USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 GLN : amide:sc= -6.41! C(o=-13!,f=-23!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -160:sc= -6.36! (180deg=-7.92!) USER MOD Set 2.1: A 22 LYS NZ :NH3+ -140:sc= 0.103 (180deg=-2.12!) USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= 0.427 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -18.3! C(o=-18!,f=-21!) USER MOD Single : A 9 THR OG1 : rot -77:sc= 0.381 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0069 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 17 SER OG : rot 61:sc= 0.159 USER MOD Single : A 21 THR OG1 : rot 72:sc= 0.0454 USER MOD Single : A 26 THR OG1 : rot -160:sc= -2.09! USER MOD Single : A 28 ASN : amide:sc= -0.0768 K(o=-0.077,f=-2!) USER MOD Single : A 30 ASN : amide:sc= -15.5! C(o=-16!,f=-16!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.085 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 0:sc= -0.665! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.95! C(o=-8!,f=-11!) USER MOD Single : A 51 THR OG1 : rot 170:sc= -4.6! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 58 ASN : amide:sc= -4.68 X(o=-4.7,f=-4.8!) USER MOD Single : A 59 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 63 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.53) USER MOD Single : A 64 THR OG1 : rot -76:sc= 1.21 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -73:sc= 0.119 USER MOD Single : A 69 THR OG1 : rot 54:sc= -0.724! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -8.59! C(o=-8.6!,f=-15!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0916 USER MOD Single : A 84 THR OG1 : rot -160:sc= -0.922 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.785 17.512 -6.406 1.00 0.00 N ATOM 38 CA ASP A 3 -6.886 16.602 -6.693 1.00 0.00 C ATOM 39 C ASP A 3 -6.364 15.229 -7.110 1.00 0.00 C ATOM 40 O ASP A 3 -6.608 14.771 -8.225 1.00 0.00 O ATOM 41 CB ASP A 3 -7.779 17.180 -7.787 1.00 0.00 C ATOM 42 CG ASP A 3 -9.194 17.438 -7.306 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.881 16.462 -6.937 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.612 18.614 -7.296 1.00 0.00 O ATOM 0 HA ASP A 3 -7.474 16.482 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.346 18.112 -8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.806 16.491 -8.631 1.00 0.00 H new ATOM 49 N PRO A 4 -5.629 14.555 -6.211 1.00 0.00 N ATOM 50 CA PRO A 4 -5.067 13.232 -6.479 1.00 0.00 C ATOM 51 C PRO A 4 -6.051 12.115 -6.173 1.00 0.00 C ATOM 52 O PRO A 4 -6.941 12.272 -5.338 1.00 0.00 O ATOM 53 CB PRO A 4 -3.884 13.176 -5.521 1.00 0.00 C ATOM 54 CG PRO A 4 -4.318 13.983 -4.342 1.00 0.00 C ATOM 55 CD PRO A 4 -5.282 15.027 -4.860 1.00 0.00 C ATOM 0 HA PRO A 4 -4.803 13.094 -7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.653 12.150 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.985 13.591 -5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.798 13.350 -3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.462 14.453 -3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.165 15.104 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.822 16.015 -4.888 1.00 0.00 H new ATOM 63 N THR A 5 -5.886 10.983 -6.846 1.00 0.00 N ATOM 64 CA THR A 5 -6.772 9.846 -6.627 1.00 0.00 C ATOM 65 C THR A 5 -5.982 8.542 -6.550 1.00 0.00 C ATOM 66 O THR A 5 -4.817 8.482 -6.943 1.00 0.00 O ATOM 67 CB THR A 5 -7.840 9.780 -7.728 1.00 0.00 C ATOM 68 OG1 THR A 5 -9.094 10.205 -7.228 1.00 0.00 O ATOM 69 CG2 THR A 5 -8.032 8.399 -8.322 1.00 0.00 C ATOM 0 H THR A 5 -5.155 10.828 -7.541 1.00 0.00 H new ATOM 0 HA THR A 5 -7.275 9.983 -5.670 1.00 0.00 H new ATOM 0 HB THR A 5 -7.472 10.439 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.764 10.159 -7.942 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.803 8.438 -9.092 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.095 8.059 -8.764 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.336 7.705 -7.538 1.00 0.00 H new ATOM 77 N ILE A 6 -6.629 7.500 -6.038 1.00 0.00 N ATOM 78 CA ILE A 6 -6.000 6.192 -5.907 1.00 0.00 C ATOM 79 C ILE A 6 -7.044 5.084 -5.910 1.00 0.00 C ATOM 80 O ILE A 6 -8.226 5.334 -5.675 1.00 0.00 O ATOM 81 CB ILE A 6 -5.170 6.084 -4.614 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.251 4.862 -4.673 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.084 6.006 -3.398 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.925 5.061 -3.968 1.00 0.00 C ATOM 0 H ILE A 6 -7.593 7.537 -5.706 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.337 6.078 -6.764 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.553 6.978 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.765 4.010 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.063 4.610 -5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.481 5.930 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.701 6.903 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.726 5.129 -3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.328 4.153 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.389 5.891 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.102 5.282 -2.915 1.00 0.00 H new ATOM 96 N ASN A 7 -6.603 3.864 -6.177 1.00 0.00 N ATOM 97 CA ASN A 7 -7.509 2.724 -6.207 1.00 0.00 C ATOM 98 C ASN A 7 -8.173 2.499 -4.863 1.00 0.00 C ATOM 99 O ASN A 7 -9.136 3.200 -4.561 1.00 0.00 O ATOM 100 CB ASN A 7 -6.831 1.479 -6.792 1.00 0.00 C ATOM 101 CG ASN A 7 -5.321 1.446 -6.582 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.589 0.895 -7.402 1.00 0.00 O ATOM 103 ND2 ASN A 7 -4.851 2.037 -5.488 1.00 0.00 N ATOM 0 H ASN A 7 -5.628 3.638 -6.375 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.325 2.955 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.271 0.590 -6.340 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.041 1.430 -7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.848 2.045 -5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.493 2.483 -4.833 1.00 0.00 H new ATOM 110 N PRO A 8 -7.765 1.539 -4.033 1.00 0.00 N ATOM 111 CA PRO A 8 -8.450 1.333 -2.799 1.00 0.00 C ATOM 112 C PRO A 8 -7.697 1.888 -1.598 1.00 0.00 C ATOM 113 O PRO A 8 -6.716 2.621 -1.747 1.00 0.00 O ATOM 114 CB PRO A 8 -8.499 -0.172 -2.762 1.00 0.00 C ATOM 115 CG PRO A 8 -7.192 -0.605 -3.351 1.00 0.00 C ATOM 116 CD PRO A 8 -6.687 0.550 -4.179 1.00 0.00 C ATOM 0 HA PRO A 8 -9.416 1.835 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.616 -0.540 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.341 -0.556 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.479 -0.860 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.321 -1.495 -3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.735 0.930 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.534 0.267 -5.220 1.00 0.00 H new ATOM 124 N THR A 9 -8.163 1.537 -0.406 1.00 0.00 N ATOM 125 CA THR A 9 -7.534 2.002 0.819 1.00 0.00 C ATOM 126 C THR A 9 -7.684 0.979 1.946 1.00 0.00 C ATOM 127 O THR A 9 -7.339 1.263 3.094 1.00 0.00 O ATOM 128 CB THR A 9 -8.147 3.342 1.240 1.00 0.00 C ATOM 129 OG1 THR A 9 -7.821 4.357 0.308 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.698 3.814 2.606 1.00 0.00 C ATOM 0 H THR A 9 -8.973 0.933 -0.264 1.00 0.00 H new ATOM 0 HA THR A 9 -6.469 2.133 0.626 1.00 0.00 H new ATOM 0 HB THR A 9 -9.222 3.163 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.898 4.651 0.454 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.173 4.768 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.982 3.077 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.615 3.937 2.611 1.00 0.00 H new ATOM 138 N SER A 10 -8.199 -0.204 1.629 1.00 0.00 N ATOM 139 CA SER A 10 -8.382 -1.233 2.647 1.00 0.00 C ATOM 140 C SER A 10 -8.275 -2.642 2.070 1.00 0.00 C ATOM 141 O SER A 10 -8.881 -2.959 1.048 1.00 0.00 O ATOM 142 CB SER A 10 -9.739 -1.056 3.330 1.00 0.00 C ATOM 143 OG SER A 10 -9.727 -1.606 4.637 1.00 0.00 O ATOM 0 H SER A 10 -8.493 -0.472 0.690 1.00 0.00 H new ATOM 0 HA SER A 10 -7.580 -1.115 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.989 0.004 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.515 -1.539 2.736 1.00 0.00 H new ATOM 0 HG SER A 10 -10.605 -1.479 5.053 1.00 0.00 H new ATOM 149 N ILE A 11 -7.504 -3.479 2.755 1.00 0.00 N ATOM 150 CA ILE A 11 -7.310 -4.868 2.353 1.00 0.00 C ATOM 151 C ILE A 11 -6.760 -5.681 3.525 1.00 0.00 C ATOM 152 O ILE A 11 -6.194 -5.121 4.462 1.00 0.00 O ATOM 153 CB ILE A 11 -6.349 -4.983 1.146 1.00 0.00 C ATOM 154 CG1 ILE A 11 -5.866 -6.425 0.974 1.00 0.00 C ATOM 155 CG2 ILE A 11 -5.169 -4.037 1.311 1.00 0.00 C ATOM 156 CD1 ILE A 11 -4.933 -6.612 -0.200 1.00 0.00 C ATOM 0 H ILE A 11 -6.998 -3.216 3.601 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.280 -5.264 2.053 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.894 -4.698 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.358 -6.741 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.731 -7.077 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.504 -4.132 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.532 -3.011 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.625 -4.289 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.631 -7.657 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.444 -6.327 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.051 -5.986 -0.067 1.00 0.00 H new ATOM 168 N SER A 12 -6.935 -6.998 3.477 1.00 0.00 N ATOM 169 CA SER A 12 -6.446 -7.860 4.551 1.00 0.00 C ATOM 170 C SER A 12 -6.132 -9.263 4.050 1.00 0.00 C ATOM 171 O SER A 12 -6.906 -9.861 3.302 1.00 0.00 O ATOM 172 CB SER A 12 -7.467 -7.937 5.682 1.00 0.00 C ATOM 173 OG SER A 12 -8.616 -7.156 5.394 1.00 0.00 O ATOM 0 H