USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN :FLIP amide:sc= 0.934 F(o=-15!,f=-7.4) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -8.37! C(o=-13!,f=-7.4!) USER MOD Set 2.1: A 27 GLN : amide:sc= -14! C(o=-15!,f=-19!) USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= -0.786 USER MOD Set 3.1: A 14 SER OG : rot -131:sc= 1.02 USER MOD Set 3.2: A 17 THR OG1 : rot 59:sc= 0.0805 USER MOD Single : A 1 ALA N :NH3+ -156:sc= 0 (180deg=-0.726) USER MOD Single : A 4 THR OG1 : rot -31:sc= -0.448! USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.06! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.88 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -69:sc= -5.04! USER MOD Single : A 60 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.9!) USER MOD Single : A 62 SER OG : rot -179:sc= -1.49 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -110:sc= -1.65 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 72 SER OG : rot -15:sc= 0.582! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 38:sc= -0.825! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.3!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.912 K(o=-0.91,f=-1.8) USER MOD Single : A 111 SER OG : rot -100:sc= 0.00215! USER MOD Single : A 113 ASN : amide:sc= -1 K(o=-1,f=-4.1!) USER MOD Single : A 130 NCZ O2 : rot 178:sc= 0.936 USER MOD Single : A 130 NCZ O5 : rot -28:sc= 1.15 USER MOD Single : A 130 NCZ O6 : rot -166:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.651 0.424 9.789 1.00 0.00 N ATOM 2 CA ALA A 1 -3.879 -0.806 9.848 1.00 0.00 C ATOM 3 C ALA A 1 -4.831 -2.002 9.772 1.00 0.00 C ATOM 4 O ALA A 1 -5.114 -2.509 8.685 1.00 0.00 O ATOM 5 CB ALA A 1 -3.032 -0.817 11.122 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.049 1.195 9.437 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.460 0.296 9.148 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.998 0.662 10.740 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.195 -0.872 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.453 -1.740 11.166 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.354 0.037 11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.684 -0.756 11.993 1.00 0.00 H new ATOM 11 N ALA A 2 -5.298 -2.423 10.938 1.00 0.00 N ATOM 12 CA ALA A 2 -6.212 -3.550 11.016 1.00 0.00 C ATOM 13 C ALA A 2 -7.525 -3.187 10.318 1.00 0.00 C ATOM 14 O ALA A 2 -8.007 -3.934 9.471 1.00 0.00 O ATOM 15 CB ALA A 2 -6.419 -3.939 12.481 1.00 0.00 C ATOM 0 H ALA A 2 -5.060 -2.004 11.837 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.796 -4.417 10.504 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.105 -4.784 12.540 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.462 -4.217 12.922 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.838 -3.093 13.026 1.00 0.00 H new ATOM 21 N PRO A 3 -8.077 -2.008 10.712 1.00 0.00 N ATOM 22 CA PRO A 3 -9.324 -1.537 10.134 1.00 0.00 C ATOM 23 C PRO A 3 -9.104 -1.001 8.719 1.00 0.00 C ATOM 24 O PRO A 3 -8.049 -1.219 8.124 1.00 0.00 O ATOM 25 CB PRO A 3 -9.830 -0.476 11.099 1.00 0.00 C ATOM 26 CG PRO A 3 -8.625 -0.064 11.932 1.00 0.00 C ATOM 27 CD PRO A 3 -7.532 -1.097 11.712 1.00 0.00 C ATOM 0 HA PRO A 3 -10.060 -2.333 10.017 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.243 0.377 10.561 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.626 -0.870 11.731 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.279 0.927 11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.891 -0.009 12.988 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.611 -0.630 11.362 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.292 -1.622 12.637 1.00 0.00 H new ATOM 35 N THR A 4 -10.118 -0.309 8.219 1.00 0.00 N ATOM 36 CA THR A 4 -10.048 0.259 6.883 1.00 0.00 C ATOM 37 C THR A 4 -9.481 -0.764 5.896 1.00 0.00 C ATOM 38 O THR A 4 -9.834 -1.939 5.945 1.00 0.00 O ATOM 39 CB THR A 4 -9.229 1.549 6.961 1.00 0.00 C ATOM 40 OG1 THR A 4 -7.876 1.104 6.929 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.362 2.246 8.316 1.00 0.00 C ATOM 0 H THR A 4 -10.991 -0.129 8.714 1.00 0.00 H new ATOM 0 HA THR A 4 -11.040 0.509 6.507 1.00 0.00 H new ATOM 0 HB THR A 4 -9.547 2.229 6.171 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.810 0.225 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.761 3.155 8.318 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.407 2.501 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.013 1.579 9.104 1.00 0.00 H new ATOM 49 N ALA A 5 -8.607 -0.276 5.026 1.00 0.00 N ATOM 50 CA ALA A 5 -7.987 -1.133 4.029 1.00 0.00 C ATOM 51 C ALA A 5 -6.845 -1.918 4.679 1.00 0.00 C ATOM 52 O ALA A 5 -6.024 -1.348 5.395 1.00 0.00 O ATOM 53 CB ALA A 5 -7.512 -0.282 2.851 1.00 0.00 C ATOM 0 H ALA A 5 -8.314 0.700 4.991 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.706 -1.855 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.047 -0.924 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.364 0.234 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.786 0.452 3.202 1.00 0.00 H new ATOM 59 N THR A 6 -6.832 -3.215 4.405 1.00 0.00 N ATOM 60 CA THR A 6 -5.804 -4.084 4.954 1.00 0.00 C ATOM 61 C THR A 6 -5.549 -5.265 4.014 1.00 0.00 C ATOM 62 O THR A 6 -6.184 -5.379 2.967 1.00 0.00 O ATOM 63 CB THR A 6 -6.244 -4.508 6.356 1.00 0.00 C ATOM 64 OG1 THR A 6 -5.998 -5.911 6.388 1.00 0.00 O ATOM 65 CG2 THR A 6 -7.757 -4.391 6.556 1.00 0.00 C ATOM 0 H THR A 6 -7.516 -3.684 3.811 1.00 0.00 H new ATOM 0 HA THR A 6 -4.850 -3.564 5.040 1.00 0.00 H new ATOM 0 HB THR A 6 -5.731 -3.895 7.097 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.254 -6.268 7.264 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.016 -4.704 7.568 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.065 -3.356 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.270 -5.029 5.836 1.00 0.00 H new ATOM 73 N VAL A 7 -4.615 -6.113 4.424 1.00 0.00 N ATOM 74 CA VAL A 7 -4.267 -7.281 3.632 1.00 0.00 C ATOM 75 C VAL A 7 -4.605 -8.546 4.421 1.00 0.00 C ATOM 76 O VAL A 7 -4.295 -8.644 5.607 1.00 0.00 O ATOM 77 CB VAL A 7 -2.795 -7.210 3.217 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.927 -8.079 4.130 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.619 -7.610 1.751 1.00 0.00 C ATOM 0 H VAL A 7 -4.090 -6.014 5.293 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.851 -7.307 2.712 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.465 -6.177 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.886 -8.011 3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.018 -7.730 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.258 -9.116 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.564 -7.551 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.974 -8.631 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.193 -6.934 1.118 1.00 0.00 H new ATOM 89 N THR A 8 -5.241 -9.482 3.730 1.00 0.00 N ATOM 90 CA THR A 8 -5.627 -10.738 4.352 1.00 0.00 C ATOM 91 C THR A 8 -4.490 -11.271 5.227 1.00 0.00 C ATOM 92 O THR A 8 -4.676 -11.497 6.422 1.00 0.00 O ATOM 93 CB THR A 8 -6.045 -11.705 3.243 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.469 -11.711 3.306 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.653 -13.152 3.550 1.00 0.00 C ATOM 0 H THR A 8 -5.498 -9.396 2.747 1.00 0.00 H new ATOM 0 HA THR A 8 -6.476 -10.604 5.023 1.00 0.00 H new ATOM 0 HB THR A 8 -5.589 -11.397 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.824 -12.312 2.618 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.973 -13.797 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.571 -13.219 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.136 -13.472 4.474 1.00 0.00 H new ATOM 103 N PRO A 9 -3.309 -11.462 4.579 1.00 0.00 N ATOM 104 CA PRO A 9 -2.141 -11.966 5.286 1.00 0.00 C ATOM 105 C PRO A 9 -1.524 -10.878 6.167 1.00 0.00 C ATOM 106 O PRO A 9 -2.190 -9.906 6.519 1.00 0.00 O ATOM 107 CB PRO A 9 -1.202 -12.450 4.195 1.00 0.00 C ATOM 108 CG PRO A 9 -1.670 -11.783 2.914 1.00 0.00 C ATOM 109 CD PRO A 9 -3.053 -11.205 3.166 1.00 0.00 C ATOM 0 HA PRO A 9 -2.381 -12.776 5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.170 -12.181 4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.236 -13.536 4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.976 -10.996 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.701 -12.505 2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.083 -10.138 2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.803 -11.682 2.534 1.00 0.00 H new ATOM 117 N SER A 10 -0.258 -11.079 6.500 1.00 0.00 N ATOM 118 CA SER A 10 0.458 -10.129 7.333 1.00 0.00 C ATOM 119 C SER A 10 1.941 -10.117 6.959 1.00 0.00 C ATOM 120 O SER A 10 2.541 -9.052 6.820 1.00 0.00 O ATOM 121 CB SER A 10 0.286 -10.459 8.817 1.00 0.00 C ATOM 122 OG SER A 10 -1.083 -10.454 9.211 1.00 0.00 O ATOM 0 H SER A 10 0.291 -11.887 6.207 1.00 0.00 H new ATOM 0 HA SER A 10 0.039 -9.138 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.719 -11.438 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.838 -9.734 9.416 1.00 0.00 H new ATOM 0 HG SER A 10 -1.150 -10.671 10.164 1.00 0.00 H new ATOM 128 N SER A 11 2.489 -11.314 6.806 1.00 0.00 N ATOM 129 CA SER A 11 3.892 -11.454 6.451 1.00 0.00 C ATOM 130 C SER A 11 4.117 -10.984 5.013 1.00 0.00 C ATOM 131 O SER A 11 4.505 -11.770 4.151 1.00 0.00 O ATOM 132 CB SER A 11 4.358 -12.902 6.615 1.00 0.00 C ATOM 133 OG SER A 11 4.279 -13.339 7.971 1.00 0.00 O ATOM 0 H SER A 11 1.988 -12.195 6.921 1.00 0.00 H new ATOM 0 HA SER A 11 4.480 -10.832 7.126 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.748 -13.552 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.386 -12.994 6.264 1.00 0.00 H new ATOM 0 HG SER A 11 4.583 -14.268 8.033 1.00 0.00 H new ATOM 139 N GLY A 12 3.864 -9.699 4.798 1.00 0.00 N ATOM 140 CA GLY A 12 4.033 -9.115 3.480 1.00 0.00 C ATOM 141 C GLY A 12 5.281 -9.671 2.789 1.00 0.00 C ATOM 142 O GLY A 12 5.345 -9.725 1.562 1.00 0.00 O ATOM 0 H GLY A 12 3.544 -9.048 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.153 -9.322 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.113 -8.031 3.566 1.00 0.00 H new ATOM 146 N LEU A 13 6.243 -10.073 3.609 1.00 0.00 N ATOM 147 CA LEU A 13 7.484 -10.622 3.093 1.00 0.00 C ATOM 148 C LEU A 13 7.273 -12.097 2.734 1.00 0.00 C ATOM 149 O LEU A 13 7.931 -12.973 3.291 1.00 0.00 O ATOM 150 CB LEU A 13 8.626 -10.388 4.083 1.00 0.00 C ATOM 151 CG LEU A 13 8.451 -11.010 5.470 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.059 -12.413 5.523 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.021 -10.096 6.557 1.00 0.00 C ATOM 0 H LEU A 13 6.187 -10.029 4.626 1.00 0.00 H new ATOM 0 HA LEU A 13 7.777 -10.108 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.545 -10.778 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.761 -9.313 4.203 1.00 0.00 H new ATOM 0 HG LEU A 13 7.384 -11.115 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.921 -12.832 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.566 -13.051 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.124 -12.357 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.884 -10.562 7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.084 -9.936 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.502 -9.138 6.536 1.00 0.00 H new ATOM 165 N SER A 14 6.354 -12.321 1.808 1.00 0.00 N ATOM 166 CA SER A 14 6.048 -13.671 1.367 1.00 0.00 C ATOM 167 C SER A 14 6.138 -13.758 -0.158 1.00 0.00 C ATOM 168 O SER A 14 5.120 -13.686 -0.846 1.00 0.00 O ATOM 169 CB SER A 14 4.663 -14.107 1.846 1.00 0.00 C ATOM 170 OG SER A 14 4.355 -15.439 1.449 1.00 0.00 O ATOM 0 H SER A 14 5.810 -11.590 1.350 1.00 0.00 H new ATOM 0 HA SER A 14 6.782 -14.348 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.615 -14.033 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.911 -13.427 