USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=32 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= -4.3! C(o=-8.7!,f=-7.5!) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -3.41! C(o=-8.7!,f=-7.5!) USER MOD Set 1.3: A 85 THR OG1 : rot 124:sc= 0.239 USER MOD Set 2.1: A 27 GLN : amide:sc= -15.3! C(o=-15!,f=-20!) USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.104 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -78:sc= 0.428 USER MOD Single : A 6 THR OG1 : rot -154:sc= 0.00132 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 11 SER OG : rot -37:sc= -1.31 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 51:sc= 0.161! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.48 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -130:sc= -0.143 USER MOD Single : A 54 SER OG : rot 31:sc= 0.22 USER MOD Single : A 56 THR OG1 : rot -52:sc= -5.56! USER MOD Single : A 60 ASN : amide:sc= -0.0189 X(o=-0.019,f=0.047) USER MOD Single : A 62 SER OG : rot 5:sc= -0.0889 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00929 USER MOD Single : A 65 THR OG1 : rot -120:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.93 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 95:sc= 0.379 USER MOD Single : A 89 THR OG1 : rot -31:sc= 0.302 USER MOD Single : A 90 THR OG1 : rot 17:sc= 0.392 USER MOD Single : A 94 GLN : amide:sc= 0.654 K(o=0.65,f=-1.3) USER MOD Single : A 98 SER OG : rot 150:sc= -0.0816 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.446 F(o=-1.2,f=-0.45) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 113 ASN : amide:sc= -0.833 K(o=-0.83,f=-3!) USER MOD Single : A 130 NCZ O2 : rot 171:sc= 1.11 USER MOD Single : A 130 NCZ O5 : rot 95:sc= -0.287 USER MOD Single : A 130 NCZ O6 : rot 79:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.102 -6.342 14.272 1.00 0.00 N ATOM 2 CA ALA A 1 -7.976 -5.425 14.293 1.00 0.00 C ATOM 3 C ALA A 1 -7.551 -5.114 12.854 1.00 0.00 C ATOM 4 O ALA A 1 -7.848 -5.878 11.938 1.00 0.00 O ATOM 5 CB ALA A 1 -6.839 -6.028 15.119 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.979 -5.819 14.469 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.169 -6.789 13.335 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.966 -7.076 14.996 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.257 -4.484 14.766 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.995 -5.339 15.134 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.183 -6.203 16.139 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.528 -6.973 14.674 1.00 0.00 H new ATOM 11 N ALA A 2 -6.861 -3.992 12.705 1.00 0.00 N ATOM 12 CA ALA A 2 -6.393 -3.572 11.394 1.00 0.00 C ATOM 13 C ALA A 2 -7.597 -3.272 10.500 1.00 0.00 C ATOM 14 O ALA A 2 -7.912 -4.049 9.601 1.00 0.00 O ATOM 15 CB ALA A 2 -5.482 -4.654 10.807 1.00 0.00 C ATOM 0 H ALA A 2 -6.615 -3.362 13.469 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.805 -2.658 11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.131 -4.340 9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.627 -4.807 11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.039 -5.586 10.712 1.00 0.00 H new ATOM 21 N PRO A 3 -8.251 -2.115 10.785 1.00 0.00 N ATOM 22 CA PRO A 3 -9.413 -1.704 10.015 1.00 0.00 C ATOM 23 C PRO A 3 -8.999 -1.172 8.640 1.00 0.00 C ATOM 24 O PRO A 3 -7.823 -1.205 8.287 1.00 0.00 O ATOM 25 CB PRO A 3 -10.103 -0.657 10.873 1.00 0.00 C ATOM 26 CG PRO A 3 -9.060 -0.185 11.874 1.00 0.00 C ATOM 27 CD PRO A 3 -7.903 -1.172 11.843 1.00 0.00 C ATOM 0 HA PRO A 3 -10.089 -2.531 9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.463 0.172 10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.970 -1.078 11.382 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.714 0.817 11.621 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.489 -0.131 12.875 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.959 -0.670 11.631 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.787 -1.677 12.802 1.00 0.00 H new ATOM 35 N THR A 4 -9.992 -0.696 7.904 1.00 0.00 N ATOM 36 CA THR A 4 -9.747 -0.158 6.576 1.00 0.00 C ATOM 37 C THR A 4 -9.146 -1.232 5.669 1.00 0.00 C ATOM 38 O THR A 4 -9.301 -2.425 5.926 1.00 0.00 O ATOM 39 CB THR A 4 -8.858 1.080 6.723 1.00 0.00 C ATOM 40 OG1 THR A 4 -7.531 0.559 6.696 1.00 0.00 O ATOM 41 CG2 THR A 4 -8.976 1.723 8.106 1.00 0.00 C ATOM 0 H THR A 4 -10.967 -0.671 8.201 1.00 0.00 H new ATOM 0 HA THR A 4 -10.677 0.147 6.095 1.00 0.00 H new ATOM 0 HB THR A 4 -9.122 1.810 5.958 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.313 0.174 7.571 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.326 2.596 8.158 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.008 2.028 8.278 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.678 1.003 8.868 1.00 0.00 H new ATOM 49 N ALA A 5 -8.476 -0.770 4.622 1.00 0.00 N ATOM 50 CA ALA A 5 -7.852 -1.678 3.674 1.00 0.00 C ATOM 51 C ALA A 5 -6.712 -2.428 4.367 1.00 0.00 C ATOM 52 O ALA A 5 -5.757 -1.813 4.840 1.00 0.00 O ATOM 53 CB ALA A 5 -7.376 -0.891 2.452 1.00 0.00 C ATOM 0 H ALA A 5 -8.352 0.220 4.410 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.569 -2.421 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.908 -1.571 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.228 -0.402 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.652 -0.138 2.764 1.00 0.00 H new ATOM 59 N THR A 6 -6.849 -3.745 4.404 1.00 0.00 N ATOM 60 CA THR A 6 -5.843 -4.585 5.031 1.00 0.00 C ATOM 61 C THR A 6 -5.647 -5.872 4.226 1.00 0.00 C ATOM 62 O THR A 6 -6.600 -6.406 3.661 1.00 0.00 O ATOM 63 CB THR A 6 -6.269 -4.832 6.479 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.691 -4.869 6.420 1.00 0.00 O ATOM 65 CG2 THR A 6 -5.964 -3.641 7.391 1.00 0.00 C ATOM 0 H THR A 6 -7.642 -4.251 4.010 1.00 0.00 H new ATOM 0 HA THR A 6 -4.869 -4.095 5.043 1.00 0.00 H new ATOM 0 HB THR A 6 -5.763 -5.719 6.860 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.061 -4.617 7.292 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.286 -3.869 8.407 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.892 -3.444 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.496 -2.761 7.030 1.00 0.00 H new ATOM 73 N VAL A 7 -4.404 -6.331 4.201 1.00 0.00 N ATOM 74 CA VAL A 7 -4.070 -7.545 3.475 1.00 0.00 C ATOM 75 C VAL A 7 -4.373 -8.760 4.356 1.00 0.00 C ATOM 76 O VAL A 7 -4.080 -8.752 5.551 1.00 0.00 O ATOM 77 CB VAL A 7 -2.614 -7.492 3.008 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.408 -8.352 1.760 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.170 -6.048 2.761 1.00 0.00 C ATOM 0 H VAL A 7 -3.617 -5.885 4.671 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.681 -7.634 2.577 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.991 -7.902 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.365 -8.297 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.666 -9.387 1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.046 -7.986 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.132 -6.038 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.800 -5.600 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.262 -5.476 3.684 1.00 0.00 H new ATOM 89 N THR A 8 -4.953 -9.774 3.731 1.00 0.00 N ATOM 90 CA THR A 8 -5.295 -10.993 4.444 1.00 0.00 C ATOM 91 C THR A 8 -4.242 -11.306 5.507 1.00 0.00 C ATOM 92 O THR A 8 -4.570 -11.481 6.679 1.00 0.00 O ATOM 93 CB THR A 8 -5.468 -12.110 3.412 1.00 0.00 C ATOM 94 OG1 THR A 8 -6.878 -12.321 3.361 1.00 0.00 O ATOM 95 CG2 THR A 8 -4.909 -13.449 3.900 1.00 0.00 C ATOM 0 H THR A 8 -5.195 -9.777 2.740 1.00 0.00 H new ATOM 0 HA THR A 8 -6.233 -10.882 4.987 1.00 0.00 H new ATOM 0 HB THR A 8 -4.973 -11.826 2.483 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.080 -13.029 2.714 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.057 -14.207 3.131 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.844 -13.345 4.107 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.428 -13.750 4.810 1.00 0.00 H new ATOM 103 N PRO A 9 -2.962 -11.366 5.048 1.00 0.00 N ATOM 104 CA PRO A 9 -1.859 -11.655 5.947 1.00 0.00 C ATOM 105 C PRO A 9 -1.527 -10.437 6.814 1.00 0.00 C ATOM 106 O PRO A 9 -2.370 -9.567 7.018 1.00 0.00 O ATOM 107 CB PRO A 9 -0.711 -12.069 5.040 1.00 0.00 C ATOM 108 CG PRO A 9 -1.068 -11.553 3.655 1.00 0.00 C ATOM 109 CD PRO A 9 -2.536 -11.162 3.667 1.00 0.00 C ATOM 0 HA PRO A 9 -2.092 -12.447 6.659 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.232 -11.644 5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.589 -13.152 5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.447 -10.696 3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.883 -12.320 2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.672 -10.125 3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.115 -11.777 2.979 1.00 0.00 H new ATOM 117 N SER A 10 -0.294 -10.418 7.301 1.00 0.00 N ATOM 118 CA SER A 10 0.161 -9.324 8.142 1.00 0.00 C ATOM 119 C SER A 10 1.642 -9.044 7.882 1.00 0.00 C ATOM 120 O SER A 10 1.994 -7.996 7.346 1.00 0.00 O ATOM 121 CB SER A 10 -0.070 -9.635 9.622 1.00 0.00 C ATOM 122 OG SER A 10 0.555 -10.853 10.016 1.00 0.00 O ATOM 0 H SER A 10 0.403 -11.142 7.129 1.00 0.00 H new ATOM 0 HA SER A 10 -0.418 -8.436 7.891 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.317 -8.816 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.141 -9.698 9.816 1.00 0.00 H new ATOM 0 HG SER A 10 0.385 -11.015 10.968 1.00 0.00 H new ATOM 128 N SER A 11 2.471 -10.000 8.276 1.00 0.00 N ATOM 129 CA SER A 11 3.905 -9.871 8.092 1.00 0.00 C ATOM 130 C SER A 11 4.464 -11.130 7.425 1.00 0.00 C ATOM 131 O SER A 11 3.717 -12.059 7.121 1.00 0.00 O ATOM 132 CB SER A 11 4.610 -9.619 9.426 1.00 0.00 C ATOM 133 OG SER A 11 4.980 -8.253 9.585 1.00 0.00 O ATOM 0 H SER A 11 2.175 -10.868 8.723 1.00 0.00 H new ATOM 0 HA SER A 11 4.091 -9.013 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.953 -9.914 10.244 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.500 -10.245 9.490 1.00 0.00 H new ATOM 0 HG SER A 11 5.260 -7.887 8.720 1.00 0.00 H new ATOM 139 N GLY A 12 5.773 -11.121 7.218 1.00 0.00 N ATOM 140 CA GLY A 12 6.439 -12.252 6.593 1.00 0.00 C ATOM 141 C GLY A 12 5.840 -12.549 5.219 1.00 0.00 C ATOM 142 O GLY A 12 5.448 -13.682 4.941 1.00 0.00 O ATOM 0 H GLY A 12 6.390 -10.349 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.504 -12.041 6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.347 -13.131 7.231 1.00 0.00 H new ATOM 146 N LEU A 13 5.786 -11.514 4.394 1.00 0.00 N ATOM 147 CA LEU A 13 5.239 -11.652 3.055 1.00 0.00 C ATOM 148 C LEU A 13 6.365 -12.022 2.086 1.00 0.00 C ATOM 149 O LEU A 13 7.515 -12.178 2.494 1.00 0.00 O ATOM 150 CB LEU A 13 4.477 -10.387 2.654 1.00 0.00 C ATOM 151 CG LEU A 13 3.192 -10.104 3.436 1.00 0.00 C ATOM 152 CD1 LEU A 13 2.397 -8.967 2.790 1.00 0.00 C ATOM 153 CD2 LEU A 13 2.353 -11.373 3.591 1.00 0.00 C ATOM 0 H LEU A 13 6.112 -10.576 4.627 1.00 0.00 H new ATOM 0 HA LEU A 13 4.509 -12.461 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.144 -9.533 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.227 -10.457 1.595 1.00 0.00 H new ATOM 0 HG LEU A 13 3.468 -9.776 4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.489 -8.786 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.004 -8.062 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.132 -9.243 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.446 -11.143 4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.085 -11.755 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.929 -12.127 4.128 1.00 0.00 H new ATOM 165 N SER A 14 5.993 -12.155 0.820 1.00 0.00 N ATOM 166 CA SER A 14 6.957 -12.506 -0.208 1.00 0.00 C ATOM 167 C SER A 14 6.898 -11.486 -1.349 1.00 0.00 C ATOM 168 O SER A 14 5.840 -10.925 -1.631 1.00 0.00 O ATOM 169 CB SER A 14 6.703 -13.915 -0.745 1.00 0.00 C ATOM 170 OG SER A 14 7.894 -14.525 -1.235 1.00 0.00 O ATOM 0 H SER A 14 5.038 -12.026 0.484 1.00 0.00 H new ATOM 0 HA SER A 14 7.952 -12.490 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.279 -14.533 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.964 -13.870 -1.545 1.00 0.00 H new ATOM 0 HG SER A 14 7.688 -15.424 -1.567 1.00 0.00 H new ATOM 176 N ASP A 15 8.050 -11.277 -1.973 1.00 0.00 N ATOM 177 CA ASP A 15 8.141 -10.336 -3.075 1.00 0.00 C ATOM 178 C ASP A 15 7.137 -10.727 -4.161 1.00 0.00 C ATOM 179 O ASP A 15 7.504 -11.348 -5.156 1.00 0.00 O ATOM 180 CB ASP A 15 9.540 -10.352 -3.697 1.00 0.00 C ATOM 181 CG ASP A 15 9.704 -9.476 -4.941 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.848 -9.407 -5.437 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.683 -8.896 -5.365 1.00 0.00 O ATOM 0 H ASP A 15 8.926 -11.743 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 15 7.929 -9.340 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.259 -10.028 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.793 -11.379 -3.958 1.00 0.00 H new ATOM 189 N GLY A 16 5.889 -10.348 -3.931 1.00 0.00 N ATOM 190 CA GLY A 16 4.829 -10.651 -4.877 1.00 0.00 C ATOM 191 C GLY A 16 3.767 -11.553 -4.242 1.00 0.00 C ATOM 192 O GLY A 16 3.272 -12.480 -4.881 1.00 0.00 O ATOM 0 H GLY A 16 5.588 -9.834 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.367 -9.725 -5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.250 -11.141 -5.755 1.00 0.00 H new ATOM 196 N THR A 17 3.452 -11.250 -2.991 1.00 0.00 N ATOM 197 CA THR A 17 2.459 -12.021 -2.261 1.00 0.00 C ATOM 198 C THR A 17 1.048 -11.578 -2.652 1.00 0.00 C ATOM 199 O THR A 17 0.604 -10.495 -2.270 1.00 0.00 O ATOM 200 CB THR A 17 2.751 -11.876 -0.767 1.00 0.00 C ATOM 201 OG1 THR A 17 3.992 -12.552 -0.589 1.00 0.00 O ATOM 202 CG2 THR A 17 1.766 -12.664 0.101 1.00 0.00 C ATOM 0 H THR A 17 3.867 -10.481 -2.464 1.00 0.00 H new ATOM 0 HA THR A 17 2.515 -13.080 -2.515 1.00 0.00 H new ATOM 0 HB THR A 17 2.715 -10.822 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.642 -12.221 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.018 -12.527 1.153 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.753 -12.304 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.825 -13.723 -0.151 1.00 0.00 H new ATOM 210 N VAL A 18 0.381 -12.438 -3.409 1.00 0.00 N ATOM 211 CA VAL A 18 -0.972 -12.147 -3.854 1.00 0.00 C ATOM 212 C VAL A 18 -1.957 -12.493 -2.736 1.00 0.00 C ATOM 213 O VAL A 18 -1.985 -13.625 -2.255 1.00 0.00 O ATOM 214 CB VAL A 18 -1.264 -12.891 -5.159 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.471 -12.285 -5.878 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.034 -12.904 -6.069 1.00 0.00 C ATOM 0 H VAL A 18 0.751 -13.334 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.084 -11.084 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.507 -13.924 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.657 -12.832 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.348 -12.351 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.269 -11.239 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.268 -13.439 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.253 -11.880 -6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.790 -13.403 -5.559 1.00 0.00 H new ATOM 226 N VAL A 19 -2.744 -11.497 -2.355 1.00 0.00 N ATOM 227 CA VAL A 19 -3.729 -11.682 -1.303 1.00 0.00 C ATOM 228 C VAL A 19 -4.902 -10.727 -1.535 1.00 0.00 C ATOM 229 O VAL A 19 -4.894 -9.949 -2.486 1.00 0.00 O ATOM 230 CB VAL A 19 -3.071 -11.499 0.067 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.751 -12.852 0.706 1.00 0.00 C ATOM 232 CG2 VAL A 19 -1.815 -10.632 -0.039 1.00 0.00 C ATOM 0 H VAL A 19 -2.719 -10.560 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.127 -12.697 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.781 -10.982 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.284 -12.694 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.672 -13.421 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.069 -13.406 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.367 -10.518 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.099 -11.108 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.082 -9.651 -0.432 1.00 0.00 H new ATOM 242 N LYS A 20 -5.882 -10.820 -0.648 1.00 0.00 N ATOM 243 CA LYS A 20 -7.061 -9.973 -0.744 1.00 0.00 C ATOM 244 C LYS A 20 -6.925 -8.806 0.233 1.00 0.00 C ATOM 245 O LYS A 20 -6.496 -8.991 1.372 1.00 0.00 O ATOM 246 CB LYS A 20 -8.332 -10.802 -0.544 1.00 0.00 C ATOM 247 CG LYS A 20 -8.526 -11.160 0.931 1.00 0.00 C ATOM 248 CD LYS A 20 -9.669 -10.353 1.548 1.00 0.00 C ATOM 249 CE LYS A 20 -10.733 -11.277 2.145 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.054 -11.008 1.535 1.00 0.00 N ATOM 0 H LYS A 20 -5.885 -11.468 0.140 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.143 -9.543 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.196 -10.242 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.273 -11.714 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.737 -12.225 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.604 -10.968 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.277 -9.695 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.121 -9.716 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.454 -12.318 1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.787 -11.130 3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.764 -11.643 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.325 -10.020 1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.002 -11.171 0.509 1.00 0.00 H new ATOM 264 N VAL A 21 -7.302 -7.630 -0.245 1.00 0.00 N ATOM 265 CA VAL A 21 -7.227 -6.430 0.572 1.00 0.00 C ATOM 266 C VAL A 21 -8.640 -5.889 0.804 1.00 0.00 C ATOM 267 O VAL A 21 -9.206 -5.230 -0.065 1.00 0.00 O ATOM 268 CB VAL A 21 -6.295 -5.408 -0.078 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.040 -4.223 0.856 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.980 -6.061 -0.509 1.00 0.00 C ATOM 0 H VAL A 21 -7.661 -7.482 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.801 -6.660 1.549 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.789 -5.027 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.374 -3.512 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.986 -3.733 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.579 -4.579 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.335 -5.312 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.481 -6.484 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.186 -6.853 -1.229 1.00 0.00 H new ATOM 280 N ALA A 22 -9.168 -6.188 1.983 1.00 0.00 N ATOM 281 CA ALA A 22 -10.503 -5.740 2.341 1.00 0.00 C ATOM 282 C ALA A 22 -10.410 -4.385 3.046 1.00 0.00 C ATOM 283 O ALA A 22 -9.640 -4.223 3.992 1.00 0.00 O ATOM 284 CB ALA A 22 -11.182 -6.801 3.209 1.00 0.00 C ATOM 0 H ALA A 22 -8.695 -6.735 2.702 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.115 -5.607 1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.184 -6.465 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.250 -7.736 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.597 -6.959 4.115 1.00 0.00 H new ATOM 290 N GLY A 23 -11.202 -3.444 2.554 1.00 0.00 N ATOM 291 CA GLY A 23 -11.220 -2.107 3.125 1.00 0.00 C ATOM 292 C GLY A 23 -12.584 -1.792 3.743 1.00 0.00 C ATOM 293 O GLY A 23 -13.516 -1.403 3.040 1.00 0.00 O ATOM 0 H GLY A 23 -11.836 -3.580 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.444 -2.022 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.989 -1.374 2.352 1.00 0.00 H new ATOM 297 N ALA A 24 -12.658 -1.970 5.055 1.00 0.00 N ATOM 298 CA ALA A 24 -13.890 -1.710 5.777 1.00 0.00 C ATOM 299 C ALA A 24 -13.859 -0.286 6.335 1.00 0.00 C ATOM 300 O ALA A 24 -13.026 0.034 7.180 1.00 0.00 O ATOM 301 CB ALA A 24 -14.072 -2.763 6.873 1.00 0.00 C ATOM 0 H ALA A 24 -11.883 -2.291 5.636 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.749 -1.783 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.997 -2.568 7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.118 -3.754 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.230 -2.718 7.564 1.00 0.00 H new ATOM 307 N GLY A 25 -14.778 0.529 5.840 1.00 0.00 N ATOM 308 CA GLY A 25 -14.867 1.911 6.278 1.00 0.00 C ATOM 309 C GLY A 25 -13.919 2.804 5.475 1.00 0.00 C ATOM 310 O GLY A 25 -13.612 3.922 5.887 1.00 0.00 O ATOM 0 H GLY A 25 -15.468 0.259 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.891 2.267 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.623 1.976 7.338 1.00 0.00 H new ATOM 314 N LEU A 26 -13.480 2.276 4.341 1.00 0.00 N ATOM 315 CA LEU A 26 -12.573 3.010 3.474 1.00 0.00 C ATOM 316 C LEU A 26 -13.381 3.935 2.563 1.00 0.00 C ATOM 317 O LEU A 26 -14.430 4.442 2.960 1.00 0.00 O ATOM 318 CB LEU A 26 -11.658 2.048 2.718 1.00 0.00 C ATOM 319 CG LEU A 26 -10.168 2.394 2.721 1.00 0.00 C ATOM 320 CD1 LEU A 26 -9.339 1.261 2.115 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.914 3.728 2.016 1.00 0.00 C ATOM 0 H LEU A 26 -13.736 1.348 4.003 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.911 3.643 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.780 1.052 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.996 1.995 1.683 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.847 2.509 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.284 1.534 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.487 0.351 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.655 1.089 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.847 3.951 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.256 3.664 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.458 4.521 2.530 1.00 0.00 H new ATOM 333 N GLN A 27 -12.865 4.127 1.358 1.00 0.00 N ATOM 334 CA GLN A 27 -13.524 4.982 0.388 1.00 0.00 C ATOM 335 C GLN A 27 -15.021 4.665 0.332 1.00 0.00 C ATOM 336 O GLN A 27 -15.449 3.818 -0.452 1.00 0.00 O ATOM 337 CB GLN A 27 -12.884 4.842 -0.993 1.00 0.00 C ATOM 338 CG GLN A 27 -11.490 5.475 -1.017 1.00 0.00 C ATOM 339 CD GLN A 27 -11.496 6.840 -0.323 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.082 7.800 -0.793 1.00 0.00 O ATOM 341 NE2 GLN A 27 -10.812 6.870 0.817 1.00 0.00 N ATOM 0 H GLN A 27 -11.996 3.704 1.032 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.402 6.018 0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.813 3.788 -1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.517 5.319 -1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.778 4.814 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.156 5.589 -2.048 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.344 6.028 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.755 7.735 1.355 1.00 0.00 H new ATOM 350 N ALA A 28 -15.773 5.361 1.172 1.00 0.00 N ATOM 351 CA ALA A 28 -17.212 5.162 1.227 1.00 0.00 C ATOM 352 C ALA A 28 -17.816 5.450 -0.150 1.00 0.00 C ATOM 353 O ALA A 28 -18.290 6.556 -0.403 1.00 0.00 O ATOM 354 CB ALA A 28 -17.806 6.049 2.323 1.00 0.00 C ATOM 0 H ALA A 28 -15.414 6.063 1.819 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.449 4.128 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.885 5.901 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.365 5.784 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.592 7.094 2.101 1.00 0.00 H new ATOM 360 N GLY A 29 -17.777 4.436 -1.001 1.00 0.00 N ATOM 361 CA GLY A 29 -18.314 4.566 -2.343 1.00 0.00 C ATOM 362 C GLY A 29 -17.382 5.393 -3.230 1.00 0.00 C ATOM 363 O GLY A 29 -17.729 5.730 -4.361 1.00 0.00 O ATOM 0 H GLY A 29 -17.381 3.521 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.454 3.577 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.296 5.038 -2.301 1.00 0.00 H new ATOM 