USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 GLN : amide:sc= -1.7! C(o=-4.1!,f=-3.7!) USER MOD Set 1.2: A 78 LYS NZ :NH3+ -123:sc= -2.35 (180deg=-4.63!) USER MOD Set 2.1: A 39 LYS NZ :NH3+ -168:sc= 0.802 (180deg=0) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= 0.711 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= -0.372 (180deg=-1.82!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 160:sc= -0.554 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.279 USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= -1.79 (180deg=-6.42!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.776 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=4.6e-05) USER MOD Single : A 60 SER OG : rot 180:sc= 0.131 USER MOD Single : A 62 GLN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Single : A 64 SER OG : rot 170:sc= -1.71! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= 0.207 (180deg=0.018) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -21:sc= 0.678 USER MOD Single : A 83 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.21) USER MOD Single : A 84 HIS : no HD1:sc= -0.982 K(o=-0.98,f=-0.22) USER MOD Single : A 89 ASN : amide:sc= -0.0485 X(o=-0.049,f=-0.26) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.425 -16.836 3.579 1.00 0.00 N ATOM 2 CA MET A 1 6.950 -15.574 2.954 1.00 0.00 C ATOM 3 C MET A 1 7.922 -15.090 1.883 1.00 0.00 C ATOM 4 O MET A 1 9.123 -14.970 2.129 1.00 0.00 O ATOM 5 CB MET A 1 6.798 -14.518 4.048 1.00 0.00 C ATOM 6 CG MET A 1 5.974 -14.988 5.236 1.00 0.00 C ATOM 7 SD MET A 1 6.529 -14.273 6.794 1.00 0.00 S ATOM 8 CE MET A 1 5.974 -12.581 6.607 1.00 0.00 C ATOM 0 H1 MET A 1 6.611 -17.451 3.780 1.00 0.00 H new ATOM 0 H2 MET A 1 8.074 -17.323 2.928 1.00 0.00 H new ATOM 0 H3 MET A 1 7.922 -16.618 4.466 1.00 0.00 H new ATOM 0 HA MET A 1 5.991 -15.752 2.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.788 -14.223 4.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.332 -13.630 3.622 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.928 -14.727 5.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.025 -16.075 5.301 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.245 -12.009 7.494 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.447 -12.138 5.731 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.891 -12.565 6.482 1.00 0.00 H new ATOM 18 N LEU A 2 7.397 -14.815 0.695 1.00 0.00 N ATOM 19 CA LEU A 2 8.217 -14.346 -0.416 1.00 0.00 C ATOM 20 C LEU A 2 8.284 -12.822 -0.442 1.00 0.00 C ATOM 21 O LEU A 2 7.365 -12.143 0.018 1.00 0.00 O ATOM 22 CB LEU A 2 7.662 -14.870 -1.741 1.00 0.00 C ATOM 23 CG LEU A 2 6.931 -16.211 -1.648 1.00 0.00 C ATOM 24 CD1 LEU A 2 6.461 -16.662 -3.021 1.00 0.00 C ATOM 25 CD2 LEU A 2 7.832 -17.263 -1.018 1.00 0.00 C ATOM 0 H LEU A 2 6.405 -14.909 0.476 1.00 0.00 H new ATOM 0 HA LEU A 2 9.228 -14.730 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.977 -14.127 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.485 -14.970 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 2 6.054 -16.082 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.944 -17.617 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.781 -15.918 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.321 -16.775 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.298 -18.211 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.727 -17.388 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.118 -16.944 -0.016 1.00 0.00 H new ATOM 37 N THR A 3 9.377 -12.293 -0.980 1.00 0.00 N ATOM 38 CA THR A 3 9.567 -10.849 -1.065 1.00 0.00 C ATOM 39 C THR A 3 9.292 -10.338 -2.476 1.00 0.00 C ATOM 40 O THR A 3 10.095 -10.537 -3.387 1.00 0.00 O ATOM 41 CB THR A 3 10.995 -10.447 -0.652 1.00 0.00 C ATOM 42 OG1 THR A 3 11.722 -11.566 -0.126 1.00 0.00 O ATOM 43 CG2 THR A 3 10.964 -9.354 0.406 1.00 0.00 C ATOM 0 H THR A 3 10.146 -12.842 -1.364 1.00 0.00 H new ATOM 0 HA THR A 3 8.856 -10.395 -0.375 1.00 0.00 H new ATOM 0 HB THR A 3 11.494 -10.082 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.625 -11.280 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.984 -9.086 0.682 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.454 -8.477 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.432 -9.715 1.286 1.00 0.00 H new ATOM 51 N PRO A 4 8.143 -9.674 -2.671 1.00 0.00 N ATOM 52 CA PRO A 4 7.747 -9.132 -3.971 1.00 0.00 C ATOM 53 C PRO A 4 8.396 -7.784 -4.270 1.00 0.00 C ATOM 54 O PRO A 4 9.049 -7.193 -3.409 1.00 0.00 O ATOM 55 CB PRO A 4 6.236 -8.978 -3.822 1.00 0.00 C ATOM 56 CG PRO A 4 6.031 -8.687 -2.374 1.00 0.00 C ATOM 57 CD PRO A 4 7.133 -9.404 -1.632 1.00 0.00 C ATOM 0 HA PRO A 4 8.054 -9.774 -4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.856 -8.170 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.713 -9.886 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.070 -7.614 -2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.052 -9.033 -2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.540 -8.789 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.773 -10.326 -1.176 1.00 0.00 H new ATOM 65 N ALA A 5 8.211 -7.303 -5.496 1.00 0.00 N ATOM 66 CA ALA A 5 8.778 -6.025 -5.911 1.00 0.00 C ATOM 67 C ALA A 5 7.725 -4.922 -5.887 1.00 0.00 C ATOM 68 O ALA A 5 7.427 -4.312 -6.914 1.00 0.00 O ATOM 69 CB ALA A 5 9.395 -6.129 -7.298 1.00 0.00 C ATOM 0 H ALA A 5 7.673 -7.780 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 5 9.562 -5.767 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.811 -5.163 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.188 -6.877 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.629 -6.422 -8.016 1.00 0.00 H new ATOM 75 N PHE A 6 7.167 -4.668 -4.709 1.00 0.00 N ATOM 76 CA PHE A 6 6.150 -3.638 -4.549 1.00 0.00 C ATOM 77 C PHE A 6 6.750 -2.250 -4.740 1.00 0.00 C ATOM 78 O PHE A 6 7.966 -2.072 -4.661 1.00 0.00 O ATOM 79 CB PHE A 6 5.513 -3.747 -3.165 1.00 0.00 C ATOM 80 CG PHE A 6 6.424 -3.320 -2.050 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.477 -1.995 -1.649 1.00 0.00 C ATOM 82 CD2 PHE A 6 7.228 -4.244 -1.404 1.00 0.00 C ATOM 83 CE1 PHE A 6 7.315 -1.599 -0.624 1.00 0.00 C ATOM 84 CE2 PHE A 6 8.067 -3.855 -0.378 1.00 0.00 C ATOM 85 CZ PHE A 6 8.111 -2.531 0.014 1.00 0.00 C ATOM 0 H PHE A 6 7.403 -5.163 -3.849 1.00 0.00 H new ATOM 0 HA PHE A 6 5.384 -3.788 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.611 -3.136 -3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.204 -4.779 -2.996 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.856 -1.263 -2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.199 -5.281 -1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.348 -0.563 -0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.689 -4.586 0.118 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.766 -2.225 0.817 1.00 0.00 H new ATOM 95 N ASP A 7 5.892 -1.271 -4.996 1.00 0.00 N ATOM 96 CA ASP A 7 6.342 0.099 -5.201 1.00 0.00 C ATOM 97 C ASP A 7 5.294 1.096 -4.720 1.00 0.00 C ATOM 98 O ASP A 7 4.093 0.829 -4.780 1.00 0.00 O ATOM 99 CB ASP A 7 6.653 0.333 -6.679 1.00 0.00 C ATOM 100 CG ASP A 7 8.043 -0.137 -7.057 1.00 0.00 C ATOM 101 OD1 ASP A 7 8.296 -1.359 -6.988 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.879 0.715 -7.423 1.00 0.00 O ATOM 0 H ASP A 7 4.883 -1.400 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 7 7.249 0.252 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.917 -0.190 -7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.558 1.395 -6.904 1.00 0.00 H new ATOM 107 N LEU A 8 5.757 2.245 -4.240 1.00 0.00 N ATOM 108 CA LEU A 8 4.861 3.282 -3.745 1.00 0.00 C ATOM 109 C LEU A 8 4.935 4.536 -4.610 1.00 0.00 C ATOM 110 O LEU A 8 6.019 5.009 -4.950 1.00 0.00 O ATOM 111 CB LEU A 8 5.200 3.632 -2.294 1.00 0.00 C ATOM 112 CG LEU A 8 5.747 2.475 -1.458 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.576 3.001 -0.296 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.608 1.603 -0.951 1.00 0.00 C ATOM 0 H LEU A 8 6.748 2.481 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 8 3.844 2.892 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.933 4.439 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.302 4.017 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 8 6.393 1.866 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.957 2.163 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.412 3.585 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.954 3.632 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.014 0.784 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.939 2.202 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.055 1.198 -1.798 1.00 0.00 H new ATOM 126 N SER A 9 3.769 5.072 -4.944 1.00 0.00 N ATOM 127 CA SER A 9 3.673 6.281 -5.754 1.00 0.00 C ATOM 128 C SER A 9 2.532 7.141 -5.239 1.00 0.00 C ATOM 129 O SER A 9 1.460 6.631 -4.924 1.00 0.00 O ATOM 130 CB SER A 9 3.450 5.931 -7.226 1.00 0.00 C ATOM 131 OG SER A 9 3.952 6.949 -8.074 1.00 0.00 O ATOM 0 H SER A 9 2.868 4.685 -4.664 1.00 0.00 H new ATOM 0 HA SER A 9 4.609 6.834 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.942 4.986 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.385 5.790 -7.412 1.00 0.00 H new ATOM 0 HG SER A 9 3.799 6.701 -9.010 1.00 0.00 H new ATOM 137 N GLN A 10 2.765 8.441 -5.129 1.00 0.00 N ATOM 138 CA GLN A 10 1.741 9.339 -4.617 1.00 0.00 C ATOM 139 C GLN A 10 1.550 10.563 -5.502 1.00 0.00 C ATOM 140 O GLN A 10 2.509 11.129 -6.027 1.00 0.00 O ATOM 141 CB GLN A 10 2.102 9.781 -3.201 1.00 0.00 C ATOM 142 CG GLN A 10 3.064 10.958 -3.160 1.00 0.00 C ATOM 143 CD GLN A 10 2.352 12.296 -3.192 1.00 0.00 C ATOM 144 OE1 GLN A 10 2.697 13.178 -3.979 1.00 0.00 O ATOM 145 NE2 GLN A 10 1.352 12.455 -2.332 1.00 0.00 N ATOM 0 H GLN A 10 3.643 8.893 -5.384 1.00 0.00 H new ATOM 0 HA GLN A 10 0.800 8.789 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.189 10.049 -2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.546 8.940 -2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.670 10.895 -2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.747 10.894 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.100 11.697 -1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.837 13.335 -2.306 1.00 0.00 H new ATOM 154 N ASP A 11 0.295 10.973 -5.637 1.00 0.00 N ATOM 155 CA ASP A 11 -0.058 12.142 -6.425 1.00 0.00 C ATOM 156 C ASP A 11 -0.314 13.324 -5.496 1.00 0.00 C ATOM 157 O ASP A 11 -0.604 13.141 -4.314 1.00 0.00 O ATOM 158 CB ASP A 11 -1.305 11.855 -7.266 1.00 0.00 C ATOM 159 CG ASP A 11 -1.076 12.085 -8.747 1.00 0.00 C ATOM 160 OD1 ASP A 11 -0.153 11.459 -9.310 1.00 0.00 O ATOM 161 OD2 ASP A 11 -1.821 12.892 -9.344 1.00 0.00 O ATOM 0 H ASP A 11 -0.502 10.505 -5.205 1.00 0.00 H new ATOM 0 HA ASP A 11 0.766 12.384 -7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.616 10.823 -7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.122 12.491 -6.926 1.00 0.00 H new ATOM 166 N PRO A 12 -0.204 14.555 -6.012 1.00 0.00 N ATOM 167 CA PRO A 12 -0.419 15.771 -5.219 1.00 0.00 C ATOM 168 C PRO A 12 -1.776 15.810 -4.511 1.00 0.00 C ATOM 169 O PRO A 12 -2.020 16.693 -3.689 1.00 0.00 O ATOM 170 CB PRO A 12 -0.329 16.906 -6.249 1.00 0.00 C ATOM 171 CG PRO A 12 -0.407 16.247 -7.585 1.00 0.00 C ATOM 172 CD PRO A 12 0.148 14.866 -7.402 1.00 0.00 C ATOM 0 HA PRO A 12 0.313 15.840 -4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.142 17.620 -6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.603 17.461 -6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.437 16.209 -7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.167 16.802 -8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.296 