SER A 12 -7.406 -7.488 2.716 1.00 0.00 H new ATOM 0 HA SER A 12 -5.523 -7.418 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.760 -8.975 5.840 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.012 -7.590 6.610 1.00 0.00 H new ATOM 0 HG SER A 12 -9.253 -7.226 6.135 1.00 0.00 H new ATOM 179 N ALA A 13 -4.989 -9.779 4.483 1.00 0.00 N ATOM 180 CA ALA A 13 -4.547 -11.107 4.109 1.00 0.00 C ATOM 181 C ALA A 13 -3.326 -11.503 4.926 1.00 0.00 C ATOM 182 O ALA A 13 -2.711 -10.672 5.601 1.00 0.00 O ATOM 183 CB ALA A 13 -4.240 -11.170 2.622 1.00 0.00 C ATOM 0 H ALA A 13 -4.346 -9.286 5.102 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.350 -11.813 4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.910 -12.175 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.138 -10.924 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.452 -10.456 2.383 1.00 0.00 H new ATOM 189 N LYS A 14 -2.967 -12.770 4.847 1.00 0.00 N ATOM 190 CA LYS A 14 -1.805 -13.275 5.563 1.00 0.00 C ATOM 191 C LYS A 14 -0.536 -12.720 4.934 1.00 0.00 C ATOM 192 O LYS A 14 -0.416 -12.671 3.712 1.00 0.00 O ATOM 193 CB LYS A 14 -1.783 -14.804 5.543 1.00 0.00 C ATOM 194 CG LYS A 14 -1.534 -15.429 6.905 1.00 0.00 C ATOM 195 CD LYS A 14 -2.836 -15.689 7.644 1.00 0.00 C ATOM 196 CE LYS A 14 -2.603 -15.881 9.135 1.00 0.00 C ATOM 197 NZ LYS A 14 -1.594 -16.942 9.406 1.00 0.00 N ATOM 0 H LYS A 14 -3.462 -13.471 4.295 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.862 -12.949 6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.735 -15.167 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.009 -15.138 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.990 -16.366 6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.902 -14.769 7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.518 -14.854 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.318 -16.576 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.269 -14.941 9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.544 -16.142 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.586 -17.162 10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.838 -17.798 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.653 -16.608 9.116 1.00 0.00 H new ATOM 211 N ALA A 15 0.402 -12.291 5.758 1.00 0.00 N ATOM 212 CA ALA A 15 1.637 -11.738 5.228 1.00 0.00 C ATOM 213 C ALA A 15 2.302 -12.734 4.306 1.00 0.00 C ATOM 214 O ALA A 15 2.914 -13.710 4.737 1.00 0.00 O ATOM 215 CB ALA A 15 2.579 -11.297 6.337 1.00 0.00 C ATOM 0 H ALA A 15 0.337 -12.313 6.776 1.00 0.00 H new ATOM 0 HA ALA A 15 1.388 -10.847 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.490 -10.889 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.094 -10.532 6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.829 -12.153 6.964 1.00 0.00 H new ATOM 221 N GLY A 16 2.141 -12.474 3.025 1.00 0.00 N ATOM 222 CA GLY A 16 2.682 -13.332 2.007 1.00 0.00 C ATOM 223 C GLY A 16 1.644 -13.613 0.951 1.00 0.00 C ATOM 224 O GLY A 16 1.946 -13.665 -0.229 1.00 0.00 O ATOM 0 H GLY A 16 1.633 -11.665 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.554 -12.863 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.019 -14.268 2.453 1.00 0.00 H new ATOM 228 N SER A 17 0.394 -13.742 1.378 1.00 0.00 N ATOM 229 CA SER A 17 -0.685 -13.989 0.456 1.00 0.00 C ATOM 230 C SER A 17 -0.924 -12.756 -0.402 1.00 0.00 C ATOM 231 O SER A 17 -1.889 -12.680 -1.165 1.00 0.00 O ATOM 232 CB SER A 17 -1.940 -14.336 1.244 1.00 0.00 C ATOM 233 OG SER A 17 -1.733 -14.202 2.638 1.00 0.00 O ATOM 0 H SER A 17 0.112 -13.678 2.356 1.00 0.00 H new ATOM 0 HA SER A 17 -0.428 -14.821 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.757 -13.686 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.242 -15.358 1.017 1.00 0.00 H new ATOM 0 HG SER A 17 -1.503 -13.272 2.847 1.00 0.00 H new ATOM 239 N PHE A 18 -0.026 -11.793 -0.284 1.00 0.00 N ATOM 240 CA PHE A 18 -0.115 -10.573 -1.030 1.00 0.00 C ATOM 241 C PHE A 18 0.767 -10.643 -2.252 1.00 0.00 C ATOM 242 O PHE A 18 1.886 -10.133 -2.248 1.00 0.00 O ATOM 243 CB PHE A 18 0.310 -9.429 -0.140 1.00 0.00 C ATOM 244 CG PHE A 18 -0.626 -9.171 0.995 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.982 -9.008 0.769 1.00 0.00 C ATOM 246 CD2 PHE A 18 -0.153 -9.100 2.294 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.850 -8.778 1.819 1.00 0.00 C ATOM 248 CE2 PHE A 18 -1.015 -8.875 3.347 1.00 0.00 C ATOM 249 CZ PHE A 18 -2.364 -8.711 3.109 1.00 0.00 C ATOM 0 H PHE A 18 0.782 -11.846 0.336 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.142 -10.418 -1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.302 -9.640 0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.395 -8.524 -0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.366 -9.061 -0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.903 -9.222 2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.906 -8.651 1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.634 -8.827 4.357 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.040 -8.530 3.932 1.00 0.00 H new ATOM 259 N ALA A 19 0.266 -11.280 -3.290 1.00 0.00 N ATOM 260 CA ALA A 19 1.024 -11.424 -4.521 1.00 0.00 C ATOM 261 C ALA A 19 1.194 -10.072 -5.198 1.00 0.00 C ATOM 262 O ALA A 19 0.338 -9.196 -5.074 1.00 0.00 O ATOM 263 CB ALA A 19 0.334 -12.404 -5.459 1.00 0.00 C ATOM 0 H ALA A 19 -0.660 -11.706 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 19 2.011 -11.817 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.915 -12.500 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.256 -13.378 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.664 -12.037 -5.698 1.00 0.00 H new ATOM 269 N ASP A 20 2.318 -9.899 -5.895 1.00 0.00 N ATOM 270 CA ASP A 20 2.618 -8.641 -6.577 1.00 0.00 C ATOM 271 C ASP A 20 1.346 -7.996 -7.107 1.00 0.00 C ATOM 272 O ASP A 20 0.627 -8.589 -7.910 1.00 0.00 O ATOM 273 CB ASP A 20 3.600 -8.883 -7.723 1.00 0.00 C ATOM 274 CG ASP A 20 4.080 -7.590 -8.352 1.00 0.00 C ATOM 275 OD1 ASP A 20 3.786 -6.511 -7.795 1.00 0.00 O ATOM 276 OD2 ASP A 20 4.752 -7.656 -9.403 1.00 0.00 O ATOM 0 H ASP A 20 3.036 -10.616 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 20 3.073 -7.962 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.458 -9.444 -7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.122 -9.499 -8.484 1.00 0.00 H new ATOM 281 N THR A 21 1.069 -6.779 -6.648 1.00 0.00 N ATOM 282 CA THR A 21 -0.119 -6.068 -7.077 1.00 0.00 C ATOM 283 C THR A 21 0.215 -4.634 -7.448 1.00 0.00 C ATOM 284 O THR A 21 0.936 -3.941 -6.731 1.00 0.00 O ATOM 285 CB THR A 21 -1.192 -6.112 -5.983 1.00 0.00 C ATOM 286 OG1 THR A 21 -1.997 -7.270 -6.126 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.118 -4.912 -5.982 1.00 0.00 C ATOM 0 H THR A 21 1.651 -6.271 -5.982 1.00 0.00 H new ATOM 0 HA THR A 21 -0.513 -6.562 -7.965 1.00 0.00 H new ATOM 0 HB THR A 21 -0.639 -6.116 -5.044 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.480 -8.062 -5.868 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.849 -5.017 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.536 -4.004 -5.826 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.636 -4.851 -6.939 1.00 0.00 H new ATOM 295 N LYS A 22 -0.300 -4.202 -8.581 1.00 0.00 N ATOM 296 CA LYS A 22 -0.062 -2.866 -9.070 1.00 0.00 C ATOM 297 C LYS A 22 -1.197 -1.928 -8.697 1.00 0.00 C ATOM 298 O LYS A 22 -2.369 -2.305 -8.710 1.00 0.00 O ATOM 299 CB LYS A 22 0.128 -2.881 -10.582 1.00 0.00 C ATOM 300 CG LYS A 22 0.246 -1.492 -11.195 1.00 0.00 C ATOM 301 CD LYS A 22 -1.115 -0.901 -11.502 1.00 0.00 C ATOM 302 CE LYS A 22 -1.359 -0.807 -12.998 1.00 0.00 C ATOM 303 NZ LYS A 22 -2.026 0.465 -13.374 1.00 0.00 N ATOM 0 H LYS A 22 -0.894 -4.769 -9.186 1.00 0.00 H new ATOM 0 HA LYS A 22 0.849 -2.498 -8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.025 -3.452 -10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.713 -3.401 -11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.782 -0.836 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.835 -1.546 -12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.891 -1.515 -11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.190 0.091 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.409 -0.888 -13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.974 -1.648 -13.