367 N THR A 30 -16.213 5.696 -2.684 1.00 0.00 N ATOM 368 CA THR A 30 -15.227 6.477 -3.410 1.00 0.00 C ATOM 369 C THR A 30 -14.286 5.555 -4.188 1.00 0.00 C ATOM 370 O THR A 30 -14.446 4.337 -4.165 1.00 0.00 O ATOM 371 CB THR A 30 -14.503 7.377 -2.407 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.159 7.114 -1.169 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.765 8.864 -2.657 1.00 0.00 C ATOM 0 H THR A 30 -15.927 5.414 -1.746 1.00 0.00 H new ATOM 0 HA THR A 30 -15.700 7.114 -4.157 1.00 0.00 H new ATOM 0 HB THR A 30 -13.431 7.184 -2.455 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.751 7.656 -0.461 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.228 9.458 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.421 9.131 -3.656 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.833 9.064 -2.576 1.00 0.00 H new ATOM 381 N ALA A 31 -13.325 6.175 -4.860 1.00 0.00 N ATOM 382 CA ALA A 31 -12.358 5.426 -5.643 1.00 0.00 C ATOM 383 C ALA A 31 -10.972 6.045 -5.462 1.00 0.00 C ATOM 384 O ALA A 31 -10.730 7.174 -5.890 1.00 0.00 O ATOM 385 CB ALA A 31 -12.798 5.401 -7.110 1.00 0.00 C ATOM 0 H ALA A 31 -13.197 7.187 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.305 4.393 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.072 4.839 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.775 4.925 -7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.860 6.421 -7.489 1.00 0.00 H new ATOM 391 N TYR A 32 -10.095 5.280 -4.829 1.00 0.00 N ATOM 392 CA TYR A 32 -8.737 5.739 -4.586 1.00 0.00 C ATOM 393 C TYR A 32 -7.722 4.872 -5.334 1.00 0.00 C ATOM 394 O TYR A 32 -8.099 4.033 -6.150 1.00 0.00 O ATOM 395 CB TYR A 32 -8.506 5.593 -3.080 1.00 0.00 C ATOM 396 CG TYR A 32 -8.899 6.828 -2.266 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.763 7.761 -2.802 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.388 7.007 -0.996 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.132 8.922 -2.037 1.00 0.00 C ATOM 400 CE2 TYR A 32 -8.759 8.170 -0.231 1.00 0.00 C ATOM 401 CZ TYR A 32 -9.613 9.070 -0.788 1.00 0.00 C ATOM 402 OH TYR A 32 -9.962 10.168 -0.065 1.00 0.00 O ATOM 0 H TYR A 32 -10.298 4.345 -4.477 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.611 6.766 -4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.074 4.736 -2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.453 5.375 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.162 7.620 -3.796 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.712 6.277 -0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.806 9.660 -2.445 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.367 8.324 0.764 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.517 10.140 0.807 1.00 0.00 H new ATOM 412 N ASP A 33 -6.455 5.105 -5.027 1.00 0.00 N ATOM 413 CA ASP A 33 -5.382 4.356 -5.659 1.00 0.00 C ATOM 414 C ASP A 33 -4.760 3.403 -4.636 1.00 0.00 C ATOM 415 O ASP A 33 -4.077 3.839 -3.712 1.00 0.00 O ATOM 416 CB ASP A 33 -4.282 5.290 -6.166 1.00 0.00 C ATOM 417 CG ASP A 33 -4.768 6.652 -6.664 1.00 0.00 C ATOM 418 OD1 ASP A 33 -4.994 7.525 -5.799 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.905 6.789 -7.899 1.00 0.00 O ATOM 0 H ASP A 33 -6.147 5.802 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.804 3.807 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.563 5.449 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.749 4.793 -6.977 1.00 0.00 H new ATOM 425 N VAL A 34 -5.018 2.119 -4.838 1.00 0.00 N ATOM 426 CA VAL A 34 -4.491 1.101 -3.944 1.00 0.00 C ATOM 427 C VAL A 34 -2.993 0.927 -4.204 1.00 0.00 C ATOM 428 O VAL A 34 -2.556 0.898 -5.352 1.00 0.00 O ATOM 429 CB VAL A 34 -5.279 -0.199 -4.112 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.338 -1.399 -4.240 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.263 -0.397 -2.955 1.00 0.00 C ATOM 0 H VAL A 34 -5.584 1.760 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.609 1.407 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.855 -0.124 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.924 -2.310 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.695 -1.266 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.724 -1.477 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.811 -1.328 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.714 -0.440 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.965 0.436 -2.928 1.00 0.00 H new ATOM 441 N GLY A 35 -2.246 0.819 -3.113 1.00 0.00 N ATOM 442 CA GLY A 35 -0.805 0.651 -3.208 1.00 0.00 C ATOM 443 C GLY A 35 -0.161 0.670 -1.821 1.00 0.00 C ATOM 444 O GLY A 35 -0.746 1.178 -0.868 1.00 0.00 O ATOM 0 H GLY A 35 -2.611 0.845 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.577 -0.291 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.382 1.447 -3.821 1.00 0.00 H new ATOM 448 N GLN A 36 1.041 0.113 -1.754 1.00 0.00 N ATOM 449 CA GLN A 36 1.772 0.060 -0.500 1.00 0.00 C ATOM 450 C GLN A 36 2.753 1.230 -0.408 1.00 0.00 C ATOM 451 O GLN A 36 3.881 1.137 -0.888 1.00 0.00 O ATOM 452 CB GLN A 36 2.498 -1.277 -0.344 1.00 0.00 C ATOM 453 CG GLN A 36 1.810 -2.374 -1.161 1.00 0.00 C ATOM 454 CD GLN A 36 2.797 -3.044 -2.119 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.370 -2.206 -2.980 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 3.023 -4.241 -2.082 1.00 0.00 N flip ATOM 0 H GLN A 36 1.526 -0.305 -2.548 1.00 0.00 H new ATOM 0 HA GLN A 36 1.057 0.145 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.533 -1.173 -0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.521 -1.562 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.386 -3.120 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.982 -1.946 -1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.549 -4.829 -1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.686 -4.655 -2.737 1.00 0.00 H new ATOM 465 N CYS A 37 2.287 2.305 0.212 1.00 0.00 N ATOM 466 CA CYS A 37 3.109 3.491 0.372 1.00 0.00 C ATOM 467 C CYS A 37 3.540 3.582 1.837 1.00 0.00 C ATOM 468 O CYS A 37 2.970 2.916 2.699 1.00 0.00 O ATOM 469 CB CYS A 37 2.375 4.754 -0.086 1.00 0.00 C ATOM 470 SG CYS A 37 3.465 6.148 -0.550 1.00 0.00 S ATOM 0 H CYS A 37 1.350 2.378 0.609 1.00 0.00 H new ATOM 0 HA CYS A 37 3.992 3.413 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.746 4.503 -0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.710 5.081 0.713 1.00 0.00 H new ATOM 475 N ALA A 38 4.545 4.414 2.074 1.00 0.00 N ATOM 476 CA ALA A 38 5.060 4.601 3.421 1.00 0.00 C ATOM 477 C ALA A 38 6.455 5.224 3.346 1.00 0.00 C ATOM 478 O ALA A 38 7.019 5.365 2.263 1.00 0.00 O ATOM 479 CB ALA A 38 5.058 3.261 4.159 1.00 0.00 C ATOM 0 H ALA A 38 5.016 4.966 1.357 1.00 0.00 H new ATOM 0 HA ALA A 38 4.424 5.284 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.444 3.401 5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.040 2.875 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.689 2.550 3.625 1.00 0.00 H new ATOM 485 N TRP A 39 6.969 5.583 4.513 1.00 0.00 N ATOM 486 CA TRP A 39 8.287 6.188 4.595 1.00 0.00 C ATOM 487 C TRP A 39 9.319 5.134 4.184 1.00 0.00 C ATOM 488 O TRP A 39 9.646 4.244 4.967 1.00 0.00 O ATOM 489 CB TRP A 39 8.544 6.762 5.990 1.00 0.00 C ATOM 490 CG TRP A 39 8.270 5.776 7.128 1.00 0.00 C ATOM 491 CD1 TRP A 39 9.046 4.770 7.551 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.102 5.745 7.976 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.465 4.093 8.605 1.00 0.00 N ATOM 494 CE2 TRP A 39 7.246 4.706 8.872 1.00 0.00 C ATOM 495 CE3 TRP A 39 5.963 6.566 7.983 1.00 0.00 C ATOM 496 CZ2 TRP A 39 6.288 4.393 9.843 1.00 0.00 C ATOM 497 CZ3 TRP A 39 5.014 6.240 8.960 1.00 0.00 C ATOM 498 CH2 TRP A 39 5.144 5.199 9.870 1.00 0.00 C ATOM 0 H TRP A 39 6.496 5.466 5.409 1.00 0.00 H new ATOM 0 HA TRP A 39 8.363 7.035 3.914 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.581 7.092 6.051 1.00 0.00 H new ATOM 0 HB3 TRP A 39 7.920 7.645 6.129 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.005 4.520 7.122 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.858 3.291 9.097 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.829 7.384 7.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.424 3.574 10.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 4.118 6.841 9.009 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.366 5.012 10.595 1.00 0.00 H new ATOM 509 N VAL A 40 9.800 5.270 2.958 1.00 0.00 N ATOM 510 CA VAL A 40 10.788 4.340 2.433 1.00 0.00 C ATOM 511 C VAL A 40 12.186 4.798 2.854 1.00 0.00 C ATOM 512 O VAL A 40 12.950 4.025 3.429 1.00 0.00 O ATOM 513 CB VAL A 40 10.630 4.210 0.918 1.00 0.00 C ATOM 514 CG1 VAL A 40 9.155 4.100 0.527 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.302 5.379 0.193 1.00 0.00 C ATOM 0 H VAL A 40 9.525 6.010 2.312 1.00 0.00 H new ATOM 0 HA VAL A 40 10.635 3.344 2.847 1.00 0.00 H new ATOM 0 HB VAL A 40 11.129 3.292 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.071 4.009 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.718 3.221 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.623 4.992 0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.174 5.261 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.846 6.316 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.365 5.393 0.433 1.00 0.00 H new ATOM 525 N ASP A 41 12.480 6.054 2.546 1.00 0.00 N ATOM 526 CA ASP A 41 13.772 6.623 2.883 1.00 0.00 C ATOM 527 C ASP A 41 13.697 7.262 4.271 1.00 0.00 C ATOM 528 O ASP A 41 12.758 7.011 5.023 1.00 0.00 O ATOM 529 CB ASP A 41 14.173 7.711 1.884 1.00 0.00 C ATOM 530 CG ASP A 41 15.582 7.569 1.305 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.906 8.367 0.398 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.304 6.666 1.781 1.00 0.00 O ATOM 0 H ASP A 41 11.845 6.692 2.067 1.00 0.00 H new ATOM 0 HA ASP A 41 14.510 5.821 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.457 7.710 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.094 8.681 2.375 1.00 0.00 H new ATOM 538 N THR A 42 14.700 8.075 4.567 1.00 0.00 N ATOM 539 CA THR A 42 14.759 8.753 5.853 1.00 0.00 C ATOM 540 C THR A 42 13.777 9.928 5.882 1.00 0.00 C ATOM 541 O THR A 42 14.108 11.028 5.443 1.00 0.00 O ATOM 542 CB THR A 42 16.210 9.166 6.102 1.00 0.00 C ATOM 543 OG1 THR A 42 16.924 7.935 6.128 1.00 0.00 O ATOM 544 CG2 THR A 42 16.420 9.750 7.501 1.00 0.00 C ATOM 0 H THR A 42 15.478 8.280 3.940 1.00 0.00 H new ATOM 0 HA THR A 42 14.450 8.093 6.664 1.00 0.00 H new ATOM 0 HB THR A 42 16.512 9.899 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.875 8.112 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.467 10.027 7.626 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.794 10.633 7.624 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.149 9.006 8.250 1.00 0.00 H new ATOM 552 N GLY A 43 12.592 9.652 6.405 1.00 0.00 N ATOM 553 CA GLY A 43 11.560 10.672 6.496 1.00 0.00 C ATOM 554 C GLY A 43 11.008 11.020 5.114 1.00 0.00 C ATOM 555 O GLY A 43 10.327 12.032 4.950 1.00 0.00 O ATOM 0 H GLY A 43 12.323 8.738 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.751 10.319 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.969 11.567 6.964 1.00 0.00 H new ATOM 559 N VAL A 44 11.322 10.163 4.153 1.00 0.00 N ATOM 560 CA VAL A 44 10.866 10.369 2.788 1.00 0.00 C ATOM 561 C VAL A 44 9.722 9.397 2.487 1.00 0.00 C ATOM 562 O VAL A 44 9.945 8.197 2.341 1.00 0.00 O ATOM 563 CB VAL A 44 12.041 10.228 1.817 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.666 10.748 0.427 1.00 0.00 C ATOM 565 CG2 VAL A 44 13.283 10.941 2.353 1.00 0.00 C ATOM 0 H VAL A 44 11.886 9.325 4.292 1.00 0.00 H new ATOM 0 HA VAL A 44 10.477 11.380 2.662 1.00 0.00 H new ATOM 0 HB VAL A 44 12.277 9.168 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.517 10.637 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.822 10.177 