14.156 -8.100 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.226 14.839 -7.562 1.00 0.00 H new ATOM 180 N ASP A 13 -2.656 14.855 -4.814 1.00 0.00 N ATOM 181 CA ASP A 13 -3.970 14.805 -4.180 1.00 0.00 C ATOM 182 C ASP A 13 -4.325 13.384 -3.752 1.00 0.00 C ATOM 183 O ASP A 13 -5.484 13.100 -3.450 1.00 0.00 O ATOM 184 CB ASP A 13 -5.042 15.321 -5.138 1.00 0.00 C ATOM 185 CG ASP A 13 -4.772 16.737 -5.606 1.00 0.00 C ATOM 186 OD1 ASP A 13 -3.906 17.406 -5.005 1.00 0.00 O ATOM 187 OD2 ASP A 13 -5.425 17.176 -6.575 1.00 0.00 O ATOM 0 H ASP A 13 -2.483 14.111 -5.490 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.931 15.439 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.099 14.661 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.013 15.284 -4.645 1.00 0.00 H new ATOM 192 N PHE A 14 -3.326 12.503 -3.710 1.00 0.00 N ATOM 193 CA PHE A 14 -3.552 11.112 -3.313 1.00 0.00 C ATOM 194 C PHE A 14 -2.247 10.354 -3.089 1.00 0.00 C ATOM 195 O PHE A 14 -1.164 10.828 -3.424 1.00 0.00 O ATOM 196 CB PHE A 14 -4.354 10.360 -4.386 1.00 0.00 C ATOM 197 CG PHE A 14 -5.546 11.097 -4.921 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.406 12.020 -5.945 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.808 10.865 -4.399 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.505 12.697 -6.439 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.910 11.539 -4.889 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.758 12.456 -5.911 1.00 0.00 C ATOM 0 H PHE A 14 -2.358 12.725 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.107 11.153 -2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.689 10.125 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.690 9.411 -3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.428 12.212 -6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.932 10.149 -3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.384 13.414 -7.237 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.889 11.349 -4.474 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.618 12.984 -6.296 1.00 0.00 H new ATOM 212 N LEU A 15 -2.387 9.151 -2.543 1.00 0.00 N ATOM 213 CA LEU A 15 -1.262 8.261 -2.288 1.00 0.00 C ATOM 214 C LEU A 15 -1.617 6.873 -2.796 1.00 0.00 C ATOM 215 O LEU A 15 -2.517 6.228 -2.260 1.00 0.00 O ATOM 216 CB LEU A 15 -0.945 8.194 -0.792 1.00 0.00 C ATOM 217 CG LEU A 15 -0.020 7.047 -0.373 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.802 5.749 -0.241 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.116 6.886 -1.372 1.00 0.00 C ATOM 0 H LEU A 15 -3.289 8.765 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.381 8.643 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.488 9.137 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.882 8.104 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 15 0.408 7.290 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.127 4.947 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.580 5.868 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.260 5.501 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.763 6.067 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.705 6.667 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.695 7.809 -1.417 1.00 0.00 H new ATOM 231 N THR A 16 -0.936 6.410 -3.839 1.00 0.00 N ATOM 232 CA THR A 16 -1.226 5.102 -4.404 1.00 0.00 C ATOM 233 C THR A 16 -0.168 4.079 -4.018 1.00 0.00 C ATOM 234 O THR A 16 1.029 4.366 -4.040 1.00 0.00 O ATOM 235 CB THR A 16 -1.306 5.173 -5.941 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.218 6.192 -6.370 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.757 3.845 -6.527 1.00 0.00 C ATOM 0 H THR A 16 -0.185 6.919 -4.306 1.00 0.00 H new ATOM 0 HA THR A 16 -2.188 4.790 -3.998 1.00 0.00 H new ATOM 0 HB THR A 16 -0.303 5.411 -6.297 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.021 6.437 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.805 3.924 -7.613 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.047 3.065 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.743 3.592 -6.138 1.00 0.00 H new ATOM 245 N ILE A 17 -0.620 2.880 -3.679 1.00 0.00 N ATOM 246 CA ILE A 17 0.280 1.802 -3.300 1.00 0.00 C ATOM 247 C ILE A 17 0.216 0.675 -4.325 1.00 0.00 C ATOM 248 O ILE A 17 -0.823 0.451 -4.946 1.00 0.00 O ATOM 249 CB ILE A 17 -0.062 1.252 -1.901 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.151 2.406 -0.893 1.00 0.00 C ATOM 251 CG2 ILE A 17 0.975 0.224 -1.466 1.00 0.00 C ATOM 252 CD1 ILE A 17 0.215 2.015 0.524 1.00 0.00 C ATOM 0 H ILE A 17 -1.609 2.629 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 17 1.291 2.208 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.031 0.754 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.508 3.211 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.166 2.803 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.719 -0.155 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.990 -0.601 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.959 0.692 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.127 2.884 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.459 1.232 0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.241 1.647 0.546 1.00 0.00 H new ATOM 264 N ALA A 18 1.325 -0.032 -4.502 1.00 0.00 N ATOM 265 CA ALA A 18 1.379 -1.131 -5.456 1.00 0.00 C ATOM 266 C ALA A 18 1.950 -2.386 -4.813 1.00 0.00 C ATOM 267 O ALA A 18 3.088 -2.394 -4.345 1.00 0.00 O ATOM 268 CB ALA A 18 2.195 -0.750 -6.681 1.00 0.00 C ATOM 0 H ALA A 18 2.196 0.136 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 18 0.358 -1.341 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.219 -1.588 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.740 0.113 -7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.212 -0.501 -6.378 1.00 0.00 H new ATOM 274 N ILE A 19 1.157 -3.452 -4.807 1.00 0.00 N ATOM 275 CA ILE A 19 1.582 -4.723 -4.238 1.00 0.00 C ATOM 276 C ILE A 19 1.414 -5.840 -5.261 1.00 0.00 C ATOM 277 O ILE A 19 0.306 -6.097 -5.733 1.00 0.00 O ATOM 278 CB ILE A 19 0.783 -5.060 -2.965 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.698 -3.831 -2.056 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.422 -6.229 -2.231 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.020 -4.089 -0.749 1.00 0.00 C ATOM 0 H ILE A 19 0.212 -3.459 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 19 2.634 -4.633 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.228 -5.350 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.707 -3.478 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.186 -3.030 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.845 -6.454 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.437 -7.103 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.442 -5.968 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.041 -3.173 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.041 -4.413 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.504 -4.867 -0.194 1.00 0.00 H new ATOM 293 N ARG A 20 2.516 -6.491 -5.616 1.00 0.00 N ATOM 294 CA ARG A 20 2.476 -7.565 -6.603 1.00 0.00 C ATOM 295 C ARG A 20 2.254 -8.926 -5.951 1.00 0.00 C ATOM 296 O ARG A 20 3.045 -9.365 -5.117 1.00 0.00 O ATOM 297 CB ARG A 20 3.769 -7.582 -7.420 1.00 0.00 C ATOM 298 CG ARG A 20 3.567 -7.197 -8.875 1.00 0.00 C ATOM 299 CD ARG A 20 4.882 -7.145 -9.633 1.00 0.00 C ATOM 300 NE ARG A 20 4.765 -7.733 -10.964 1.00 0.00 N ATOM 301 CZ ARG A 20 5.725 -7.683 -11.878 1.00 0.00 C ATOM 302 NH1 ARG A 20 6.872 -7.077 -11.607 1.00 0.00 N ATOM 303 NH2 ARG A 20 5.539 -8.241 -13.068 1.00 0.00 N ATOM 0 H ARG A 20 3.443 -6.296 -5.238 1.00 0.00 H new ATOM 0 HA ARG A 20 1.632 -7.371 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.486 -6.897 -6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.207 -8.579 -7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.901 -7.916 -9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.078 -6.224 -8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.210 -6.109 -9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.648 -7.675 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 20 3.896 -8.209 -11.205 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.018 -6.647 -10.694 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.608 -7.040 -12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.658 -8.708 -13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.278 -8.202 -13.770 1.00 0.00 H new ATOM 317 N VAL A 21 1.168 -9.587 -6.344 1.00 0.00 N ATOM 318 CA VAL A 21 0.829 -10.900 -5.808 1.00 0.00 C ATOM 319 C VAL A 21 0.251 -11.804 -6.893 1.00 0.00 C ATOM 320 O VAL A 21 -0.671 -11.418 -7.611 1.00 0.00 O ATOM 321 CB VAL A 21 -0.188 -10.790 -4.657 1.00 0.00 C ATOM 322 CG1 VAL A 21 0.476 -10.236 -3.408 1.00 0.00 C ATOM 323 CG2 VAL A 21 -1.369 -9.924 -5.069 1.00 0.00 C ATOM 0 H VAL A 21 0.506 -9.232 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 21 1.754 -11.335 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.560 -11.789 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.259 -10.166 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.285 -10.899 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.879 -9.245 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.077 -9.858 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.016 -8.925 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.861 -10.368 -5.934 1.00 0.00 H new ATOM 333 N SER A 22 0.799 -13.011 -7.007 1.00 0.00 N ATOM 334 CA SER A 22 0.335 -13.969 -8.003 1.00 0.00 C ATOM 335 C SER A 22 -0.389 -15.137 -7.342 1.00 0.00 C ATOM 336 O SER A 22 -1.612 -15.251 -7.427 1.00 0.00 O ATOM 337 CB SER A 22 1.512 -14.488 -8.831 1.00 0.00 C ATOM 338 OG SER A 22 2.749 -14.115 -8.250 1.00 0.00 O ATOM 0 H SER A 22 1.564 -13.347 -6.422 1.00 0.00 H new ATOM 0 HA SER A 22 -0.366 -13.456 -8.661 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.456 -15.574 -8.908 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.449 -14.093 -9.845 1.00 0.00 H new ATOM 0 HG SER A 22 3.485 -14.460 -8.797 1.00 0.00 H new ATOM 344 N TYR A 23 0.373 -16.006 -6.684 1.00 0.00 N ATOM 345 CA TYR A 23 -0.200 -17.165 -6.012 1.00 0.00 C ATOM 346 C TYR A 23 -1.392 -16.761 -5.152 1.00 0.00 C ATOM 347 O TYR A 23 -2.477 -17.329 -5.272 1.00 0.00 O ATOM 348 CB TYR A 23 0.856 -17.852 -5.144 1.00 0.00 C ATOM 349 CG TYR A 23 1.789 -18.751 -5.921 1.00 0.00 C ATOM 350 CD1 TYR A 23 2.160 -18.440 -7.223 1.00 0.00 C ATOM 351 CD2 TYR A 23 2.301 -19.911 -5.352 1.00 0.00 C ATOM 352 CE1 TYR A 23 3.013 -19.261 -7.937 1.00 0.00 C ATOM 353 CE2 TYR A 23 3.154 -20.735 -6.059 1.00 0.00 C ATOM 354 CZ TYR A 23 3.507 -20.406 -7.350 1.00 0.00 C ATOM 355 OH TYR A 23 4.357 -21.225 -8.058 1.00 0.00 O ATOM 0 H TYR A 23 1.387 -15.929 -6.603 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.544 -17.862 -6.776 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.443 -17.091 -4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.355 -18.440 -4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.776 -17.542 -7.685 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.027 -20.172 -4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.291 -19.007 -8.949 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.543 -21.633 -5.602 1.00 0.00 H new ATOM 0 HH TYR A 23 4.615 -21.989 -7.501 1.00 0.00 H new ATOM 365 N ALA A 24 -1.178 -15.780 -4.284 1.00 0.00 N ATOM 366 CA ALA A 24 -2.233 -15.305 -3.398 1.00 0.00 C ATOM 367 C ALA A 24 -3.062 -16.478 -2.885 1.00 0.00 C ATOM 368 O ALA A 24 -3.989 -16.935 -3.555 1.00 0.00 O ATOM 369 CB ALA A 24 -3.127 -14.297 -4.105 1.00 0.00 C ATOM 0 H ALA A 24 -0.285 -15.299 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.764 -14.807 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.906 -13.959 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.530 -13.443 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.587 -14.766 -4.975 1.00 0.00 H new ATOM 375 N ARG A 25 -2.717 -16.970 -1.700 1.00 0.00 N ATOM 376 CA ARG A 25 -3.422 -18.103 -1.105 1.00 0.00 C ATOM 377 C ARG A 25 -4.790 -17.698 -0.556 1.00 0.00 C ATOM 378 O ARG A 25 -5.481 -18.510 0.061 1.00 0.00 O ATOM 379 CB ARG A 25 -2.575 -18.727 0.004 1.00 0.00 C ATOM 380 CG ARG A 25 -1.939 -20.051 -0.393 1.00 0.00 C ATOM 381 CD ARG A 25 -2.959 -21.177 -0.401 1.00 0.00 C ATOM 382 NE ARG A 25 -2.734 -22.127 0.686 1.00 0.00 N ATOM 383 CZ ARG A 25 -3.419 -23.257 0.832 1.00 0.00 C ATOM 384 NH1 ARG A 25 -4.371 -23.575 -0.035 1.00 0.00 N ATOM 385 NH2 ARG A 25 -3.153 -24.070 1.844 1.00 0.00 N ATOM 0 H ARG A 25 -1.954 -16.603 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.587 -18.838 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.790 -18.027 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.199 -18.882 0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.490 -19.958 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.134 -20.292 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.962 -20.758 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.913 -21.701 -1.356 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.010 -21.911 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.579 -22.952 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.895 -24.442 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.421 -23.829 2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.680 -24.936 1.954 1.00 0.00 H new ATOM 399 N VAL A 26 -5.182 -16.450 -0.786 1.00 0.00 N ATOM 400 CA VAL A 26 -6.472 -15.958 -0.316 1.00 0.00 C ATOM 401 C VAL A 26 -7.263 -15.328 -1.457 1.00 0.00 C ATOM 402 O VAL A 26 -6.729 -14.533 -2.230 1.00 0.00 O ATOM 403 CB VAL A 26 -6.307 -14.923 0.811 1.00 0.00 C ATOM 404 CG1 VAL A 26 -5.720 -15.574 2.053 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.442 -13.761 0.348 1.00 0.00 C ATOM 0 H VAL A 26 -4.627 -15.762 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.016 -16.819 0.073 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.292 -14.532 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.611 -14.826 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.384 -16.367 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.743 -15.996 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.337 -13.040 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.458 -14.132 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.911 -13.278 -0.509 1.00 0.00 H new ATOM 415 N SER A 27 -8.539 -15.689 -1.559 1.00 0.00 N ATOM 416 CA SER A 27 -9.397 -15.154 -2.610 1.00 0.00 C ATOM 417 C SER A 27 -9.455 -13.633 -2.536 1.00 0.00 C ATOM 418 O SER A 27 -9.413 -12.950 -3.559 1.00 0.00 O ATOM 419 CB SER A 27 -10.806 -15.740 -2.498 1.00 0.00 C ATOM 420 OG SER A 27 -11.749 -14.741 -2.149 1.00 0.00 O ATOM 0 H SER A 27 -8.999 -16.347 -0.930 1.00 0.00 H new ATOM 0 HA SER A 27 -8.973 -15.438 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.090 -16.196 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.815 -16.531 -1.748 1.00 0.00 H new ATOM 0 HG SER A 27 -12.641 -15.141 -2.086 1.00 0.00 H new ATOM 426 N GLU A 28 -9.543 -13.108 -1.317 1.00 0.00 N ATOM 427 CA GLU A 28 -9.597 -11.667 -1.112 1.00 0.00 C ATOM 428 C GLU A 28 -8.555 -11.230 -0.088 1.00 0.00 C ATOM 429 O GLU A 28 -8.220 -11.978 0.832 1.00 0.00 O ATOM 430 CB GLU A 28 -10.990 -11.235 -0.656 1.00 0.00 C ATOM 431 CG GLU A 28 -11.225 -9.737 -0.777 1.00 0.00 C ATOM 432 CD GLU A 28 -12.368 -9.398 -1.712 1.00 0.00 C ATOM 433 OE1 GLU A 28 -13.532 -9.414 -1.259 1.00 0.00 O ATOM 434 OE2 GLU A 28 -12.100 -9.115 -2.900 1.00 0.00 O ATOM 0 H GLU A 28 -9.578 -13.659 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.377 -11.185 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.738 -11.762 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.135 -11.536 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.434 -9.325 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.314 -9.258 -1.135 1.00 0.00 H new ATOM 441 N PHE A 29 -8.042 -10.021 -0.262 1.00 0.00 N ATOM 442 CA PHE A 29 -7.028 -9.481 0.633 1.00 0.00 C ATOM 443 C PHE A 29 -7.645 -8.550 1.672 1.00 0.00 C ATOM 444 O PHE A 29 -8.809 -8.164 1.565 1.00 0.00 O ATOM 445 CB PHE A 29 -5.964 -8.742 -0.177 1.00 0.00 C ATOM 446 CG PHE A 29 -5.812 -9.283 -1.571 1.00 0.00 C ATOM 447 CD1 PHE A 29 -5.857 -10.650 -1.801 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.632 -8.432 -2.649 1.00 0.00 C ATOM 449 CE1 PHE A 29 -5.724 -11.159 -3.079 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.498 -8.935 -3.931 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.543 -10.300 -4.145 1.00 0.00 C ATOM 0 H PHE A 29 -8.313 -9.392 -1.018 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.564 -10.311 1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.223 -7.685 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.007 -8.811 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.998 -11.326 -0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.596 -7.365 -2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.762 -12.226 -3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.358 -8.262 -4.764 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.437 -10.694 -5.145 1.00 0.00 H new ATOM 461 N ASP A 30 -6.850 -8.190 2.673 1.00 0.00 N ATOM 462 CA ASP A 30 -7.304 -7.298 3.733 1.00 0.00 C ATOM 463 C ASP A 30 -6.592 -5.956 3.627 1.00 0.00 C ATOM 464 O ASP A 30 -5.366 -5.885 3.718 1.00 0.00 O ATOM 465 CB ASP A 30 -7.045 -7.922 5.104 1.00 0.00 C ATOM 466 CG ASP A 30 -8.320 -8.118 5.900 1.00 0.00 C ATOM 467 OD1 ASP A 30 -9.334 -7.466 5.568 1.00 0.00 O ATOM 468 OD2 ASP A 30 -8.306 -8.922 6.857 1.00 0.00 O ATOM 0 H ASP A 30 -5.885 -8.504 2.773 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.377 -7.141 3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.549 -8.884 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.363 -7.285 5.667 1.00 0.00 H new ATOM 473 N VAL A 31 -7.361 -4.895 3.417 1.00 0.00 N ATOM 474 CA VAL A 31 -6.788 -3.564 3.282 1.00 0.00 C ATOM 475 C VAL A 31 -7.294 -2.612 4.359 1.00 0.00 C ATOM 476 O VAL A 31 -8.479 -2.279 4.407 1.00 0.00 O ATOM 477 CB VAL A 31 -7.097 -2.962 1.899 1.00 0.00 C ATOM 478 CG1 VAL A 31 -6.319 -1.672 1.693 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.782 -3.966 0.800 1.00 0.00 C ATOM 0 H VAL A 31 -8.377 -4.930 3.337 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.710 -3.682 3.397 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.161 -2.728 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.550 -1.261 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.598 -0.952 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.250 -1.877 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.006 -3.525 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.726 -4.233 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.388 -4.861 0.940 1.00 0.00 H new ATOM 489 N TYR A 32 -6.377 -2.166 5.208 1.00 0.00 N ATOM 490 CA TYR A 32 -6.705 -1.232 6.277 1.00 0.00 C ATOM 491 C TYR A 32 -5.800 -0.011 6.181 1.00 0.00 C ATOM 492 O TYR A 32 -4.580 -0.125 6.287 1.00 0.00 O ATOM 493 CB TYR A 32 -6.550 -1.900 7.645 1.00 0.00 C ATOM 494 CG TYR A 32 -7.514 -3.042 7.873 1.00 0.00 C ATOM 495 CD1 TYR A 32 -8.859 -2.800 8.126 1.00 0.00 C ATOM 496 CD2 TYR A 32 -7.080 -4.361 7.835 1.00 0.00 C ATOM 497 CE1 TYR A 32 -9.743 -3.840 8.335 1.00 0.00 C ATOM 498 CE2 TYR A 32 -7.959 -5.407 8.042 1.00 0.00 C ATOM 499 CZ TYR A 32 -9.289 -5.141 8.292 1.00 0.00 C ATOM 500 OH TYR A 32 -10.167 -6.181 8.499 1.00 0.00 O ATOM 0 H TYR A 32 -5.394 -2.438 5.176 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.744 -0.921 6.167 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.530 -2.271 7.746 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.695 -1.152 8.424 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.219 -1.782 8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.039 -4.572 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.785 -3.635 8.531 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.606 -6.427 8.008 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.686 -7.033 8.434 1.00 0.00 H new ATOM 510 N PHE A 33 -6.399 1.151 5.963 1.00 0.00 N ATOM 511 CA PHE A 33 -5.630 2.381 5.834 1.00 0.00 C ATOM 512 C PHE A 33 -6.026 3.407 6.889 1.00 0.00 C ATOM 513 O PHE A 33 -7.170 3.860 6.939 1.00 0.00 O ATOM 514 CB PHE A 33 -5.812 2.972 4.437 1.00 0.00 C ATOM 515 CG PHE A 33 -7.210 3.452 4.166 1.00 0.00 C ATOM 516 CD1 PHE A 33 -8.207 2.555 3.820 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.526 4.799 4.257 1.00 0.00 C ATOM 518 CE1 PHE A 33 -9.495 2.990 3.571 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.811 5.240 4.008 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.797 4.335 3.665 1.00 0.00 C ATOM 0 H PHE A 33 -7.408 1.268 5.872 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.580 2.132 5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.120 3.804 4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.545 2.219 3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.975 1.503 3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.759 5.511 4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.264 2.280 3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.045 6.292 4.081 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.802 4.678 3.471 1.00 0.00 H new ATOM 530 N GLU A 34 -5.059 3.777 7.718 1.00 0.00 N ATOM 531 CA GLU A 34 -5.275 4.759 8.770 1.00 0.00 C ATOM 532 C GLU A 34 -4.093 5.718 8.825 1.00 0.00 C ATOM 533 O GLU A 34 -3.066 5.414 9.430 1.00 0.00 O ATOM 534 CB GLU A 34 -5.454 4.066 10.121 1.00 0.00 C ATOM 535 CG GLU A 34 -4.496 2.905 10.340 1.00 0.00 C ATOM 536 CD GLU A 34 -5.195 1.658 10.842 1.00 0.00 C ATOM 537 OE1 GLU A 34 -6.276 1.327 10.309 1.00 0.00 O ATOM 538 OE2 GLU A 34 -4.663 1.010 11.768 1.00 0.00 O ATOM 0 H GLU A 34 -4.109 3.407 7.680 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.183 5.320 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.314 4.797 10.917 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.478 3.701 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.986 2.679 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.730 3.201 11.057 1.00 0.00 H new ATOM 545 N GLY A 35 -4.235 6.870 8.178 1.00 0.00 N ATOM 546 CA GLY A 35 -3.155 7.837 8.158 1.00 0.00 C ATOM 547 C GLY A 35 -1.856 7.216 7.685 1.00 0.00 C ATOM 548 O GLY A 35 -1.862 6.317 6.844 1.00 0.00 O ATOM 0 H GLY A 35 -5.074 7.150 7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.421 8.667 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.018 8.251 9.157 1.00 0.00 H new ATOM 552 N SER A 36 -0.739 7.692 8.224 1.00 0.00 N ATOM 553 CA SER A 36 0.575 7.175 7.848 1.00 0.00 C ATOM 554 C SER A 36 0.653 5.657 8.017 1.00 0.00 C ATOM 555 O SER A 36 1.575 5.018 7.516 1.00 0.00 O ATOM 556 CB SER A 36 1.664 7.846 8.686 1.00 0.00 C ATOM 557 OG SER A 36 1.100 8.690 9.675 1.00 0.00 O ATOM 0 H SER A 36 -0.715 8.435 8.923 1.00 0.00 H new ATOM 0 HA SER A 36 0.732 7.405 6.794 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.281 7.084 9.163 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.319 8.428 8.038 1.00 0.00 H new ATOM 0 HG SER A 36 1.817 9.106 10.198 1.00 0.00 H new ATOM 563 N ASP A 37 -0.314 5.082 8.727 1.00 0.00 N ATOM 564 CA ASP A 37 -0.337 3.640 8.953 1.00 0.00 C ATOM 565 C ASP A 37 -1.068 2.913 