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.739 0.279 -14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.489 0.875 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.318 1.133 -13.740 1.00 0.00 H new ATOM 317 N ILE A 23 -0.828 -0.703 -8.369 1.00 0.00 N ATOM 318 CA ILE A 23 -1.786 0.318 -7.990 1.00 0.00 C ATOM 319 C ILE A 23 -1.739 1.484 -8.974 1.00 0.00 C ATOM 320 O ILE A 23 -0.732 1.695 -9.649 1.00 0.00 O ATOM 321 CB ILE A 23 -1.512 0.818 -6.561 1.00 0.00 C ATOM 322 CG1 ILE A 23 -2.337 0.015 -5.557 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.798 2.310 -6.427 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.283 0.563 -4.146 1.00 0.00 C ATOM 0 H ILE A 23 0.142 -0.389 -8.358 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.782 -0.123 -8.016 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.454 0.669 -6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.375 -0.007 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.982 -1.016 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.594 2.629 -5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.161 2.866 -7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.844 2.503 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.892 -0.059 -3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.252 0.560 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.666 1.583 -4.137 1.00 0.00 H new ATOM 336 N THR A 24 -2.831 2.236 -9.053 1.00 0.00 N ATOM 337 CA THR A 24 -2.900 3.377 -9.959 1.00 0.00 C ATOM 338 C THR A 24 -3.161 4.669 -9.192 1.00 0.00 C ATOM 339 O THR A 24 -4.278 4.918 -8.742 1.00 0.00 O ATOM 340 CB THR A 24 -3.991 3.159 -11.007 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.948 1.836 -11.508 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.882 4.099 -12.187 1.00 0.00 C ATOM 0 H THR A 24 -3.676 2.078 -8.504 1.00 0.00 H new ATOM 0 HA THR A 24 -1.938 3.466 -10.463 1.00 0.00 H new ATOM 0 HB THR A 24 -4.931 3.355 -10.491 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.655 1.716 -12.176 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.686 3.891 -12.893 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.961 5.129 -11.840 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.920 3.955 -12.679 1.00 0.00 H new ATOM 350 N LEU A 25 -2.122 5.482 -9.048 1.00 0.00 N ATOM 351 CA LEU A 25 -2.228 6.744 -8.338 1.00 0.00 C ATOM 352 C LEU A 25 -2.480 7.892 -9.312 1.00 0.00 C ATOM 353 O LEU A 25 -1.604 8.259 -10.093 1.00 0.00 O ATOM 354 CB LEU A 25 -0.948 6.982 -7.552 1.00 0.00 C ATOM 355 CG LEU A 25 -1.075 6.758 -6.048 1.00 0.00 C ATOM 356 CD1 LEU A 25 0.292 6.596 -5.416 1.00 0.00 C ATOM 357 CD2 LEU A 25 -1.837 7.904 -5.403 1.00 0.00 C ATOM 0 H LEU A 25 -1.192 5.285 -9.417 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.073 6.700 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.171 6.323 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.615 8.005 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.636 5.838 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.180 6.437 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.798 5.738 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.882 7.496 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.919 7.729 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.305 8.839 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.835 7.967 -5.837 1.00 0.00 H new ATOM 369 N THR A 26 -3.687 8.449 -9.260 1.00 0.00 N ATOM 370 CA THR A 26 -4.061 9.549 -10.139 1.00 0.00 C ATOM 371 C THR A 26 -3.302 10.819 -9.767 1.00 0.00 C ATOM 372 O THR A 26 -3.537 11.406 -8.708 1.00 0.00 O ATOM 373 CB THR A 26 -5.566 9.802 -10.060 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.288 8.693 -10.566 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.010 11.028 -10.827 1.00 0.00 C ATOM 0 H THR A 26 -4.422 8.155 -8.617 1.00 0.00 H new ATOM 0 HA THR A 26 -3.799 9.273 -11.160 1.00 0.00 H new ATOM 0 HB THR A 26 -5.776 9.961 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.196 8.975 -10.805 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.089 11.148 -10.728 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.509 11.909 -10.426 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.753 10.911 -11.880 1.00 0.00 H new ATOM 383 N PRO A 27 -2.372 11.244 -10.647 1.00 0.00 N ATOM 384 CA PRO A 27 -1.540 12.432 -10.452 1.00 0.00 C ATOM 385 C PRO A 27 -2.122 13.670 -11.111 1.00 0.00 C ATOM 386 O PRO A 27 -1.491 14.717 -11.119 1.00 0.00 O ATOM 387 CB PRO A 27 -0.283 12.021 -11.187 1.00 0.00 C ATOM 388 CG PRO A 27 -0.815 11.329 -12.392 1.00 0.00 C ATOM 389 CD PRO A 27 -2.042 10.581 -11.925 1.00 0.00 C ATOM 0 HA PRO A 27 -1.419 12.699 -9.402 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.330 12.882 -11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.340 11.361 -10.584 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.067 12.044 -13.175 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.075 10.646 -12.810 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.859 10.659 -12.642 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.839 9.519 -11.788 1.00 0.00 H new ATOM 397 N ASN A 28 -3.308 13.498 -11.683 1.00 0.00 N ATOM 398 CA ASN A 28 -4.041 14.522 -12.402 1.00 0.00 C ATOM 399 C ASN A 28 -3.886 15.878 -11.751 1.00 0.00 C ATOM 400 O ASN A 28 -4.825 16.458 -11.210 1.00 0.00 O ATOM 401 CB ASN A 28 -5.522 14.151 -12.476 1.00 0.00 C ATOM 402 CG ASN A 28 -6.209 14.757 -13.683 1.00 0.00 C ATOM 403 OD1 ASN A 28 -5.559 15.287 -14.583 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.536 14.682 -13.709 1.00 0.00 N ATOM 0 H ASN A 28 -3.801 12.605 -11.655 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.627 14.582 -13.409 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.621 13.066 -12.512 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.024 14.487 -11.569 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.054 15.073 -14.496 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.037 14.234 -12.942 1.00 0.00 H new ATOM 411 N GLY A 29 -2.670 16.348 -11.827 1.00 0.00 N ATOM 412 CA GLY A 29 -2.309 17.638 -11.265 1.00 0.00 C ATOM 413 C GLY A 29 -1.439 17.512 -10.031 1.00 0.00 C ATOM 414 O GLY A 29 -0.717 18.439 -9.666 1.00 0.00 O ATOM 0 H GLY A 29 -1.898 15.856 -12.277 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.782 18.224 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.216 18.187 -11.011 1.00 0.00 H new ATOM 418 N ASN A 30 -1.511 16.353 -9.392 1.00 0.00 N ATOM 419 CA ASN A 30 -0.737 16.077 -8.190 1.00 0.00 C ATOM 420 C ASN A 30 0.489 15.241 -8.513 1.00 0.00 C ATOM 421 O ASN A 30 0.619 14.706 -9.615 1.00 0.00 O ATOM 422 CB ASN A 30 -1.601 15.343 -7.165 1.00 0.00 C ATOM 423 CG ASN A 30 -3.086 15.493 -7.436 1.00 0.00 C ATOM 424 OD1 ASN A 30 -3.772 16.264 -6.770 1.00 0.00 O ATOM 425 ND2 ASN A 30 -3.591 14.753 -8.418 1.00 0.00 N ATOM 0 H ASN A 30 -2.105 15.580 -9.691 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.409 17.030 -7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.340 14.285 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.377 15.724 -6.168 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.584 14.813 -8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.985 14.125 -8.947 1.00 0.00 H new ATOM 432 N THR A 31 1.388 15.131 -7.542 1.00 0.00 N ATOM 433 CA THR A 31 2.609 14.358 -7.715 1.00 0.00 C ATOM 434 C THR A 31 2.792 13.378 -6.563 1.00 0.00 C ATOM 435 O THR A 31 2.233 13.559 -5.481 1.00 0.00 O ATOM 436 CB THR A 31 3.821 15.287 -7.808 1.00 0.00 C ATOM 437 OG1 THR A 31 5.023 14.538 -7.829 1.00 0.00 O ATOM 438 CG2 THR A 31 3.910 16.269 -6.659 1.00 0.00 C ATOM 0 H THR A 31 1.293 15.569 -6.626 1.00 0.00 H new ATOM 0 HA THR A 31 2.525 13.793 -8.644 1.00 0.00 H new ATOM 0 HB THR A 31 3.689 15.847 -8.733 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.788 15.148 -7.890 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.791 16.898 -6.785 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.017 16.894 -6.645 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.986 15.723 -5.719 1.00 0.00 H new ATOM 446 N PHE A 32 3.581 12.338 -6.805 1.00 0.00 N ATOM 447 CA PHE A 32 3.846 11.322 -5.794 1.00 0.00 C ATOM 448 C PHE A 32 5.328 11.288 -5.433 1.00 0.00 C ATOM 449 O PHE A 32 6.190 11.327 -6.311 1.00 0.00 O ATOM 450 CB PHE A 32 3.400 9.947 -6.300 1.00 0.00 C ATOM 451 CG PHE A 32 3.639 8.834 -5.320 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.489 9.044 -3.960 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.016 7.576 -5.763 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.710 8.019 -3.059 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.237 6.549 -4.871 1.00 0.00 C ATOM 456 CZ PHE A 32 4.084 6.772 -3.516 1.00 0.00 C ATOM 0 H PHE A 32 4.050 12.176 -7.696 1.00 0.00 H new ATOM 0 HA PHE A 32 3.279 11.576 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.337 9.986 -6.540 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.928 9.722 -7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.196 10.019 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.138 7.398 -6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.590 8.194 -2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.529 5.573 -5.230 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.257 5.970 -2.814 1.00 0.00 H new ATOM 466 N ASN A 33 5.616 11.214 -4.138 1.00 0.00 N ATOM 467 CA ASN A 33 6.995 11.175 -3.663 1.00 0.00 C ATOM 468 C ASN A 33 7.389 9.760 -3.254 1.00 0.00 C ATOM 469 O ASN A 33 8.516 9.326 -3.497 1.00 0.00 O ATOM 470 CB ASN A 33 7.176 12.130 -2.484 1.00 0.00 C ATOM 471 CG ASN A 33 8.392 13.020 -2.642 1.00 0.00 C ATOM 472 OD1 ASN A 33 9.495 12.543 -2.908 1.00 0.00 O ATOM 473 ND2 ASN A 33 8.199 14.324 -2.477 1.00 0.00 N ATOM 0 H ASN A 33 4.914 11.180 -3.399 1.00 0.00 H new ATOM 0 HA ASN A 33 7.645 11.491 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.286 12.751 -2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.269 11.553 -1.564 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.982 14.971 -2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.268 14.678 -2.257 1.00 0.00 H new ATOM 480 N GLY A 34 6.459 9.049 -2.630 1.00 0.00 N ATOM 481 CA GLY A 34 6.732 7.691 -2.195 1.00 0.00 C ATOM 482 C GLY A 34 6.041 7.352 -0.887 1.00 0.00 C ATOM 483 O GLY A 34 5.522 8.237 -0.205 1.00 0.00 O ATOM 0 H GLY A 34 5.521 9.387 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.406 6.993 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.808 7.559 -2.079 1.00 0.00 H new ATOM 487 N ILE A 35 6.036 6.071 -0.533 1.00 0.00 N ATOM 488 CA ILE A 35 5.410 5.624 0.697 1.00 0.00 C ATOM 489 C ILE A 35 6.460 5.329 1.760 1.00 0.00 C ATOM 490 O ILE A 35 6.994 4.223 1.835 1.00 0.00 O ATOM 491 CB ILE A 35 4.568 4.357 0.482 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.919 4.367 -0.898 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.511 4.234 1.567 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.195 3.080 -1.233 1.00 0.00 C ATOM 0 H ILE A 35 6.461 5.326 