1.447 1.00 0.00 H new ATOM 0 HG SER A 14 3.466 -15.460 1.037 1.00 0.00 H new ATOM 176 N ASP A 15 7.361 -13.912 -0.640 1.00 0.00 N ATOM 177 CA ASP A 15 7.595 -14.009 -2.070 1.00 0.00 C ATOM 178 C ASP A 15 6.364 -13.498 -2.820 1.00 0.00 C ATOM 179 O ASP A 15 5.557 -14.287 -3.308 1.00 0.00 O ATOM 180 CB ASP A 15 7.836 -15.461 -2.492 1.00 0.00 C ATOM 181 CG ASP A 15 9.307 -15.868 -2.597 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.590 -16.756 -3.430 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.114 -15.284 -1.842 1.00 0.00 O ATOM 0 H ASP A 15 8.202 -13.972 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 15 8.476 -13.413 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.343 -16.118 -1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.359 -15.627 -3.458 1.00 0.00 H new ATOM 189 N GLY A 16 6.257 -12.179 -2.888 1.00 0.00 N ATOM 190 CA GLY A 16 5.139 -11.552 -3.569 1.00 0.00 C ATOM 191 C GLY A 16 3.849 -12.344 -3.350 1.00 0.00 C ATOM 192 O GLY A 16 3.304 -12.922 -4.289 1.00 0.00 O ATOM 0 H GLY A 16 6.928 -11.527 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.011 -10.533 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.351 -11.483 -4.636 1.00 0.00 H new ATOM 196 N THR A 17 3.398 -12.348 -2.104 1.00 0.00 N ATOM 197 CA THR A 17 2.183 -13.062 -1.750 1.00 0.00 C ATOM 198 C THR A 17 0.954 -12.311 -2.263 1.00 0.00 C ATOM 199 O THR A 17 0.768 -11.135 -1.954 1.00 0.00 O ATOM 200 CB THR A 17 2.182 -13.267 -0.233 1.00 0.00 C ATOM 201 OG1 THR A 17 2.770 -14.551 -0.054 1.00 0.00 O ATOM 202 CG2 THR A 17 0.768 -13.422 0.335 1.00 0.00 C ATOM 0 H THR A 17 3.852 -11.868 -1.327 1.00 0.00 H new ATOM 0 HA THR A 17 2.146 -14.042 -2.226 1.00 0.00 H new ATOM 0 HB THR A 17 2.677 -12.423 0.247 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.669 -14.556 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.823 -13.565 1.414 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.188 -12.525 0.117 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.285 -14.286 -0.121 1.00 0.00 H new ATOM 210 N VAL A 18 0.148 -13.019 -3.040 1.00 0.00 N ATOM 211 CA VAL A 18 -1.058 -12.434 -3.600 1.00 0.00 C ATOM 212 C VAL A 18 -2.242 -12.739 -2.680 1.00 0.00 C ATOM 213 O VAL A 18 -2.486 -13.895 -2.340 1.00 0.00 O ATOM 214 CB VAL A 18 -1.267 -12.935 -5.030 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.983 -11.882 -5.880 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.061 -13.342 -5.668 1.00 0.00 C ATOM 0 H VAL A 18 0.307 -13.994 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.964 -11.350 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.902 -13.820 -4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.119 -12.263 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.956 -11.661 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.384 -10.972 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.116 -13.694 -6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.731 -12.483 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.517 -14.140 -5.082 1.00 0.00 H new ATOM 226 N VAL A 19 -2.946 -11.682 -2.304 1.00 0.00 N ATOM 227 CA VAL A 19 -4.098 -11.821 -1.431 1.00 0.00 C ATOM 228 C VAL A 19 -5.116 -10.726 -1.756 1.00 0.00 C ATOM 229 O VAL A 19 -4.989 -10.037 -2.769 1.00 0.00 O ATOM 230 CB VAL A 19 -3.652 -11.805 0.032 1.00 0.00 C ATOM 231 CG1 VAL A 19 -3.263 -13.209 0.502 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.502 -10.819 0.243 1.00 0.00 C ATOM 0 H VAL A 19 -2.740 -10.724 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.588 -12.780 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.496 -11.471 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.950 -13.170 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.120 -13.876 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.442 -13.583 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.204 -10.827 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.655 -11.110 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.827 -9.816 -0.034 1.00 0.00 H new ATOM 242 N LYS A 20 -6.102 -10.599 -0.880 1.00 0.00 N ATOM 243 CA LYS A 20 -7.139 -9.598 -1.063 1.00 0.00 C ATOM 244 C LYS A 20 -7.098 -8.609 0.104 1.00 0.00 C ATOM 245 O LYS A 20 -6.929 -9.007 1.256 1.00 0.00 O ATOM 246 CB LYS A 20 -8.502 -10.270 -1.252 1.00 0.00 C ATOM 247 CG LYS A 20 -8.896 -11.073 -0.013 1.00 0.00 C ATOM 248 CD LYS A 20 -10.095 -11.978 -0.302 1.00 0.00 C ATOM 249 CE LYS A 20 -10.460 -12.816 0.926 1.00 0.00 C ATOM 250 NZ LYS A 20 -11.242 -14.005 0.526 1.00 0.00 N ATOM 0 H LYS A 20 -6.205 -11.172 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.961 -9.025 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.259 -9.513 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.469 -10.928 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.051 -11.678 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.138 -10.393 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.950 -11.371 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.865 -12.636 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.553 -13.127 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.037 -12.213 1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.482 -14.563 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.116 -13.702 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.679 -14.588 -0.126 1.00 0.00 H new ATOM 264 N VAL A 21 -7.259 -7.337 -0.234 1.00 0.00 N ATOM 265 CA VAL A 21 -7.241 -6.288 0.770 1.00 0.00 C ATOM 266 C VAL A 21 -8.672 -5.811 1.028 1.00 0.00 C ATOM 267 O VAL A 21 -9.313 -5.252 0.140 1.00 0.00 O ATOM 268 CB VAL A 21 -6.306 -5.160 0.335 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.724 -3.827 0.961 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.852 -5.493 0.670 1.00 0.00 C ATOM 0 H VAL A 21 -7.402 -7.010 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.849 -6.670 1.713 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.385 -5.059 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.042 -3.042 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.738 -3.580 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.690 -3.909 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.208 -4.674 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.750 -5.636 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.560 -6.407 0.153 1.00 0.00 H new ATOM 280 N ALA A 22 -9.133 -6.051 2.248 1.00 0.00 N ATOM 281 CA ALA A 22 -10.477 -5.656 2.632 1.00 0.00 C ATOM 282 C ALA A 22 -10.438 -4.236 3.206 1.00 0.00 C ATOM 283 O ALA A 22 -9.518 -3.883 3.941 1.00 0.00 O ATOM 284 CB ALA A 22 -11.043 -6.670 3.626 1.00 0.00 C ATOM 0 H ALA A 22 -8.599 -6.514 2.983 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.138 -5.646 1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.052 -6.373 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.073 -7.656 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.408 -6.705 4.511 1.00 0.00 H new ATOM 290 N GLY A 23 -11.452 -3.461 2.845 1.00 0.00 N ATOM 291 CA GLY A 23 -11.546 -2.089 3.315 1.00 0.00 C ATOM 292 C GLY A 23 -12.817 -1.878 4.140 1.00 0.00 C ATOM 293 O GLY A 23 -13.906 -1.738 3.586 1.00 0.00 O ATOM 0 H GLY A 23 -12.213 -3.757 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.672 -1.847 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.543 -1.408 2.464 1.00 0.00 H new ATOM 297 N ALA A 24 -12.635 -1.864 5.452 1.00 0.00 N ATOM 298 CA ALA A 24 -13.754 -1.672 6.360 1.00 0.00 C ATOM 299 C ALA A 24 -13.812 -0.205 6.790 1.00 0.00 C ATOM 300 O ALA A 24 -13.015 0.236 7.616 1.00 0.00 O ATOM 301 CB ALA A 24 -13.614 -2.623 7.551 1.00 0.00 C ATOM 0 H ALA A 24 -11.730 -1.982 5.908 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.695 -1.907 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.453 -2.479 8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.608 -3.653 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.681 -2.415 8.075 1.00 0.00 H new ATOM 307 N GLY A 25 -14.763 0.512 6.208 1.00 0.00 N ATOM 308 CA GLY A 25 -14.935 1.920 6.520 1.00 0.00 C ATOM 309 C GLY A 25 -14.015 2.789 5.661 1.00 0.00 C ATOM 310 O GLY A 25 -13.586 3.859 6.091 1.00 0.00 O ATOM 0 H GLY A 25 -15.422 0.143 5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.973 2.209 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.722 2.091 7.575 1.00 0.00 H new ATOM 314 N LEU A 26 -13.738 2.296 4.461 1.00 0.00 N ATOM 315 CA LEU A 26 -12.876 3.013 3.538 1.00 0.00 C ATOM 316 C LEU A 26 -13.728 3.928 2.656 1.00 0.00 C ATOM 317 O LEU A 26 -14.725 4.486 3.116 1.00 0.00 O ATOM 318 CB LEU A 26 -12.005 2.036 2.747 1.00 0.00 C ATOM 319 CG LEU A 26 -10.550 2.455 2.530 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.461 3.927 2.117 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.702 2.156 3.768 1.00 0.00 C ATOM 0 H LEU A 26 -14.096 1.409 4.108 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.182 3.651 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.012 1.076 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.466 1.878 1.772 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.142 1.863 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.416 4.201 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.011 4.078 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.892 4.551 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.672 2.464 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.099 2.704 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.730 1.087 3.978 1.00 0.00 H new ATOM 333 N GLN A 27 -13.307 4.054 1.407 1.00 0.00 N ATOM 334 CA GLN A 27 -14.020 4.891 0.458 1.00 0.00 C ATOM 335 C GLN A 27 -15.506 4.529 0.441 1.00 0.00 C ATOM 336 O GLN A 27 -15.932 3.673 -0.334 1.00 0.00 O ATOM 337 CB GLN A 27 -13.412 4.775 -0.941 1.00 0.00 C ATOM 338 CG GLN A 27 -12.108 5.570 -1.039 1.00 0.00 C ATOM 339 CD GLN A 27 -12.250 6.945 -0.381 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.702 7.904 -0.982 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.842 6.983 0.884 1.00 0.00 N ATOM 0 H GLN A 27 -12.481 3.590 1.030 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.923 5.929 0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.222 3.727 -1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.122 5.142 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.303 5.015 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.830 5.691 -2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.473 6.141 1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.898 7.854 1.412 1.00 0.00 H new ATOM 350 N ALA A 28 -16.256 5.197 1.306 1.00 0.00 N ATOM 351 CA ALA A 28 -17.686 4.955 1.400 1.00 0.00 C ATOM 352 C ALA A 28 -18.335 5.229 0.042 1.00 0.00 C ATOM 353 O ALA A 28 -18.822 6.331 -0.207 1.00 0.00 O ATOM 354 CB ALA A 28 -18.277 5.821 2.514 1.00 0.00 C ATOM 0 H ALA A 28 -15.900 5.905 1.948 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.884 3.914 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.350 5.640 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.803 5.568 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.101 6.873 2.289 1.00 0.00 H new ATOM 360 N GLY A 29 -18.322 4.207 -0.801 1.00 0.00 N ATOM 361 CA GLY A 29 -18.904 4.322 -2.127 1.00 0.00 C ATOM 362 C GLY A 29 -18.002 5.145 -3.052 1.00 0.00 C ATOM 363 O GLY A 29 -18.385 5.461 -4.177 1.00 0.00 O ATOM 0 H GLY A 29 -17.917 3.295 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.055 3.329 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.885 4.791 -2.058 1.00 0.00 H new ATOM 367 N THR A 30 -16.821 5.464 -2.543 1.00 0.00 N ATOM 368 CA THR A 30 -15.863 6.242 -3.309 1.00 0.00 C ATOM 369 C THR A 30 -14.959 5.317 -4.126 1.00 0.00 C ATOM 370 O THR A 30 -15.124 4.099 -4.100 1.00 0.00 O ATOM 371 CB THR A 30 -15.095 7.137 -2.335 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.634 