7.824 1.00 0.00 C ATOM 566 O ASP A 37 -2.262 3.115 7.613 1.00 0.00 O ATOM 567 CB ASP A 37 -1.005 3.324 10.292 1.00 0.00 C ATOM 568 CG ASP A 37 -0.245 2.279 11.084 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.896 1.951 10.695 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.791 1.787 12.094 1.00 0.00 O ATOM 0 H ASP A 37 -1.089 5.590 9.154 1.00 0.00 H new ATOM 0 HA ASP A 37 0.695 3.289 8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.082 4.238 10.881 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.021 2.973 10.114 1.00 0.00 H new ATOM 575 N PHE A 38 -0.340 2.057 7.109 1.00 0.00 N ATOM 576 CA PHE A 38 -0.918 1.287 6.009 1.00 0.00 C ATOM 577 C PHE A 38 -0.623 -0.198 6.181 1.00 0.00 C ATOM 578 O PHE A 38 0.532 -0.620 6.111 1.00 0.00 O ATOM 579 CB PHE A 38 -0.366 1.765 4.666 1.00 0.00 C ATOM 580 CG PHE A 38 -0.831 0.934 3.502 1.00 0.00 C ATOM 581 CD1 PHE A 38 -1.999 1.255 2.830 1.00 0.00 C ATOM 582 CD2 PHE A 38 -0.102 -0.171 3.084 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.432 0.492 1.761 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.532 -0.937 2.016 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.697 -0.604 1.354 1.00 0.00 C ATOM 0 H PHE A 38 0.651 1.879 7.272 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.997 1.440 6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.665 2.801 4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.723 1.749 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.578 2.111 3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.810 -0.435 3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.344 0.753 1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.043 -1.795 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.033 -1.200 0.519 1.00 0.00 H new ATOM 595 N LYS A 39 -1.665 -0.987 6.419 1.00 0.00 N ATOM 596 CA LYS A 39 -1.497 -2.425 6.615 1.00 0.00 C ATOM 597 C LYS A 39 -2.258 -3.228 5.562 1.00 0.00 C ATOM 598 O LYS A 39 -3.438 -2.985 5.311 1.00 0.00 O ATOM 599 CB LYS A 39 -1.971 -2.831 8.013 1.00 0.00 C ATOM 600 CG LYS A 39 -2.489 -1.667 8.845 1.00 0.00 C ATOM 601 CD LYS A 39 -2.884 -2.115 10.243 1.00 0.00 C ATOM 602 CE LYS A 39 -1.668 -2.277 11.141 1.00 0.00 C ATOM 603 NZ LYS A 39 -1.949 -3.170 12.298 1.00 0.00 N ATOM 0 H LYS A 39 -2.629 -0.660 6.481 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.435 -2.647 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.760 -3.577 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.146 -3.306 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.721 -0.896 8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.349 -1.218 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.566 -1.386 10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.423 -3.061 10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.840 -2.684 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.352 -1.299 11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.175 -3.097 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.843 -2.885 12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.026 -4.153 11.967 1.00 0.00 H new ATOM 617 N PHE A 40 -1.569 -4.194 4.959 1.00 0.00 N ATOM 618 CA PHE A 40 -2.171 -5.048 3.940 1.00 0.00 C ATOM 619 C PHE A 40 -1.980 -6.518 4.294 1.00 0.00 C ATOM 620 O PHE A 40 -0.863 -7.031 4.241 1.00 0.00 O ATOM 621 CB PHE A 40 -1.535 -4.773 2.577 1.00 0.00 C ATOM 622 CG PHE A 40 -2.186 -5.526 1.452 1.00 0.00 C ATOM 623 CD1 PHE A 40 -3.323 -5.032 0.835 1.00 0.00 C ATOM 624 CD2 PHE A 40 -1.660 -6.732 1.014 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.924 -5.724 -0.199 1.00 0.00 C ATOM 626 CE2 PHE A 40 -2.257 -7.429 -0.019 1.00 0.00 C ATOM 627 CZ PHE A 40 -3.391 -6.925 -0.627 1.00 0.00 C ATOM 0 H PHE A 40 -0.591 -4.405 5.160 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.237 -4.825 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.589 -3.705 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.478 -5.037 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.745 -4.095 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.774 -7.131 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.810 -5.327 -0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.838 -8.367 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.859 -7.468 -1.434 1.00 0.00 H new ATOM 637 N TYR A 41 -3.063 -7.196 4.663 1.00 0.00 N ATOM 638 CA TYR A 41 -2.981 -8.605 5.028 1.00 0.00 C ATOM 639 C TYR A 41 -3.597 -9.489 3.952 1.00 0.00 C ATOM 640 O TYR A 41 -4.815 -9.530 3.785 1.00 0.00 O ATOM 641 CB TYR A 41 -3.684 -8.846 6.364 1.00 0.00 C ATOM 642 CG TYR A 41 -3.229 -7.916 7.467 1.00 0.00 C ATOM 643 CD1 TYR A 41 -1.907 -7.911 7.896 1.00 0.00 C ATOM 644 CD2 TYR A 41 -4.120 -7.044 8.079 1.00 0.00 C ATOM 645 CE1 TYR A 41 -1.487 -7.063 8.903 1.00 0.00 C ATOM 646 CE2 TYR A 41 -3.708 -6.193 9.087 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.392 -6.206 9.495 1.00 0.00 C ATOM 648 OH TYR A 41 -1.977 -5.361 10.497 1.00 0.00 O ATOM 0 H TYR A 41 -4.000 -6.796 4.717 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.927 -8.866 5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.759 -8.731 6.225 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.511 -9.876 6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.196 -8.581 7.435 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.152 -7.031 7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.456 -7.071 9.225 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.414 -5.521 9.553 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.035 -5.129 10.360 1.00 0.00 H new ATOM 658 N ALA A 42 -2.742 -10.202 3.234 1.00 0.00 N ATOM 659 CA ALA A 42 -3.187 -11.099 2.179 1.00 0.00 C ATOM 660 C ALA A 42 -2.357 -12.372 2.188 1.00 0.00 C ATOM 661 O ALA A 42 -1.143 -12.321 1.995 1.00 0.00 O ATOM 662 CB ALA A 42 -3.101 -10.423 0.818 1.00 0.00 C ATOM 0 H ALA A 42 -1.731 -10.176 3.364 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.230 -11.355 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.439 -11.114 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.733 -9.535 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.069 -10.135 0.620 1.00 0.00 H new ATOM 668 N LYS A 43 -3.015 -13.514 2.394 1.00 0.00 N ATOM 669 CA LYS A 43 -2.319 -14.793 2.411 1.00 0.00 C ATOM 670 C LYS A 43 -0.951 -14.617 3.102 1.00 0.00 C ATOM 671 O LYS A 43 -0.768 -13.641 3.829 1.00 0.00 O ATOM 672 CB LYS A 43 -2.222 -15.307 0.966 1.00 0.00 C ATOM 673 CG LYS A 43 -1.401 -14.418 0.047 1.00 0.00 C ATOM 674 CD LYS A 43 -2.296 -13.451 -0.718 1.00 0.00 C ATOM 675 CE LYS A 43 -1.486 -12.472 -1.552 1.00 0.00 C ATOM 676 NZ LYS A 43 -2.347 -11.432 -2.177 1.00 0.00 N ATOM 0 H LYS A 43 -4.021 -13.576 2.550 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.858 -15.545 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.784 -16.305 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.228 -15.404 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.671 -13.858 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.840 -15.034 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.967 -14.013 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.920 -12.900 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.736 -11.993 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.949 -13.015 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.282 -11.504 -3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.334 -11.574 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.028 -10.489 -1.875 1.00 0.00 H new ATOM 690 N PRO A 44 0.029 -15.529 2.929 1.00 0.00 N ATOM 691 CA PRO A 44 1.332 -15.380 3.589 1.00 0.00 C ATOM 692 C PRO A 44 1.948 -13.999 3.366 1.00 0.00 C ATOM 693 O PRO A 44 2.859 -13.593 4.086 1.00 0.00 O ATOM 694 CB PRO A 44 2.187 -16.466 2.937 1.00 0.00 C ATOM 695 CG PRO A 44 1.207 -17.506 2.523 1.00 0.00 C ATOM 696 CD PRO A 44 -0.033 -16.757 2.117 1.00 0.00 C ATOM 0 HA PRO A 44 1.253 -15.477 4.672 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.740 -16.077 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.921 -16.867 3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.594 -18.101 1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.998 -18.195 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.036 -16.534 1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.936 -17.331 2.325 1.00 0.00 H new ATOM 704 N TYR A 45 1.443 -13.285 2.365 1.00 0.00 N ATOM 705 CA TYR A 45 1.942 -11.952 2.043 1.00 0.00 C ATOM 706 C TYR A 45 1.463 -10.918 3.061 1.00 0.00 C ATOM 707 O TYR A 45 0.273 -10.613 3.138 1.00 0.00 O ATOM 708 CB TYR A 45 1.480 -11.546 0.645 1.00 0.00 C ATOM 709 CG TYR A 45 2.235 -12.246 -0.462 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.573 -11.966 -0.693 1.00 0.00 C ATOM 711 CD2 TYR A 45 1.612 -13.190 -1.270 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.272 -12.602 -1.699 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.304 -13.832 -2.281 1.00 0.00 C ATOM 714 CZ TYR A 45 3.633 -13.533 -2.491 1.00 0.00 C ATOM 715 OH TYR A 45 4.327 -14.170 -3.494 1.00 0.00 O ATOM 0 H TYR A 45 0.687 -13.608 1.761 1.00 0.00 H new ATOM 0 HA TYR A 45 3.031 -11.985 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.417 -11.764 0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.597 -10.468 0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.077 -11.238 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.571 -13.426 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.314 -12.372 -1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.806 -14.563 -2.902 1.00 0.00 H new ATOM 0 HH TYR A 45 3.732 -14.796 -3.957 1.00 0.00 H new ATOM 725 N PHE A 46 2.399 -10.376 3.834 1.00 0.00 N ATOM 726 CA PHE A 46 2.078 -9.369 4.841 1.00 0.00 C ATOM 727 C PHE A 46 2.849 -8.081 4.571 1.00 0.00 C ATOM 728 O PHE A 46 4.080 -8.066 4.612 1.00 0.00 O ATOM 729 CB PHE A 46 2.403 -9.897 6.241 1.00 0.00 C ATOM 730 CG PHE A 46 2.587 -8.816 7.269 1.00 0.00 C ATOM 731 CD1 PHE A 46 1.642 -7.814 7.417 1.00 0.00 C ATOM 732 CD2 PHE A 46 3.705 -8.805 8.088 1.00 0.00 C ATOM 733 CE1 PHE A 46 1.809 -6.819 8.362 1.00 0.00 C ATOM 734 CE2 PHE A 46 3.877 -7.813 9.037 1.00 0.00 C ATOM 735 CZ PHE A 46 2.928 -6.819 9.173 1.00 0.00 C ATOM 0 H PHE A 46 3.389 -10.618 3.782 1.00 0.00 H new ATOM 0 HA PHE A 46 1.011 -9.153 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.601 -10.560 6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.312 -10.497 6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.765 -7.810 6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.450 -9.580 7.984 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.066 -6.042 8.466 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.752 -7.816 9.670 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.060 -6.043 9.912 1.00 0.00 H new ATOM 745 N LEU A 47 2.124 -7.003 4.278 1.00 0.00 N ATOM 746 CA LEU A 47 2.759 -5.722 3.985 1.00 0.00 C ATOM 747 C LEU A 47 2.348 -4.627 4.966 1.00 0.00 C ATOM 748 O LEU A 47 1.193 -4.204 5.000 1.00 0.00 O ATOM 749 CB LEU A 47 2.433 -5.277 2.557 1.00 0.00 C ATOM 750 CG LEU A 47 3.551 -5.504 1.536 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.298 -4.689 0.278 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.904 -5.149 2.135 1.00 0.00 C ATOM 0 H LEU A 47 1.105 -6.991 4.238 1.00 0.00 H new ATOM 0 HA LEU A 47 3.833 -5.875 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.542 -5.808 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.185 -4.216 2.571 1.00 0.00 H new ATOM 0 HG LEU A 47 3.560 -6.560 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.103 -4.863 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.348 -4.989 