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 35 4.758 6.433 1.027 1.00 0.00 H new ATOM 0 HB ILE A 35 5.229 3.492 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.214 5.196 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.686 4.550 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.923 3.332 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.995 4.177 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.856 5.105 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.758 3.157 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.900 2.249 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.405 2.906 -0.502 1.00 0.00 H new ATOM 506 N SER A 36 6.745 6.324 2.583 1.00 0.00 N ATOM 507 CA SER A 36 7.729 6.169 3.652 1.00 0.00 C ATOM 508 C SER A 36 7.235 5.164 4.672 1.00 0.00 C ATOM 509 O SER A 36 8.030 4.491 5.327 1.00 0.00 O ATOM 510 CB SER A 36 8.021 7.512 4.324 1.00 0.00 C ATOM 511 OG SER A 36 6.882 7.995 5.012 1.00 0.00 O ATOM 0 H SER A 36 6.313 7.247 2.536 1.00 0.00 H new ATOM 0 HA SER A 36 8.657 5.801 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.851 7.400 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.331 8.238 3.573 1.00 0.00 H new ATOM 0 HG SER A 36 7.095 8.853 5.434 1.00 0.00 H new ATOM 517 N GLU A 37 5.920 5.025 4.766 1.00 0.00 N ATOM 518 CA GLU A 37 5.338 4.055 5.664 1.00 0.00 C ATOM 519 C GLU A 37 5.997 2.711 5.391 1.00 0.00 C ATOM 520 O GLU A 37 6.112 1.856 6.270 1.00 0.00 O ATOM 521 CB GLU A 37 3.835 3.988 5.423 1.00 0.00 C ATOM 522 CG GLU A 37 3.012 3.805 6.683 1.00 0.00 C ATOM 523 CD GLU A 37 1.635 4.424 6.554 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.112 4.468 5.419 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.084 4.872 7.582 1.00 0.00 O ATOM 0 H GLU A 37 5.244 5.571 4.232 1.00 0.00 H new ATOM 0 HA GLU A 37 5.501 4.333 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.517 4.904 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.624 3.164 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.913 2.742 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.535 4.256 7.527 1.00 0.00 H new ATOM 532 N LEU A 38 6.449 2.565 4.148 1.00 0.00 N ATOM 533 CA LEU A 38 7.134 1.377 3.687 1.00 0.00 C ATOM 534 C LEU A 38 8.141 1.771 2.605 1.00 0.00 C ATOM 535 O LEU A 38 7.775 1.970 1.448 1.00 0.00 O ATOM 536 CB LEU A 38 6.133 0.362 3.138 1.00 0.00 C ATOM 537 CG LEU A 38 4.863 0.970 2.541 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.645 0.463 1.123 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.660 0.654 3.419 1.00 0.00 C ATOM 0 H LEU A 38 6.345 3.282 3.430 1.00 0.00 H new ATOM 0 HA LEU A 38 7.659 0.914 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.627 -0.236 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.850 -0.319 3.941 1.00 0.00 H new ATOM 0 HG LEU A 38 4.982 2.053 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.737 0.906 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.496 0.742 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.545 -0.622 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.764 1.094 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.536 -0.427 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.817 1.068 4.415 1.00 0.00 H new ATOM 551 N GLN A 39 9.401 1.914 3.012 1.00 0.00 N ATOM 552 CA GLN A 39 10.487 2.323 2.139 1.00 0.00 C ATOM 553 C GLN A 39 10.255 1.852 0.725 1.00 0.00 C ATOM 554 O GLN A 39 10.656 0.764 0.320 1.00 0.00 O ATOM 555 CB GLN A 39 11.819 1.780 2.657 1.00 0.00 C ATOM 556 CG GLN A 39 11.767 0.313 3.046 1.00 0.00 C ATOM 557 CD GLN A 39 12.948 -0.469 2.509 1.00 0.00 C ATOM 558 OE1 GLN A 39 14.071 -0.336 2.995 1.00 0.00 O ATOM 559 NE2 GLN A 39 12.698 -1.297 1.502 1.00 0.00 N ATOM 0 H GLN A 39 9.695 1.745 3.974 1.00 0.00 H new ATOM 0 HA GLN A 39 10.522 3.412 2.136 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.581 1.917 1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.129 2.366 3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.743 0.229 4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.843 -0.127 2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.752 -1.376 1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.452 -1.854 1.101 1.00 0.00 H new ATOM 568 N SER A 40 9.575 2.735 0.026 1.00 0.00 N ATOM 569 CA SER A 40 9.179 2.584 -1.379 1.00 0.00 C ATOM 570 C SER A 40 9.814 1.381 -2.060 1.00 0.00 C ATOM 571 O SER A 40 9.162 0.687 -2.833 1.00 0.00 O ATOM 572 CB SER A 40 9.528 3.854 -2.158 1.00 0.00 C ATOM 573 OG SER A 40 10.913 4.141 -2.070 1.00 0.00 O ATOM 0 H SER A 40 9.264 3.619 0.428 1.00 0.00 H new ATOM 0 HA SER A 40 8.102 2.417 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.244 3.733 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.954 4.694 -1.767 1.00 0.00 H new ATOM 0 HG SER A 40 11.111 4.956 -2.577 1.00 0.00 H new ATOM 579 N SER A 41 11.081 1.138 -1.776 1.00 0.00 N ATOM 580 CA SER A 41 11.786 0.007 -2.370 1.00 0.00 C ATOM 581 C SER A 41 10.957 -1.269 -2.244 1.00 0.00 C ATOM 582 O SER A 41 11.132 -2.214 -3.014 1.00 0.00 O ATOM 583 CB SER A 41 13.150 -0.180 -1.704 1.00 0.00 C ATOM 584 OG SER A 41 14.190 -0.200 -2.663 1.00 0.00 O ATOM 0 H SER A 41 11.644 1.704 -1.141 1.00 0.00 H new ATOM 0 HA SER A 41 11.940 0.216 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.324 0.627 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.156 -1.111 -1.138 1.00 0.00 H new ATOM 0 HG SER A 41 15.051 -0.319 -2.210 1.00 0.00 H new ATOM 590 N GLN A 42 10.051 -1.282 -1.270 1.00 0.00 N ATOM 591 CA GLN A 42 9.183 -2.422 -1.026 1.00 0.00 C ATOM 592 C GLN A 42 8.328 -2.735 -2.248 1.00 0.00 C ATOM 593 O GLN A 42 7.969 -3.886 -2.512 1.00 0.00 O ATOM 594 CB GLN A 42 8.311 -2.105 0.183 1.00 0.00 C ATOM 595 CG GLN A 42 6.920 -1.586 -0.141 1.00 0.00 C ATOM 596 CD GLN A 42 5.869 -2.677 -0.086 1.00 0.00 C ATOM 597 OE1 GLN A 42 5.386 -3.036 0.983 1.00 0.00 O ATOM 598 NE2 GLN A 42 5.512 -3.214 -1.246 1.00 0.00 N ATOM 0 H GLN A 42 9.901 -0.502 -0.630 1.00 0.00 H new ATOM 0 HA GLN A 42 9.786 -3.308 -0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.213 -3.007 0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.824 -1.364 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.657 -0.796 0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.924 -1.139 -1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.939 -2.886 -2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.811 -3.955 -1.271 1.00 0.00 H new ATOM 607 N TYR A 43 8.005 -1.689 -2.980 1.00 0.00 N ATOM 608 CA TYR A 43 7.192 -1.804 -4.182 1.00 0.00 C ATOM 609 C TYR A 43 7.955 -1.339 -5.413 1.00 0.00 C ATOM 610 O TYR A 43 9.165 -1.114 -5.372 1.00 0.00 O ATOM 611 CB TYR A 43 5.884 -1.017 -4.023 1.00 0.00 C ATOM 612 CG TYR A 43 6.070 0.432 -3.652 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.568 1.349 -4.569 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.729 0.890 -2.386 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.725 2.680 -4.232 1.00 0.00 C ATOM 616 CE2 TYR A 43 5.884 2.219 -2.042 1.00 0.00 C ATOM 617 CZ TYR A 43 6.384 3.109 -2.968 1.00 0.00 C ATOM 618 OH TYR A 43 6.542 4.434 -2.631 1.00 0.00 O ATOM 0 H TYR A 43 8.296 -0.736 -2.763 1.00 0.00 H new ATOM 0 HA TYR A 43 6.948 -2.857 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.326 -1.071 -4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.274 -1.500 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.837 1.017 -5.561 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.336 0.196 -1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.113 3.381 -4.956 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.615 2.559 -1.053 1.00 0.00 H new ATOM 0 HH TYR A 43 6.904 4.926 -3.397 1.00 0.00 H new ATOM 628 N THR A 44 7.222 -1.204 -6.500 1.00 0.00 N ATOM 629 CA THR A 44 7.763 -0.774 -7.769 1.00 0.00 C ATOM 630 C THR A 44 6.995 0.435 -8.250 1.00 0.00 C ATOM 631 O THR A 44 5.970 0.321 -8.926 1.00 0.00 O ATOM 632 CB THR A 44 7.676 -1.901 -8.801 1.00 0.00 C ATOM 633 OG1 THR A 44 8.268 -3.084 -8.303 1.00 0.00 O ATOM 634 CG2 THR A 44 8.352 -1.565 -10.114 1.00 0.00 C ATOM 0 H THR A 44 6.220 -1.393 -6.525 1.00 0.00 H new ATOM 0 HA THR A 44 8.813 -0.513 -7.641 1.00 0.00 H new ATOM 0 HB THR A 44 6.611 -2.041 -8.985 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.200 -3.792 -8.977 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.253 -2.406 -10.800 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.882 -0.684 -10.550 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.408 -1.363 -9.938 1.00 0.00 H new ATOM 642 N LYS A 45 7.492 1.591 -7.864 1.00 0.00 N ATOM 643 CA LYS A 45 6.865 2.857 -8.216 1.00 0.00 C ATOM 644 C LYS A 45 6.983 3.131 -9.707 1.00 0.00 C ATOM 645 O LYS A 45 8.012 2.856 -10.325 1.00 0.00 O ATOM 646 CB LYS A 45 7.493 4.023 -7.439 1.00 0.00 C ATOM 647 CG LYS A 45 8.765 3.674 -6.678 1.00 0.00 C ATOM 648 CD LYS A 45 9.321 4.880 -5.942 1.00 0.00 C ATOM 649 CE LYS A 45 9.962 5.869 -6.900 1.00 0.00 C ATOM 650 NZ LYS A 45 10.138 7.212 -6.278 1.00 0.00 N ATOM 0 H LYS A 45 8.337 1.685 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 45 5.811 2.777 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.715 4.829 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.758 4.408 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.557 2.876 -5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.513 3.294 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.520 5.373 -5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.058 4.552 -5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.932 5.488 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.345 5.961 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.578 7.857 