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.392 11.801 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.103 10.825 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 44 13.065 12.001 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.567 10.506 3.311 1.00 0.00 H new ATOM 575 N LEU A 45 8.522 9.956 2.403 1.00 0.00 N ATOM 576 CA LEU A 45 7.344 9.154 2.122 1.00 0.00 C ATOM 577 C LEU A 45 7.284 8.848 0.624 1.00 0.00 C ATOM 578 O LEU A 45 7.039 9.742 -0.185 1.00 0.00 O ATOM 579 CB LEU A 45 6.086 9.842 2.660 1.00 0.00 C ATOM 580 CG LEU A 45 5.294 9.065 3.711 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.511 10.013 4.621 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.386 8.023 3.054 1.00 0.00 C ATOM 0 H LEU A 45 8.342 10.953 2.524 1.00 0.00 H new ATOM 0 HA LEU A 45 7.403 8.197 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.376 10.801 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.425 10.055 1.820 1.00 0.00 H new ATOM 0 HG LEU A 45 6.002 8.526 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.957 9.434 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.204 10.683 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.814 10.599 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.834 7.484 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.684 8.522 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.993 7.320 2.483 1.00 0.00 H new ATOM 594 N ALA A 46 7.514 7.585 0.300 1.00 0.00 N ATOM 595 CA ALA A 46 7.492 7.152 -1.087 1.00 0.00 C ATOM 596 C ALA A 46 6.536 5.966 -1.228 1.00 0.00 C ATOM 597 O ALA A 46 6.126 5.371 -0.235 1.00 0.00 O ATOM 598 CB ALA A 46 8.912 6.813 -1.540 1.00 0.00 C ATOM 0 H ALA A 46 7.717 6.847 0.974 1.00 0.00 H new ATOM 0 HA ALA A 46 7.127 7.950 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.894 6.488 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.544 7.696 -1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.311 6.013 -0.917 1.00 0.00 H new ATOM 604 N CYS A 47 6.210 5.657 -2.476 1.00 0.00 N ATOM 605 CA CYS A 47 5.308 4.553 -2.761 1.00 0.00 C ATOM 606 C CYS A 47 5.990 3.629 -3.774 1.00 0.00 C ATOM 607 O CYS A 47 6.714 4.091 -4.654 1.00 0.00 O ATOM 608 CB CYS A 47 3.950 5.045 -3.263 1.00 0.00 C ATOM 609 SG CYS A 47 3.392 6.629 -2.538 1.00 0.00 S ATOM 0 H CYS A 47 6.554 6.151 -3.299 1.00 0.00 H new ATOM 0 HA CYS A 47 5.103 4.001 -1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.997 5.154 -4.347 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.202 4.281 -3.051 1.00 0.00 H new ATOM 614 N ASN A 48 5.734 2.338 -3.616 1.00 0.00 N ATOM 615 CA ASN A 48 6.311 1.345 -4.502 1.00 0.00 C ATOM 616 C ASN A 48 5.736 1.528 -5.910 1.00 0.00 C ATOM 617 O ASN A 48 4.785 2.282 -6.102 1.00 0.00 O ATOM 618 CB ASN A 48 5.978 -0.074 -4.036 1.00 0.00 C ATOM 619 CG ASN A 48 5.997 -0.165 -2.508 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.860 0.662 -1.927 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 5.273 -0.937 -1.900 1.00 0.00 N flip ATOM 0 H ASN A 48 5.133 1.958 -2.885 1.00 0.00 H new ATOM 0 HA ASN A 48 7.393 1.480 -4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.995 -0.363 -4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.698 -0.777 -4.455 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.633 -1.545 -2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.308 -0.974 -0.881 1.00 0.00 H new ATOM 628 N PRO A 49 6.353 0.805 -6.881 1.00 0.00 N ATOM 629 CA PRO A 49 5.910 0.878 -8.263 1.00 0.00 C ATOM 630 C PRO A 49 4.608 0.104 -8.465 1.00 0.00 C ATOM 631 O PRO A 49 3.951 0.245 -9.497 1.00 0.00 O ATOM 632 CB PRO A 49 7.067 0.317 -9.076 1.00 0.00 C ATOM 633 CG PRO A 49 7.919 -0.476 -8.098 1.00 0.00 C ATOM 634 CD PRO A 49 7.481 -0.102 -6.691 1.00 0.00 C ATOM 0 HA PRO A 49 5.675 1.895 -8.576 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.704 -0.320 -9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.645 1.118 -9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.796 -1.546 -8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.976 -0.250 -8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.188 -0.983 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.288 0.381 -6.140 1.00 0.00 H new ATOM 642 N ALA A 50 4.271 -0.697 -7.466 1.00 0.00 N ATOM 643 CA ALA A 50 3.058 -1.494 -7.519 1.00 0.00 C ATOM 644 C ALA A 50 2.013 -0.891 -6.579 1.00 0.00 C ATOM 645 O ALA A 50 1.027 -1.543 -6.240 1.00 0.00 O ATOM 646 CB ALA A 50 3.385 -2.948 -7.171 1.00 0.00 C ATOM 0 H ALA A 50 4.818 -0.811 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 50 2.639 -1.486 -8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.474 -3.545 -7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.108 -3.340 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.806 -2.996 -6.167 1.00 0.00 H new ATOM 652 N ASP A 51 2.264 0.350 -6.186 1.00 0.00 N ATOM 653 CA ASP A 51 1.357 1.051 -5.292 1.00 0.00 C ATOM 654 C ASP A 51 0.284 1.763 -6.116 1.00 0.00 C ATOM 655 O ASP A 51 -0.530 2.509 -5.571 1.00 0.00 O ATOM 656 CB ASP A 51 2.101 2.105 -4.470 1.00 0.00 C ATOM 657 CG ASP A 51 1.236 3.264 -3.975 1.00 0.00 C ATOM 658 OD1 ASP A 51 1.136 4.259 -4.726 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.693 3.133 -2.857 1.00 0.00 O ATOM 0 H ASP A 51 3.083 0.888 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 51 0.912 0.318 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.557 1.617 -3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.913 2.509 -5.074 1.00 0.00 H new ATOM 665 N PHE A 52 0.316 1.512 -7.416 1.00 0.00 N ATOM 666 CA PHE A 52 -0.644 2.119 -8.321 1.00 0.00 C ATOM 667 C PHE A 52 -1.653 1.087 -8.824 1.00 0.00 C ATOM 668 O PHE A 52 -1.397 0.387 -9.803 1.00 0.00 O ATOM 669 CB PHE A 52 0.147 2.664 -9.513 1.00 0.00 C ATOM 670 CG PHE A 52 1.586 3.063 -9.176 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.836 3.860 -8.103 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.613 2.620 -9.949 1.00 0.00 C ATOM 673 CE1 PHE A 52 3.170 4.231 -7.789 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.947 2.992 -9.634 1.00 0.00 C ATOM 675 CZ PHE A 52 4.199 3.789 -8.562 1.00 0.00 C ATOM 0 H PHE A 52 0.993 0.895 -7.865 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.196 2.905 -7.805 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.165 1.909 -10.299 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.375 3.532 -9.916 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.019 4.211 -7.489 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.415 1.986 -10.801 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.368 4.864 -6.937 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.763 2.641 -10.248 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.214 4.071 -8.324 1.00 0.00 H new ATOM 685 N SER A 53 -2.783 1.025 -8.133 1.00 0.00 N ATOM 686 CA SER A 53 -3.834 0.088 -8.497 1.00 0.00 C ATOM 687 C SER A 53 -5.201 0.678 -8.147 1.00 0.00 C ATOM 688 O SER A 53 -5.750 0.393 -7.084 1.00 0.00 O ATOM 689 CB SER A 53 -3.640 -1.256 -7.795 1.00 0.00 C ATOM 690 OG SER A 53 -3.929 -2.354 -8.658 1.00 0.00 O ATOM 0 H SER A 53 -2.994 1.608 -7.323 1.00 0.00 H new ATOM 0 HA SER A 53 -3.783 -0.085 -9.572 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.613 -1.335 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.286 -1.304 -6.918 1.00 0.00 H new ATOM 0 HG SER A 53 -4.540 -2.973 -8.206 1.00 0.00 H new ATOM 696 N SER A 54 -5.713 1.488 -9.063 1.00 0.00 N ATOM 697 CA SER A 54 -7.006 2.120 -8.863 1.00 0.00 C ATOM 698 C SER A 54 -7.977 1.129 -8.219 1.00 0.00 C ATOM 699 O SER A 54 -8.192 0.036 -8.741 1.00 0.00 O ATOM 700 CB SER A 54 -7.576 2.637 -10.187 1.00 0.00 C ATOM 701 OG SER A 54 -7.762 1.588 -11.133 1.00 0.00 O ATOM 0 H SER A 54 -5.256 1.721 -9.945 1.00 0.00 H new ATOM 0 HA SER A 54 -6.872 2.973 -8.198 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.529 3.132 -10.003 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.903 3.386 -10.604 1.00 0.00 H new ATOM 0 HG SER A 54 -7.974 0.756 -10.661 1.00 0.00 H new ATOM 707 N VAL A 55 -8.539 1.548 -7.094 1.00 0.00 N ATOM 708 CA VAL A 55 -9.484 0.711 -6.374 1.00 0.00 C ATOM 709 C VAL A 55 -10.647 1.574 -5.877 1.00 0.00 C ATOM 710 O VAL A 55 -10.499 2.782 -5.706 1.00 0.00 O ATOM 711 CB VAL A 55 -8.767 -0.032 -5.244 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.717 -0.298 -4.073 1.00 0.00 C ATOM 713 CG2 VAL A 55 -8.149 -1.337 -5.753 1.00 0.00 C ATOM 0 H VAL A 55 -8.358 2.455 -6.664 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.902 -0.050 -7.034 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.959 0.605 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.183 -0.827 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.091 0.650 -3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.554 -0.906 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.645 -1.846 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.934 -1.980 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.427 -1.115 -6.539 1.00 0.00 H new ATOM 723 N THR A 56 -11.778 0.917 -5.659 1.00 0.00 N ATOM 724 CA THR A 56 -12.964 1.608 -5.185 1.00 0.00 C ATOM 725 C THR A 56 -13.689 0.765 -4.134 1.00 0.00 C ATOM 726 O THR A 56 -13.730 -0.459 -4.236 1.00 0.00 O ATOM 727 CB THR A 56 -13.833 1.941 -6.401 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.070 3.342 -6.285 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.229 1.321 -6.311 1.00 0.00 C ATOM 0 H THR A 56 -11.897 -0.086 -5.802 1.00 0.00 H new ATOM 0 HA THR A 56 -12.705 2.541 -4.685 1.00 0.00 H new ATOM 0 HB THR A 56 -13.337 1.592 -7.307 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.422 3.541 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.804 1.588 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.142 0.236 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.737 1.696 -5.423 1.00 0.00 H new ATOM 737 N ALA A 57 -14.239 1.457 -3.147 1.00 0.00 N ATOM 738 CA ALA A 57 -14.960 0.787 -2.076 1.00 0.00 C ATOM 739 C ALA A 57 -16.460 1.026 -2.249 1.00 0.00 C ATOM 740 O ALA A 57 -16.878 2.113 -2.650 1.00 0.00 O ATOM 741 CB ALA A 57 -14.443 1.282 -0.725 1.00 0.00 C ATOM 0 H ALA A 57 -14.200 2.473 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.791 -0.289 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.983 0.780 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.379 1.061 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.598 2.358 -0.648 1.00 0.00 H new ATOM 747 N ASP A 58 -17.233 -0.006 -1.941 1.00 0.00 N ATOM 748 CA ASP A 58 -18.678 0.079 -2.057 1.00 0.00 C ATOM 749 C ASP A 58 -19.188 1.227 -1.186 1.00 0.00 C ATOM 750 O ASP A 58 -18.510 1.651 -0.252 1.00 0.00 O ATOM 751 CB ASP A 58 -19.346 -1.212 -1.580 1.00 0.00 C ATOM 752 CG ASP A 58 -18.542 -2.489 -1.834 1.00 0.00 C ATOM 753 OD1 ASP A 58 -18.941 -3.533 -1.274 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.547 -2.393 -2.585 1.00 0.00 O ATOM 0 H ASP A 58 -16.884 -0.906 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.923 0.244 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.540 -1.129 -0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.314 -1.306 -2.073 1.00 0.00 H new ATOM 760 N ALA A 59 -20.382 1.696 -1.520 1.00 0.00 N ATOM 761 CA ALA A 59 -20.993 2.787 -0.780 1.00 0.00 C ATOM 762 C ALA A 59 -20.730 2.592 0.715 1.00 0.00 C ATOM 763 O ALA A 59 -20.634 3.563 1.464 1.00 0.00 O ATOM 764 CB ALA A 59 -22.486 2.855 -1.105 1.00 0.00 C ATOM 0 H ALA A 59 -20.943 1.340 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.554 3.741 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -22.942 3.674 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.618 3.024 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.963 1.916 -0.824 1.00 0.00 H new ATOM 770 N ASN A 60 -20.621 1.330 1.103 1.00 0.00 N ATOM 771 CA ASN A 60 -20.372 0.995 2.497 1.00 0.00 C ATOM 772 C ASN A 60 -18.862 0.961 2.744 1.00 0.00 C ATOM 773 O ASN A 60 -18.378 0.153 3.535 1.00 0.00 O ATOM 774 CB ASN A 60 -20.938 -0.383 2.841 1.00 0.00 C ATOM 775 CG ASN A 60 -21.558 -0.387 4.241 1.00 0.00 C ATOM 776 OD1 ASN A 60 -20.954 0.027 5.216 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.793 -0.875 4.283 1.00 0.00 N ATOM 0 H ASN A 60 -20.700 0.527 0.478 1.00 0.00 H new ATOM 0 HA ASN A 60 -20.856 1.749 3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.691 -0.665 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.145 -1.129 2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.294 -0.920 5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.240 -1.205 3.428 1.00 0.00 H new ATOM 784 N GLY A 61 -18.160 1.849 2.056 1.00 0.00 N ATOM 785 CA GLY A 61 -16.716 1.931 2.193 1.00 0.00 C ATOM 786 C GLY A 61 -16.090 0.536 2.248 1.00 0.00 C ATOM 787 O GLY A 61 -15.191 0.286 3.049 1.00 0.00 O ATOM 0 H GLY A 61 -18.565 2.518 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.299 2.488 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.464 2.483 3.099 1.00 0.00 H new ATOM 791 N SER A 62 -16.591 -0.336 1.385 1.00 0.00 N ATOM 792 CA SER A 62 -16.092 -1.700 1.326 1.00 0.00 C ATOM 793 C SER A 62 -15.242 -1.891 0.069 1.00 0.00 C ATOM 794 O SER A 62 -15.773 -2.122 -1.016 1.00 0.00 O ATOM 795 CB SER A 62 -17.243 -2.709 1.346 1.00 0.00 C ATOM 796 OG SER A 62 -18.245 -2.357 2.296 1.00 0.00 O ATOM 0 H SER A 62 -17.336 -0.125 0.722 1.00 0.00 H new ATOM 0 HA SER A 62 -15.474 -1.877 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.690 -2.769 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.853 -3.699 1.581 1.00 0.00 H new ATOM 0 HG SER A 62 -18.028 -1.488 2.693 1.00 0.00 H new ATOM 802 N ALA A 63 -13.934 -1.789 0.257 1.00 0.00 N ATOM 803 CA ALA A 63 -13.005 -1.948 -0.848 1.00 0.00 C ATOM 804 C ALA A 63 -12.298 -3.299 -0.726 1.00 0.00 C ATOM 805 O ALA A 63 -11.230 -3.393 -0.125 1.00 0.00 O ATOM 806 CB ALA A 63 -12.021 -0.775 -0.861 1.00 0.00 C ATOM 0 H ALA A 63 -13.496 -1.598 1.158 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.537 -1.939 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.324 -0.894 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.570 0.159 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.468 -0.754 0.078 1.00 0.00 H new ATOM 812 N SER A 64 -12.926 -4.313 -1.304 1.00 0.00 N ATOM 813 CA SER A 64 -12.370 -5.655 -1.268 1.00 0.00 C ATOM 814 C SER A 64 -11.616 -5.945 -2.564 1.00 0.00 C ATOM 815 O SER A 64 -12.107 -6.679 -3.423 1.00 0.00 O ATOM 816 CB SER A 64 -13.467 -6.699 -1.047 1.00 0.00 C ATOM 817 OG SER A 64 -14.634 -6.417 -1.817 1.00 0.00 O ATOM 0 H SER A 64 -13.814 -4.232 -1.799 1.00 0.00 H new ATOM 0 HA SER A 64 -11.674 -5.714 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.087 -7.686 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.729 -6.732 0.011 1.00 0.00 H new ATOM 0 HG SER A 64 -15.310 -7.106 -1.650 1.00 0.00 H new ATOM 823 N THR A 65 -10.434 -5.355 -2.670 1.00 0.00 N ATOM 824 CA THR A 65 -9.605 -5.543 -3.849 1.00 0.00 C ATOM 825 C THR A 65 -8.393 -6.414 -3.518 1.00 0.00 C ATOM 826 O THR A 65 -7.796 -6.275 -2.450 1.00 0.00 O ATOM 827 CB THR A 65 -9.230 -4.160 -4.387 1.00 0.00 C ATOM 828 OG1 THR A 65 -10.480 -3.485 -4.513 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.690 -4.215 -5.817 1.00 0.00 C ATOM 0 H THR A 65 -10.030 -4.746 -1.958 1.00 0.00 H new ATOM 0 HA THR A 65 -10.145 -6.078 -4.630 1.00 0.00 H new ATOM 0 HB THR A 65 -8.484 -3.707 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.619 -3.225 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.439 -3.208 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.797 -4.839 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.448 -4.637 -6.476 1.00 0.00 H new ATOM 837 N SER A 66 -8.066 -7.295 -4.451 1.00 0.00 N ATOM 838 CA SER A 66 -6.934 -8.190 -4.272 1.00 0.00 C ATOM 839 C SER A 66 -5.725 -7.669 -5.050 1.00 0.00 C ATOM 840 O SER A 66 -5.860 -7.221 -6.188 1.00 0.00 O ATOM 841 CB SER A 66 -7.281 -9.612 -4.719 1.00 0.00 C ATOM 842 OG SER A 66 -7.353 -9.722 -6.137 1.00 0.00 O ATOM 0 H SER A 66 -8.564 -7.409 -5.334 1.00 0.00 H new ATOM 0 HA SER A 66 -6.688 -8.221 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.530 -10.305 -4.339 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.236 -9.906 -4.283 1.00 0.00 H new ATOM 0 HG SER A 66 -7.575 -10.644 -6.383 1.00 0.00 H new ATOM 848 N LEU A 67 -4.569 -7.744 -4.406 1.00 0.00 N ATOM 849 CA LEU A 67 -3.338 -7.287 -5.023 1.00 0.00 C ATOM 850 C LEU A 67 -2.164 -8.104 -4.481 1.00 0.00 C ATOM 851 O LEU A 67 -2.337 -8.919 -3.575 1.00 0.00 O ATOM 852 CB LEU A 67 -3.173 -5.775 -4.835 1.00 0.00 C ATOM 853 CG LEU A 67 -3.030 -4.953 -6.118 1.00 0.00 C ATOM 854 CD1 LEU A 67 -2.917 -3.460 -5.798 1.00 0.00 C ATOM 855 CD2 LEU A 67 -1.854 -5.449 -6.959 1.00 0.00 C ATOM 0 H LEU A 67 -4.460 -8.115 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.370 -7.451 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.034 -5.401 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.294 -5.599 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.931 -5.089 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.816 -2.896 -6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.812 -3.132 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.042 -3.287 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.775 -4.848 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.932 -5.361 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.015 -6.493 -7.229 1.00 0.00 H new ATOM 867 N THR A 68 -0.997 -7.861 -5.059 1.00 0.00 N ATOM 868 CA THR A 68 0.204 -8.566 -4.645 1.00 0.00 C ATOM 869 C THR A 68 1.111 -7.641 -3.829 1.00 0.00 C ATOM 870 O THR A 68 1.342 -6.495 -4.213 1.00 0.00 O ATOM 871 CB THR A 68 0.879 -9.127 -5.897 1.00 0.00 C ATOM 872 OG1 THR A 68 1.938 -9.935 -5.391 1.00 0.00 O ATOM 873 CG2 THR A 68 1.593 -8.047 -6.712 1.00 0.00 C ATOM 0 H THR A 68 -0.858 -7.186 -5.811 1.00 0.00 H new ATOM 0 HA THR A 68 -0.035 -9.400 -3.986 1.00 0.00 H new ATOM 0 HB THR A 68 0.132 -9.619 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.427 -10.339 -6.138 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.055 -8.499 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.872 -7.294 -7.029 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.362 -7.577 -6.099 1.00 0.00 H new ATOM 881 N VAL A 69 1.601 -8.173 -2.720 1.00 0.00 N ATOM 882 CA VAL A 69 2.478 -7.411 -1.847 1.00 0.00 C ATOM 883 C VAL A 69 3.926 -7.586 -2.307 1.00 0.00 C ATOM 884 O VAL A 69 4.602 -8.527 -1.895 1.00 0.00 O ATOM 885 CB VAL A 69 2.258 -7.826 -0.391 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.393 -7.322 0.501 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.900 -7.338 0.119 1.00 0.00 C ATOM 0 H VAL A 69 1.407 -9.124 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 69 2.245 -6.348 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 69 2.259 -8.915 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.211 -7.631 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.339 -7.741 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.439 -6.234 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.769 -7.646 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.857 -6.251 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.106 -7.769 -0.491 1.00 0.00 H new ATOM 897 N ARG A 70 4.359 -6.664 -3.155 1.00 0.00 N ATOM 898 CA ARG A 70 5.717 -6.705 -3.674 1.00 0.00 C ATOM 899 C ARG A 70 6.668 -5.962 -2.734 1.00 0.00 C ATOM 900 O ARG A 70 6.803 -4.742 -2.820 1.00 0.00 O ATOM 901 CB ARG A 70 5.790 -6.076 -5.067 1.00 0.00 C ATOM 902 CG ARG A 70 4.774 -6.717 -6.013 1.00 0.00 C ATOM 903 CD ARG A 70 5.459 -7.685 -6.979 1.00 0.00 C ATOM 904 NE ARG A 70 4.788 -7.644 -8.297 1.00 0.00 N ATOM 905 CZ ARG A 70 4.919 -8.590 -9.237 1.00 0.00 C ATOM 906 NH1 ARG A 70 5.697 -9.656 -9.010 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.271 -8.469 -10.406 1.00 0.00 N ATOM 0 H ARG A 70 3.795 -5.885 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 70 6.016 -7.751 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.601 -5.005 -4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.795 -6.196 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.018 -7.249 -5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.256 -5.941 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.510 -7.419 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.426 -8.697 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 70 4.188 -6.845 -8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.190 -9.748 -8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.797 -10.376 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.679 -7.657 -10.579 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.371 -9.189 -11.121 1.00 0.00 H new ATOM 921 N ARG A 71 7.301 -6.727 -1.859 1.00 0.00 N ATOM 922 CA ARG A 71 8.236 -6.156 -0.903 1.00 0.00 C ATOM 923 C ARG A 71 9.441 -5.557 -1.633 1.00 0.00 C ATOM 924 O ARG A 71 9.966 -4.522 -1.224 1.00 0.00 O ATOM 925 CB ARG A 71 8.724 -7.213 0.088 1.00 0.00 C ATOM 926 CG ARG A 71 9.800 -6.642 1.014 1.00 0.00 C ATOM 927 CD ARG A 71 11.034 -7.545 1.048 1.00 0.00 C ATOM 928 NE ARG A 71 10.629 -8.945 1.303 1.00 0.00 N ATOM 929 CZ ARG A 71 11.479 -9.922 1.653 1.00 0.00 C ATOM 930 NH1 ARG A 71 12.785 -9.654 1.792 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.021 -11.163 1.865 1.00 0.00 N ATOM 0 H ARG A 71 7.186 -7.738 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 71 7.713 -5.373 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.884 -7.576 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.124 -8.069 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.084 -5.646 0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.397 -6.534 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.569 -7.479 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.720 -7.209 1.826 1.00 0.00 H new ATOM 0 HE ARG A 71 9.642 -9.182 1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.131 -8.708 1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.432 -10.396 2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.027 -11.364 1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.667 -11.906 2.131 1.00 0.00 H new ATOM 945 N SER A 72 9.842 -6.231 -2.700 1.00 0.00 N ATOM 946 CA SER A 72 10.973 -5.777 -3.490 1.00 0.00 C ATOM 947 C SER A 72 10.480 -5.072 -4.754 1.00 0.00 C ATOM 948 O SER A 72 9.748 -5.658 -5.550 1.00 0.00 O ATOM 949 CB SER A 72 11.891 -6.944 -3.855 1.00 0.00 C ATOM 950 OG SER A 72 13.226 -6.737 -3.401 1.00 0.00 O ATOM 0 H SER A 72 9.404 -7.088 -3.036 1.00 0.00 H new ATOM 0 HA SER A 72 11.548 -5.071 -2.891 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.499 -7.863 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.893 -7.079 -4.937 1.00 0.00 H new ATOM 0 HG SER A 72 13.780 -7.505 -3.652 1.00 0.00 H new ATOM 956 N PHE A 73 10.900 -3.825 -4.900 1.00 0.00 N ATOM 957 CA PHE A 73 10.510 -3.033 -6.056 1.00 0.00 C ATOM 958 C PHE A 73 10.883 -1.562 -5.864 1.00 0.00 C ATOM 959 O PHE A 73 10.667 -0.999 -4.793 1.00 0.00 O ATOM 960 CB PHE A 73 8.990 -3.149 -6.182 1.00 0.00 C ATOM 961 CG PHE A 73 8.518 -3.702 -7.530 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.243 -3.461 -8.655 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.374 -4.435 -7.600 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.806 -3.973 -9.904 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.938 -4.948 -8.851 1.00 0.00 C ATOM 966 CZ PHE A 73 7.664 -4.707 -9.975 1.00 0.00 C ATOM 0 H PHE A 73 11.507 -3.342 -4.237 1.00 0.00 H new ATOM 0 HA PHE A 73 11.022 -3.396 -6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.618 -3.794 -5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.547 -2.165 -6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.151 -2.880 -8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.798 -4.626 -6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.380 -3.780 -10.798 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.030 -5.529 -8.909 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.333 -5.099 -10.925 1.00 0.00 H new ATOM 976 N GLU A 74 11.437 -0.983 -6.919 1.00 0.00 N ATOM 977 CA GLU A 74 11.843 0.413 -6.880 1.00 0.00 C ATOM 978 C GLU A 74 10.702 1.310 -7.358 1.00 0.00 C ATOM 979 O GLU A 74 10.383 1.336 -8.546 1.00 0.00 O ATOM 980 CB GLU A 74 13.106 0.639 -7.714 1.00 0.00 C ATOM 981 CG GLU A 74 13.712 2.013 -7.427 1.00 0.00 C ATOM 982 CD GLU A 74 14.789 2.364 -8.458 1.00 0.00 C ATOM 983 OE1 GLU A 74 15.872 2.804 -8.019 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.501 2.184 -9.661 1.00 0.00 O ATOM 0 H GLU A 74 11.615 -1.454 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 74 12.077 0.676 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.837 -0.139 -7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.866 0.557 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.928 2.770 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.145 2.022 -6.427 1.00 0.00 H new ATOM 992 N GLY A 75 10.116 2.026 -6.409 1.00 0.00 N ATOM 993 CA GLY A 75 9.016 2.923 -6.719 1.00 0.00 C ATOM 994 C GLY A 75 9.511 4.363 -6.875 1.00 0.00 C ATOM 995 O GLY A 75 10.614 4.594 -7.370 1.00 0.00 O ATOM 0 H GLY A 75 10.383 2.003 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.527 2.601 -7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.269 2.875 -5.927 1.00 0.00 H new ATOM 999 N PHE A 76 8.672 5.293 -6.444 1.00 0.00 N ATOM 1000 CA PHE A 76 9.010 6.703 -6.530 1.00 0.00 C ATOM 1001 C PHE A 76 8.656 7.432 -5.233 1.00 0.00 C ATOM 1002 O PHE A 76 7.652 7.117 -4.594 1.00 0.00 O ATOM 1003 CB PHE A 76 8.183 7.293 -7.675 1.00 0.00 C ATOM 1004 CG PHE A 76 8.885 7.254 -9.034 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.992 6.080 -9.712 1.00 0.00 C ATOM 1006 CD2 PHE A 76 9.404 8.396 -9.563 1.00 0.00 C ATOM 1007 CE1 PHE A 76 9.646 6.046 -10.973 1.00 0.00 C ATOM 1008 CE2 PHE A 76 10.056 8.361 -10.824 1.00 0.00 C ATOM 1009 CZ PHE A 76 10.162 7.186 -11.502 1.00 0.00 C ATOM 0 H PHE A 76 7.759 5.097 -6.034 1.00 0.00 H new ATOM 0 HA PHE A 76 10.080 6.819 -6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.242 6.748 -7.748 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.935 8.327 -7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.580 5.174 -9.292 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.320 9.328 -9.024 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.733 5.114 -11.511 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.468 9.267 -11.245 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.657 7.160 -12.462 1.00 0.00 H new ATOM 1019 N LEU A 77 9.497 8.395 -4.885 1.00 0.00 N ATOM 1020 CA LEU A 77 9.284 9.172 -3.674 1.00 0.00 C ATOM 1021 C LEU A 77 8.493 10.437 -4.017 1.00 0.00 C ATOM 1022 O LEU A 77 8.092 10.629 -5.165 1.00 0.00 O ATOM 1023 CB LEU A 77 10.616 9.451 -2.977 1.00 0.00 C ATOM 1024 CG LEU A 77 11.667 8.341 -3.068 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.847 8.775 -3.940 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.117 7.898 -1.675 1.00 0.00 C ATOM 0 H LEU A 77 10.326 8.655 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 77 8.687 8.607 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.041 10.362 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.417 9.651 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 77 11.211 7.476 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.579 7.969 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.492 9.004 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.311 9.662 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.863 7.109 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.550 8.747 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.259 7.522 -1.118 1.00 0.00 H new ATOM 1038 N PHE A 78 8.292 11.263 -3.003 1.00 0.00 N ATOM 1039 CA PHE A 78 7.555 12.503 -3.184 1.00 0.00 C ATOM 1040 C PHE A 78 8.416 13.554 -3.889 1.00 0.00 C ATOM 1041 O PHE A 78 7.891 14.474 -4.512 1.00 0.00 O ATOM 1042 CB PHE A 78 7.191 13.012 -1.787 1.00 0.00 C ATOM 1043 CG PHE A 78 6.380 14.311 -1.793 1.00 0.00 C ATOM 1044 CD1 PHE A 78 5.026 14.265 -1.912 1.00 0.00 C ATOM 1045 CD2 PHE A 78 7.013 15.509 -1.675 1.00 0.00 C ATOM 1046 CE1 PHE A 78 4.273 15.470 -1.916 1.00 0.00 C ATOM 1047 CE2 PHE A 78 6.260 16.712 -1.679 1.00 0.00 C ATOM 1048 CZ PHE A 78 4.905 16.667 -1.800 1.00 0.00 C ATOM 0 H PHE A 78 8.626 11.099 -2.053 1.00 0.00 H new ATOM 0 HA PHE A 78 6.671 12.326 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.621 12.242 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.107 13.170 -1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.524 13.313 -2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.088 15.545 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.198 15.434 -2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.762 17.664 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.332 17.583 -1.804 1.00 0.00 H new ATOM 1058 N ASP A 79 9.724 13.382 -3.765 1.00 0.00 N ATOM 1059 CA ASP A 79 10.663 14.304 -4.381 1.00 0.00 C ATOM 1060 C ASP A 79 10.563 14.184 -5.902 1.00 0.00 C ATOM 1061 O ASP A 79 10.719 15.172 -6.620 1.00 0.00 O ATOM 1062 CB ASP A 79 12.101 13.981 -3.975 1.00 0.00 C ATOM 1063 CG ASP A 79 13.177 14.514 -4.923 1.00 0.00 C ATOM 1064 OD1 ASP A 79 13.324 15.754 -4.975 1.00 0.00 O ATOM 1065 OD2 ASP A 79 13.828 13.669 -5.578 1.00 0.00 O ATOM 0 H ASP A 79 10.156 12.617 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 79 10.413 15.312 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.281 14.388 -2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.207 12.899 -3.901 1.00 0.00 H new ATOM 1071 N GLY A 80 10.302 12.965 -6.354 1.00 0.00 N ATOM 1072 CA GLY A 80 10.179 12.702 -7.777 1.00 0.00 C ATOM 1073 C GLY A 80 11.244 11.709 -8.245 1.00 0.00 C ATOM 1074 O GLY A 80 11.444 11.527 -9.445 1.00 0.00 O ATOM 0 H GLY A 80 10.172 12.148 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.187 12.305 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.277 13.635 -8.333 1.00 0.00 H new ATOM 1078 N THR A 81 11.900 11.091 -7.273 1.00 0.00 N ATOM 1079 CA THR A 81 12.937 10.119 -7.571 1.00 0.00 C ATOM 1080 C THR A 81 12.337 8.720 -7.707 1.00 0.00 C ATOM 1081 O THR A 81 11.255 8.452 -7.185 1.00 0.00 O ATOM 1082 CB THR A 81 14.007 10.219 -6.479 1.00 0.00 C ATOM 1083 OG1 THR A 81 14.910 11.206 -6.965 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.855 8.952 -6.373 1.00 0.00 C ATOM 0 H THR A 81 11.733 11.245 -6.279 1.00 0.00 H new ATOM 0 HA THR A 81 13.410 10.328 -8.531 1.00 0.00 H new ATOM 0 HB THR A 81 13.529 10.415 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.673 12.080 -6.590 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.597 9.076 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.213 8.103 -6.137 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.360 8.772 -7.322 1.00 0.00 H new ATOM 1092 N ARG A 82 13.063 7.865 -8.410 1.00 0.00 N ATOM 1093 CA ARG A 82 12.616 6.498 -8.623 1.00 0.00 C ATOM 1094 C ARG A 82 13.224 5.571 -7.568 1.00 0.00 C ATOM 1095 O ARG A 82 14.141 4.807 -7.864 1.00 0.00 O ATOM 1096 CB ARG A 82 13.005 6.001 -10.016 1.00 0.00 C ATOM 1097 CG ARG A 82 14.459 6.351 -10.337 1.00 0.00 C ATOM 1098 CD ARG A 82 14.990 5.492 -11.486 1.00 0.00 C ATOM 1099 NE ARG A 82 14.596 6.086 -12.784 1.00 0.00 N ATOM 1100 CZ ARG A 82 14.494 5.392 -13.926 1.00 0.00 C ATOM 1101 NH1 ARG A 82 14.755 4.079 -13.938 1.00 0.00 N ATOM 1102 NH2 ARG A 82 14.130 6.016 -15.057 1.00 0.00 N ATOM 0 H ARG A 82 13.959 8.092 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 82 11.529 6.487 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.866 4.921 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.347 6.447 -10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.533 7.406 -10.603 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.077 6.202 -9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.076 5.418 -11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.597 4.479 -11.406 1.00 0.00 H new ATOM 0 HE ARG A 82 14.390 7.085 -12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.032 3.606 -13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.677 3.551 -14.808 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.932 7.016 -15.046 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.052 5.490 -15.927 1.00 0.00 H new ATOM 1116 N TRP A 83 12.687 5.668 -6.361 1.00 0.00 N ATOM 1117 CA TRP A 83 13.164 4.846 -5.261 1.00 0.00 C ATOM 1118 C TRP A 83 12.054 3.862 -4.887 1.00 0.00 C ATOM 1119 O TRP A 83 12.047 2.724 -5.352 1.00 0.00 O ATOM 1120 CB TRP A 83 13.616 5.714 -4.085 1.00 0.00 C ATOM 1121 CG TRP A 83 14.118 4.916 -2.879 1.00 0.00 C ATOM 1122 CD1 TRP A 83 13.403 4.152 -2.043 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.478 4.837 -2.406 1.00 0.00 C ATOM 1124 NE1 TRP A 83 14.201 3.586 -1.068 1.00 0.00 N ATOM 1125 CE2 TRP A 83 15.503 4.015 -1.297 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.649 5.438 -2.899 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 16.674 3.721 -0.586 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.810 5.134 -2.179 1.00 0.00 C ATOM 1129 CH2 TRP A 83 17.853 4.311 -1.061 1.00 0.00 C ATOM 0 H TRP A 83 11.926 6.303 -6.120 1.00 0.00 H new ATOM 0 HA TRP A 83 14.045 4.277 -5.559 1.00 0.00 H new ATOM 0 HB2 TRP A 83 14.410 6.380 -4.423 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.784 6.343 -3.770 1.00 0.00 H new ATOM 0 HD1 TRP A 83 12.337 3.998 -2.121 1.00 0.00 H new ATOM 0 HE1 TRP A 83 13.892 2.967 -0.318 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.653 6.083 -3.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.668 3.076 0.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.738 5.570 -2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 83 18.792 4.126 -0.560 1.00 0.00 H new ATOM 1140 N GLY A 84 11.142 4.338 -4.052 1.00 0.00 N ATOM 1141 CA GLY A 84 10.029 3.516 -3.611 1.00 0.00 C ATOM 1142 C GLY A 84 10.528 2.224 -2.956 1.00 0.00 C ATOM 1143 O GLY A 84 10.644 1.194 -3.618 1.00 0.00 O ATOM 0 H GLY A 84 11.152 5.283 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.418 4.075 -2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.391 3.274 -4.461 1.00 0.00 H new ATOM 1147 N THR A 85 10.808 2.324 -1.666 1.00 0.00 N ATOM 1148 CA THR A 85 11.291 1.177 -0.913 1.00 0.00 C ATOM 1149 C THR A 85 12.475 0.528 -1.635 1.00 0.00 C ATOM 1150 O THR A 85 13.620 0.676 -1.212 1.00 0.00 O ATOM 1151 CB THR A 85 10.114 0.224 -0.699 1.00 0.00 C ATOM 1152 OG1 THR A 85 9.160 1.006 0.012 1.00 0.00 O ATOM 1153 CG2 THR A 85 10.454 -0.916 0.265 1.00 0.00 C ATOM 0 H THR A 85 10.710 3.181 -1.122 1.00 0.00 H new ATOM 0 HA THR A 85 11.669 1.475 0.065 1.00 0.00 H new ATOM 0 HB THR A 85 9.802 -0.191 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.313 1.017 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.586 -1.564 0.383 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.287 -1.495 -0.135 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.732 -0.502 1.234 1.00 0.00 H new ATOM 1161 N VAL A 86 12.158 -0.176 -2.711 1.00 0.00 N ATOM 1162 CA VAL A 86 13.180 -0.847 -3.494 1.00 0.00 C ATOM 1163 C VAL A 86 13.437 -2.237 -2.905 1.00 0.00 C ATOM 1164 O VAL A 86 13.548 -3.216 -3.641 1.00 0.00 O ATOM 1165 CB VAL A 86 14.442 0.016 -3.559 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.338 -0.410 -4.723 1.00 0.00 C ATOM 1167 CG2 VAL A 86 14.085 1.501 -3.654 1.00 0.00 C ATOM 0 H VAL A 86 11.207 -0.296 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 86 12.844 -0.985 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 86 