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.261 -3.630 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.685 -5.317 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.906 -4.101 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.091 -5.775 3.008 1.00 0.00 H new ATOM 764 N ARG A 48 3.321 -4.156 5.739 1.00 0.00 N ATOM 765 CA ARG A 48 3.101 -3.086 6.705 1.00 0.00 C ATOM 766 C ARG A 48 4.055 -1.937 6.404 1.00 0.00 C ATOM 767 O ARG A 48 5.273 -2.097 6.482 1.00 0.00 O ATOM 768 CB ARG A 48 3.320 -3.592 8.133 1.00 0.00 C ATOM 769 CG ARG A 48 3.601 -2.483 9.134 1.00 0.00 C ATOM 770 CD ARG A 48 5.084 -2.383 9.453 1.00 0.00 C ATOM 771 NE ARG A 48 5.372 -2.740 10.840 1.00 0.00 N ATOM 772 CZ ARG A 48 5.079 -1.961 11.876 1.00 0.00 C ATOM 773 NH1 ARG A 48 4.488 -0.791 11.681 1.00 0.00 N ATOM 774 NH2 ARG A 48 5.376 -2.352 13.108 1.00 0.00 N ATOM 0 H ARG A 48 4.280 -4.503 5.714 1.00 0.00 H new ATOM 0 HA ARG A 48 2.071 -2.739 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.437 -4.144 8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.154 -4.294 8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.249 -1.532 8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.042 -2.669 10.051 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.643 -3.040 8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.428 -1.367 9.262 1.00 0.00 H new ATOM 0 HE ARG A 48 5.823 -3.636 11.023 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.257 -0.487 10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.264 -0.194 12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.830 -3.252 13.262 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.150 -1.752 13.902 1.00 0.00 H new ATOM 788 N LEU A 49 3.506 -0.785 6.036 1.00 0.00 N ATOM 789 CA LEU A 49 4.336 0.367 5.699 1.00 0.00 C ATOM 790 C LEU A 49 3.835 1.648 6.355 1.00 0.00 C ATOM 791 O LEU A 49 2.630 1.876 6.470 1.00 0.00 O ATOM 792 CB LEU A 49 4.379 0.550 4.182 1.00 0.00 C ATOM 793 CG LEU A 49 5.017 -0.605 3.409 1.00 0.00 C ATOM 794 CD1 LEU A 49 5.069 -0.290 1.922 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.411 -0.897 3.942 1.00 0.00 C ATOM 0 H LEU A 49 2.501 -0.624 5.964 1.00 0.00 H new ATOM 0 HA LEU A 49 5.338 0.170 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.361 0.691 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.927 1.465 3.957 1.00 0.00 H new ATOM 0 HG LEU A 49 4.401 -1.494 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.526 -1.124 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.057 -0.131 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.661 0.611 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.850 -1.722 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.035 -0.010 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.348 -1.169 4.996 1.00 0.00 H new ATOM 807 N THR A 50 4.780 2.487 6.769 1.00 0.00 N ATOM 808 CA THR A 50 4.461 3.760 7.400 1.00 0.00 C ATOM 809 C THR A 50 4.710 4.907 6.427 1.00 0.00 C ATOM 810 O THR A 50 5.855 5.271 6.161 1.00 0.00 O ATOM 811 CB THR A 50 5.304 3.984 8.671 1.00 0.00 C ATOM 812 OG1 THR A 50 5.137 2.910 9.605 1.00 0.00 O ATOM 813 CG2 THR A 50 4.914 5.284 9.357 1.00 0.00 C ATOM 0 H THR A 50 5.779 2.305 6.677 1.00 0.00 H new ATOM 0 HA THR A 50 3.408 3.733 7.680 1.00 0.00 H new ATOM 0 HB THR A 50 6.346 4.029 8.356 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.685 3.079 10.400 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.522 5.420 10.251 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.079 6.119 8.675 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.861 5.246 9.637 1.00 0.00 H new ATOM 821 N LEU A 51 3.632 5.469 5.892 1.00 0.00 N ATOM 822 CA LEU A 51 3.734 6.569 4.941 1.00 0.00 C ATOM 823 C LEU A 51 4.388 7.790 5.579 1.00 0.00 C ATOM 824 O LEU A 51 4.196 8.063 6.764 1.00 0.00 O ATOM 825 CB LEU A 51 2.349 6.937 4.407 1.00 0.00 C ATOM 826 CG LEU A 51 1.606 5.801 3.703 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.217 6.253 3.280 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.400 5.312 2.502 1.00 0.00 C ATOM 0 H LEU A 51 2.676 5.180 6.101 1.00 0.00 H new ATOM 0 HA LEU A 51 4.362 6.240 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.738 7.291 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.454 7.769 3.711 1.00 0.00 H new ATOM 0 HG LEU A 51 1.497 4.973 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.297 5.431 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.351 6.555 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.302 7.097 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.858 4.503 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.540 6.133 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.373 4.948 2.833 1.00 0.00 H new ATOM 840 N PRO A 52 5.171 8.542 4.791 1.00 0.00 N ATOM 841 CA PRO A 52 5.859 9.745 5.271 1.00 0.00 C ATOM 842 C PRO A 52 4.882 10.797 5.784 1.00 0.00 C ATOM 843 O PRO A 52 5.241 11.651 6.593 1.00 0.00 O ATOM 844 CB PRO A 52 6.599 10.262 4.032 1.00 0.00 C ATOM 845 CG PRO A 52 6.680 9.093 3.113 1.00 0.00 C ATOM 846 CD PRO A 52 5.444 8.281 3.371 1.00 0.00 C ATOM 0 HA PRO A 52 6.518 9.527 6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.063 11.091 3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.592 10.630 4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.725 9.416 2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.579 8.507 3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.615 8.594 2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.610 7.221 3.180 1.00 0.00 H new ATOM 854 N GLY A 53 3.643 10.725 5.308 1.00 0.00 N ATOM 855 CA GLY A 53 2.629 11.674 5.728 1.00 0.00 C ATOM 856 C GLY A 53 1.394 10.990 6.278 1.00 0.00 C ATOM 857 O GLY A 53 1.485 10.181 7.200 1.00 0.00 O ATOM 0 H GLY A 53 3.323 10.025 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.045 12.334 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.348 12.301 4.882 1.00 0.00 H new ATOM 861 N ARG A 54 0.237 11.313 5.712 1.00 0.00 N ATOM 862 CA ARG A 54 -1.020 10.720 6.153 1.00 0.00 C ATOM 863 C ARG A 54 -2.049 10.724 5.029 1.00 0.00 C ATOM 864 O ARG A 54 -2.046 11.609 4.173 1.00 0.00 O ATOM 865 CB ARG A 54 -1.566 11.476 7.366 1.00 0.00 C ATOM 866 CG ARG A 54 -1.271 10.792 8.690 1.00 0.00 C ATOM 867 CD ARG A 54 -1.121 11.800 9.818 1.00 0.00 C ATOM 868 NE ARG A 54 0.253 11.877 10.305 1.00 0.00 N ATOM 869 CZ ARG A 54 0.747 12.929 10.949 1.00 0.00 C ATOM 870 NH1 ARG A 54 -0.018 13.988 11.179 1.00 0.00 N ATOM 871 NH2 ARG A 54 2.006 12.922 11.365 1.00 0.00 N ATOM 0 H ARG A 54 0.143 11.982 4.947 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.825 9.686 6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.139 12.479 7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.645 11.590 7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.075 10.096 8.928 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.357 10.205 8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.438 12.783 9.470 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.782 11.525 10.640 1.00 0.00 H new ATOM 0 HE ARG A 54 0.868 11.079 10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.987 13.996 10.861 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.363 14.795 11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.596 12.109 11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.384 13.730 11.859 1.00 0.00 H new ATOM 885 N ILE A 55 -2.935 9.732 5.041 1.00 0.00 N ATOM 886 CA ILE A 55 -3.974 9.628 4.027 1.00 0.00 C ATOM 887 C ILE A 55 -5.355 9.734 4.662 1.00 0.00 C ATOM 888 O ILE A 55 -5.684 8.986 5.582 1.00 0.00 O ATOM 889 CB ILE A 55 -3.863 8.293 3.265 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.536 8.224 2.508 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.033 8.113 2.311 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.287 9.415 1.609 1.00 0.00 C ATOM 0 H ILE A 55 -2.952 8.991 5.742 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.837 10.451 3.325 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.893 7.481 3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.721 8.146 3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.518 7.315 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.931 7.164 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.966 8.118 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.042 8.929 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.328 9.296 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.081 9.482 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.272 10.326 2.208 1.00 0.00 H new ATOM 904 N VAL A 56 -6.149 10.691 4.189 1.00 0.00 N ATOM 905 CA VAL A 56 -7.481 10.924 4.735 1.00 0.00 C ATOM 906 C VAL A 56 -8.373 9.692 4.648 1.00 0.00 C ATOM 907 O VAL A 56 -8.228 8.861 3.752 1.00 0.00 O ATOM 908 CB VAL A 56 -8.177 12.090 4.010 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.668 11.649 2.641 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.326 12.632 4.847 1.00 0.00 C ATOM 0 H VAL A 56 -5.891 11.318 3.427 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.336 11.170 5.787 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.451 12.891 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.157 12.486 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.822 11.314 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.378 10.830 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.805 13.455 4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.054 11.840 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.943 12.989 5.803 1.00 0.00 H new ATOM 920 N GLU A 57 -9.310 9.601 5.588 1.00 0.00 N ATOM 921 CA GLU A 57 -10.256 8.494 5.637 1.00 0.00 C ATOM 922 C GLU A 57 -11.680 9.024 5.495 1.00 0.00 C ATOM 923 O GLU A 57 -12.102 9.899 6.249 1.00 0.00 O ATOM 924 CB GLU A 57 -10.110 7.725 6.952 1.00 0.00 C ATOM 925 CG GLU A 57 -11.047 6.533 7.069 1.00 0.00 C ATOM 926 CD GLU A 57 -11.377 6.190 8.508 1.00 0.00 C ATOM 927 OE1 GLU A 57 -12.228 6.884 9.103 1.00 0.00 O ATOM 928 OE2 GLU A 57 -10.784 5.229 9.041 1.00 0.00 O ATOM 0 H GLU A 57 -9.433 10.288 6.332 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.044 7.813 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.081 7.378 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.296 8.405 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.970 6.747 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.590 5.668 6.589 1.00 0.00 H new ATOM 935 N ASN A 58 -12.415 8.494 4.524 1.00 0.00 N ATOM 936 CA ASN A 58 -13.790 8.926 4.291 1.00 0.00 C ATOM 937 C ASN A 58 -14.473 8.064 3.234 1.00 0.00 C ATOM 938 O ASN A 58 -15.383 8.521 2.543 1.00 0.00 O ATOM 939 CB ASN A 58 -13.813 10.394 3.857 1.00 0.00 C ATOM 940 CG ASN A 58 -14.938 11.173 4.509 1.00 0.00 C ATOM 941 OD1 ASN A 58 -16.069 11.177 4.023 1.00 0.00 O ATOM 942 ND2 ASN A 58 -14.632 11.842 5.616 1.00 0.00 N ATOM 0 H ASN A 58 -12.085 7.768 3.888 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.338 8.814 5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.860 10.859 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.918 10.448 2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.348 12.386 6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.681 11.811 5.984 1.00 0.00 H new ATOM 949 N GLY A 59 -14.032 6.816 3.114 1.00 0.00 N ATOM 950 CA GLY A 59 -14.617 5.912 2.141 1.00 0.00 C ATOM 951 C GLY A 59 -14.065 6.104 0.741 1.00 0.00 C ATOM 952 O GLY A 59 -13.957 5.142 -0.019 1.00 0.00 O ATOM 0 H GLY A 59 -13.280 6.414 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.440 4.884 2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.697 6.058 2.122 1.00 0.00 H new ATOM 956 N SER A 60 -13.712 7.338 0.392 1.00 0.00 N ATOM 957 CA SER A 60 -13.170 7.623 -0.928 1.00 0.00 C ATOM 958 C SER A 60 -11.880 6.845 -1.155 1.00 0.00 C ATOM 959 O SER A 60 -10.908 7.005 -0.416 1.00 0.00 O ATOM 960 CB SER A 60 -12.913 9.123 -1.087 1.00 0.00 C ATOM 961 OG SER A 60 -12.786 9.756 0.174 1.00 0.00 O ATOM 0 H SER A 60 -13.792 8.151 1.003 1.00 0.00 H new ATOM 0 HA SER A 60 -13.902 7.311 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.005 9.280 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.731 9.578 -1.645 1.00 0.00 H new ATOM 0 HG SER A 60 -12.621 10.713 0.044 1.00 0.00 H new ATOM 967 N GLU A 61 -11.879 6.004 -2.180 1.00 0.00 N ATOM 968 CA GLU A 61 -10.709 5.200 -2.510 1.00 0.00 C ATOM 969 C GLU A 61 -10.911 4.477 -3.836 1.00 0.00 C ATOM 970 O GLU A 61 -12.033 4.365 -4.328 1.00 0.00 O ATOM 971 CB GLU A 61 -10.432 4.187 -1.401 1.00 0.00 C ATOM 972 CG GLU A 61 -11.637 3.331 -1.043 1.00 0.00 C ATOM 973 CD GLU A 61 -11.526 1.918 -1.578 1.00 0.00 C ATOM 974 OE1 GLU A 61 -10.723 1.136 -1.026 1.00 0.00 O ATOM 975 OE2 GLU A 61 -12.241 1.592 -2.549 1.00 0.00 O ATOM 0 H GLU A 61 -12.677 5.860 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.852 5.866 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.614 3.537 -1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.097 4.719 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.746 3.298 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.539 3.796 -1.440 1.00 0.00 H new ATOM 982 N GLN A 62 -9.819 3.986 -4.409 1.00 0.00 N ATOM 983 CA GLN A 62 -9.882 3.273 -5.679 1.00 0.00 C ATOM 984 C GLN A 62 -8.882 2.123 -5.709 1.00 0.00 C ATOM 985 O GLN A 62 -7.724 2.283 -5.321 1.00 0.00 O ATOM 986 CB GLN A 62 -9.612 4.232 -6.839 1.00 0.00 C ATOM 987 CG GLN A 62 -10.877 4.798 -7.462 1.00 0.00 C ATOM 988 CD GLN A 62 -10.589 5.789 -8.573 1.00 0.00 C ATOM 989 OE1 GLN A 62 -11.167 5.711 -9.657 1.00 0.00 O ATOM 990 NE2 GLN A 62 -9.688 6.728 -8.307 1.00 0.00 N ATOM 0 H GLN A 62 -8.881 4.068 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.885 2.859 -5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.992 5.055 -6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.040 3.710 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.480 3.980 -7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.470 5.287 -6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.233 6.755 -7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.451 7.422 -9.015 1.00 0.00 H new ATOM 999 N GLY A 63 -9.338 0.963 -6.170 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.472 -0.198 -6.240 1.00 0.00 C ATOM 1001 C GLY A 63 -8.691 -1.015 -7.498 1.00 0.00 C ATOM 1002 O GLY A 63 -9.812 -1.113 -7.997 1.00 0.00 O ATOM 0 H GLY A 63 -10.292 0.807 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.432 0.126 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.644 -0.828 -5.368 1.00 0.00 H new ATOM 1006 N SER A 64 -7.617 -1.603 -8.008 1.00 0.00 N ATOM 1007 CA SER A 64 -7.687 -2.419 -9.214 1.00 0.00 C ATOM 1008 C SER A 64 -6.816 -3.663 -9.073 1.00 0.00 C ATOM 1009 O SER A 64 -5.589 -3.570 -9.021 1.00 0.00 O ATOM 1010 CB SER A 64 -7.245 -1.607 -10.432 1.00 0.00 C ATOM 1011 OG SER A 64 -6.753 -0.335 -10.044 1.00 0.00 O ATOM 0 H SER A 64 -6.683 -1.530 -7.604 1.00 0.00 H new ATOM 0 HA SER A 64 -8.722 -2.732 -9.354 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.471 -2.150 -10.974 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.085 -1.483 -11.115 1.00 0.00 H new ATOM 0 HG SER A 64 -6.330 0.101 -10.813 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.456 -4.827 -9.007 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.735 -6.087 -8.865 1.00 0.00 C ATOM 1019 C TYR A 65 -6.704 -6.857 -10.181 1.00 0.00 C ATOM 1020 O TYR A 65 -7.747 -7.216 -10.728 1.00 0.00 O ATOM 1021 CB TYR A 65 -7.376 -6.949 -7.777 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.771 -8.332 -7.672 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -5.413 -8.499 -7.432 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -7.557 -9.469 -7.815 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.855 -9.759 -7.338 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -7.006 -10.732 -7.721 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.655 -10.872 -7.483 1.00 0.00 C ATOM 1028 OH TYR A 65 -5.102 -12.128 -7.389 1.00 0.00 O ATOM 0 H TYR A 65 -8.471 -4.923 -9.050 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.710 -5.852 -8.580 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.276 -6.443 -6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.443 -7.042 -7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.783 -7.629 -7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.615 -9.363 -8.003 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.797 -9.872 -7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.630 -11.606 -7.833 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.801 -12.803 -7.514 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.499 -7.116 -10.677 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.326 -7.852 -11.924 1.00 0.00 C ATOM 1040 C ASP A 66 -4.652 -9.196 -11.664 1.00 0.00 C ATOM 1041 O ASP A 66 -3.475 -9.255 -11.311 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.496 -7.033 -12.914 1.00 0.00 C ATOM 1043 CG ASP A 66 -4.558 -7.595 -14.321 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -5.124 -8.693 -14.499 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -4.038 -6.934 -15.246 1.00 0.00 O ATOM 0 H ASP A 66 -4.627 -6.827 -10.234 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.311 -8.033 -12.354 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.854 -6.004 -12.920 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.458 -7.007 -12.581 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.410 -10.275 -11.836 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.889 -11.619 -11.616 1.00 0.00 C ATOM 1052 C ALA A 67 -3.858 -11.990 -12.677 1.00 0.00 C ATOM 1053 O ALA A 67 -2.742 -12.396 -12.356 1.00 0.00 O ATOM 1054 CB ALA A 67 -6.016 -12.641 -11.596 1.00 0.00 C ATOM 0 H ALA A 67 -6.387 -10.244 -12.127 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.397 -11.627 -10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.602 -13.636 -11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.712 -12.399 -10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.542 -12.621 -12.550 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.240 -11.849 -13.942 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.347 -12.170 -15.049 1.00 0.00 C ATOM 1062 C ASP A 68 -2.056 -11.362 -14.957 1.00 0.00 C ATOM 1063 O ASP A 68 -0.959 -11.914 -15.039 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.037 -11.898 -16.386 1.00 0.00 C ATOM 1065 CG ASP A 68 -3.173 -12.281 -17.571 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -2.851 -13.480 -17.709 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -2.817 -11.382 -18.363 1.00 0.00 O ATOM 0 H ASP A 68 -5.161 -11.515 -14.226 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.098 -13.229 -14.986 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.974 -12.454 -16.428 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.291 -10.840 -16.452 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.196 -10.052 -14.786 1.00 0.00 N ATOM 1073 CA LYS A 69 -1.043 -9.167 -14.682 1.00 0.00 C ATOM 1074 C LYS A 69 -0.363 -9.317 -13.325 1.00 0.00 C ATOM 1075 O LYS A 69 0.814 -8.990 -13.169 1.00 0.00 O ATOM 1076 CB LYS A 69 -1.468 -7.713 -14.892 1.00 0.00 C ATOM 1077 CG LYS A 69 -0.312 -6.727 -14.842 1.00 0.00 C ATOM 1078 CD LYS A 69 -0.734 -5.346 -15.318 1.00 0.00 C ATOM 1079 CE LYS A 69 -1.868 -4.788 -14.474 1.00 0.00 C ATOM 1080 NZ LYS A 69 -2.916 -4.140 -15.309 1.00 0.00 N ATOM 0 H LYS A 69 -3.097 -9.580 -14.716 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.332 -9.447 -15.459 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.968 -7.625 -15.857 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.198 -7.443 -14.129 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.067 -6.661 -13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.506 -7.092 -15.463 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.119 -4.669 -15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.047 -5.399 -16.361 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.315 -5.592 -13.890 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.469 -4.063 -13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.354 -3.363 -14.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.484 -3.763 -16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.643 -4.841 -15.560 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.112 -9.811 -12.345 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.564 -9.991 -11.013 1.00 0.00 C ATOM 1096 C GLY A 70 -0.111 -8.683 -10.397 1.00 0.00 C ATOM 1097 O GLY A 70 1.073 -8.497 -10.123 1.00 0.00 O ATOM 0 H GLY A 70 -2.088 -10.090 -12.449 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.316 -10.451 -10.372 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.280 -10.680 -11.059 1.00 0.00 H new ATOM 1101 N ILE A 71 -1.056 -7.773 -10.183 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.740 -6.474 -9.599 1.00 0.00 C ATOM 1103 C ILE A 71 -1.954 -5.835 -8.933 1.00 0.00 C ATOM 1104 O ILE A 71 -3.032 -5.754 -9.520 1.00 0.00 O ATOM 1105 CB ILE A 71 -0.187 -5.502 -10.661 1.00 0.00 C ATOM 1106 CG1 ILE A 71 1.181 -5.976 -11.156 1.00 0.00 C ATOM 1107 CG2 ILE A 71 -0.096 -4.092 -10.091 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.905 -4.954 -12.006 1.00 0.00 C ATOM 0 H ILE A 71 -2.042 -7.910 -10.404 1.00 0.00 H new ATOM 0 HA ILE A 71 0.021 -6.659 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.871 -5.485 -11.510 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.802 -6.227 -10.296 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.052 -6.891 -11.734 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.296 -3.417 -10.852 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.088 -3.758 -9.786 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.569 -4.091 -9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.867 -5.359 -12.321 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.304 -4.720 -12.885 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.066 -4.046 -11.425 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.760 -5.373 -7.702 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.826 -4.726 -6.947 1.00 0.00 C ATOM 1122 C PHE A 72 -2.473 -3.267 -6.666 1.00 0.00 C ATOM 1123 O PHE A 72 -1.530 -2.980 -5.930 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.072 -5.463 -5.630 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.979 -4.719 -4.691 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -5.180 -4.192 -5.140 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.629 -4.544 -3.363 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -6.015 -3.504 -4.281 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.461 -3.856 -2.499 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.655 -3.336 -2.958 1.00 0.00 C ATOM 0 H PHE A 72 -0.871 -5.435 -7.205 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.736 -4.760 -7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.505 -6.440 -5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.116 -5.639 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.466 -4.321 -6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.697 -4.949 -2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.948 -3.098 -4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.177 -3.725 -1.465 