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.210 7.588 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.748 7.129 -5.440 1.00 0.00 H new ATOM 664 N GLY A 46 5.917 3.675 -10.271 1.00 0.00 N ATOM 665 CA GLY A 46 5.893 3.992 -11.682 1.00 0.00 C ATOM 666 C GLY A 46 5.051 5.215 -11.971 1.00 0.00 C ATOM 667 O GLY A 46 3.906 5.094 -12.406 1.00 0.00 O ATOM 0 H GLY A 46 5.059 3.905 -9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.911 4.161 -12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.500 3.141 -12.239 1.00 0.00 H new ATOM 671 N THR A 47 5.624 6.394 -11.713 1.00 0.00 N ATOM 672 CA THR A 47 4.943 7.677 -11.932 1.00 0.00 C ATOM 673 C THR A 47 3.466 7.494 -12.270 1.00 0.00 C ATOM 674 O THR A 47 3.121 7.045 -13.364 1.00 0.00 O ATOM 675 CB THR A 47 5.638 8.451 -13.056 1.00 0.00 C ATOM 676 OG1 THR A 47 7.022 8.584 -12.791 1.00 0.00 O ATOM 677 CG2 THR A 47 5.073 9.839 -13.259 1.00 0.00 C ATOM 0 H THR A 47 6.571 6.488 -11.347 1.00 0.00 H new ATOM 0 HA THR A 47 5.001 8.241 -11.001 1.00 0.00 H new ATOM 0 HB THR A 47 5.465 7.869 -13.961 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.449 9.080 -13.521 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.608 10.335 -14.069 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.015 9.768 -13.513 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.188 10.416 -12.342 1.00 0.00 H new ATOM 685 N ASN A 48 2.602 7.848 -11.320 1.00 0.00 N ATOM 686 CA ASN A 48 1.155 7.732 -11.496 1.00 0.00 C ATOM 687 C ASN A 48 0.656 6.359 -11.054 1.00 0.00 C ATOM 688 O ASN A 48 -0.540 6.150 -10.893 1.00 0.00 O ATOM 689 CB ASN A 48 0.748 7.987 -12.952 1.00 0.00 C ATOM 690 CG ASN A 48 1.518 9.131 -13.581 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.056 9.992 -12.885 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.575 9.147 -14.909 1.00 0.00 N ATOM 0 H ASN A 48 2.882 8.221 -10.413 1.00 0.00 H new ATOM 0 HA ASN A 48 0.693 8.493 -10.868 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.911 7.080 -13.535 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.319 8.206 -12.994 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.079 9.893 -15.389 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.115 8.414 -15.448 1.00 0.00 H new ATOM 699 N GLU A 49 1.582 5.430 -10.855 1.00 0.00 N ATOM 700 CA GLU A 49 1.231 4.083 -10.429 1.00 0.00 C ATOM 701 C GLU A 49 2.289 3.512 -9.491 1.00 0.00 C ATOM 702 O GLU A 49 3.404 4.022 -9.416 1.00 0.00 O ATOM 703 CB GLU A 49 1.061 3.169 -11.641 1.00 0.00 C ATOM 704 CG GLU A 49 -0.288 3.302 -12.321 1.00 0.00 C ATOM 705 CD GLU A 49 -0.176 3.387 -13.831 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.777 2.811 -14.387 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.044 4.032 -14.455 1.00 0.00 O ATOM 0 H GLU A 49 2.582 5.585 -10.982 1.00 0.00 H new ATOM 0 HA GLU A 49 0.286 4.137 -9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.846 3.390 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.199 2.134 -11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.911 2.448 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.792 4.193 -11.947 1.00 0.00 H new ATOM 714 N VAL A 50 1.928 2.448 -8.780 1.00 0.00 N ATOM 715 CA VAL A 50 2.850 1.797 -7.845 1.00 0.00 C ATOM 716 C VAL A 50 2.422 0.357 -7.584 1.00 0.00 C ATOM 717 O VAL A 50 1.284 0.102 -7.197 1.00 0.00 O ATOM 718 CB VAL A 50 2.927 2.547 -6.497 1.00 0.00 C ATOM 719 CG1 VAL A 50 4.364 2.605 -6.003 1.00 0.00 C ATOM 720 CG2 VAL A 50 2.341 3.947 -6.616 1.00 0.00 C ATOM 0 H VAL A 50 1.005 2.016 -8.831 1.00 0.00 H new ATOM 0 HA VAL A 50 3.836 1.814 -8.310 1.00 0.00 H new ATOM 0 HB VAL A 50 2.333 1.997 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.401 3.137 -5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.743 1.592 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.980 3.128 -6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.408 4.453 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.899 4.513 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.296 3.880 -6.918 1.00 0.00 H new ATOM 730 N THR A 51 3.331 -0.583 -7.806 1.00 0.00 N ATOM 731 CA THR A 51 3.015 -1.996 -7.601 1.00 0.00 C ATOM 732 C THR A 51 3.818 -2.600 -6.456 1.00 0.00 C ATOM 733 O THR A 51 5.045 -2.570 -6.465 1.00 0.00 O ATOM 734 CB THR A 51 3.274 -2.785 -8.884 1.00 0.00 C ATOM 735 OG1 THR A 51 2.610 -2.185 -9.983 1.00 0.00 O ATOM 736 CG2 THR A 51 2.823 -4.228 -8.805 1.00 0.00 C ATOM 0 H THR A 51 4.283 -0.400 -8.124 1.00 0.00 H new ATOM 0 HA THR A 51 1.959 -2.058 -7.337 1.00 0.00 H new ATOM 0 HB THR A 51 4.356 -2.769 -9.018 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.913 -2.603 -10.816 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.037 -4.728 -9.749 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.356 -4.732 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.751 -4.264 -8.610 1.00 0.00 H new ATOM 744 N LEU A 52 3.118 -3.171 -5.479 1.00 0.00 N ATOM 745 CA LEU A 52 3.798 -3.793 -4.342 1.00 0.00 C ATOM 746 C LEU A 52 4.257 -5.198 -4.690 1.00 0.00 C ATOM 747 O LEU A 52 3.592 -5.909 -5.449 1.00 0.00 O ATOM 748 CB LEU A 52 2.933 -3.843 -3.076 1.00 0.00 C ATOM 749 CG LEU A 52 1.433 -3.586 -3.223 1.00 0.00 C ATOM 750 CD1 LEU A 52 1.158 -2.155 -3.662 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.803 -4.587 -4.176 1.00 0.00 C ATOM 0 H LEU A 52 2.099 -3.217 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 52 4.660 -3.161 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.061 -4.826 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.330 -3.113 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 52 0.973 -3.721 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.083 -2.004 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.557 -1.464 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.637 -1.971 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.264 -4.384 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.271 -4.500 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.949 -5.597 -3.792 1.00 0.00 H new ATOM 763 N LEU A 53 5.404 -5.599 -4.140 1.00 0.00 N ATOM 764 CA LEU A 53 5.941 -6.923 -4.410 1.00 0.00 C ATOM 765 C LEU A 53 5.812 -7.850 -3.204 1.00 0.00 C ATOM 766 O LEU A 53 6.408 -7.626 -2.153 1.00 0.00 O ATOM 767 CB LEU A 53 7.404 -6.826 -4.845 1.00 0.00 C ATOM 768 CG LEU A 53 7.637 -6.144 -6.193 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.099 -5.759 -6.353 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.196 -7.053 -7.331 1.00 0.00 C ATOM 0 H LEU A 53 5.970 -5.029 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 53 5.352 -7.353 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.959 -6.283 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.821 -7.832 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 53 7.039 -5.234 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.244 -5.275 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.384 -5.072 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.719 -6.654 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.368 -6.553 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.768 -7.980 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.135 -7.278 -7.226 1.00 0.00 H new ATOM 782 N ALA A 54 5.034 -8.910 -3.385 1.00 0.00 N ATOM 783 CA ALA A 54 4.799 -9.906 -2.342 1.00 0.00 C ATOM 784 C ALA A 54 6.081 -10.316 -1.620 1.00 0.00 C ATOM 785 O ALA A 54 6.025 -10.982 -0.590 1.00 0.00 O ATOM 786 CB ALA A 54 4.140 -11.134 -2.945 1.00 0.00 C ATOM 0 H ALA A 54 4.547 -9.105 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 54 4.143 -9.448 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.966 -11.874 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.188 -10.852 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.791 -11.558 -3.709 1.00 0.00 H new ATOM 792 N SER A 55 7.231 -9.934 -2.158 1.00 0.00 N ATOM 793 CA SER A 55 8.502 -10.290 -1.541 1.00 0.00 C ATOM 794 C SER A 55 8.704 -9.529 -0.243 1.00 0.00 C ATOM 795 O SER A 55 9.088 -10.110 0.769 1.00 0.00 O ATOM 796 CB SER A 55 9.661 -10.022 -2.500 1.00 0.00 C ATOM 797 OG SER A 55 9.491 -10.727 -3.718 1.00 0.00 O ATOM 0 H SER A 55 7.311 -9.383 -3.012 1.00 0.00 H new ATOM 0 HA SER A 55 8.480 -11.356 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.730 -8.953 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.600 -10.319 -2.032 1.00 0.00 H new ATOM 0 HG SER A 55 10.245 -10.537 -4.314 1.00 0.00 H new ATOM 803 N TYR A 56 8.432 -8.236 -0.276 1.00 0.00 N ATOM 804 CA TYR A 56 8.571 -7.411 0.908 1.00 0.00 C ATOM 805 C TYR A 56 7.393 -7.650 1.826 1.00 0.00 C ATOM 806 O TYR A 56 7.546 -7.994 3.001 1.00 0.00 O ATOM 807 CB TYR A 56 8.615 -5.933 0.533 1.00 0.00 C ATOM 808 CG TYR A 56 8.511 -5.011 1.726 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.273 -4.662 2.254 1.00 0.00 C ATOM 810 CD2 TYR A 56 9.650 -4.489 2.327 1.00 0.00 C ATOM 811 CE1 TYR A 56 7.174 -3.818 3.344 1.00 0.00 C ATOM 812 CE2 TYR A 56 9.560 -3.645 3.418 1.00 0.00 C ATOM 813 CZ TYR A 56 8.321 -3.314 3.923 1.00 0.00 C ATOM 814 OH TYR A 56 8.228 -2.474 5.008 1.00 0.00 O ATOM 0 H TYR A 56 8.115 -7.737 -1.107 1.00 0.00 H new ATOM 0 HA TYR A 56 9.502 -7.677 1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.545 -5.727 0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.800 -5.716 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.374 -5.057 1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.623 -4.747 1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.205 -3.554 3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.455 -3.247 3.872 1.00 0.00 H new ATOM 0 HH TYR A 56 9.127 -2.210 5.295 1.00 0.00 H new ATOM 824 N LEU A 57 6.215 -7.462 1.266 1.00 0.00 