6.805 -1.059 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.434 8.619 -2.509 1.00 0.00 C ATOM 0 H THR A 30 -16.506 5.198 -1.610 1.00 0.00 H new ATOM 0 HA THR A 30 -16.363 6.882 -4.036 1.00 0.00 H new ATOM 0 HB THR A 30 -14.024 6.991 -2.476 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.190 7.339 -0.367 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.862 9.210 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.183 8.933 -3.522 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.499 8.771 -2.335 1.00 0.00 H new ATOM 381 N ALA A 31 -14.022 5.933 -4.834 1.00 0.00 N ATOM 382 CA ALA A 31 -13.090 5.181 -5.657 1.00 0.00 C ATOM 383 C ALA A 31 -11.683 5.756 -5.485 1.00 0.00 C ATOM 384 O ALA A 31 -11.435 6.910 -5.830 1.00 0.00 O ATOM 385 CB ALA A 31 -13.559 5.211 -7.113 1.00 0.00 C ATOM 0 H ALA A 31 -13.889 6.944 -4.854 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.058 4.137 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.861 4.647 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.550 4.764 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.600 6.243 -7.461 1.00 0.00 H new ATOM 391 N TYR A 32 -10.800 4.927 -4.952 1.00 0.00 N ATOM 392 CA TYR A 32 -9.425 5.339 -4.730 1.00 0.00 C ATOM 393 C TYR A 32 -8.455 4.471 -5.536 1.00 0.00 C ATOM 394 O TYR A 32 -8.875 3.717 -6.412 1.00 0.00 O ATOM 395 CB TYR A 32 -9.158 5.129 -3.237 1.00 0.00 C ATOM 396 CG TYR A 32 -9.453 6.357 -2.373 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.220 7.386 -2.878 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.951 6.435 -1.090 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.497 8.543 -2.067 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.231 7.590 -0.278 1.00 0.00 C ATOM 401 CZ TYR A 32 -9.988 8.587 -0.806 1.00 0.00 C ATOM 402 OH TYR A 32 -10.251 9.679 -0.038 1.00 0.00 O ATOM 0 H TYR A 32 -11.010 3.970 -4.667 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.280 6.374 -5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.764 4.295 -2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.115 4.844 -3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.613 7.324 -3.882 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.349 5.630 -0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.095 9.357 -2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.848 7.663 0.729 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.825 9.573 0.838 1.00 0.00 H new ATOM 412 N ASP A 33 -7.178 4.608 -5.210 1.00 0.00 N ATOM 413 CA ASP A 33 -6.146 3.845 -5.894 1.00 0.00 C ATOM 414 C ASP A 33 -5.359 3.029 -4.865 1.00 0.00 C ATOM 415 O ASP A 33 -4.708 3.591 -3.986 1.00 0.00 O ATOM 416 CB ASP A 33 -5.165 4.772 -6.613 1.00 0.00 C ATOM 417 CG ASP A 33 -3.779 4.176 -6.863 1.00 0.00 C ATOM 418 OD1 ASP A 33 -2.819 4.975 -6.930 1.00 0.00 O ATOM 419 OD2 ASP A 33 -3.707 2.933 -6.982 1.00 0.00 O ATOM 0 H ASP A 33 -6.834 5.235 -4.482 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.630 3.196 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.598 5.062 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.052 5.683 -6.025 1.00 0.00 H new ATOM 425 N VAL A 34 -5.442 1.715 -5.013 1.00 0.00 N ATOM 426 CA VAL A 34 -4.745 0.814 -4.109 1.00 0.00 C ATOM 427 C VAL A 34 -3.251 0.828 -4.436 1.00 0.00 C ATOM 428 O VAL A 34 -2.868 0.903 -5.604 1.00 0.00 O ATOM 429 CB VAL A 34 -5.362 -0.583 -4.185 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.285 -1.664 -4.071 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.439 -0.767 -3.114 1.00 0.00 C ATOM 0 H VAL A 34 -5.981 1.252 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.855 1.146 -3.077 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.839 -0.686 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.750 -2.648 -4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.570 -1.553 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.767 -1.562 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.861 -1.769 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.997 -0.634 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.228 -0.029 -3.260 1.00 0.00 H new ATOM 441 N GLY A 35 -2.447 0.752 -3.387 1.00 0.00 N ATOM 442 CA GLY A 35 -1.002 0.754 -3.547 1.00 0.00 C ATOM 443 C GLY A 35 -0.299 0.789 -2.190 1.00 0.00 C ATOM 444 O GLY A 35 -0.853 1.294 -1.213 1.00 0.00 O ATOM 0 H GLY A 35 -2.768 0.689 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.693 -0.134 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.700 1.618 -4.139 1.00 0.00 H new ATOM 448 N GLN A 36 0.909 0.247 -2.170 1.00 0.00 N ATOM 449 CA GLN A 36 1.695 0.210 -0.947 1.00 0.00 C ATOM 450 C GLN A 36 2.643 1.408 -0.889 1.00 0.00 C ATOM 451 O GLN A 36 3.689 1.408 -1.535 1.00 0.00 O ATOM 452 CB GLN A 36 2.464 -1.106 -0.830 1.00 0.00 C ATOM 453 CG GLN A 36 1.829 -2.194 -1.700 1.00 0.00 C ATOM 454 CD GLN A 36 2.837 -2.743 -2.714 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.320 -1.828 -3.547 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 3.150 -3.923 -2.737 1.00 0.00 N flip ATOM 0 H GLN A 36 1.364 -0.171 -2.982 1.00 0.00 H new ATOM 0 HA GLN A 36 1.014 0.271 -0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.500 -0.953 -1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.479 -1.431 0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.466 -3.004 -1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.965 -1.787 -2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.740 -4.573 -2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.822 -4.259 -3.427 1.00 0.00 H new ATOM 465 N CYS A 37 2.242 2.401 -0.109 1.00 0.00 N ATOM 466 CA CYS A 37 3.042 3.604 0.043 1.00 0.00 C ATOM 467 C CYS A 37 3.695 3.576 1.426 1.00 0.00 C ATOM 468 O CYS A 37 3.137 3.014 2.368 1.00 0.00 O ATOM 469 CB CYS A 37 2.210 4.870 -0.169 1.00 0.00 C ATOM 470 SG CYS A 37 3.177 6.359 -0.615 1.00 0.00 S ATOM 0 H CYS A 37 1.373 2.397 0.425 1.00 0.00 H new ATOM 0 HA CYS A 37 3.817 3.626 -0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.479 4.680 -0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.651 5.077 0.743 1.00 0.00 H new ATOM 475 N ALA A 38 4.868 4.190 1.506 1.00 0.00 N ATOM 476 CA ALA A 38 5.602 4.242 2.759 1.00 0.00 C ATOM 477 C ALA A 38 6.875 5.067 2.565 1.00 0.00 C ATOM 478 O ALA A 38 7.332 5.253 1.438 1.00 0.00 O ATOM 479 CB ALA A 38 5.895 2.820 3.239 1.00 0.00 C ATOM 0 H ALA A 38 5.327 4.655 0.723 1.00 0.00 H new ATOM 0 HA ALA A 38 5.008 4.730 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.446 2.859 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.957 2.286 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.492 2.299 2.490 1.00 0.00 H new ATOM 485 N TRP A 39 7.410 5.541 3.681 1.00 0.00 N ATOM 486 CA TRP A 39 8.622 6.341 3.647 1.00 0.00 C ATOM 487 C TRP A 39 9.759 5.456 3.134 1.00 0.00 C ATOM 488 O TRP A 39 10.150 4.494 3.794 1.00 0.00 O ATOM 489 CB TRP A 39 8.914 6.950 5.020 1.00 0.00 C ATOM 490 CG TRP A 39 8.705 5.984 6.189 1.00 0.00 C ATOM 491 CD1 TRP A 39 9.488 4.966 6.567 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.602 5.987 7.119 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.975 4.315 7.671 1.00 0.00 N ATOM 494 CE2 TRP A 39 7.792 4.956 8.017 1.00 0.00 C ATOM 495 CE3 TRP A 39 6.483 6.834 7.201 1.00 0.00 C ATOM 496 CZ2 TRP A 39 6.900 4.676 9.061 1.00 0.00 C ATOM 497 CZ3 TRP A 39 5.603 6.540 8.250 1.00 0.00 C ATOM 498 CH2 TRP A 39 5.778 5.507 9.162 1.00 0.00 C ATOM 0 H TRP A 39 7.026 5.386 4.613 1.00 0.00 H new ATOM 0 HA TRP A 39 8.506 7.187 2.970 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.944 7.306 5.036 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.274 7.821 5.163 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.406 4.689 6.070 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.388 3.512 8.145 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.315 7.647 6.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.069 3.862 9.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 4.726 7.161 8.358 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.052 5.346 9.945 1.00 0.00 H new ATOM 509 N VAL A 40 10.259 5.814 1.960 1.00 0.00 N ATOM 510 CA VAL A 40 11.344 5.063 1.349 1.00 0.00 C ATOM 511 C VAL A 40 12.673 5.763 1.645 1.00 0.00 C ATOM 512 O VAL A 40 13.663 5.111 1.969 1.00 0.00 O ATOM 513 CB VAL A 40 11.082 4.888 -0.148 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.761 5.995 -0.956 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.531 3.507 -0.626 1.00 0.00 C ATOM 0 H VAL A 40 9.934 6.613 1.416 1.00 0.00 H new ATOM 0 HA VAL A 40 11.402 4.061 1.775 1.00 0.00 H new ATOM 0 HB VAL A 40 10.007 4.965 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.559 5.847 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.372 6.964 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.837 5.964 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.333 3.409 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.599 3.388 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.982 2.738 -0.083 1.00 0.00 H new ATOM 525 N ASP A 41 12.650 7.082 1.524 1.00 0.00 N ATOM 526 CA ASP A 41 13.839 7.879 1.775 1.00 0.00 C ATOM 527 C ASP A 41 13.867 8.296 3.246 1.00 0.00 C ATOM 528 O ASP A 41 13.181 7.703 4.077 1.00 0.00 O ATOM 529 CB ASP A 41 13.840 9.150 0.922 1.00 0.00 C ATOM 530 CG ASP A 41 15.117 9.382 0.111 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.029 10.138 -0.881 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.151 8.796 0.497 1.00 0.00 O ATOM 0 H ASP A 41 11.826 7.619 1.255 1.00 0.00 H new ATOM 0 HA ASP A 41 14.710 7.275 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.994 9.110 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.681 10.008 1.575 1.00 0.00 H new ATOM 538 N THR A 42 14.668 9.313 3.523 1.00 0.00 N ATOM 539 CA THR A 42 14.795 9.817 4.882 1.00 0.00 C ATOM 540 C THR A 42 13.493 10.485 5.326 1.00 0.00 C ATOM 541 O THR A 42 13.385 11.710 5.316 1.00 0.00 O ATOM 542 CB THR A 42 16.004 10.754 4.927 1.00 0.00 C ATOM 543 OG1 THR A 42 17.123 9.885 4.775 1.00 0.00 O ATOM 544 CG2 THR A 42 16.205 11.384 6.307 1.00 0.00 C ATOM 0 H THR A 42 15.236 9.803 2.831 1.00 0.00 H new ATOM 0 HA THR A 42 14.966 9.007 5.590 1.00 0.00 H new ATOM 0 HB THR A 42 15.881 11.541 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.950 10.411 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.075 12.040 6.284 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.321 11.963 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.362 10.598 7.046 1.00 0.00 H new ATOM 552 N GLY A 43 12.537 9.649 5.707 1.00 0.00 N ATOM 553 CA GLY A 43 11.246 10.142 6.156 1.00 0.00 C ATOM 554 C GLY A 43 10.454 10.742 4.991 1.00 0.00 C ATOM 555 O GLY A 43 9.589 11.591 5.195 1.00 0.00 O ATOM 0 H GLY A 43 12.631 8.633 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.678 9.328 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.389 10.896 6.930 1.00 0.00 H new ATOM 559 N VAL A 44 10.777 10.275 3.794 1.00 0.00 N ATOM 560 CA VAL A 44 10.107 10.752 2.598 1.00 0.00 C ATOM 561 C VAL A 44 9.099 9.702 2.128 1.00 0.00 C ATOM 562 O VAL A 44 9.484 8.634 1.654 1.00 0.00 O ATOM 563 CB VAL A 44 11.139 11.111 1.527 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.456 11.565 0.235 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.113 12.175 2.037 1.00 0.00 C ATOM 0 H VAL A 44 11.495 9.570 3.628 1.00 0.00 H new ATOM 0 HA VAL A 44 9.550 11.664 2.812 1.00 0.00 H new ATOM 0 HB VAL A 44 11.714 10.212 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.213 11.814 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.825 10.762 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.843 12.443 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.835 12.411 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.560 13.076 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.638 