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.306 -2.799 -2.284 1.00 0.00 H new ATOM 1140 N THR A 73 -3.233 -2.351 -7.257 1.00 0.00 N ATOM 1141 CA THR A 73 -2.993 -0.924 -7.067 1.00 0.00 C ATOM 1142 C THR A 73 -4.185 -0.249 -6.401 1.00 0.00 C ATOM 1143 O THR A 73 -5.334 -0.482 -6.778 1.00 0.00 O ATOM 1144 CB THR A 73 -2.698 -0.218 -8.404 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.561 -1.161 -9.474 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.419 0.597 -8.311 1.00 0.00 C ATOM 0 H THR A 73 -4.018 -2.570 -7.870 1.00 0.00 H new ATOM 0 HA THR A 73 -2.121 -0.836 -6.419 1.00 0.00 H new ATOM 0 HB THR A 73 -3.543 0.439 -8.611 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.376 -0.683 -10.309 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.230 1.087 -9.266 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.524 1.351 -7.531 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.585 -0.062 -8.069 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.907 0.579 -5.398 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.968 1.272 -4.677 1.00 0.00 C ATOM 1156 C ILE A 74 -4.614 2.725 -4.375 1.00 0.00 C ATOM 1157 O ILE A 74 -3.660 3.004 -3.648 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.276 0.560 -3.347 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.631 1.008 -2.802 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.172 0.833 -2.336 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.750 0.034 -3.098 1.00 0.00 C ATOM 0 H ILE A 74 -2.964 0.785 -5.069 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.841 1.255 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.320 -0.514 -3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.553 1.144 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.883 1.979 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.402 0.324 -1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.223 0.465 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.099 1.906 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.683 0.415 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.854 -0.084 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.520 -0.932 -2.648 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.402 3.647 -4.924 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.189 5.072 -4.702 1.00 0.00 C ATOM 1175 C ARG A 75 -5.990 5.541 -3.495 1.00 0.00 C ATOM 1176 O ARG A 75 -7.106 5.078 -3.263 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.587 5.871 -5.946 1.00 0.00 C ATOM 1178 CG ARG A 75 -4.997 5.320 -7.234 1.00 0.00 C ATOM 1179 CD ARG A 75 -6.051 5.197 -8.325 1.00 0.00 C ATOM 1180 NE ARG A 75 -6.562 3.834 -8.440 1.00 0.00 N ATOM 1181 CZ ARG A 75 -7.038 3.317 -9.570 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -7.085 4.052 -10.672 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -7.470 2.064 -9.596 1.00 0.00 N ATOM 0 H ARG A 75 -6.195 3.430 -5.527 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.130 5.240 -4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.674 5.882 -6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.266 6.905 -5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.194 5.973 -7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.554 4.342 -7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.876 5.877 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.623 5.506 -9.279 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.554 3.245 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.756 5.017 -10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.450 3.652 -11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.438 1.496 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.835 1.668 -10.462 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.407 6.443 -2.717 1.00 0.00 N ATOM 1198 CA LEU A 76 -6.067 6.947 -1.522 1.00 0.00 C ATOM 1199 C LEU A 76 -5.961 8.467 -1.419 1.00 0.00 C ATOM 1200 O LEU A 76 -4.962 9.060 -1.823 1.00 0.00 O ATOM 1201 CB LEU A 76 -5.450 6.290 -0.290 1.00 0.00 C ATOM 1202 CG LEU A 76 -5.477 4.759 -0.292 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -4.065 4.197 -0.302 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -6.252 4.239 0.909 1.00 0.00 C ATOM 0 H LEU A 76 -4.483 6.839 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.126 6.697 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.415 6.620 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.976 6.647 0.595 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.982 4.426 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.107 3.108 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.543 4.541 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.531 4.539 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.261 3.149 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.775 4.584 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.276 4.611 0.870 1.00 0.00 H new ATOM 1216 N PRO A 77 -7.003 9.119 -0.872 1.00 0.00 N ATOM 1217 CA PRO A 77 -7.034 10.575 -0.713 1.00 0.00 C ATOM 1218 C PRO A 77 -6.114 11.059 0.407 1.00 0.00 C ATOM 1219 O PRO A 77 -5.859 10.343 1.376 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.498 10.865 -0.382 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.998 9.616 0.258 1.00 0.00 C ATOM 1222 CD PRO A 77 -8.233 8.478 -0.369 1.00 0.00 C ATOM 0 HA PRO A 77 -6.679 11.092 -1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.590 11.718 0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.067 11.104 -1.280 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.840 9.642 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.070 9.499 0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.009 7.697 0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.799 8.011 -1.175 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.615 12.282 0.271 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.715 12.853 1.265 1.00 0.00 C ATOM 1232 C LYS A 78 -5.464 13.716 2.274 1.00 0.00 C ATOM 1233 O LYS A 78 -6.544 14.234 1.990 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.634 13.685 0.576 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.221 13.242 0.916 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.203 14.312 0.558 1.00 0.00 C ATOM 1237 CE LYS A 78 -1.530 14.967 -0.775 1.00 0.00 C ATOM 1238 NZ LYS A 78 -1.650 13.966 -1.870 1.00 0.00 N ATOM 0 H LYS A 78 -5.818 12.897 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.254 12.027 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.775 13.627 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.756 14.731 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.155 13.017 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.988 12.322 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.179 15.070 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.208 13.869 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.464 15.523 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.752 15.688 -1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.981 14.202 -2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.433 13.019 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.620 13.977 -2.246 1.00 0.00 H new ATOM 1252 N GLU A 79 -4.865 13.878 3.449 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.450 14.691 4.506 1.00 0.00 C ATOM 1254 C GLU A 79 -5.014 16.147 4.357 1.00 0.00 C ATOM 1255 O GLU A 79 -5.487 17.026 5.079 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.030 14.159 5.879 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.177 15.176 6.999 1.00 0.00 C ATOM 1258 CD GLU A 79 -4.962 14.567 8.372 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -5.838 13.799 8.823 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -3.920 14.859 8.995 1.00 0.00 O ATOM 0 H GLU A 79 -3.970 13.454 3.693 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.536 14.637 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.629 13.280 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.991 13.833 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.461 15.984 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.172 15.619 6.954 1.00 0.00 H new ATOM 1267 N THR A 80 -4.108 16.390 3.411 1.00 0.00 N ATOM 1268 CA THR A 80 -3.601 17.731 3.152 1.00 0.00 C ATOM 1269 C THR A 80 -3.000 17.809 1.751 1.00 0.00 C ATOM 1270 O THR A 80 -1.843 17.447 1.543 1.00 0.00 O ATOM 1271 CB THR A 80 -2.531 18.136 4.182 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.021 18.008 5.523 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.089 19.575 3.966 1.00 0.00 C ATOM 0 H THR A 80 -3.710 15.669 2.809 1.00 0.00 H new ATOM 0 HA THR A 80 -4.442 18.419 3.233 1.00 0.00 H new ATOM 0 HB THR A 80 -1.685 17.463 4.041 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.001 18.015 5.515 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.333 19.838 4.706 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.670 19.681 2.965 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.947 20.239 4.072 1.00 0.00 H new ATOM 1281 N PRO A 81 -3.786 18.278 0.768 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.330 18.394 -0.620 1.00 0.00 C ATOM 1283 C PRO A 81 -2.034 19.188 -0.744 1.00 0.00 C ATOM 1284 O PRO A 81 -1.692 19.980 0.134 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.479 19.123 -1.333 1.00 0.00 C ATOM 1286 CG PRO A 81 -5.374 19.632 -0.252 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.175 18.724 0.928 1.00 0.00 C ATOM 0 HA PRO A 81 -3.107 17.417 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.102 19.942 -1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.016 18.448 -1.999 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.126 20.662 0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.415 19.626 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.325 19.249 1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.872 17.886 0.915 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.313 18.965 -1.839 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.059 19.663 -2.059 1.00 0.00 C ATOM 1297 C GLY A 82 1.101 19.006 -1.339 1.00 0.00 C ATOM 1298 O GLY A 82 2.254 19.400 -1.514 1.00 0.00 O ATOM 0 H GLY A 82 -1.575 18.313 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.152 19.697 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.156 20.695 -1.720 1.00 0.00 H new ATOM 1302 N GLN A 83 0.794 18.000 -0.527 1.00 0.00 N ATOM 1303 CA GLN A 83 1.817 17.281 0.224 1.00 0.00 C ATOM 1304 C GLN A 83 2.436 16.176 -0.625 1.00 0.00 C ATOM 1305 O GLN A 83 1.741 15.503 -1.386 1.00 0.00 O ATOM 1306 CB GLN A 83 1.215 16.690 1.500 1.00 0.00 C ATOM 1307 CG GLN A 83 2.151 15.747 2.236 1.00 0.00 C ATOM 1308 CD GLN A 83 1.685 15.455 3.649 1.00 0.00 C ATOM 1309 OE1 GLN A 83 0.525 15.109 3.874 1.00 0.00 O ATOM 1310 NE2 GLN A 83 2.590 15.592 4.611 1.00 0.00 N ATOM 0 H GLN A 83 -0.156 17.664 -0.372 1.00 0.00 H new ATOM 0 HA GLN A 83 2.603 17.986 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.933 17.503 2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.300 16.155 1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.229 14.812 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.150 16.183 2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.540 15.881 4.380 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.335 15.408 5.581 1.00 0.00 H new ATOM 1319 N HIS A 84 3.747 15.997 -0.494 1.00 0.00 N ATOM 1320 CA HIS A 84 4.457 14.974 -1.255 1.00 0.00 C ATOM 1321 C HIS A 84 5.221 14.029 -0.334 1.00 0.00 C ATOM 1322 O HIS A 84 6.140 14.442 0.374 1.00 0.00 O ATOM 1323 CB HIS A 84 5.423 15.631 -2.243 1.00 0.00 C ATOM 1324 CG HIS A 84 6.297 14.654 -2.968 