N ATOM 825 CA LEU A 57 4.984 -7.649 2.004 1.00 0.00 C ATOM 826 C LEU A 57 4.978 -8.990 2.721 1.00 0.00 C ATOM 827 O LEU A 57 4.553 -9.084 3.872 1.00 0.00 O ATOM 828 CB LEU A 57 3.784 -7.549 1.068 1.00 0.00 C ATOM 829 CG LEU A 57 2.666 -6.652 1.582 1.00 0.00 C ATOM 830 CD1 LEU A 57 3.176 -5.232 1.775 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.480 -6.667 0.630 1.00 0.00 C ATOM 0 H LEU A 57 6.085 -7.178 0.295 1.00 0.00 H new ATOM 0 HA LEU A 57 4.915 -6.860 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.121 -7.173 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.384 -8.549 0.899 1.00 0.00 H new ATOM 0 HG LEU A 57 2.332 -7.037 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.366 -4.601 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.992 -5.234 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.536 -4.842 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.694 -6.019 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.795 -6.308 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.100 -7.684 0.539 1.00 0.00 H new ATOM 843 N ASN A 58 5.457 -10.026 2.043 1.00 0.00 N ATOM 844 CA ASN A 58 5.503 -11.349 2.642 1.00 0.00 C ATOM 845 C ASN A 58 6.475 -11.371 3.819 1.00 0.00 C ATOM 846 O ASN A 58 6.382 -12.226 4.698 1.00 0.00 O ATOM 847 CB ASN A 58 5.909 -12.398 1.607 1.00 0.00 C ATOM 848 CG ASN A 58 5.962 -13.798 2.193 1.00 0.00 C ATOM 849 OD1 ASN A 58 6.713 -14.062 3.133 1.00 0.00 O ATOM 850 ND2 ASN A 58 5.166 -14.703 1.638 1.00 0.00 N ATOM 0 H ASN A 58 5.815 -9.975 1.089 1.00 0.00 H new ATOM 0 HA ASN A 58 4.505 -11.590 3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.201 -12.380 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.886 -12.141 1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.160 -15.661 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.560 -14.441 0.861 1.00 0.00 H new ATOM 857 N THR A 59 7.413 -10.430 3.815 1.00 0.00 N ATOM 858 CA THR A 59 8.414 -10.341 4.873 1.00 0.00 C ATOM 859 C THR A 59 7.937 -9.464 6.022 1.00 0.00 C ATOM 860 O THR A 59 8.393 -9.613 7.155 1.00 0.00 O ATOM 861 CB THR A 59 9.729 -9.801 4.312 1.00 0.00 C ATOM 862 OG1 THR A 59 10.124 -10.527 3.165 1.00 0.00 O ATOM 863 CG2 THR A 59 10.870 -9.858 5.308 1.00 0.00 C ATOM 0 H THR A 59 7.501 -9.717 3.091 1.00 0.00 H new ATOM 0 HA THR A 59 8.575 -11.346 5.263 1.00 0.00 H new ATOM 0 HB THR A 59 9.531 -8.758 4.066 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.520 -10.319 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.775 -9.460 4.848 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.617 -9.263 6.185 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.040 -10.892 5.608 1.00 0.00 H new ATOM 871 N LEU A 60 7.024 -8.544 5.729 1.00 0.00 N ATOM 872 CA LEU A 60 6.497 -7.641 6.750 1.00 0.00 C ATOM 873 C LEU A 60 6.241 -8.381 8.064 1.00 0.00 C ATOM 874 O LEU A 60 6.004 -9.589 8.074 1.00 0.00 O ATOM 875 CB LEU A 60 5.209 -6.982 6.259 1.00 0.00 C ATOM 876 CG LEU A 60 5.410 -5.750 5.379 1.00 0.00 C ATOM 877 CD1 LEU A 60 4.095 -5.016 5.186 1.00 0.00 C ATOM 878 CD2 LEU A 60 6.453 -4.824 5.986 1.00 0.00 C ATOM 0 H LEU A 60 6.634 -8.403 4.797 1.00 0.00 H new ATOM 0 HA LEU A 60 7.245 -6.870 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.632 -7.719 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.611 -6.698 7.125 1.00 0.00 H new ATOM 0 HG LEU A 60 5.769 -6.078 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.256 -4.141 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.375 -5.680 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.709 -4.700 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.583 -3.952 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.123 -4.502 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.402 -5.353 6.075 1.00 0.00 H new ATOM 890 N PRO A 61 6.296 -7.653 9.192 1.00 0.00 N ATOM 891 CA PRO A 61 6.083 -8.232 10.524 1.00 0.00 C ATOM 892 C PRO A 61 4.789 -9.035 10.623 1.00 0.00 C ATOM 893 O PRO A 61 4.074 -9.211 9.638 1.00 0.00 O ATOM 894 CB PRO A 61 6.018 -7.004 11.434 1.00 0.00 C ATOM 895 CG PRO A 61 6.804 -5.961 10.721 1.00 0.00 C ATOM 896 CD PRO A 61 6.583 -6.210 9.253 1.00 0.00 C ATOM 0 HA PRO A 61 6.869 -8.940 10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.988 -6.684 11.593 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.441 -7.216 12.416 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.472 -4.962 11.002 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.862 -6.028 10.974 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.754 -5.618 8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.463 -5.950 8.664 1.00 0.00 H new ATOM 904 N GLU A 62 4.503 -9.521 11.828 1.00 0.00 N ATOM 905 CA GLU A 62 3.301 -10.309 12.081 1.00 0.00 C ATOM 906 C GLU A 62 2.047 -9.482 11.886 1.00 0.00 C ATOM 907 O GLU A 62 2.084 -8.415 11.279 1.00 0.00 O ATOM 908 CB GLU A 62 3.335 -10.881 13.500 1.00 0.00 C ATOM 909 CG GLU A 62 3.076 -9.846 14.582 1.00 0.00 C ATOM 910 CD GLU A 62 3.983 -10.019 15.784 1.00 0.00 C ATOM 911 OE1 GLU A 62 4.539 -11.127 15.954 1.00 0.00 O ATOM 912 OE2 GLU A 62 4.137 -9.054 16.558 1.00 0.00 O ATOM 0 H GLU A 62 5.092 -9.381 12.649 1.00 0.00 H new ATOM 0 HA GLU A 62 3.280 -11.128 11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.590 -11.673 13.581 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.308 -11.340 13.674 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.217 -8.848 14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.037 -9.914 14.903 1.00 0.00 H new ATOM 919 N ASN A 63 0.939 -10.011 12.384 1.00 0.00 N ATOM 920 CA ASN A 63 -0.354 -9.378 12.268 1.00 0.00 C ATOM 921 C ASN A 63 -0.271 -7.865 12.438 1.00 0.00 C ATOM 922 O ASN A 63 -0.723 -7.314 13.442 1.00 0.00 O ATOM 923 CB ASN A 63 -1.325 -9.958 13.302 1.00 0.00 C ATOM 924 CG ASN A 63 -0.628 -10.392 14.577 1.00 0.00 C ATOM 925 OD1 ASN A 63 -0.335 -11.571 14.769 1.00 0.00 O ATOM 926 ND2 ASN A 63 -0.363 -9.436 15.460 1.00 0.00 N ATOM 0 H ASN A 63 0.919 -10.900 12.883 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.721 -9.582 11.262 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.082 -9.212 13.542 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.845 -10.812 12.868 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.101 -9.667 16.338 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.624 -8.470 15.260 1.00 0.00 H new ATOM 933 N THR A 64 0.301 -7.201 11.446 1.00 0.00 N ATOM 934 CA THR A 64 0.443 -5.751 11.471 1.00 0.00 C ATOM 935 C THR A 64 -0.385 -5.108 10.371 1.00 0.00 C ATOM 936 O THR A 64 -0.848 -5.784 9.455 1.00 0.00 O ATOM 937 CB THR A 64 1.912 -5.356 11.310 1.00 0.00 C ATOM 938 OG1 THR A 64 2.545 -6.159 10.326 1.00 0.00 O ATOM 939 CG2 THR A 64 2.709 -5.474 12.591 1.00 0.00 C ATOM 0 H THR A 64 0.677 -7.645 10.608 1.00 0.00 H new ATOM 0 HA THR A 64 0.081 -5.394 12.435 1.00 0.00 H new ATOM 0 HB THR A 64 1.898 -4.308 11.010 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.735 -7.045 10.699 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.742 -5.179 12.405 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.276 -4.823 13.350 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.684 -6.506 12.941 1.00 0.00 H new ATOM 947 N THR A 65 -0.569 -3.798 10.467 1.00 0.00 N ATOM 948 CA THR A 65 -1.343 -3.064 9.475 1.00 0.00 C ATOM 949 C THR A 65 -0.424 -2.398 8.458 1.00 0.00 C ATOM 950 O THR A 65 -0.020 -1.248 8.632 1.00 0.00 O ATOM 951 CB THR A 65 -2.207 -2.008 10.155 1.00 0.00 C ATOM 952 OG1 THR A 65 -2.429 -2.341 11.515 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.557 -1.823 9.499 1.00 0.00 C ATOM 0 H THR A 65 -0.193 -3.222 11.221 1.00 0.00 H new ATOM 0 HA THR A 65 -1.986 -3.773 8.954 1.00 0.00 H new ATOM 0 HB THR A 65 -1.649 -1.076 10.063 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.984 -1.651 11.934 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.119 -1.057 10.033 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.419 -1.515 8.463 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.107 -2.763 9.527 1.00 0.00 H new ATOM 961 N LYS A 66 -0.105 -3.124 7.399 1.00 0.00 N ATOM 962 CA LYS A 66 0.759 -2.604 6.351 1.00 0.00 C ATOM 963 C LYS A 66 0.090 -1.435 5.637 1.00 0.00 C ATOM 964 O LYS A 66 -0.481 -1.590 4.559 1.00 0.00 O ATOM 965 CB LYS A 66 1.120 -3.718 5.359 1.00 0.00 C ATOM 966 CG LYS A 66 1.627 -3.224 4.010 1.00 0.00 C ATOM 967 CD LYS A 66 2.812 -2.287 4.155 1.00 0.00 C ATOM 968 CE LYS A 66 3.697 -2.324 2.917 1.00 0.00 C ATOM 969 NZ LYS A 66 2.918 -2.106 1.666 1.00 0.00 N ATOM 0 H LYS A 66 -0.432 -4.077 7.242 1.00 0.00 H new ATOM 0 HA LYS A 66 1.680 -2.239 6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.882 -4.354 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.241 -4.341 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.913 -4.078 3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.821 -2.710 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.457 -1.270 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.396 -2.568 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.469 -1.559 3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.206 -3.287 2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.459 -2.464 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.012 -2.612 1.