11.797 2.914 1.00 0.00 H new ATOM 575 N LEU A 45 7.826 10.039 2.278 1.00 0.00 N ATOM 576 CA LEU A 45 6.761 9.139 1.875 1.00 0.00 C ATOM 577 C LEU A 45 6.905 8.818 0.385 1.00 0.00 C ATOM 578 O LEU A 45 6.556 9.634 -0.466 1.00 0.00 O ATOM 579 CB LEU A 45 5.396 9.722 2.248 1.00 0.00 C ATOM 580 CG LEU A 45 4.939 9.491 3.690 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.851 10.493 4.087 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.491 8.043 3.896 1.00 0.00 C ATOM 0 H LEU A 45 7.509 10.924 2.674 1.00 0.00 H new ATOM 0 HA LEU A 45 6.837 8.195 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.419 10.796 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.647 9.299 1.578 1.00 0.00 H new ATOM 0 HG LEU A 45 5.789 9.661 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.543 10.307 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.242 11.507 4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.992 10.379 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.171 7.905 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.661 7.820 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.322 7.371 3.680 1.00 0.00 H new ATOM 594 N ALA A 46 7.420 7.628 0.118 1.00 0.00 N ATOM 595 CA ALA A 46 7.616 7.188 -1.254 1.00 0.00 C ATOM 596 C ALA A 46 6.696 5.999 -1.540 1.00 0.00 C ATOM 597 O ALA A 46 6.660 5.038 -0.771 1.00 0.00 O ATOM 598 CB ALA A 46 9.091 6.851 -1.478 1.00 0.00 C ATOM 0 H ALA A 46 7.708 6.954 0.827 1.00 0.00 H new ATOM 0 HA ALA A 46 7.355 7.983 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.237 6.521 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.699 7.736 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.390 6.055 -0.796 1.00 0.00 H new ATOM 604 N CYS A 47 5.975 6.101 -2.646 1.00 0.00 N ATOM 605 CA CYS A 47 5.060 5.046 -3.044 1.00 0.00 C ATOM 606 C CYS A 47 5.766 4.155 -4.067 1.00 0.00 C ATOM 607 O CYS A 47 6.703 4.592 -4.734 1.00 0.00 O ATOM 608 CB CYS A 47 3.747 5.613 -3.590 1.00 0.00 C ATOM 609 SG CYS A 47 2.996 6.931 -2.568 1.00 0.00 S ATOM 0 H CYS A 47 6.006 6.899 -3.280 1.00 0.00 H new ATOM 0 HA CYS A 47 4.789 4.450 -2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.926 6.006 -4.591 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.030 4.798 -3.691 1.00 0.00 H new ATOM 614 N ASN A 48 5.291 2.921 -4.158 1.00 0.00 N ATOM 615 CA ASN A 48 5.866 1.965 -5.088 1.00 0.00 C ATOM 616 C ASN A 48 5.219 2.145 -6.463 1.00 0.00 C ATOM 617 O ASN A 48 4.165 2.770 -6.581 1.00 0.00 O ATOM 618 CB ASN A 48 5.609 0.528 -4.630 1.00 0.00 C ATOM 619 CG ASN A 48 5.728 0.409 -3.110 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.515 1.325 -2.553 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 5.139 -0.458 -2.483 1.00 0.00 N flip ATOM 0 H ASN A 48 4.514 2.562 -3.603 1.00 0.00 H new ATOM 0 HA ASN A 48 6.940 2.143 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.614 0.214 -4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.322 -0.143 -5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.550 -1.131 -2.973 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.236 -0.509 -1.469 1.00 0.00 H new ATOM 628 N PRO A 49 5.895 1.574 -7.495 1.00 0.00 N ATOM 629 CA PRO A 49 5.397 1.665 -8.858 1.00 0.00 C ATOM 630 C PRO A 49 4.208 0.726 -9.072 1.00 0.00 C ATOM 631 O PRO A 49 3.546 0.781 -10.107 1.00 0.00 O ATOM 632 CB PRO A 49 6.588 1.321 -9.736 1.00 0.00 C ATOM 633 CG PRO A 49 7.576 0.600 -8.834 1.00 0.00 C ATOM 634 CD PRO A 49 7.146 0.826 -7.395 1.00 0.00 C ATOM 0 HA PRO A 49 5.013 2.656 -9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.288 0.688 -10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.032 2.221 -10.162 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.595 -0.465 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.585 0.979 -8.994 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.001 -0.119 -6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.899 1.386 -6.840 1.00 0.00 H new ATOM 642 N ALA A 50 3.968 -0.111 -8.073 1.00 0.00 N ATOM 643 CA ALA A 50 2.869 -1.060 -8.137 1.00 0.00 C ATOM 644 C ALA A 50 1.770 -0.626 -7.165 1.00 0.00 C ATOM 645 O ALA A 50 0.883 -1.412 -6.837 1.00 0.00 O ATOM 646 CB ALA A 50 3.391 -2.467 -7.838 1.00 0.00 C ATOM 0 H ALA A 50 4.516 -0.152 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 50 2.436 -1.080 -9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.567 -3.179 -7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.148 -2.738 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.831 -2.488 -6.841 1.00 0.00 H new ATOM 652 N ASP A 51 1.863 0.622 -6.735 1.00 0.00 N ATOM 653 CA ASP A 51 0.886 1.169 -5.807 1.00 0.00 C ATOM 654 C ASP A 51 -0.280 1.765 -6.597 1.00 0.00 C ATOM 655 O ASP A 51 -1.107 2.486 -6.040 1.00 0.00 O ATOM 656 CB ASP A 51 1.501 2.284 -4.957 1.00 0.00 C ATOM 657 CG ASP A 51 0.604 3.506 -4.751 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.479 4.288 -5.718 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.065 3.633 -3.630 1.00 0.00 O ATOM 0 H ASP A 51 2.599 1.272 -7.011 1.00 0.00 H new ATOM 0 HA ASP A 51 0.548 0.363 -5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.763 1.875 -3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.430 2.608 -5.426 1.00 0.00 H new ATOM 665 N PHE A 52 -0.312 1.440 -7.881 1.00 0.00 N ATOM 666 CA PHE A 52 -1.365 1.934 -8.752 1.00 0.00 C ATOM 667 C PHE A 52 -2.370 0.829 -9.078 1.00 0.00 C ATOM 668 O PHE A 52 -2.160 0.047 -10.003 1.00 0.00 O ATOM 669 CB PHE A 52 -0.695 2.396 -10.047 1.00 0.00 C ATOM 670 CG PHE A 52 0.686 3.023 -9.845 1.00 0.00 C ATOM 671 CD1 PHE A 52 0.899 3.876 -8.807 1.00 0.00 C ATOM 672 CD2 PHE A 52 1.700 2.726 -10.702 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.180 4.458 -8.620 1.00 0.00 C ATOM 674 CE2 PHE A 52 2.981 3.307 -10.512 1.00 0.00 C ATOM 675 CZ PHE A 52 3.194 4.161 -9.476 1.00 0.00 C ATOM 0 H PHE A 52 0.374 0.841 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.904 2.745 -8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.600 1.543 -10.719 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.343 3.121 -10.541 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.094 4.110 -8.126 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.530 2.049 -11.526 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.349 5.137 -7.797 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.787 3.070 -11.191 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.169 4.604 -9.333 1.00 0.00 H new ATOM 685 N SER A 53 -3.441 0.797 -8.298 1.00 0.00 N ATOM 686 CA SER A 53 -4.480 -0.200 -8.491 1.00 0.00 C ATOM 687 C SER A 53 -5.849 0.400 -8.171 1.00 0.00 C ATOM 688 O SER A 53 -6.374 0.210 -7.074 1.00 0.00 O ATOM 689 CB SER A 53 -4.225 -1.434 -7.625 1.00 0.00 C ATOM 690 OG SER A 53 -5.260 -2.404 -7.761 1.00 0.00 O ATOM 0 H SER A 53 -3.611 1.447 -7.530 1.00 0.00 H new ATOM 0 HA SER A 53 -4.464 -0.512 -9.535 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.270 -1.881 -7.903 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.144 -1.134 -6.580 1.00 0.00 H new ATOM 0 HG SER A 53 -5.060 -3.178 -7.194 1.00 0.00 H new ATOM 696 N SER A 54 -6.390 1.117 -9.145 1.00 0.00 N ATOM 697 CA SER A 54 -7.689 1.747 -8.980 1.00 0.00 C ATOM 698 C SER A 54 -8.676 0.758 -8.359 1.00 0.00 C ATOM 699 O SER A 54 -8.763 -0.391 -8.790 1.00 0.00 O ATOM 700 CB SER A 54 -8.224 2.263 -10.317 1.00 0.00 C ATOM 701 OG SER A 54 -8.471 1.203 -11.238 1.00 0.00 O ATOM 0 H SER A 54 -5.952 1.276 -10.052 1.00 0.00 H new ATOM 0 HA SER A 54 -7.573 2.601 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.146 2.819 -10.148 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.506 2.960 -10.750 1.00 0.00 H new ATOM 0 HG SER A 54 -8.813 1.573 -12.079 1.00 0.00 H new ATOM 707 N VAL A 55 -9.393 1.237 -7.354 1.00 0.00 N ATOM 708 CA VAL A 55 -10.371 0.409 -6.668 1.00 0.00 C ATOM 709 C VAL A 55 -11.486 1.299 -6.115 1.00 0.00 C ATOM 710 O VAL A 55 -11.364 2.521 -6.106 1.00 0.00 O ATOM 711 CB VAL A 55 -9.684 -0.428 -5.589 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.871 -1.566 -6.212 1.00 0.00 C ATOM 713 CG2 VAL A 55 -8.802 0.447 -4.695 1.00 0.00 C ATOM 0 H VAL A 55 -9.316 2.190 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.830 -0.295 -7.362 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.460 -0.872 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.393 -2.146 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.533 -2.213 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.108 -1.150 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.325 -0.173 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.037 0.932 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.415 1.206 -4.210 1.00 0.00 H new ATOM 723 N THR A 56 -12.550 0.646 -5.667 1.00 0.00 N ATOM 724 CA THR A 56 -13.688 1.361 -5.114 1.00 0.00 C ATOM 725 C THR A 56 -14.324 0.555 -3.980 1.00 0.00 C ATOM 726 O THR A 56 -14.324 -0.675 -4.012 1.00 0.00 O ATOM 727 CB THR A 56 -14.656 1.669 -6.258 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.783 3.089 -6.234 1.00 0.00 O ATOM 729 CG2 THR A 56 -16.072 1.166 -5.978 1.00 0.00 C ATOM 0 H THR A 56 -12.647 -0.369 -5.676 1.00 0.00 H new ATOM 0 HA THR A 56 -13.381 2.306 -4.667 1.00 0.00 H new ATOM 0 HB THR A 56 -14.285 1.217 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.268 3.360 -5.427 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.718 1.410 -6.821 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.053 0.085 -5.837 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.456 1.643 -5.076 1.00 0.00 H new ATOM 737 N ALA A 57 -14.850 1.280 -3.004 1.00 0.00 N ATOM 738 CA ALA A 57 -15.489 0.648 -1.863 1.00 0.00 C ATOM 739 C ALA A 57 -17.005 0.838 -1.961 1.00 0.00 C ATOM 740 O ALA A 57 -17.474 1.855 -2.464 1.00 0.00 O ATOM 741 CB ALA A 57 -14.912 1.227 -0.569 1.00 0.00 C ATOM 0 H ALA A 57 -14.847 2.300 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.291 -0.424 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.391 0.753 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.839 1.040 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.094 2.301 -0.538 1.00 0.00 H new ATOM 747 N ASP A 58 -17.725 -0.162 -1.474 1.00 0.00 N ATOM 748 CA ASP A 58 -19.179 -0.118 -1.502 1.00 0.00 C ATOM 749 C ASP A 58 -19.667 0.997 -0.576 1.00 0.00 C ATOM 750 O ASP A 58 -18.950 1.417 0.330 1.00 0.00 O ATOM 751 CB ASP A 58 -19.779 -1.439 -1.012 1.00 0.00 C ATOM 752 CG ASP A 58 -18.906 -2.673 -1.247 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.204 -3.708 -0.614 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.962 -2.554 -2.057 1.00 0.00 O ATOM 0 H ASP A 58 -17.331 -1.006 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.493 0.060 -2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.982 -1.354 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.738 -1.591 -1.508 1.00 0.00 H new ATOM 760 N ALA A 59 -20.887 1.444 -0.836 1.00 0.00 N ATOM 761 CA ALA A 59 -21.482 2.504 -0.036 1.00 0.00 C ATOM 762 C ALA A 59 -21.178 2.253 1.442 1.00 0.00 C ATOM 763 O ALA A 59 -21.108 3.193 2.233 1.00 0.00 O ATOM 764 CB ALA A 59 -22.985 2.573 -0.319 1.00 0.00 C ATOM 0 H ALA A 59 -21.480 1.093 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.055 3.471 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.432 3.367 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.147 2.781 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.448 1.620 -0.062 1.00 0.00 H new ATOM 770 N ASN A 60 -21.008 0.981 1.771 1.00 0.00 N ATOM 771 CA ASN A 60 -20.713 0.595 3.141 1.00 0.00 C ATOM 772 C ASN A 60 -19.197 0.612 3.356 1.00 0.00 C ATOM 773 O ASN A 60 -18.667 -0.195 4.117 1.00 0.00 O ATOM 774 CB ASN A 60 -21.216 -0.819 3.434 1.00 0.00 C ATOM 775 CG ASN A 60 -21.830 -0.902 4.834 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.089 0.096 5.486 