15.001 -0.135 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.228 0.219 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.633 -1.451 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.792 -0.302 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.999 2.093 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.495 1.676 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.506 1.793 -2.778 1.00 0.00 H new ATOM 1177 N ASP A 87 13.524 -2.279 -1.584 1.00 0.00 N ATOM 1178 CA ASP A 87 13.765 -3.531 -0.889 1.00 0.00 C ATOM 1179 C ASP A 87 13.219 -3.431 0.537 1.00 0.00 C ATOM 1180 O ASP A 87 13.967 -3.153 1.473 1.00 0.00 O ATOM 1181 CB ASP A 87 15.264 -3.832 -0.801 1.00 0.00 C ATOM 1182 CG ASP A 87 15.625 -5.320 -0.827 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.712 -6.131 -0.564 1.00 0.00 O ATOM 1184 OD2 ASP A 87 16.807 -5.611 -1.108 1.00 0.00 O ATOM 0 H ASP A 87 13.432 -1.465 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 87 13.269 -4.327 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.769 -3.336 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.654 -3.394 0.118 1.00 0.00 H new ATOM 1190 N CYS A 88 11.921 -3.665 0.657 1.00 0.00 N ATOM 1191 CA CYS A 88 11.266 -3.603 1.952 1.00 0.00 C ATOM 1192 C CYS A 88 11.771 -4.771 2.801 1.00 0.00 C ATOM 1193 O CYS A 88 10.997 -5.649 3.180 1.00 0.00 O ATOM 1194 CB CYS A 88 9.742 -3.613 1.816 1.00 0.00 C ATOM 1195 SG CYS A 88 8.890 -2.210 2.623 1.00 0.00 S ATOM 0 H CYS A 88 11.305 -3.898 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 88 11.515 -2.663 2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.486 -3.614 0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.360 -4.543 2.237 1.00 0.00 H new ATOM 1200 N THR A 89 13.066 -4.746 3.074 1.00 0.00 N ATOM 1201 CA THR A 89 13.685 -5.792 3.870 1.00 0.00 C ATOM 1202 C THR A 89 13.707 -5.395 5.348 1.00 0.00 C ATOM 1203 O THR A 89 14.052 -6.204 6.207 1.00 0.00 O ATOM 1204 CB THR A 89 15.077 -6.068 3.294 1.00 0.00 C ATOM 1205 OG1 THR A 89 15.546 -7.188 4.038 1.00 0.00 O ATOM 1206 CG2 THR A 89 16.075 -4.956 3.624 1.00 0.00 C ATOM 0 H THR A 89 13.705 -4.017 2.758 1.00 0.00 H new ATOM 0 HA THR A 89 13.110 -6.717 3.822 1.00 0.00 H new ATOM 0 HB THR A 89 15.006 -6.185 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.165 -7.164 4.941 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.046 -5.199 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.720 -4.013 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 89 16.171 -4.862 4.706 1.00 0.00 H new ATOM 1214 N THR A 90 13.336 -4.148 5.598 1.00 0.00 N ATOM 1215 CA THR A 90 13.309 -3.634 6.957 1.00 0.00 C ATOM 1216 C THR A 90 12.223 -2.564 7.099 1.00 0.00 C ATOM 1217 O THR A 90 11.461 -2.573 8.066 1.00 0.00 O ATOM 1218 CB THR A 90 14.711 -3.124 7.297 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.446 -4.308 7.593 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.744 -2.329 8.603 1.00 0.00 C ATOM 0 H THR A 90 13.052 -3.479 4.883 1.00 0.00 H new ATOM 0 HA THR A 90 13.049 -4.415 7.671 1.00 0.00 H new ATOM 0 HB THR A 90 15.078 -2.499 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 90 14.962 -5.088 7.250 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.762 -1.991 8.797 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.084 -1.466 8.520 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.410 -2.964 9.424 1.00 0.00 H new ATOM 1228 N ALA A 91 12.186 -1.669 6.123 1.00 0.00 N ATOM 1229 CA ALA A 91 11.206 -0.596 6.130 1.00 0.00 C ATOM 1230 C ALA A 91 9.800 -1.195 6.144 1.00 0.00 C ATOM 1231 O ALA A 91 9.553 -2.222 5.513 1.00 0.00 O ATOM 1232 CB ALA A 91 11.441 0.316 4.923 1.00 0.00 C ATOM 0 H ALA A 91 12.818 -1.665 5.323 1.00 0.00 H new ATOM 0 HA ALA A 91 11.311 0.015 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.706 1.121 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.444 0.739 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.340 -0.263 4.005 1.00 0.00 H new ATOM 1238 N ALA A 92 8.915 -0.528 6.868 1.00 0.00 N ATOM 1239 CA ALA A 92 7.538 -0.984 6.973 1.00 0.00 C ATOM 1240 C ALA A 92 6.705 -0.329 5.869 1.00 0.00 C ATOM 1241 O ALA A 92 6.516 0.886 5.866 1.00 0.00 O ATOM 1242 CB ALA A 92 7.001 -0.670 8.372 1.00 0.00 C ATOM 0 H ALA A 92 9.123 0.324 7.388 1.00 0.00 H new ATOM 0 HA ALA A 92 7.479 -2.064 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.969 -1.012 8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.610 -1.180 9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.041 0.406 8.544 1.00 0.00 H new ATOM 1248 N CYS A 93 6.229 -1.164 4.957 1.00 0.00 N ATOM 1249 CA CYS A 93 5.421 -0.682 3.851 1.00 0.00 C ATOM 1250 C CYS A 93 3.948 -0.759 4.261 1.00 0.00 C ATOM 1251 O CYS A 93 3.478 -1.803 4.708 1.00 0.00 O ATOM 1252 CB CYS A 93 5.695 -1.466 2.566 1.00 0.00 C ATOM 1253 SG CYS A 93 7.053 -2.688 2.686 1.00 0.00 S ATOM 0 H CYS A 93 6.388 -2.172 4.962 1.00 0.00 H new ATOM 0 HA CYS A 93 5.683 0.353 3.632 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.783 -1.985 2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.930 -0.760 1.770 1.00 0.00 H new ATOM 1258 N GLN A 94 3.262 0.362 4.095 1.00 0.00 N ATOM 1259 CA GLN A 94 1.854 0.436 4.445 1.00 0.00 C ATOM 1260 C GLN A 94 0.987 0.233 3.199 1.00 0.00 C ATOM 1261 O GLN A 94 1.036 1.034 2.268 1.00 0.00 O ATOM 1262 CB GLN A 94 1.527 1.765 5.129 1.00 0.00 C ATOM 1263 CG GLN A 94 2.248 1.883 6.472 1.00 0.00 C ATOM 1264 CD GLN A 94 2.584 3.342 6.788 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.107 4.268 6.152 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.431 3.495 7.802 1.00 0.00 N ATOM 0 H GLN A 94 3.655 1.226 3.723 1.00 0.00 H new ATOM 0 HA GLN A 94 1.633 -0.363 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.819 2.592 4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.451 1.844 5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.621 1.471 7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.163 1.292 6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.793 2.677 8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.719 4.430 8.090 1.00 0.00 H new ATOM 1275 N VAL A 95 0.214 -0.844 3.225 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.661 -1.163 2.110 1.00 0.00 C ATOM 1277 C VAL A 95 -2.014 -0.479 2.319 1.00 0.00 C ATOM 1278 O VAL A 95 -2.758 -0.834 3.233 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.774 -2.681 1.954 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.237 -3.052 0.542 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.547 -3.369 2.296 1.00 0.00 C ATOM 0 H VAL A 95 0.176 -1.506 4.000 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.247 -0.784 1.176 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.526 -3.035 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.310 -4.136 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.213 -2.607 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.518 -2.678 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.437 -4.447 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.329 -3.007 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.818 -3.144 3.328 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.292 0.486 1.454 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.543 1.221 1.534 1.00 0.00 C ATOM 1293 C GLY A 96 -3.815 1.982 0.234 1.00 0.00 C ATOM 1294 O GLY A 96 -2.984 1.981 -0.674 1.00 0.00 O ATOM 0 H GLY A 96 -1.674 0.775 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.363 0.531 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.505 1.921 2.369 1.00 0.00 H new ATOM 1298 N LEU A 97 -4.979 2.613 0.186 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.368 3.376 -0.988 1.00 0.00 C ATOM 1300 C LEU A 97 -5.258 4.869 -0.679 1.00 0.00 C ATOM 1301 O LEU A 97 -5.697 5.323 0.377 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.757 2.947 -1.468 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.519 1.993 -0.547 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -8.934 1.741 -1.072 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -6.743 0.690 -0.344 1.00 0.00 C ATOM 0 H LEU A 97 -5.665 2.612 0.941 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.692 3.172 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.362 3.842 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.652 2.472 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.616 2.465 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.455 1.060 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.476 2.685 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.880 1.299 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.307 0.030 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.594 0.201 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.774 0.910 0.105 1.00 0.00 H new ATOM 1317 N SER A 98 -4.669 5.594 -1.620 1.00 0.00 N ATOM 1318 CA SER A 98 -4.495 7.028 -1.461 1.00 0.00 C ATOM 1319 C SER A 98 -5.476 7.777 -2.369 1.00 0.00 C ATOM 1320 O SER A 98 -5.776 7.323 -3.470 1.00 0.00 O ATOM 1321 CB SER A 98 -3.057 7.446 -1.771 1.00 0.00 C ATOM 1322 OG SER A 98 -2.750 7.306 -3.157 1.00 0.00 O ATOM 0 H SER A 98 -4.307 5.215 -2.495 1.00 0.00 H new ATOM 0 HA SER A 98 -4.702 7.286 -0.422 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.907 8.482 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.368 6.840 -1.183 1.00 0.00 H new ATOM 0 HG SER A 98 -2.081 7.975 -3.413 1.00 0.00 H new ATOM 1328 N ASP A 99 -5.944 8.912 -1.869 1.00 0.00 N ATOM 1329 CA ASP A 99 -6.881 9.726 -2.621 1.00 0.00 C ATOM 1330 C ASP A 99 -6.334 9.959 -4.032 1.00 0.00 C ATOM 1331 O ASP A 99 -5.147 9.759 -4.280 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.076 11.092 -1.959 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.009 11.087 -0.431 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.978 12.198 0.140 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.988 9.971 0.133 1.00 0.00 O ATOM 0 H ASP A 99 -5.692 9.285 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.835 9.199 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.315 11.774 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.043 11.492 -2.264 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.228 10.377 -4.916 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.848 10.638 -6.295 1.00 0.00 C ATOM 1343 C ALA A 100 -6.043 11.937 -6.360 1.00 0.00 C ATOM 1344 O ALA A 100 -5.545 12.308 -7.422 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.103 10.688 -7.168 1.00 0.00 C ATOM 0 H ALA A 100 -8.212 10.541 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.215 9.837 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.819 10.884 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.625 9.733 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.760 11.483 -6.815 1.00 0.00 H new ATOM 1351 N ALA A 101 -5.938 12.591 -5.213 1.00 0.00 N ATOM 1352 CA ALA A 101 -5.200 13.839 -5.127 1.00 0.00 C ATOM 1353 C ALA A 101 -3.765 13.548 -4.687 1.00 0.00 C ATOM 1354 O ALA A 101 -2.867 14.361 -4.907 1.00 0.00 O ATOM 1355 CB ALA A 101 -5.921 14.794 -4.173 1.00 0.00 C ATOM 0 H ALA A 101 -6.352 12.280 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.154 14.326 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.367 15.731 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.926 14.992 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.984 14.341 -3.184 1.00 0.00 H new ATOM 1361 N GLY A 102 -3.592 12.388 -4.071 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.280 11.982 -3.598 1.00 0.00 C ATOM 1363 C GLY A 102 -2.076 12.384 -2.136 1.00 0.00 C ATOM 1364 O GLY A 102 -1.042 12.952 -1.784 1.00 0.00 O ATOM 0 H GLY A 102 -4.338 11.717 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.170 10.902 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.508 12.441 -4.216 