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.739 -1.089 1.541 1.00 0.00 H new ATOM 983 N THR A 67 0.152 -0.267 6.252 1.00 0.00 N ATOM 984 CA THR A 67 -0.446 0.916 5.686 1.00 0.00 C ATOM 985 C THR A 67 0.518 1.636 4.763 1.00 0.00 C ATOM 986 O THR A 67 1.548 2.152 5.196 1.00 0.00 O ATOM 987 CB THR A 67 -0.901 1.841 6.804 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.395 3.063 6.284 1.00 0.00 O ATOM 989 CG2 THR A 67 0.184 2.167 7.803 1.00 0.00 C ATOM 0 H THR A 67 0.615 -0.118 7.149 1.00 0.00 H new ATOM 0 HA THR A 67 -1.308 0.615 5.090 1.00 0.00 H new ATOM 0 HB THR A 67 -1.686 1.289 7.321 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.648 3.604 5.953 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.215 2.831 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.539 1.247 8.268 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.012 2.659 7.293 1.00 0.00 H new ATOM 997 N LEU A 68 0.182 1.656 3.483 1.00 0.00 N ATOM 998 CA LEU A 68 1.007 2.304 2.484 1.00 0.00 C ATOM 999 C LEU A 68 0.506 3.715 2.200 1.00 0.00 C ATOM 1000 O LEU A 68 -0.398 3.913 1.392 1.00 0.00 O ATOM 1001 CB LEU A 68 1.010 1.486 1.194 1.00 0.00 C ATOM 1002 CG LEU A 68 -0.117 0.470 1.055 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -0.270 0.034 -0.388 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.126 -0.727 1.955 1.00 0.00 C ATOM 0 H LEU A 68 -0.665 1.226 3.112 1.00 0.00 H new ATOM 0 HA LEU A 68 2.024 2.369 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.962 2.173 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.961 0.959 1.122 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.046 0.947 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.080 -0.691 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.499 0.901 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.659 -0.422 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.690 -1.440 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.066 -1.204 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.177 -0.398 2.993 1.00 0.00 H new ATOM 1016 N THR A 69 1.106 4.693 2.872 1.00 0.00 N ATOM 1017 CA THR A 69 0.728 6.089 2.689 1.00 0.00 C ATOM 1018 C THR A 69 1.532 6.723 1.558 1.00 0.00 C ATOM 1019 O THR A 69 2.686 7.110 1.746 1.00 0.00 O ATOM 1020 CB THR A 69 0.951 6.877 3.982 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.026 6.484 4.978 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.819 8.375 3.803 1.00 0.00 C ATOM 0 H THR A 69 1.855 4.544 3.548 1.00 0.00 H new ATOM 0 HA THR A 69 -0.330 6.120 2.429 1.00 0.00 H new ATOM 0 HB THR A 69 1.974 6.650 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.068 5.512 5.098 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.989 8.872 4.758 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.555 8.721 3.078 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.183 8.612 3.444 1.00 0.00 H new ATOM 1030 N PHE A 70 0.915 6.837 0.387 1.00 0.00 N ATOM 1031 CA PHE A 70 1.573 7.438 -0.758 1.00 0.00 C ATOM 1032 C PHE A 70 1.641 8.952 -0.587 1.00 0.00 C ATOM 1033 O PHE A 70 0.626 9.639 -0.678 1.00 0.00 O ATOM 1034 CB PHE A 70 0.806 7.078 -2.031 1.00 0.00 C ATOM 1035 CG PHE A 70 0.693 5.596 -2.278 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -0.154 4.814 -1.514 1.00 0.00 C ATOM 1037 CD2 PHE A 70 1.438 4.988 -3.276 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -0.258 3.453 -1.741 1.00 0.00 C ATOM 1039 CE2 PHE A 70 1.337 3.630 -3.507 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.486 2.863 -2.739 1.00 0.00 C ATOM 0 H PHE A 70 -0.038 6.520 0.210 1.00 0.00 H new ATOM 0 HA PHE A 70 2.590 7.055 -0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.196 7.504 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.300 7.542 -2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.741 5.271 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.106 5.584 -3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.922 2.854 -1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.924 3.169 -4.288 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.403 1.801 -2.920 1.00 0.00 H new ATOM 1050 N ASP A 71 2.838 9.464 -0.324 1.00 0.00 N ATOM 1051 CA ASP A 71 3.016 10.895 -0.116 1.00 0.00 C ATOM 1052 C ASP A 71 2.806 11.677 -1.401 1.00 0.00 C ATOM 1053 O ASP A 71 3.691 11.770 -2.248 1.00 0.00 O ATOM 1054 CB ASP A 71 4.404 11.185 0.435 1.00 0.00 C ATOM 1055 CG ASP A 71 4.643 12.668 0.652 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.304 13.169 1.746 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.169 13.325 -0.265 1.00 0.00 O ATOM 0 H ASP A 71 3.694 8.914 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 71 2.265 11.214 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.534 10.657 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.154 10.796 -0.254 1.00 0.00 H new ATOM 1062 N PHE A 72 1.616 12.241 -1.518 1.00 0.00 N ATOM 1063 CA PHE A 72 1.240 13.034 -2.675 1.00 0.00 C ATOM 1064 C PHE A 72 1.377 14.523 -2.373 1.00 0.00 C ATOM 1065 O PHE A 72 0.733 15.359 -3.007 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.196 12.721 -3.079 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.299 11.961 -4.366 1.00 0.00 C ATOM 1068 CD1 PHE A 72 0.200 10.679 -4.463 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.891 12.536 -5.474 1.00 0.00 C ATOM 1070 CE1 PHE A 72 0.115 9.982 -5.648 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -0.982 11.843 -6.662 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.476 10.565 -6.745 1.00 0.00 C ATOM 0 H PHE A 72 0.883 12.162 -0.813 1.00 0.00 H new ATOM 0 HA PHE A 72 1.909 12.781 -3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.671 12.144 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.752 13.654 -3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.661 10.218 -3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.287 13.539 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.512 8.980 -5.716 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.448 12.300 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.543 10.019 -7.674 1.00 0.00 H new ATOM 1082 N GLY A 73 2.212 14.848 -1.391 1.00 0.00 N ATOM 1083 CA GLY A 73 2.410 16.236 -1.017 1.00 0.00 C ATOM 1084 C GLY A 73 1.144 16.889 -0.488 1.00 0.00 C ATOM 1085 O GLY A 73 1.121 18.093 -0.236 1.00 0.00 O ATOM 0 H GLY A 73 2.754 14.176 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.189 16.295 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.767 16.794 -1.883 1.00 0.00 H new ATOM 1089 N VAL A 74 0.090 16.095 -0.323 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.174 16.607 0.173 1.00 0.00 C ATOM 1091 C VAL A 74 -1.408 16.182 1.618 1.00 0.00 C ATOM 1092 O VAL A 74 -1.891 16.966 2.437 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.357 16.124 -0.686 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.159 16.534 -2.138 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.522 14.617 -0.568 1.00 0.00 C ATOM 0 H VAL A 74 0.091 15.096 -0.527 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.116 17.694 0.117 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.269 16.595 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.003 16.186 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.093 17.620 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.239 16.091 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.363 14.294 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.612 14.123 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.709 14.352 0.473 1.00 0.00 H new ATOM 1105 N GLY A 75 -1.062 14.936 1.928 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.241 14.431 3.278 1.00 0.00 C ATOM 1107 C GLY A 75 -2.687 14.122 3.601 1.00 0.00 C ATOM 1108 O GLY A 75 -3.101 12.964 3.606 1.00 0.00 O ATOM 0 H GLY A 75 -0.661 14.268 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.644 13.528 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.864 15.166 3.989 1.00 0.00 H new ATOM 1112 N THR A 76 -3.449 15.164 3.874 1.00 0.00 N ATOM 1113 CA THR A 76 -4.862 15.021 4.207 1.00 0.00 C ATOM 1114 C THR A 76 -5.566 14.074 3.240 1.00 0.00 C ATOM 1115 O THR A 76 -6.086 13.034 3.642 1.00 0.00 O ATOM 1116 CB THR A 76 -5.546 16.386 4.178 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.925 17.281 5.084 1.00 0.00 O ATOM 1118 CG2 THR A 76 -7.019 16.328 4.522 1.00 0.00 C ATOM 0 H THR A 76 -3.114 16.127 3.873 1.00 0.00 H new ATOM 0 HA THR A 76 -4.929 14.599 5.210 1.00 0.00 H new ATOM 0 HB THR A 76 -5.445 16.735 3.150 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.378 18.149 5.048 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.442 17.332 4.482 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.535 15.688 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.142 15.922 5.526 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.581 14.447 1.965 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.224 13.640 0.938 1.00 0.00 C ATOM 1128 C LYS A 77 -5.269 12.593 0.375 1.00 0.00 C ATOM 1129 O LYS A 77 -5.557 11.955 -0.632 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.751 14.530 -0.191 1.00 0.00 C ATOM 1131 CG LYS A 77 -5.913 15.776 -0.425 1.00 0.00 C ATOM 1132 CD LYS A 77 -5.988 16.233 -1.873 1.00 0.00 C ATOM 1133 CE LYS A 77 -5.365 17.610 -2.052 1.00 0.00 C ATOM 1134 NZ LYS A 77 -6.376 18.696 -1.933 1.00 0.00 N ATOM 0 H LYS A 77 -5.153 15.306 1.619 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.062 13.120 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.789 13.949 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.774 14.828 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.259 16.577 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.875 15.573 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.474 15.514 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.029 16.258 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.586 17.756 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.884 17.667 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.912 19.618 -2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.106 