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.049 -2.144 5.255 1.00 0.00 N ATOM 0 H ASN A 60 -21.069 0.204 1.113 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.212 1.300 3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.958 -1.107 2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.391 -1.527 3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.458 -2.306 6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.808 -2.935 4.658 1.00 0.00 H new ATOM 784 N GLY A 61 -18.546 1.541 2.671 1.00 0.00 N ATOM 785 CA GLY A 61 -17.102 1.672 2.778 1.00 0.00 C ATOM 786 C GLY A 61 -16.420 0.305 2.714 1.00 0.00 C ATOM 787 O GLY A 61 -15.470 0.046 3.451 1.00 0.00 O ATOM 0 H GLY A 61 -18.990 2.209 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.730 2.306 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.847 2.166 3.716 1.00 0.00 H new ATOM 791 N SER A 62 -16.932 -0.535 1.827 1.00 0.00 N ATOM 792 CA SER A 62 -16.383 -1.871 1.657 1.00 0.00 C ATOM 793 C SER A 62 -15.480 -1.911 0.425 1.00 0.00 C ATOM 794 O SER A 62 -15.959 -2.080 -0.696 1.00 0.00 O ATOM 795 CB SER A 62 -17.497 -2.913 1.535 1.00 0.00 C ATOM 796 OG SER A 62 -18.791 -2.328 1.666 1.00 0.00 O ATOM 0 H SER A 62 -17.721 -0.317 1.218 1.00 0.00 H new ATOM 0 HA SER A 62 -15.792 -2.114 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.421 -3.414 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.365 -3.677 2.301 1.00 0.00 H new ATOM 0 HG SER A 62 -19.474 -3.027 1.597 1.00 0.00 H new ATOM 802 N ALA A 63 -14.187 -1.758 0.670 1.00 0.00 N ATOM 803 CA ALA A 63 -13.212 -1.777 -0.406 1.00 0.00 C ATOM 804 C ALA A 63 -12.638 -3.187 -0.545 1.00 0.00 C ATOM 805 O ALA A 63 -11.772 -3.590 0.230 1.00 0.00 O ATOM 806 CB ALA A 63 -12.128 -0.731 -0.132 1.00 0.00 C ATOM 0 H ALA A 63 -13.792 -1.620 1.600 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.683 -1.518 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.396 -0.745 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.583 0.258 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.632 -0.960 0.811 1.00 0.00 H new ATOM 812 N SER A 64 -13.143 -3.902 -1.540 1.00 0.00 N ATOM 813 CA SER A 64 -12.692 -5.260 -1.791 1.00 0.00 C ATOM 814 C SER A 64 -11.684 -5.272 -2.943 1.00 0.00 C ATOM 815 O SER A 64 -12.048 -5.524 -4.091 1.00 0.00 O ATOM 816 CB SER A 64 -13.871 -6.182 -2.108 1.00 0.00 C ATOM 817 OG SER A 64 -14.927 -6.043 -1.163 1.00 0.00 O ATOM 0 H SER A 64 -13.861 -3.566 -2.182 1.00 0.00 H new ATOM 0 HA SER A 64 -12.207 -5.632 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.247 -5.959 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.529 -7.217 -2.120 1.00 0.00 H new ATOM 0 HG SER A 64 -15.661 -6.647 -1.402 1.00 0.00 H new ATOM 823 N THR A 65 -10.434 -4.995 -2.595 1.00 0.00 N ATOM 824 CA THR A 65 -9.370 -4.971 -3.584 1.00 0.00 C ATOM 825 C THR A 65 -8.476 -6.204 -3.434 1.00 0.00 C ATOM 826 O THR A 65 -8.554 -6.916 -2.435 1.00 0.00 O ATOM 827 CB THR A 65 -8.615 -3.650 -3.435 1.00 0.00 C ATOM 828 OG1 THR A 65 -7.483 -3.799 -4.286 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.015 -3.472 -2.040 1.00 0.00 C ATOM 0 H THR A 65 -10.136 -4.786 -1.642 1.00 0.00 H new ATOM 0 HA THR A 65 -9.770 -5.019 -4.597 1.00 0.00 H new ATOM 0 HB THR A 65 -9.290 -2.821 -3.646 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.672 -3.875 -3.741 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.490 -2.518 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.812 -3.488 -1.296 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.315 -4.283 -1.839 1.00 0.00 H new ATOM 837 N SER A 66 -7.644 -6.418 -4.444 1.00 0.00 N ATOM 838 CA SER A 66 -6.734 -7.549 -4.437 1.00 0.00 C ATOM 839 C SER A 66 -5.432 -7.180 -5.151 1.00 0.00 C ATOM 840 O SER A 66 -5.453 -6.510 -6.181 1.00 0.00 O ATOM 841 CB SER A 66 -7.373 -8.774 -5.097 1.00 0.00 C ATOM 842 OG SER A 66 -7.660 -8.548 -6.474 1.00 0.00 O ATOM 0 H SER A 66 -7.582 -5.826 -5.272 1.00 0.00 H new ATOM 0 HA SER A 66 -6.512 -7.802 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.703 -9.628 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.293 -9.030 -4.572 1.00 0.00 H new ATOM 0 HG SER A 66 -8.065 -9.353 -6.860 1.00 0.00 H new ATOM 848 N LEU A 67 -4.330 -7.634 -4.573 1.00 0.00 N ATOM 849 CA LEU A 67 -3.022 -7.359 -5.142 1.00 0.00 C ATOM 850 C LEU A 67 -1.979 -8.259 -4.472 1.00 0.00 C ATOM 851 O LEU A 67 -2.303 -9.016 -3.560 1.00 0.00 O ATOM 852 CB LEU A 67 -2.696 -5.868 -5.046 1.00 0.00 C ATOM 853 CG LEU A 67 -1.921 -5.272 -6.223 1.00 0.00 C ATOM 854 CD1 LEU A 67 -2.602 -5.602 -7.553 1.00 0.00 C ATOM 855 CD2 LEU A 67 -1.718 -3.767 -6.040 1.00 0.00 C ATOM 0 H LEU A 67 -4.316 -8.190 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.014 -7.595 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.631 -5.319 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.120 -5.700 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.932 -5.729 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.030 -5.166 -8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.650 -6.684 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.612 -5.191 -7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.165 -3.368 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.688 -3.274 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.156 -3.584 -5.124 1.00 0.00 H new ATOM 867 N THR A 68 -0.749 -8.145 -4.952 1.00 0.00 N ATOM 868 CA THR A 68 0.342 -8.937 -4.411 1.00 0.00 C ATOM 869 C THR A 68 1.279 -8.060 -3.581 1.00 0.00 C ATOM 870 O THR A 68 1.483 -6.890 -3.899 1.00 0.00 O ATOM 871 CB THR A 68 1.038 -9.641 -5.579 1.00 0.00 C ATOM 872 OG1 THR A 68 1.954 -10.533 -4.949 1.00 0.00 O ATOM 873 CG2 THR A 68 1.933 -8.691 -6.380 1.00 0.00 C ATOM 0 H THR A 68 -0.484 -7.516 -5.710 1.00 0.00 H new ATOM 0 HA THR A 68 -0.025 -9.701 -3.725 1.00 0.00 H new ATOM 0 HB THR A 68 0.290 -10.081 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.447 -11.032 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.404 -9.237 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.330 -7.879 -6.787 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.703 -8.279 -5.727 1.00 0.00 H new ATOM 881 N VAL A 69 1.824 -8.658 -2.532 1.00 0.00 N ATOM 882 CA VAL A 69 2.736 -7.945 -1.654 1.00 0.00 C ATOM 883 C VAL A 69 4.165 -8.094 -2.179 1.00 0.00 C ATOM 884 O VAL A 69 4.903 -8.975 -1.740 1.00 0.00 O ATOM 885 CB VAL A 69 2.573 -8.441 -0.216 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.958 -9.918 -0.098 1.00 0.00 C ATOM 887 CG2 VAL A 69 3.383 -7.583 0.757 1.00 0.00 C ATOM 0 H VAL A 69 1.651 -9.629 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 69 2.503 -6.880 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 69 1.521 -8.347 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.833 -10.245 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.317 -10.514 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.998 -10.048 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.249 -7.958 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.439 -7.629 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.040 -6.550 0.704 1.00 0.00 H new ATOM 897 N ARG A 70 4.512 -7.219 -3.111 1.00 0.00 N ATOM 898 CA ARG A 70 5.841 -7.243 -3.700 1.00 0.00 C ATOM 899 C ARG A 70 6.804 -6.390 -2.874 1.00 0.00 C ATOM 900 O ARG A 70 7.121 -5.263 -3.248 1.00 0.00 O ATOM 901 CB ARG A 70 5.814 -6.719 -5.139 1.00 0.00 C ATOM 902 CG ARG A 70 4.863 -7.547 -6.005 1.00 0.00 C ATOM 903 CD ARG A 70 5.319 -7.554 -7.466 1.00 0.00 C ATOM 904 NE ARG A 70 5.038 -8.871 -8.078 1.00 0.00 N ATOM 905 CZ ARG A 70 5.345 -9.193 -9.342 1.00 0.00 C ATOM 906 NH1 ARG A 70 5.947 -8.296 -10.136 1.00 0.00 N ATOM 907 NH2 ARG A 70 5.053 -10.415 -9.813 1.00 0.00 N ATOM 0 H ARG A 70 3.897 -6.490 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 70 6.182 -8.278 -3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.501 -5.675 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.818 -6.752 -5.561 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.819 -8.569 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.855 -7.139 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.804 -6.769 -8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.386 -7.337 -7.524 1.00 0.00 H new ATOM 0 HE ARG A 70 4.582 -9.578 -7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.172 -7.368 -9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.180 -8.542 -11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.597 -11.099 -9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.287 -10.660 -10.775 1.00 0.00 H new ATOM 921 N ARG A 71 7.243 -6.961 -1.761 1.00 0.00 N ATOM 922 CA ARG A 71 8.164 -6.268 -0.877 1.00 0.00 C ATOM 923 C ARG A 71 9.213 -5.509 -1.693 1.00 0.00 C ATOM 924 O ARG A 71 9.580 -4.387 -1.346 1.00 0.00 O ATOM 925 CB ARG A 71 8.871 -7.250 0.061 1.00 0.00 C ATOM 926 CG ARG A 71 9.793 -6.510 1.033 1.00 0.00 C ATOM 927 CD ARG A 71 11.068 -7.313 1.296 1.00 0.00 C ATOM 928 NE ARG A 71 10.733 -8.740 1.506 1.00 0.00 N ATOM 929 CZ ARG A 71 11.646 -9.711 1.655 1.00 0.00 C ATOM 930 NH1 ARG A 71 12.952 -9.414 1.621 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.252 -10.977 1.841 1.00 0.00 N ATOM 0 H ARG A 71 6.977 -7.896 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 71 7.584 -5.565 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.131 -7.822 0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.451 -7.964 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.052 -5.534 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.270 -6.333 1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.752 -7.212 0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.582 -6.919 2.173 1.00 0.00 H new ATOM 0 HE ARG A 71 9.747 -9.000 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.252 -8.449 1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.646 -10.153 1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.258 -11.203 1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.946 -11.716 1.954 1.00 0.00 H new ATOM 945 N SER A 72 9.665 -6.150 -2.761 1.00 0.00 N ATOM 946 CA SER A 72 10.663 -5.549 -3.628 1.00 0.00 C ATOM 947 C SER A 72 9.987 -4.622 -4.640 1.00 0.00 C ATOM 948 O SER A 72 9.219 -5.074 -5.486 1.00 0.00 O ATOM 949 CB SER A 72 11.480 -6.620 -4.353 1.00 0.00 C ATOM 950 OG SER A 72 10.916 -6.957 -5.617 1.00 0.00 O ATOM 0 H SER A 72 9.358 -7.080 -3.045 1.00 0.00 H new ATOM 0 HA SER A 72 11.346 -4.966 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.500 -6.264 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.538 -7.514 -3.732 1.00 0.00 H new ATOM 0 HG SER A 72 9.998 -6.617 -5.667 1.00 0.00 H new ATOM 956 N PHE A 73 10.298 -3.338 -4.519 1.00 0.00 N ATOM 957 CA PHE A 73 9.730 -2.344 -5.412 1.00 0.00 C ATOM 958 C PHE A 73 10.583 -1.075 -5.435 1.00 0.00 C ATOM 959 O PHE A 73 11.307 -0.793 -4.481 1.00 0.00 O ATOM 960 CB PHE A 73 8.339 -2.000 -4.872 1.00 0.00 C ATOM 961 CG PHE A 73 8.346 -1.457 -3.441 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.882 -0.235 -3.178 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.815 -2.199 -2.431 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.887 0.266 -1.849 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.820 -1.696 -1.104 1.00 0.00 C ATOM 966 CZ PHE A 73 8.356 -0.475 -0.840 1.00 0.00 C ATOM 0 H PHE A 73 10.936 -2.965 -3.816 1.00 0.00 H new ATOM 0 HA PHE A 73 9.687 -2.738 -6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.878 -1.262 -5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.715 -2.893 -4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.304 0.354 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.390 -3.170 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.313 1.236 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.397 -2.284 -0.303 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.360 -0.094 0.170 1.00 0.00 H new ATOM 976 N GLU A 74 10.473 -0.344 -6.536 1.00 0.00 N ATOM 977 CA GLU A 74 11.226 0.886 -6.694 1.00 0.00 C ATOM 978 C GLU A 74 10.458 2.062 -6.087 1.00 0.00 C ATOM 979 O GLU A 74 9.626 2.676 -6.756 1.00 0.00 O ATOM 980 CB GLU A 74 11.551 1.145 -8.167 1.00 0.00 C ATOM 981 CG GLU A 74 12.553 2.292 -8.316 1.00 0.00 C ATOM 982 CD GLU A 74 13.990 1.785 -8.183 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.859 2.352 -8.877 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.188 0.838 -7.390 1.00 0.00 O ATOM 0 H GLU A 74 9.873 -0.582 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 74 12.171 0.781 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.959 0.240 -8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.636 1.385 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.421 2.771 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.359 3.050 -7.557 1.00 0.00 H new ATOM 992 N GLY A 75 10.763 2.342 -4.829 1.00 0.00 N ATOM 993 CA GLY A 75 10.112 3.432 -4.125 1.00 0.00 C ATOM 994 C GLY A 75 10.152 4.720 -4.951 1.00 0.00 C ATOM 995 O GLY A 75 11.030 4.892 -5.797 1.00 0.00 O ATOM 0 H GLY A 75 11.454 1.832 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.077 3.165 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.604 3.595 -3.166 1.00 0.00 H new ATOM 999 N PHE A 76 9.193 5.592 -4.679 1.00 0.00 N ATOM 1000 CA PHE A 76 9.108 6.858 -5.385 1.00 0.00 C ATOM 1001 C PHE A 76 8.643 7.977 -4.450 1.00 0.00 C ATOM 1002 O PHE A 76 7.473 8.030 -4.076 1.00 0.00 O ATOM 1003 CB PHE A 76 8.076 6.679 -6.501 1.00 0.00 C ATOM 1004 CG PHE A 76 8.566 7.132 -7.879 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.895 8.435 -8.088 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.673 6.231 -8.893 1.00 0.00 C ATOM 1007 CE1 PHE A 76 9.348 8.854 -9.368 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.126 6.651 -10.171 1.00 0.00 C ATOM 1009 CZ PHE A 76 9.454 7.954 -10.382 1.00 0.00 C ATOM 0 H PHE A 76 8.467 5.446 -3.978 1.00 0.00 H new ATOM 0 HA PHE A 76 10.087 7.132 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.792 5.628 -6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.177 7.239 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.812 9.150 -7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.413 5.196 -8.725 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.608 9.889 -9.536 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.210 5.936 -10.976 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.798 8.274 -11.354 1.00 0.00 H new ATOM 1019 N LEU A 77 9.582 8.845 -4.105 1.00 0.00 N ATOM 1020 CA LEU A 77 9.284 9.959 -3.224 1.00 0.00 C ATOM 1021 C LEU A 77 8.021 10.670 -3.716 1.00 0.00 C ATOM 1022 O LEU A 77 7.915 11.010 -4.893 1.00 0.00 O ATOM 1023 CB LEU A 77 10.497 10.882 -3.096 1.00 0.00 C ATOM 1024 CG LEU A 77 11.858 10.190 -2.992 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.924 11.151 -2.463 1.00 0.00 C ATOM 1026 CD2 LEU A 77 11.764 8.919 -2.146 1.00 0.00 C ATOM 0 H LEU A 77 10.551 8.799 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 77 9.077 9.601 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.515 11.548 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.361 11.508 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 77 12.164 9.889 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.881 10.633 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.016 12.001 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.636 11.505 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.745 8.447 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.425 9.174 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.056 8.229 -2.604 1.00 0.00 H new ATOM 1038 N PHE A 78 7.097 10.873 -2.789 1.00 0.00 N ATOM 1039 CA PHE A 78 5.844 11.536 -3.114 1.00 0.00 C ATOM 1040 C PHE A 78 6.098 12.891 -3.778 1.00 0.00 C ATOM 1041 O PHE A 78 5.292 13.353 -4.583 1.00 0.00 O ATOM 1042 CB PHE A 78 5.100 11.758 -1.797 1.00 0.00 C ATOM 1043 CG PHE A 78 4.088 12.904 -1.838 1.00 0.00 C ATOM 1044 CD1 PHE A 78 2.946 12.778 -2.567 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.330 14.051 -1.148 1.00 0.00 C ATOM 1046 CE1 PHE A 78 2.007 13.842 -2.606 1.00 0.00 C ATOM 1047 CE2 PHE A 78 3.391 15.115 -1.188 1.00 0.00 C ATOM 1048 CZ PHE A 78 2.249 14.990 -1.915 1.00 0.00 C ATOM 0 H PHE A 78 7.190 10.591 -1.813 1.00 0.00 H new ATOM 0 HA PHE A 78 5.268 10.924 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.581 10.839 -1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.827 11.958 -1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.754 11.868 -3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.236 14.152 -0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.100 13.741 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.584 16.025 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.535 15.800 -1.944 1.00 0.00 H new ATOM 1058 N ASP A 79 7.223 13.490 -3.415 1.00 0.00 N ATOM 1059 CA ASP A 79 7.593 14.782 -3.965 1.00 0.00 C ATOM 1060 C ASP A 79 7.615 14.696 -5.492 1.00 0.00 C ATOM 1061 O ASP A 79 7.008 15.521 -6.173 1.00 0.00 O ATOM 1062 CB ASP A 79 8.989 15.201 -3.496 1.00 0.00 C ATOM 1063 CG ASP A 79 9.191 16.709 -3.332 1.00 0.00 C ATOM 1064 OD1 ASP A 79 8.182 17.389 -3.049 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.350 17.147 -3.495 1.00 0.00 O ATOM 0 H ASP A 79 7.890 13.104 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 79 6.862 15.515 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.196 14.716 -2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.723 14.827 -4.210 1.00 0.00 H new ATOM 1071 N GLY A 80 8.319 13.688 -5.986 1.00 0.00 N ATOM 1072 CA GLY A 80 8.426 13.483 -7.421 1.00 0.00 C ATOM 1073 C GLY A 80 9.685 12.686 -7.767 1.00 0.00 C ATOM 1074 O GLY A 80 9.737 12.018 -8.799 1.00 0.00 O ATOM 0 H GLY A 80 8.821 13.005 -5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.545 12.954 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.450 14.447 -7.929 1.00 0.00 H new ATOM 1078 N THR A 81 10.670 12.784 -6.886 1.00 0.00 N ATOM 1079 CA THR A 81 11.926 12.081 -7.086 1.00 0.00 C ATOM 1080 C THR A 81 11.759 10.593 -6.775 1.00 0.00 C ATOM 1081 O THR A 81 11.061 10.227 -5.831 1.00 0.00 O ATOM 1082 CB THR A 81 12.992 12.764 -6.229 1.00 0.00 C ATOM 1083 OG1 THR A 81 12.753 14.158 -6.424 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.407 12.552 -6.773 1.00 0.00 C ATOM 0 H THR A 81 10.624 13.340 -6.032 1.00 0.00 H new ATOM 0 HA THR A 81 12.245 12.130 -8.127 1.00 0.00 H new ATOM 0 HB THR A 81 12.934 12.385 -5.209 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.400 14.677 -5.902 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.125 13.058 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.631 11.486 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.474 12.962 -7.781 1.00 0.00 H new ATOM 1092 N ARG A 82 12.413 9.774 -7.586 1.00 0.00 N ATOM 1093 CA ARG A 82 12.347 8.333 -7.409 1.00 0.00 C ATOM 1094 C ARG A 82 13.520 7.848 -6.556 1.00 0.00 C ATOM 1095 O ARG A 82 14.646 8.313 -6.723 1.00 0.00 O ATOM 1096 CB ARG A 82 12.372 7.611 -8.757 1.00 0.00 C ATOM 1097 CG ARG A 82 12.170 6.105 -8.577 1.00 0.00 C ATOM 1098 CD ARG A 82 12.995 5.315 -9.593 1.00 0.00 C ATOM 1099 NE ARG A 82 12.131 4.871 -10.710 1.00 0.00 N ATOM 1100 CZ ARG A 82 11.830 5.625 -11.775 1.00 0.00 C ATOM 1101 NH1 ARG A 82 12.324 6.867 -11.877 1.00 0.00 N ATOM 1102 NH2 ARG A 82 11.037 5.140 -12.740 1.00 0.00 N ATOM 0 H ARG A 82 12.992 10.081 -8.368 1.00 0.00 H new ATOM 0 HA ARG A 82 11.408 8.104 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.590 8.012 -9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 82 13.323 7.797 -9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.457 5.815 -7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.114 5.860 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.807 5.934 -9.974 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.452 4.451 -9.110 1.00 0.00 H new ATOM 0 HE ARG A 82 11.740 3.930 -10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.929 7.237 -11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.095 7.442 -12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.661 4.195 -12.664 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.809 5.716 -13.550 1.00 0.00 H new ATOM 1116 N TRP A 83 13.215 6.922 -5.659 1.00 0.00 N ATOM 1117 CA TRP A 83 14.231 6.369 -4.779 1.00 0.00 C ATOM 1118 C TRP A 83 14.572 4.963 -5.274 1.00 0.00 C ATOM 1119 O TRP A 83 15.494 4.788 -6.071 1.00 0.00 O ATOM 1120 CB TRP A 83 13.766 6.393 -3.322 1.00 0.00 C ATOM 1121 CG TRP A 83 14.827 5.927 -2.323 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.790 4.854 -1.519 1.00 0.00 C ATOM 1123 CD2 TRP A 83 16.090 6.568 -2.050 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.934 4.759 -0.752 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.750 5.832 -1.086 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.660 7.730 -2.601 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 18.011 6.177 -0.588 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.921 8.062 -2.093 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.597 7.331 -1.123 1.00 0.00 C ATOM 0 H TRP A 83 12.279 6.541 -5.522 1.00 0.00 H new ATOM 0 HA TRP A 83 15.136 6.976 -4.806 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.461 7.407 -3.065 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.884 5.760 -3.222 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.969 4.153 -1.477 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.142 4.034 -0.066 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.163 8.320 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.506 5.585 0.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.402 8.947 -2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.571 7.652 -0.783 1.00 0.00 H new ATOM 1140 N GLY A 84 13.811 3.997 -4.786 1.00 0.00 N ATOM 1141 CA GLY A 84 14.020 2.611 -5.169 1.00 0.00 C ATOM 1142 C GLY A 84 13.850 1.677 -3.969 1.00 0.00 C ATOM 1143 O GLY A 84 12.779 1.102 -3.772 1.00 0.00 O ATOM 0 H GLY A 84 13.047 4.146 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.312 2.336 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.020 2.493 -5.587 1.00 0.00 H new ATOM 1147 N THR A 85 14.920 1.557 -3.197 1.00 0.00 N ATOM 1148 CA THR A 85 14.902 0.702 -2.021 1.00 0.00 C ATOM 1149 C THR A 85 14.798 -0.767 -2.432 1.00 0.00 C ATOM 1150 O THR A 85 15.656 -1.576 -2.077 1.00 0.00 O ATOM 1151 CB THR A 85 13.756 1.163 -1.119 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.313 2.242 -0.374 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.392 0.124 -0.057 1.00 0.00 C ATOM 0 H THR A 85 15.805 2.037 -3.362 1.00 0.00 H new ATOM 0 HA THR A 85 15.831 0.784 -1.458 1.00 0.00 H new ATOM 0 HB THR A 85 12.879 1.380 -1.729 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.902 2.769 -0.953 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.573 0.501 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.084 -0.801 -0.544 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.259 -0.070 0.575 1.00 0.00 H new ATOM 1161 N VAL A 86 13.743 -1.070 -3.173 1.00 0.00 N ATOM 1162 CA VAL A 86 13.516 -2.428 -3.634 1.00 0.00 C ATOM 1163 C VAL A 86 13.079 -3.298 -2.454 1.00 0.00 C ATOM 1164 O VAL A 86 11.933 -3.220 -2.012 1.00 0.00 O ATOM 1165 CB VAL A 86 14.770 -2.958 -4.334 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.556 -4.390 -4.832 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.188 -2.038 -5.481 1.00 0.00 C ATOM 0 H VAL A 86 13.035 -0.397 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 86 12.712 -2.452 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 86 15.579 -2.973 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.462 -4.743 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.327 -5.039 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.727 -4.409 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.081 -2.438 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.381 -1.976 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.401 -1.043 -5.090 1.00 0.00 H new ATOM 1177 N ASP A 87 14.013 -4.107 -1.976 1.00 0.00 N ATOM 1178 CA ASP A 87 13.737 -4.989 -0.856 1.00 0.00 C ATOM 1179 C ASP A 87 13.190 -4.166 0.312 1.00 0.00 C ATOM 1180 O ASP A 87 13.953 -3.693 1.154 1.00 0.00 O ATOM 1181 CB ASP A 87 15.010 -5.693 -0.384 1.00 0.00 C ATOM 1182 CG ASP A 87 14.878 -7.205 -0.189 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.008 -7.791 -0.866 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.651 -7.741 0.636 1.00 0.00 O ATOM 0 H ASP A 87 14.962 -4.170 -2.344 1.00 0.00 H new ATOM 0 HA ASP A 87 13.013 -5.735 -1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.802 -5.503 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.326 -5.246 0.559 1.00 0.00 H new ATOM 1190 N CYS A 88 11.873 -4.023 0.330 1.00 0.00 N ATOM 1191 CA CYS A 88 11.217 -3.267 1.381 1.00 0.00 C ATOM 1192 C CYS A 88 11.221 -4.111 2.655 1.00 0.00 C ATOM 1193 O CYS A 88 10.164 -4.429 3.200 1.00 0.00 O ATOM 1194 CB CYS A 88 9.799 -2.851 0.979 1.00 0.00 C ATOM 1195 SG CYS A 88 8.884 -1.906 2.252 1.00 0.00 S ATOM 0 H CYS A 88 11.243 -4.419 -0.368 1.00 0.00 H new ATOM 0 HA CYS A 88 11.762 -2.340 1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.856 -2.250 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.229 -3.747 0.733 1.00 0.00 H new ATOM 1200 N THR A 89 12.424 -4.455 3.096 1.00 0.00 N ATOM 1201 CA THR A 89 12.580 -5.258 4.296 1.00 0.00 C ATOM 1202 C THR A 89 12.950 -4.369 5.487 1.00 0.00 C ATOM 1203 O THR A 89 12.687 -4.724 6.636 1.00 0.00 O ATOM 1204 CB THR A 89 13.617 -6.345 4.005 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.566 -7.187 5.156 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.048 -5.805 4.001 1.00 0.00 C ATOM 0 H THR A 89 13.299 -4.191 2.643 1.00 0.00 H new ATOM 0 HA THR A 89 11.645 -5.745 4.571 1.00 0.00 H new ATOM 0 HB THR A 89 13.401 -6.804 3.040 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.207 -7.921 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.743 -6.618 3.790 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.145 -5.036 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.278 -5.376 4.976 1.00 0.00 H new ATOM 1214 N THR A 90 13.551 -3.232 5.171 1.00 0.00 N ATOM 1215 CA THR A 90 13.958 -2.291 6.201 1.00 0.00 C ATOM 1216 C THR A 90 12.824 -1.310 6.507 1.00 0.00 C ATOM 1217 O THR A 90 12.502 -1.069 7.669 1.00 0.00 O ATOM 1218 CB THR A 90 15.244 -1.607 5.734 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.259 -2.580 5.967 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.643 -0.433 6.631 1.00 0.00 C ATOM 0 H THR A 90 13.766 -2.941 4.217 1.00 0.00 H new ATOM 0 HA THR A 90 14.166 -2.800 7.142 1.00 0.00 H new ATOM 0 HB THR A 90 15.116 -1.255 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.127 -2.220 5.690 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.562 0.016 6.255 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.848 0.312 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.804 -0.790 7.648 1.00 0.00 H new ATOM 1228 N ALA A 91 12.250 -0.771 5.440 1.00 0.00 N ATOM 1229 CA ALA A 91 11.159 0.179 5.579 1.00 0.00 C ATOM 1230 C ALA A 91 9.827 -0.575 5.571 1.00 0.00 C ATOM 1231 O ALA A 91 9.695 -1.600 4.903 1.00 0.00 O ATOM 1232 CB ALA A 91 11.244 1.222 4.464 1.00 0.00 C ATOM 0 H ALA A 91 12.520 -0.974 4.477 1.00 0.00 H new ATOM 0 HA ALA A 91 11.232 0.710 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.425 1.934 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.195 1.750 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.172 0.726 3.496 1.00 0.00 H new ATOM 1238 N ALA A 92 8.876 -0.041 6.321 1.00 0.00 N ATOM 1239 CA ALA A 92 7.559 -0.651 6.409 1.00 0.00 C ATOM 1240 C ALA A 92 6.676 -0.110 5.283 1.00 0.00 C ATOM 1241 O ALA A 92 6.407 1.088 5.222 1.00 0.00 O ATOM 1242 CB ALA A 92 6.966 -0.389 7.794 1.00 0.00 C ATOM 0 H ALA A 92 8.990 0.808 6.874 1.00 0.00 H new ATOM 0 HA ALA A 92 7.627 -1.732 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.979 -0.846 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.616 -0.819 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.879 0.686 7.955 1.00 0.00 H new ATOM 1248 N CYS A 93 6.248 -1.021 4.420 1.00 0.00 N ATOM 1249 CA CYS A 93 5.401 -0.651 3.300 1.00 0.00 C ATOM 1250 C CYS A 93 3.942 -0.797 3.734 1.00 0.00 C ATOM 1251 O CYS A 93 3.521 -1.872 4.158 1.00 0.00 O ATOM 1252 CB CYS A 93 5.714 -1.484 2.055 1.00 0.00 C ATOM 1253 SG CYS A 93 7.082 -2.682 2.255 1.00 0.00 S ATOM 0 H CYS A 93 6.473 -2.014 4.475 1.00 0.00 H new ATOM 0 HA CYS A 93 5.594 0.385 3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.815 -2.027 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.959 -0.808 1.235 1.00 0.00 H new ATOM 1258 N GLN A 94 3.209 0.301 3.613 1.00 0.00 N ATOM 1259 CA GLN A 94 1.806 0.308 3.986 1.00 0.00 C ATOM 1260 C GLN A 94 0.926 0.114 2.750 1.00 0.00 C ATOM 1261 O GLN A 94 0.911 0.958 1.854 1.00 0.00 O ATOM 1262 CB GLN A 94 1.441 1.599 4.722 1.00 0.00 C ATOM 1263 CG GLN A 94 2.167 1.690 6.065 1.00 0.00 C ATOM 1264 CD GLN A 94 2.689 3.106 6.313 1.00 0.00 C ATOM 1265 OE1 GLN A 94 3.036 3.836 5.401 1.00 0.00 O ATOM 1266 NE2 GLN A 94 2.721 3.453 7.596 1.00 0.00 N ATOM 0 H GLN A 94 3.561 1.191 3.262 1.00 0.00 H new ATOM 0 HA GLN A 94 1.628 -0.523 4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.701 2.459 4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.364 1.637 4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.489 1.403 6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.998 0.985 6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.416 2.792 8.311 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.051 4.380 7.866 1.00 0.00 H new ATOM 1275 N VAL A 95 0.213 -1.002 2.739 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.667 -1.318 1.628 1.00 0.00 C ATOM 1277 C VAL A 95 -2.043 -0.699 1.880 1.00 0.00 C ATOM 1278 O VAL A 95 -2.807 -1.190 2.710 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.723 -2.832 1.417 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.455 -3.179 0.118 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.680 -3.440 1.435 1.00 0.00 C ATOM 0 H VAL A 95 0.227 -1.700 3.483 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.281 -0.889 0.703 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.286 -3.265 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.480 -4.261 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.474 -2.795 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.932 -2.728 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.612 -4.517 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.278 -2.998 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.151 -3.239 2.397 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.318 0.373 1.148 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.590 1.064 1.283 1.00 0.00 C ATOM 1293 C GLY A 96 -3.963 1.783 -0.015 1.00 0.00 C ATOM 1294 O GLY A 96 -3.181 1.801 -0.965 1.00 0.00 O ATOM 0 H GLY A 96 -1.682 0.779 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.370 0.349 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.532 1.785 2.099 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.156 2.359 -0.012 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.642 3.077 -1.179 1.00 0.00 C ATOM 1300 C LEU A 97 -5.603 4.580 -0.898 1.00 0.00 C ATOM 1301 O LEU A 97 -6.127 5.040 0.115 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.024 2.564 -1.585 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.119 2.665 -0.523 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.508 2.658 -1.163 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.965 1.562 0.529 1.00 0.00 C ATOM 0 H LEU A 97 -5.800 2.343 0.779 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.995 2.895 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.349 3.116 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.929 1.519 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.009 3.619 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.268 2.731 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.601 3.506 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.647 1.732 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.756 1.656 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.034 0.587 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.995 1.657 1.017 1.00 0.00 H new ATOM 1317 N SER A 98 -4.977 5.303 -1.815 1.00 0.00 N ATOM 1318 CA SER A 98 -4.861 6.747 -1.679 1.00 0.00 C ATOM 1319 C SER A 98 -6.068 7.431 -2.324 1.00 0.00 C ATOM 1320 O SER A 98 -6.782 6.818 -3.119 1.00 0.00 O ATOM 1321 CB SER A 98 -3.563 7.257 -2.306 1.00 0.00 C ATOM 1322 OG SER A 98 -3.534 7.046 -3.716 1.00 0.00 O ATOM 0 H SER A 98 -4.545 4.917 -2.655 1.00 0.00 H new ATOM 0 HA SER A 98 -4.838 6.990 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.452 8.321 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.714 6.751 -1.846 1.00 0.00 H new ATOM 0 HG SER A 98 -2.690 7.386 -4.080 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.260 8.690 -1.959 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.368 9.463 -2.492 1.00 0.00 C ATOM 1330 C ASP A 99 -6.928 10.154 -3.783 1.00 0.00 C ATOM 1331 O ASP A 99 -5.734 10.335 -4.019 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.811 10.544 -1.505 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.352 10.329 -0.061 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.213 9.147 0.319 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -7.150 11.351 0.629 1.00 0.00 O ATOM 0 H ASP A 99 -5.666 9.194 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.198 8.780 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.434 11.507 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.899 10.604 -1.519 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.915 10.521 -4.588 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.643 11.187 -5.849 1.00 0.00 C ATOM 1343 C ALA A 100 -7.350 12.668 -5.587 1.00 0.00 C ATOM 1344 O ALA A 100 -7.099 13.428 -6.520 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.828 10.988 -6.799 1.00 0.00 C ATOM 0 H ALA A 100 -8.904 10.369 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.764 10.756 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.623 11.488 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.977 9.923 -6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.728 11.411 -6.352 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.392 13.028 -4.314 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.133 14.402 -3.916 1.00 0.00 C ATOM 1353 C ALA A 101 -5.623 14.621 -3.808 1.00 0.00 C ATOM 1354 O ALA A 101 -4.975 15.005 -4.780 1.00 0.00 O ATOM 1355 CB ALA A 101 -7.862 14.700 -2.605 1.00 0.00 C ATOM 0 H ALA A 101 -7.601 12.393 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.513 15.097 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.668 15.730 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.934 14.559 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.505 14.024 -1.828 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.105 14.369 -2.615 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.684 14.534 -2.365 1.00 0.00 C ATOM 1363 C GLY A 102 -3.304 14.000 -0.981 1.00 0.00 C ATOM 1364 O GLY A 102 -2.417 14.545 -0.324 1.00 0.00 O ATOM 0 H GLY A 102 -5.645 14.051 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.113 14.009 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.419 15.589 -2.437 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.992 12.942 -0.582 