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.075 12.075 -1.325 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.017 12.399 0.091 1.00 0.00 C ATOM 1370 C ASN A 103 -3.771 11.330 0.885 1.00 0.00 C ATOM 1371 O ASN A 103 -4.596 10.605 0.329 1.00 0.00 O ATOM 1372 CB ASN A 103 -3.675 13.751 0.375 1.00 0.00 C ATOM 1373 CG ASN A 103 -2.877 14.893 -0.259 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -3.124 15.072 -1.553 1.00 0.00 O flip ATOM 1375 ND2 ASN A 103 -2.089 15.564 0.384 1.00 0.00 N flip ATOM 0 H ASN A 103 -3.930 11.604 -1.620 1.00 0.00 H new ATOM 0 HA ASN A 103 -1.968 12.440 0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.693 13.753 -0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.746 13.906 1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.947 15.373 1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.571 16.317 -0.070 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.466 11.268 2.173 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.105 10.302 3.048 1.00 0.00 C ATOM 1384 C GLY A 104 -3.130 9.192 3.446 1.00 0.00 C ATOM 1385 O GLY A 104 -2.817 8.317 2.640 1.00 0.00 O ATOM 0 H GLY A 104 -2.784 11.872 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.474 10.804 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.970 9.868 2.546 1.00 0.00 H new ATOM 1389 N PRO A 105 -2.663 9.266 4.721 1.00 0.00 N ATOM 1390 CA PRO A 105 -1.728 8.280 5.234 1.00 0.00 C ATOM 1391 C PRO A 105 -2.438 6.958 5.535 1.00 0.00 C ATOM 1392 O PRO A 105 -2.317 6.421 6.635 1.00 0.00 O ATOM 1393 CB PRO A 105 -1.119 8.921 6.472 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.065 10.042 6.869 1.00 0.00 C ATOM 1395 CD PRO A 105 -3.011 10.289 5.704 1.00 0.00 C ATOM 0 HA PRO A 105 -0.952 8.021 4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.015 8.194 7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.122 9.308 6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.625 9.770 7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.506 10.947 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.052 10.202 6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.883 11.291 5.295 1.00 0.00 H new ATOM 1403 N GLU A 106 -3.162 6.473 4.538 1.00 0.00 N ATOM 1404 CA GLU A 106 -3.890 5.223 4.681 1.00 0.00 C ATOM 1405 C GLU A 106 -3.019 4.046 4.236 1.00 0.00 C ATOM 1406 O GLU A 106 -2.395 4.096 3.178 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.202 5.260 3.896 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.401 5.047 4.823 1.00 0.00 C ATOM 1409 CD GLU A 106 -6.578 6.233 5.773 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -6.354 6.025 6.986 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -6.930 7.319 5.266 1.00 0.00 O ATOM 0 H GLU A 106 -3.261 6.922 3.628 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.137 5.089 5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.298 6.218 3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.191 4.489 3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.305 4.914 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.261 4.133 5.400 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.004 3.013 5.068 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.220 1.827 4.774 1.00 0.00 C ATOM 1421 C GLY A 107 -1.777 1.130 6.060 1.00 0.00 C ATOM 1422 O GLY A 107 -1.449 1.789 7.047 1.00 0.00 O ATOM 0 H GLY A 107 -3.523 2.974 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.809 1.139 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.345 2.102 4.185 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.781 -0.194 6.012 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.384 -0.988 7.161 1.00 0.00 C ATOM 1428 C VAL A 108 0.011 -1.568 6.917 1.00 0.00 C ATOM 1429 O VAL A 108 0.257 -2.188 5.883 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.438 -2.060 7.447 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.241 -3.277 6.540 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.419 -2.467 8.921 1.00 0.00 C ATOM 0 H VAL A 108 -2.054 -0.737 5.193 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.325 -0.365 8.054 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.418 -1.634 7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.003 -4.024 6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.327 -2.971 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.253 -3.703 6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.177 -3.230 9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.437 -2.866 9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.629 -1.596 9.542 1.00 0.00 H new ATOM 1442 N ALA A 109 0.886 -1.349 7.887 1.00 0.00 N ATOM 1443 CA ALA A 109 2.249 -1.843 7.788 1.00 0.00 C ATOM 1444 C ALA A 109 2.226 -3.358 7.577 1.00 0.00 C ATOM 1445 O ALA A 109 2.254 -4.123 8.540 1.00 0.00 O ATOM 1446 CB ALA A 109 3.028 -1.443 9.044 1.00 0.00 C ATOM 0 H ALA A 109 0.678 -0.837 8.744 1.00 0.00 H new ATOM 0 HA ALA A 109 2.756 -1.399 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.051 -1.813 8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.041 -0.357 9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.548 -1.874 9.923 1.00 0.00 H new ATOM 1452 N ILE A 110 2.170 -3.746 6.312 1.00 0.00 N ATOM 1453 CA ILE A 110 2.141 -5.155 5.961 1.00 0.00 C ATOM 1454 C ILE A 110 3.423 -5.516 5.209 1.00 0.00 C ATOM 1455 O ILE A 110 4.127 -4.636 4.714 1.00 0.00 O ATOM 1456 CB ILE A 110 0.862 -5.490 5.192 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.053 -6.568 5.915 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.177 -5.881 3.747 1.00 0.00 C ATOM 1459 CD1 ILE A 110 0.255 -7.937 5.261 1.00 0.00 C ATOM 0 H ILE A 110 2.144 -3.108 5.516 1.00 0.00 H new ATOM 0 HA ILE A 110 2.115 -5.770 6.860 1.00 0.00 H new ATOM 0 HB ILE A 110 0.242 -4.594 5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 110 0.354 -6.613 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.005 -6.306 5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.250 -6.114 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.678 -5.052 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.828 -6.756 3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.331 -8.685 5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.070 -7.895 4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.310 -8.207 5.301 1.00 0.00 H new ATOM 1471 N SER A 111 3.690 -6.813 5.145 1.00 0.00 N ATOM 1472 CA SER A 111 4.874 -7.300 4.460 1.00 0.00 C ATOM 1473 C SER A 111 5.989 -7.571 5.473 1.00 0.00 C ATOM 1474 O SER A 111 6.553 -8.666 5.502 1.00 0.00 O ATOM 1475 CB SER A 111 5.350 -6.303 3.402 1.00 0.00 C ATOM 1476 OG SER A 111 6.169 -6.922 2.414 1.00 0.00 O ATOM 0 H SER A 111 3.106 -7.541 5.557 1.00 0.00 H new ATOM 0 HA SER A 111 4.617 -8.230 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.486 -5.845 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.908 -5.501 3.885 1.00 0.00 H new ATOM 0 HG SER A 111 6.451 -6.252 1.756 1.00 0.00 H new ATOM 1482 N PHE A 112 6.272 -6.560 6.278 1.00 0.00 N ATOM 1483 CA PHE A 112 7.310 -6.675 7.289 1.00 0.00 C ATOM 1484 C PHE A 112 7.479 -8.128 7.737 1.00 0.00 C ATOM 1485 O PHE A 112 6.500 -8.861 7.861 1.00 0.00 O ATOM 1486 CB PHE A 112 6.865 -5.834 8.487 1.00 0.00 C ATOM 1487 CG PHE A 112 8.010 -5.391 9.398 1.00 0.00 C ATOM 1488 CD1 PHE A 112 8.594 -6.286 10.239 1.00 0.00 C ATOM 1489 CD2 PHE A 112 8.445 -4.103 9.367 1.00 0.00 C ATOM 1490 CE1 PHE A 112 9.657 -5.876 11.085 1.00 0.00 C ATOM 1491 CE2 PHE A 112 9.509 -3.694 10.214 1.00 0.00 C ATOM 1492 CZ PHE A 112 10.092 -4.588 11.055 1.00 0.00 C ATOM 0 H PHE A 112 5.801 -5.656 6.252 1.00 0.00 H new ATOM 0 HA PHE A 112 8.263 -6.333 6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.342 -4.950 8.122 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.149 -6.408 9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.249 -7.309 10.263 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.982 -3.392 8.699 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.121 -6.587 11.753 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.855 -2.671 10.190 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.901 -4.276 11.699 1.00 0.00 H new ATOM 1502 N ASN A 113 8.729 -8.502 7.968 1.00 0.00 N ATOM 1503 CA ASN A 113 9.039 -9.855 8.398 1.00 0.00 C ATOM 1504 C ASN A 113 9.037 -9.910 9.926 1.00 0.00 C ATOM 1505 O ASN A 113 8.185 -10.564 10.527 1.00 0.00 O ATOM 1506 CB ASN A 113 10.425 -10.283 7.913 1.00 0.00 C ATOM 1507 CG ASN A 113 10.824 -11.632 8.515 1.00 0.00 C ATOM 1508 OD1 ASN A 113 11.035 -11.769 9.708 1.00 0.00 O ATOM 1509 ND2 ASN A 113 10.916 -12.615 7.627 1.00 0.00 N ATOM 0 H ASN A 113 9.539 -7.891 7.865 1.00 0.00 H new ATOM 0 HA ASN A 113 8.288 -10.524 7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.429 -10.351 6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.160 -9.526 8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.177 -13.553 7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.726 -12.432 6.642 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.835 7.307 0.773 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.440 6.761 -0.453 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.282 5.550 -0.454 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.682 4.953 -1.646 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.329 5.538 -2.847 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.398 6.742 -2.872 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.762 7.406 -1.669 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.085 8.815 -1.703 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.531 9.319 -2.734 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.958 9.719 -0.553 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.686 10.993 -0.579 1.00 0.00 C HETATM 1528 C13 NCZ A 130 3.060 10.879 0.090 1.00 0.00 C HETATM 1529 C14 NCZ A 130 2.965 11.297 1.358 1.00 0.00 C HETATM 1530 C15 NCZ A 130 1.674 11.965 1.660 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.957 12.023 0.297 1.00 0.00 C HETATM 1532 O6 NCZ A 130 1.086 13.377 -0.225 1.00 0.00 O HETATM 1533 O5 NCZ A 130 4.006 11.696 -0.603 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.706 7.266 -4.139 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.604 4.973 0.750 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.207 5.554 1.945 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.519 6.721 1.968 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.902 7.252 3.190 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.276 8.628 3.417 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.405 3.710 0.841 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.380 3.864 0.379 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -0.880 2.908 0.322 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.538 3.438 1.888 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.139 8.877 2.799 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.442 9.280 3.156 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.530 8.767 4.468 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.617 5.062 -3.784 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.268 4.034 -1.632 1.00 0.00 H new HETATM 0 H6 NCZ A 130 0.454 13.505 -0.963 1.00 0.00 H new HETATM 0 H5 NCZ A 130 4.070 12.569 -0.162 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.476 5.075 2.886 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.080 8.166 -4.039 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.108 11.794 0.343 1.00 0.00 H new HETATM 0 H15 NCZ A 130 1.316 12.330 2.623 1.00 0.00 H new HETATM 0 H14 NCZ A 130 3.756 11.161 2.095 1.00 0.00 H new HETATM 0 H13 NCZ A 130 3.391 9.841 0.062 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.762 11.272 -1.630 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.414 8.230 0.776 1.00 0.00 H new