1.00 0.00 C ATOM 1325 ND1 HIS A 84 7.448 15.024 -3.633 1.00 0.00 N ATOM 1326 CD2 HIS A 84 6.185 13.314 -3.130 1.00 0.00 C ATOM 1327 CE1 HIS A 84 8.005 13.954 -4.172 1.00 0.00 C ATOM 1328 NE2 HIS A 84 7.259 12.905 -3.882 1.00 0.00 N ATOM 0 H HIS A 84 4.338 16.546 0.130 1.00 0.00 H new ATOM 0 HA HIS A 84 3.718 14.390 -1.804 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.850 16.203 -2.972 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.053 16.340 -1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.398 12.685 -2.741 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.916 13.940 -4.752 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.449 11.945 -4.170 1.00 0.00 H new ATOM 1337 N PHE A 85 4.840 12.754 -0.355 1.00 0.00 N ATOM 1338 CA PHE A 85 5.491 11.745 0.469 1.00 0.00 C ATOM 1339 C PHE A 85 6.880 11.423 -0.080 1.00 0.00 C ATOM 1340 O PHE A 85 7.029 10.574 -0.958 1.00 0.00 O ATOM 1341 CB PHE A 85 4.637 10.479 0.515 1.00 0.00 C ATOM 1342 CG PHE A 85 3.303 10.676 1.179 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.923 11.926 1.641 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.429 9.612 1.337 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.696 12.110 2.251 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.201 9.791 1.945 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.834 11.041 2.403 1.00 0.00 C ATOM 0 H PHE A 85 4.082 12.397 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 85 5.600 12.137 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.478 10.121 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.185 9.700 1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.592 12.765 1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.711 8.632 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.412 13.089 2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.529 8.954 2.062 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.125 11.183 2.879 1.00 0.00 H new ATOM 1357 N GLU A 86 7.889 12.120 0.431 1.00 0.00 N ATOM 1358 CA GLU A 86 9.265 11.927 -0.018 1.00 0.00 C ATOM 1359 C GLU A 86 9.843 10.598 0.469 1.00 0.00 C ATOM 1360 O GLU A 86 9.225 9.882 1.256 1.00 0.00 O ATOM 1361 CB GLU A 86 10.145 13.081 0.464 1.00 0.00 C ATOM 1362 CG GLU A 86 10.338 14.172 -0.578 1.00 0.00 C ATOM 1363 CD GLU A 86 11.299 15.254 -0.123 1.00 0.00 C ATOM 1364 OE1 GLU A 86 12.301 14.917 0.542 1.00 0.00 O ATOM 1365 OE2 GLU A 86 11.049 16.438 -0.433 1.00 0.00 O ATOM 0 H GLU A 86 7.780 12.826 1.159 1.00 0.00 H new ATOM 0 HA GLU A 86 9.252 11.907 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.700 13.518 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.120 12.688 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.710 13.726 -1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.373 14.623 -0.809 1.00 0.00 H new ATOM 1372 N GLY A 87 11.047 10.292 -0.009 1.00 0.00 N ATOM 1373 CA GLY A 87 11.731 9.068 0.373 1.00 0.00 C ATOM 1374 C GLY A 87 10.800 7.884 0.565 1.00 0.00 C ATOM 1375 O GLY A 87 10.983 7.094 1.491 1.00 0.00 O ATOM 0 H GLY A 87 11.566 10.879 -0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.467 8.820 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.279 9.242 1.299 1.00 0.00 H new ATOM 1379 N LEU A 88 9.804 7.753 -0.305 1.00 0.00 N ATOM 1380 CA LEU A 88 8.858 6.648 -0.206 1.00 0.00 C ATOM 1381 C LEU A 88 9.573 5.307 -0.338 1.00 0.00 C ATOM 1382 O LEU A 88 9.577 4.506 0.596 1.00 0.00 O ATOM 1383 CB LEU A 88 7.798 6.769 -1.294 1.00 0.00 C ATOM 1384 CG LEU A 88 6.628 7.697 -0.966 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.984 8.212 -2.243 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.604 6.976 -0.104 1.00 0.00 C ATOM 0 H LEU A 88 9.632 8.393 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 88 8.382 6.695 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.277 7.124 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.404 5.775 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 88 7.010 8.550 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.153 8.871 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.722 8.764 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.615 7.371 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.778 7.651 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.226 6.105 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.073 6.655 0.826 1.00 0.00 H new ATOM 1398 N ASN A 89 10.183 5.065 -1.499 1.00 0.00 N ATOM 1399 CA ASN A 89 10.902 3.819 -1.737 1.00 0.00 C ATOM 1400 C ASN A 89 12.346 3.933 -1.263 1.00 0.00 C ATOM 1401 O ASN A 89 13.195 3.110 -1.607 1.00 0.00 O ATOM 1402 CB ASN A 89 10.867 3.457 -3.223 1.00 0.00 C ATOM 1403 CG ASN A 89 10.645 1.974 -3.451 1.00 0.00 C ATOM 1404 OD1 ASN A 89 9.753 1.370 -2.857 1.00 0.00 O ATOM 1405 ND2 ASN A 89 11.458 1.380 -4.316 1.00 0.00 N ATOM 0 H ASN A 89 10.192 5.715 -2.285 1.00 0.00 H new ATOM 0 HA ASN A 89 10.410 3.029 -1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.073 4.020 -3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.805 3.757 -3.690 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.356 0.384 -4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.185 1.920 -4.786 1.00 0.00 H new ATOM 1412 N MET A 90 12.606 4.947 -0.448 1.00 0.00 N ATOM 1413 CA MET A 90 13.932 5.167 0.110 1.00 0.00 C ATOM 1414 C MET A 90 13.872 5.002 1.621 1.00 0.00 C ATOM 1415 O MET A 90 14.829 4.553 2.253 1.00 0.00 O ATOM 1416 CB MET A 90 14.443 6.565 -0.247 1.00 0.00 C ATOM 1417 CG MET A 90 14.151 6.971 -1.682 1.00 0.00 C ATOM 1418 SD MET A 90 15.640 7.434 -2.588 1.00 0.00 S ATOM 1419 CE MET A 90 15.897 9.101 -1.988 1.00 0.00 C ATOM 0 H MET A 90 11.910 5.634 -0.158 1.00 0.00 H new ATOM 0 HA MET A 90 14.622 4.436 -0.311 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.989 7.292 0.427 1.00 0.00 H new ATOM 0 HB3 MET A 90 15.519 6.603 -0.079 1.00 0.00 H new ATOM 0 HG2 MET A 90 13.659 6.145 -2.196 1.00 0.00 H new ATOM 0 HG3 MET A 90 13.454 7.809 -1.684 1.00 0.00 H new ATOM 0 HE1 MET A 90 16.785 9.524 -2.458 1.00 0.00 H new ATOM 0 HE2 MET A 90 15.030 9.714 -2.233 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.033 9.082 -0.907 1.00 0.00 H new ATOM 1429 N LEU A 91 12.724 5.358 2.187 1.00 0.00 N ATOM 1430 CA LEU A 91 12.494 5.247 3.617 1.00 0.00 C ATOM 1431 C LEU A 91 12.963 3.886 4.130 1.00 0.00 C ATOM 1432 O LEU A 91 13.413 3.047 3.351 1.00 0.00 O ATOM 1433 CB LEU A 91 11.004 5.457 3.908 1.00 0.00 C ATOM 1434 CG LEU A 91 10.662 6.782 4.591 1.00 0.00 C ATOM 1435 CD1 LEU A 91 9.184 6.837 4.944 1.00 0.00 C ATOM 1436 CD2 LEU A 91 11.515 6.977 5.834 1.00 0.00 C ATOM 0 H LEU A 91 11.930 5.731 1.666 1.00 0.00 H new ATOM 0 HA LEU A 91 13.068 6.014 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.453 5.396 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.653 4.639 4.537 1.00 0.00 H new ATOM 0 HG LEU A 91 10.878 7.592 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.961 7.787 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.589 6.745 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.941 6.018 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.258 7.925 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 91 11.331 6.161 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.569 6.985 5.555 1.00 0.00 H new ATOM 1448 N THR A 92 12.863 3.667 5.440 1.00 0.00 N ATOM 1449 CA THR A 92 13.289 2.402 6.030 1.00 0.00 C ATOM 1450 C THR A 92 12.279 1.894 7.055 1.00 0.00 C ATOM 1451 O THR A 92 11.290 2.562 7.354 1.00 0.00 O ATOM 1452 CB THR A 92 14.665 2.532 6.711 1.00 0.00 C ATOM 1453 OG1 THR A 92 14.797 3.788 7.388 1.00 0.00 O ATOM 1454 CG2 THR A 92 15.788 2.412 5.693 1.00 0.00 C ATOM 0 H THR A 92 12.494 4.344 6.107 1.00 0.00 H new ATOM 0 HA THR A 92 13.359 1.687 5.210 1.00 0.00 H new ATOM 0 HB THR A 92 14.736 1.722 7.437 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.679 3.840 7.811 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.749 2.507 6.198 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.731 1.441 5.201 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.690 3.202 4.948 1.00 0.00 H new ATOM 1462 N ALA A 93 12.540 0.704 7.590 1.00 0.00 N ATOM 1463 CA ALA A 93 11.660 0.098 8.582 1.00 0.00 C ATOM 1464 C ALA A 93 12.254 0.204 9.983 1.00 0.00 C ATOM 1465 O ALA A 93 13.426 -0.108 10.197 1.00 0.00 O ATOM 1466 CB ALA A 93 11.383 -1.358 8.241 1.00 0.00 C ATOM 0 H ALA A 93 13.356 0.140 7.352 1.00 0.00 H new ATOM 0 HA ALA A 93 10.718 0.647 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.724 -1.789 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.904 -1.418 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.322 -1.912 8.220 1.00 0.00 H new ATOM 1472 N LEU A 94 11.436 0.638 10.937 1.00 0.00 N ATOM 1473 CA LEU A 94 11.880 0.776 12.319 1.00 0.00 C ATOM 1474 C LEU A 94 11.314 -0.349 13.179 1.00 0.00 C ATOM 1475 O LEU A 94 10.111 -0.606 13.168 1.00 0.00 O ATOM 1476 CB LEU A 94 11.458 2.136 12.883 1.00 0.00 C ATOM 1477 CG LEU A 94 10.021 2.556 12.567 1.00 0.00 C ATOM 1478 CD1 LEU A 94 9.521 3.558 13.595 1.00 0.00 C ATOM 1479 CD2 LEU A 94 9.936 3.141 11.166 1.00 0.00 C ATOM 0 H LEU A 94 10.463 0.900 10.778 1.00 0.00 H new ATOM 0 HA LEU A 94 12.968 0.712 12.337 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.584 2.117 13.966 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.135 2.898 12.496 1.00 0.00 H new ATOM 0 HG LEU A 94 9.384 1.672 12.611 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.497 3.846 13.355 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.548 3.106 14.587 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.159 4.442 13.582 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.908 3.435 10.956 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.584 4.014 11.096 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.255 2.394 10.440 1.00 0.00 H new ATOM 1491 N LEU A 95 12.190 -1.014 13.925 1.00 0.00 N ATOM 1492 CA LEU A 95 11.776 -2.109 14.795 1.00 0.00 C ATOM 1493 C LEU A 95 11.635 -1.636 16.238 1.00 0.00 C ATOM 1494 O LEU A 95 12.591 -1.143 16.836 1.00 0.00 O ATOM 1495 CB LEU A 95 12.778 -3.262 14.713 1.00 0.00 C ATOM 1496 CG LEU A 95 12.603 -4.181 13.503 1.00 0.00 C ATOM 1497 CD1 LEU A 95 12.304 -3.369 12.253 1.00 0.00 C ATOM 1498 CD2 LEU A 95 13.843 -5.038 13.301 1.00 0.00 C ATOM 0 H LEU A 95 13.190 -0.814 13.945 1.00 0.00 H new ATOM 0 HA LEU A 95 10.803 -2.462 14.455 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.786 -2.848 14.694 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.697 -3.860 15.620 1.00 0.00 H new ATOM 0 HG LEU A 95 11.756 -4.841 13.692 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.183 -4.041 11.403 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.386 -2.800 12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.129 -2.683 12.059 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.701 -5.686 12.436 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.707 -4.394 13.134 1.00 0.00 H new ATOM 0 HD23 LEU A 95 14.011 -5.649 14.188 1.00 0.00 H new ATOM 1510 N ALA A 96 10.438 -1.792 16.793 1.00 0.00 N ATOM 1511 CA ALA A 96 10.175 -1.381 18.166 1.00 0.00 C ATOM 1512 C ALA A 96 9.200 -2.337 18.844 1.00 0.00 C ATOM 1513 O ALA A 96 8.410 -2.983 18.125 1.00 0.00 O ATOM 1514 CB ALA A 96 9.638 0.041 18.216 1.00 0.00 C ATOM 1515 OXT ALA A 96 9.233 -2.430 20.089 1.00 0.00 O ATOM 0 H ALA A 96 9.636 -2.200 16.313 1.00 0.00 H new ATOM 0 HA ALA A 96 11.121 -1.411 18.707 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.450 0.323 19.252 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.370 0.722 17.782 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.708 0.099 17.650 1.00 0.00 H new TER 1521 ALA A 96