589 -4.013 7.173 1.00 0.00 C ATOM 1445 O ALA A 109 1.247 -5.116 7.598 1.00 0.00 O ATOM 1446 CB ALA A 109 1.294 -2.809 9.394 1.00 0.00 C ATOM 0 H ALA A 109 -0.934 -2.872 8.218 1.00 0.00 H new ATOM 0 HA ALA A 109 1.757 -1.920 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.340 -2.997 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.981 -1.865 9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.679 -3.618 9.788 1.00 0.00 H new ATOM 1452 N ILE A 110 2.361 -3.825 6.113 1.00 0.00 N ATOM 1453 CA ILE A 110 2.871 -4.948 5.350 1.00 0.00 C ATOM 1454 C ILE A 110 3.840 -5.753 6.221 1.00 0.00 C ATOM 1455 O ILE A 110 4.853 -5.225 6.678 1.00 0.00 O ATOM 1456 CB ILE A 110 3.484 -4.468 4.033 1.00 0.00 C ATOM 1457 CG1 ILE A 110 3.607 -5.619 3.032 1.00 0.00 C ATOM 1458 CG2 ILE A 110 4.826 -3.774 4.273 1.00 0.00 C ATOM 1459 CD1 ILE A 110 4.452 -5.209 1.825 1.00 0.00 C ATOM 0 H ILE A 110 2.645 -2.909 5.765 1.00 0.00 H new ATOM 0 HA ILE A 110 2.058 -5.619 5.071 1.00 0.00 H new ATOM 0 HB ILE A 110 2.812 -3.730 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.059 -6.483 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.615 -5.923 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.240 -3.443 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.679 -2.912 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.517 -4.472 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.523 -6.045 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.985 -4.360 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.451 -4.929 2.159 1.00 0.00 H new ATOM 1471 N SER A 111 3.495 -7.016 6.422 1.00 0.00 N ATOM 1472 CA SER A 111 4.320 -7.897 7.230 1.00 0.00 C ATOM 1473 C SER A 111 5.594 -8.266 6.466 1.00 0.00 C ATOM 1474 O SER A 111 5.847 -9.442 6.206 1.00 0.00 O ATOM 1475 CB SER A 111 3.553 -9.161 7.628 1.00 0.00 C ATOM 1476 OG SER A 111 3.859 -9.575 8.954 1.00 0.00 O ATOM 0 H SER A 111 2.655 -7.450 6.039 1.00 0.00 H new ATOM 0 HA SER A 111 4.592 -7.369 8.144 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.482 -8.977 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.794 -9.965 6.933 1.00 0.00 H new ATOM 0 HG SER A 111 3.349 -10.383 9.170 1.00 0.00 H new ATOM 1482 N PHE A 112 6.361 -7.242 6.129 1.00 0.00 N ATOM 1483 CA PHE A 112 7.602 -7.443 5.401 1.00 0.00 C ATOM 1484 C PHE A 112 8.439 -8.553 6.040 1.00 0.00 C ATOM 1485 O PHE A 112 8.375 -8.767 7.250 1.00 0.00 O ATOM 1486 CB PHE A 112 8.382 -6.128 5.471 1.00 0.00 C ATOM 1487 CG PHE A 112 8.389 -5.482 6.857 1.00 0.00 C ATOM 1488 CD1 PHE A 112 9.283 -5.896 7.795 1.00 0.00 C ATOM 1489 CD2 PHE A 112 7.502 -4.494 7.152 1.00 0.00 C ATOM 1490 CE1 PHE A 112 9.290 -5.295 9.082 1.00 0.00 C ATOM 1491 CE2 PHE A 112 7.509 -3.893 8.439 1.00 0.00 C ATOM 1492 CZ PHE A 112 8.402 -4.308 9.378 1.00 0.00 C ATOM 0 H PHE A 112 6.147 -6.269 6.347 1.00 0.00 H new ATOM 0 HA PHE A 112 7.386 -7.733 4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.411 -6.311 5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.954 -5.425 4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 112 9.987 -6.681 7.561 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.792 -4.166 6.407 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.001 -5.622 9.826 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.806 -3.107 8.672 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.406 -3.854 10.358 1.00 0.00 H new ATOM 1502 N ASN A 113 9.208 -9.230 5.200 1.00 0.00 N ATOM 1503 CA ASN A 113 10.057 -10.311 5.668 1.00 0.00 C ATOM 1504 C ASN A 113 11.199 -9.732 6.506 1.00 0.00 C ATOM 1505 O ASN A 113 11.178 -9.816 7.733 1.00 0.00 O ATOM 1506 CB ASN A 113 10.672 -11.076 4.495 1.00 0.00 C ATOM 1507 CG ASN A 113 10.675 -12.583 4.763 1.00 0.00 C ATOM 1508 OD1 ASN A 113 9.648 -13.243 4.751 1.00 0.00 O ATOM 1509 ND2 ASN A 113 11.880 -13.088 5.005 1.00 0.00 N ATOM 0 H ASN A 113 9.260 -9.050 4.197 1.00 0.00 H new ATOM 0 HA ASN A 113 9.442 -10.990 6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.110 -10.866 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.692 -10.731 4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.986 -14.084 5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.698 -12.479 5.000 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.526 7.404 1.001 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.147 7.086 -0.308 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.601 5.910 -0.530 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.986 5.537 -1.812 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.596 6.312 -2.888 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.155 7.484 -2.695 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.508 7.921 -1.386 1.00 0.00 C HETATM 1524 C11 NCZ A 130 0.860 9.307 -1.171 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.336 9.971 -2.092 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.726 10.004 0.115 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.309 11.342 0.252 1.00 0.00 C HETATM 1528 C13 NCZ A 130 2.795 11.282 0.624 1.00 0.00 C HETATM 1529 C14 NCZ A 130 2.919 11.413 1.952 1.00 0.00 C HETATM 1530 C15 NCZ A 130 1.657 11.822 2.620 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.677 12.062 1.454 1.00 0.00 C HETATM 1532 O6 NCZ A 130 0.571 13.498 1.240 1.00 0.00 O HETATM 1533 O5 NCZ A 130 3.500 12.344 -0.020 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.502 8.212 -3.844 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.960 5.140 0.551 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.576 5.500 1.835 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.171 6.627 2.071 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.540 6.931 3.373 1.00 0.00 O HETATM 1539 C17 NCZ A 130 0.937 8.235 3.843 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.786 3.902 0.408 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.748 4.156 -0.037 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.266 3.190 -0.233 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.947 3.456 1.390 1.00 0.00 H new HETATM 0 H173 NCZ A 130 1.817 8.568 3.293 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.122 8.942 3.686 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.172 8.183 4.906 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.874 6.011 -3.898 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.589 4.643 -1.967 1.00 0.00 H new HETATM 0 H6 NCZ A 130 0.163 13.917 2.027 1.00 0.00 H new HETATM 0 H5 NCZ A 130 3.531 12.178 -0.985 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.874 4.873 2.675 1.00 0.00 H new HETATM 0 H2 NCZ A 130 0.906 9.065 -3.581 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.331 11.687 1.633 1.00 0.00 H new HETATM 0 H15 NCZ A 130 1.467 11.928 3.688 1.00 0.00 H new HETATM 0 H14 NCZ A 130 3.852 11.237 2.488 1.00 0.00 H new HETATM 0 H13 NCZ A 130 3.210 10.327 0.302 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.144 11.838 -0.704 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.123 8.299 1.174 1.00 0.00 H new