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.738 12.329 0.712 1.00 0.00 C ATOM 1370 C ASN A 103 -3.991 10.822 0.615 1.00 0.00 C ATOM 1371 O ASN A 103 -4.705 10.366 -0.274 1.00 0.00 O ATOM 1372 CB ASN A 103 -4.668 12.898 1.784 1.00 0.00 C ATOM 1373 CG ASN A 103 -5.008 14.361 1.493 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -4.170 15.246 1.561 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -6.281 14.568 1.169 1.00 0.00 N ATOM 0 H ASN A 103 -4.725 12.493 -1.131 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.704 12.537 0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.584 12.309 1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.193 12.819 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.607 15.511 0.959 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.931 13.783 1.130 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.390 10.094 1.545 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.541 8.649 1.578 1.00 0.00 C ATOM 1384 C GLY A 104 -2.926 8.061 2.849 1.00 0.00 C ATOM 1385 O GLY A 104 -1.951 7.315 2.783 1.00 0.00 O ATOM 0 H GLY A 104 -2.798 10.478 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.598 8.389 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.063 8.210 0.702 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.537 8.430 4.006 1.00 0.00 N ATOM 1390 CA PRO A 105 -3.061 7.947 5.291 1.00 0.00 C ATOM 1391 C PRO A 105 -3.455 6.486 5.508 1.00 0.00 C ATOM 1392 O PRO A 105 -3.156 5.906 6.552 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.675 8.886 6.317 1.00 0.00 C ATOM 1394 CG PRO A 105 -4.837 9.568 5.613 1.00 0.00 C ATOM 1395 CD PRO A 105 -4.695 9.311 4.122 1.00 0.00 C ATOM 0 HA PRO A 105 -1.974 7.953 5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.017 8.337 7.194 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.945 9.617 6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.787 9.178 5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -4.832 10.639 5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.591 8.843 3.714 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.542 10.240 3.573 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.117 5.930 4.505 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.556 4.544 4.573 1.00 0.00 C ATOM 1405 C GLU A 106 -3.436 3.611 4.106 1.00 0.00 C ATOM 1406 O GLU A 106 -2.682 3.949 3.196 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.827 4.331 3.750 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.040 4.120 4.659 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.901 5.381 4.725 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.307 6.478 4.671 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -9.137 5.219 4.827 1.00 0.00 O ATOM 0 H GLU A 106 -4.361 6.413 3.640 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.792 4.307 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.996 5.194 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.702 3.466 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.637 3.287 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.706 3.851 5.661 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.365 2.457 4.753 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.351 1.471 4.415 1.00 0.00 C ATOM 1421 C GLY A 107 -1.945 0.659 5.647 1.00 0.00 C ATOM 1422 O GLY A 107 -1.644 1.226 6.696 1.00 0.00 O ATOM 0 H GLY A 107 -3.992 2.182 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.732 0.802 3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.476 1.971 4.000 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.950 -0.654 5.477 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.585 -1.550 6.562 1.00 0.00 C ATOM 1428 C VAL A 108 -0.095 -1.888 6.459 1.00 0.00 C ATOM 1429 O VAL A 108 0.376 -2.319 5.408 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.481 -2.790 6.541 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.119 -3.708 5.372 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.411 -3.540 7.871 1.00 0.00 C ATOM 0 H VAL A 108 -2.201 -1.120 4.605 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.744 -1.067 7.526 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.509 -2.458 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.771 -4.582 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.246 -3.169 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.082 -4.028 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.057 -4.417 7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.384 -3.855 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.742 -2.884 8.676 1.00 0.00 H new ATOM 1442 N ALA A 109 0.601 -1.681 7.566 1.00 0.00 N ATOM 1443 CA ALA A 109 2.028 -1.956 7.616 1.00 0.00 C ATOM 1444 C ALA A 109 2.263 -3.443 7.343 1.00 0.00 C ATOM 1445 O ALA A 109 2.311 -4.249 8.271 1.00 0.00 O ATOM 1446 CB ALA A 109 2.587 -1.516 8.969 1.00 0.00 C ATOM 0 H ALA A 109 0.204 -1.326 8.436 1.00 0.00 H new ATOM 0 HA ALA A 109 2.556 -1.391 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.657 -1.723 9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.419 -0.447 9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.084 -2.064 9.766 1.00 0.00 H new ATOM 1452 N ILE A 110 2.406 -3.763 6.065 1.00 0.00 N ATOM 1453 CA ILE A 110 2.636 -5.139 5.657 1.00 0.00 C ATOM 1454 C ILE A 110 4.132 -5.446 5.734 1.00 0.00 C ATOM 1455 O ILE A 110 4.962 -4.560 5.529 1.00 0.00 O ATOM 1456 CB ILE A 110 2.023 -5.400 4.281 1.00 0.00 C ATOM 1457 CG1 ILE A 110 1.344 -6.770 4.233 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.071 -5.241 3.176 1.00 0.00 C ATOM 1459 CD1 ILE A 110 0.777 -7.054 2.841 1.00 0.00 C ATOM 0 H ILE A 110 2.367 -3.092 5.298 1.00 0.00 H new ATOM 0 HA ILE A 110 2.135 -5.827 6.338 1.00 0.00 H new ATOM 0 HB ILE A 110 1.250 -4.652 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.062 -7.545 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.542 -6.808 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.610 -5.432 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.469 -4.226 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.882 -5.951 3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.300 -8.034 2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.042 -6.291 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.585 -7.039 2.109 1.00 0.00 H new ATOM 1471 N SER A 111 4.433 -6.702 6.027 1.00 0.00 N ATOM 1472 CA SER A 111 5.816 -7.136 6.131 1.00 0.00 C ATOM 1473 C SER A 111 5.912 -8.359 7.047 1.00 0.00 C ATOM 1474 O SER A 111 6.320 -9.434 6.610 1.00 0.00 O ATOM 1475 CB SER A 111 6.709 -6.009 6.657 1.00 0.00 C ATOM 1476 OG SER A 111 6.018 -5.167 7.578 1.00 0.00 O ATOM 0 H SER A 111 3.743 -7.434 6.196 1.00 0.00 H new ATOM 0 HA SER A 111 6.166 -7.406 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.585 -6.438 7.144 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.070 -5.412 5.820 1.00 0.00 H new ATOM 0 HG SER A 111 5.726 -4.351 7.120 1.00 0.00 H new ATOM 1482 N PHE A 112 5.530 -8.154 8.299 1.00 0.00 N ATOM 1483 CA PHE A 112 5.568 -9.226 9.279 1.00 0.00 C ATOM 1484 C PHE A 112 4.543 -8.990 10.390 1.00 0.00 C ATOM 1485 O PHE A 112 4.588 -7.969 11.074 1.00 0.00 O ATOM 1486 CB PHE A 112 6.973 -9.227 9.887 1.00 0.00 C ATOM 1487 CG PHE A 112 7.461 -10.607 10.327 1.00 0.00 C ATOM 1488 CD1 PHE A 112 7.390 -11.660 9.467 1.00 0.00 C ATOM 1489 CD2 PHE A 112 7.963 -10.784 11.579 1.00 0.00 C ATOM 1490 CE1 PHE A 112 7.843 -12.942 9.876 1.00 0.00 C ATOM 1491 CE2 PHE A 112 8.414 -12.066 11.987 1.00 0.00 C ATOM 1492 CZ PHE A 112 8.345 -13.119 11.127 1.00 0.00 C ATOM 0 H PHE A 112 5.192 -7.261 8.657 1.00 0.00 H new ATOM 0 HA PHE A 112 5.332 -10.176 8.800 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.674 -8.821 9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.986 -8.558 10.747 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.989 -11.520 8.474 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.018 -9.949 12.262 1.00 0.00 H new ATOM 0 HE1 PHE A 112 7.789 -13.777 9.193 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.812 -12.207 12.981 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.689 -14.094 11.438 1.00 0.00 H new ATOM 1502 N ASN A 113 3.645 -9.951 10.535 1.00 0.00 N ATOM 1503 CA ASN A 113 2.611 -9.862 11.551 1.00 0.00 C ATOM 1504 C ASN A 113 3.236 -9.410 12.871 1.00 0.00 C ATOM 1505 O ASN A 113 4.143 -10.060 13.387 1.00 0.00 O ATOM 1506 CB ASN A 113 1.947 -11.221 11.784 1.00 0.00 C ATOM 1507 CG ASN A 113 2.983 -12.280 12.165 1.00 0.00 C ATOM 1508 OD1 ASN A 113 4.021 -12.424 11.539 1.00 0.00 O ATOM 1509 ND2 ASN A 113 2.649 -13.010 13.224 1.00 0.00 N ATOM 0 H ASN A 113 3.611 -10.797 9.965 1.00 0.00 H new ATOM 0 HA ASN A 113 1.862 -9.149 11.206 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.202 -11.135 12.575 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.420 -11.531 10.882 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.277 -13.742 13.558 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.765 -12.839 13.703 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.655 7.138 1.158 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.205 6.768 -0.113 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.535 5.576 -0.249 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.989 5.148 -1.491 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.676 5.888 -2.617 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.068 7.078 -2.510 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.490 7.567 -1.241 1.00 0.00 C HETATM 1524 C11 NCZ A 130 0.833 8.965 -1.098 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.243 9.600 -2.069 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.764 9.706 0.168 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.041 11.147 0.154 1.00 0.00 C HETATM 1528 C13 NCZ A 130 1.834 11.586 1.389 1.00 0.00 C HETATM 1529 C14 NCZ A 130 0.985 12.058 2.311 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -0.393 12.252 1.790 1.00 0.00 C HETATM 1531 C16 NCZ A 130 -0.275 11.929 0.287 1.00 0.00 C HETATM 1532 O6 NCZ A 130 -0.242 13.187 -0.445 1.00 0.00 O HETATM 1533 O5 NCZ A 130 2.756 12.617 1.032 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.333 7.770 -3.703 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.818 4.842 0.879 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.367 5.252 2.124 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.378 6.397 2.275 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.818 6.753 3.541 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.221 8.081 3.937 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.633 3.587 0.829 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.623 3.812 0.432 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.141 2.859 0.184 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.729 3.175 1.834 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.061 8.404 3.323 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.387 8.770 3.802 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.519 8.073 4.985 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -1.009 5.546 -3.597 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.585 4.239 -1.577 1.00 0.00 H new HETATM 0 H6 NCZ A 130 -0.995 13.749 -0.164 1.00 0.00 H new HETATM 0 H5 NCZ A 130 3.007 12.520 0.090 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.608 4.653 3.002 1.00 0.00 H new HETATM 0 H2 NCZ A 130 0.824 8.594 -3.501 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -1.105 11.345 -0.112 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -1.283 12.553 2.343 1.00 0.00 H new HETATM 0 H14 NCZ A 130 1.275 12.277 3.338 1.00 0.00 H new HETATM 0 H13 NCZ A 130 2.382 10.732 1.787 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.583 11.338 -0.772 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.247 8.047 1.263 1.00 0.00 H new