18.572 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.817 18.658 -0.992 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.133 12.422 1.039 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.133 11.450 0.607 1.00 0.00 C ATOM 1150 C ASN A 78 -3.733 10.046 0.533 1.00 0.00 C ATOM 1151 O ASN A 78 -4.210 9.512 1.536 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.941 11.463 1.567 1.00 0.00 C ATOM 1153 CG ASN A 78 -0.939 10.359 1.290 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.278 9.316 0.729 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.303 10.582 1.687 1.00 0.00 N ATOM 0 H ASN A 78 -3.880 12.943 1.879 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.792 11.728 -0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.438 12.427 1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.305 11.366 2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.023 9.876 1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.541 11.460 2.148 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.710 9.424 -0.653 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.249 8.075 -0.844 1.00 0.00 C ATOM 1164 C PRO A 79 -3.476 7.028 -0.051 1.00 0.00 C ATOM 1165 O PRO A 79 -2.421 6.560 -0.478 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.093 7.826 -2.348 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.045 8.784 -2.798 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.156 9.983 -1.897 1.00 0.00 C ATOM 0 HA PRO A 79 -5.279 8.000 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.796 6.796 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.032 7.995 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.054 8.336 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.197 9.065 -3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.186 10.452 -1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.810 10.745 -2.321 1.00 0.00 H new ATOM 1176 N LYS A 80 -4.008 6.670 1.108 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.374 5.676 1.964 1.00 0.00 C ATOM 1178 C LYS A 80 -4.046 4.319 1.792 1.00 0.00 C ATOM 1179 O LYS A 80 -5.263 4.239 1.635 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.447 6.112 3.427 1.00 0.00 C ATOM 1181 CG LYS A 80 -2.515 7.262 3.769 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.267 8.582 3.853 1.00 0.00 C ATOM 1183 CE LYS A 80 -3.327 9.098 5.283 1.00 0.00 C ATOM 1184 NZ LYS A 80 -4.729 9.337 5.727 1.00 0.00 N ATOM 0 H LYS A 80 -4.878 7.053 1.478 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.327 5.589 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.471 6.405 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.207 5.260 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.022 7.062 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.733 7.335 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.779 9.321 3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.279 8.451 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.853 8.378 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.759 10.025 5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.728 9.688 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.174 10.043 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.265 8.447 5.679 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.251 3.255 1.812 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.781 1.912 1.654 1.00 0.00 C ATOM 1200 C LEU A 81 -3.440 1.040 2.859 1.00 0.00 C ATOM 1201 O LEU A 81 -2.285 0.678 3.064 1.00 0.00 O ATOM 1202 CB LEU A 81 -3.234 1.273 0.375 1.00 0.00 C ATOM 1203 CG LEU A 81 -4.121 1.442 -0.853 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.365 2.156 -1.961 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.622 0.087 -1.336 1.00 0.00 C ATOM 0 H LEU A 81 -2.240 3.299 1.936 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.866 1.986 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.255 1.702 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.083 0.208 0.553 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.982 2.051 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.013 2.268 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.052 3.140 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.487 1.573 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.254 0.224 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.772 -0.544 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.199 -0.391 -0.544 1.00 0.00 H new ATOM 1217 N THR A 82 -4.445 0.705 3.659 1.00 0.00 N ATOM 1218 CA THR A 82 -4.220 -0.115 4.841 1.00 0.00 C ATOM 1219 C THR A 82 -4.449 -1.593 4.536 1.00 0.00 C ATOM 1220 O THR A 82 -5.585 -2.036 4.363 1.00 0.00 O ATOM 1221 CB THR A 82 -5.129 0.325 5.988 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.209 -0.675 6.981 1.00 0.00 O ATOM 1223 CG2 THR A 82 -6.539 0.650 5.548 1.00 0.00 C ATOM 0 H THR A 82 -5.415 0.986 3.512 1.00 0.00 H new ATOM 0 HA THR A 82 -3.181 0.020 5.142 1.00 0.00 H new ATOM 0 HB THR A 82 -4.671 1.233 6.381 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.795 -0.371 7.705 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.129 0.955 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.515 1.461 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.991 -0.232 5.093 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.358 -2.353 4.484 1.00 0.00 N ATOM 1232 CA ILE A 83 -3.436 -3.782 4.211 1.00 0.00 C ATOM 1233 C ILE A 83 -2.999 -4.586 5.437 1.00 0.00 C ATOM 1234 O ILE A 83 -1.884 -4.427 5.936 1.00 0.00 O ATOM 1235 CB ILE A 83 -2.574 -4.170 2.992 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -2.720 -5.654 2.665 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -1.120 -3.826 3.242 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.983 -6.062 1.407 1.00 0.00 C ATOM 0 H ILE A 83 -2.411 -2.002 4.627 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.475 -4.018 3.981 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.928 -3.599 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.348 -6.243 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.778 -5.892 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.525 -4.106 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.025 -2.754 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.763 -4.370 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.127 -7.128 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.371 -5.498 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.920 -5.854 1.525 1.00 0.00 H new ATOM 1250 N THR A 84 -3.898 -5.434 5.930 1.00 0.00 N ATOM 1251 CA THR A 84 -3.624 -6.246 7.110 1.00 0.00 C ATOM 1252 C THR A 84 -2.701 -7.413 6.783 1.00 0.00 C ATOM 1253 O THR A 84 -3.067 -8.317 6.035 1.00 0.00 O ATOM 1254 CB THR A 84 -4.931 -6.768 7.703 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.988 -5.855 7.476 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.853 -7.018 9.195 1.00 0.00 C ATOM 0 H THR A 84 -4.825 -5.576 5.528 1.00 0.00 H new ATOM 0 HA THR A 84 -3.121 -5.613 7.840 1.00 0.00 H new ATOM 0 HB THR A 84 -5.116 -7.717 7.199 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.715 -6.032 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.814 -7.387 9.553 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.080 -7.759 9.400 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.608 -6.088 9.708 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.506 -7.388 7.360 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.526 -8.446 7.146 1.00 0.00 C ATOM 1266 C VAL A 85 -0.498 -9.408 8.330 1.00 0.00 C ATOM 1267 O VAL A 85 0.137 -9.133 9.347 1.00 0.00 O ATOM 1268 CB VAL A 85 0.891 -7.880 6.931 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.391 -8.209 5.535 1.00 0.00 C ATOM 1270 CG2 VAL A 85 0.931 -6.378 7.175 1.00 0.00 C ATOM 0 H VAL A 85 -1.191 -6.644 7.982 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.832 -8.978 6.245 1.00 0.00 H new ATOM 0 HB VAL A 85 1.553 -8.352 7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.393 -7.801 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.419 -9.291 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.720 -7.772 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.945 -6.010 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.251 -5.879 6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.626 -6.168 8.200 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.194 -10.532 8.195 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.240 -11.529 9.264 1.00 0.00 C ATOM 1282 C LEU A 86 0.076 -12.288 9.358 1.00 0.00 C ATOM 1283 O LEU A 86 0.855 -12.317 8.406 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.394 -12.510 9.034 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.632 -11.912 8.362 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -4.812 -12.862 8.481 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -3.970 -10.562 8.977 1.00 0.00 C ATOM 0 H LEU A 86 -1.731 -10.776 7.363 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.404 -11.004 10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.031 -13.336 8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.689 -12.931 9.995 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.414 -11.764 7.304 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.684 -12.421 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.568 -13.808 7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.031 -13.040 9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.853 -10.150 8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.170 -10.687 10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.130 -9.881 8.843 1.00 0.00 H new