USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 75 TYR OH : rot -50:sc= 0.282 USER MOD Set 1.2: A 94 SER OG : rot 77:sc= 0.0724 USER MOD Set 2.1: A 41 TYR OH : rot -19:sc= 1.22 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.92 K(o=3.4,f=-7!) USER MOD Set 2.3: A 85 SER OG : rot -62:sc= 0.254 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.183) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.22 USER MOD Single : A 45 SER OG : rot 78:sc= 1.44 USER MOD Single : A 46 SER OG : rot 180:sc= 0.16 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.729 X(o=-0.73,f=-1.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -45:sc= 0.549 USER MOD Single : A 74 ASN : amide:sc= -0.0853 K(o=-0.085,f=-1.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.156 USER MOD Single : A 81 ASN : amide:sc= 0.284 X(o=0.28,f=-0.011) USER MOD Single : A 84 GLN : amide:sc= 0.67 K(o=0.67,f=-0.63) USER MOD Single : A 86 GLN : amide:sc= 0.191 K(o=0.19,f=-0.34) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 55:sc= 0.059 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 75:sc= 1.84 USER MOD Single : A 98 THR OG1 : rot -25:sc= 0.486 USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 3 -11.626 -6.933 -2.740 1.00 0.00 N ATOM 27 CA PRO A 3 -10.309 -6.357 -2.941 1.00 0.00 C ATOM 28 C PRO A 3 -9.986 -6.115 -4.416 1.00 0.00 C ATOM 29 O PRO A 3 -10.783 -6.417 -5.307 1.00 0.00 O ATOM 30 CB PRO A 3 -9.347 -7.410 -2.370 1.00 0.00 C ATOM 31 CG PRO A 3 -10.055 -8.713 -2.720 1.00 0.00 C ATOM 32 CD PRO A 3 -11.510 -8.353 -2.430 1.00 0.00 C ATOM 0 HA PRO A 3 -10.235 -5.381 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.359 -7.348 -2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.210 -7.297 -1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.902 -8.997 -3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.708 -9.546 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.191 -8.946 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.763 -8.550 -1.388 1.00 0.00 H new ATOM 40 N ILE A 4 -8.802 -5.564 -4.671 1.00 0.00 N ATOM 41 CA ILE A 4 -8.230 -5.379 -5.990 1.00 0.00 C ATOM 42 C ILE A 4 -7.102 -6.406 -5.978 1.00 0.00 C ATOM 43 O ILE A 4 -6.171 -6.294 -5.177 1.00 0.00 O ATOM 44 CB ILE A 4 -7.732 -3.943 -6.274 1.00 0.00 C ATOM 45 CG1 ILE A 4 -8.778 -2.834 -6.034 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.312 -3.851 -7.751 1.00 0.00 C ATOM 47 CD1 ILE A 4 -8.865 -2.387 -4.576 1.00 0.00 C ATOM 0 H ILE A 4 -8.193 -5.221 -3.928 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.957 -5.518 -6.790 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.913 -3.774 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.533 -1.973 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.756 -3.192 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.958 -2.843 -7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.513 -4.566 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.167 -4.079 -8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.619 -1.606 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.140 -3.236 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.898 -1.999 -4.256 1.00 0.00 H new ATOM 59 N ALA A 5 -7.200 -7.430 -6.821 1.00 0.00 N ATOM 60 CA ALA A 5 -6.172 -8.450 -6.907 1.00 0.00 C ATOM 61 C ALA A 5 -5.134 -7.849 -7.835 1.00 0.00 C ATOM 62 O ALA A 5 -5.400 -7.689 -9.030 1.00 0.00 O ATOM 63 CB ALA A 5 -6.750 -9.741 -7.484 1.00 0.00 C ATOM 0 H ALA A 5 -7.987 -7.571 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.752 -8.715 -5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.966 -10.496 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.553 -10.100 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.144 -9.549 -8.482 1.00 0.00 H new ATOM 69 N ILE A 6 -4.000 -7.426 -7.285 1.00 0.00 N ATOM 70 CA ILE A 6 -3.000 -6.720 -8.058 1.00 0.00 C ATOM 71 C ILE A 6 -1.925 -7.721 -8.465 1.00 0.00 C ATOM 72 O ILE A 6 -1.638 -8.682 -7.765 1.00 0.00 O ATOM 73 CB ILE A 6 -2.526 -5.457 -7.296 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.213 -5.550 -5.785 1.00 0.00 C ATOM 75 CG2 ILE A 6 -3.621 -4.382 -7.421 1.00 0.00 C ATOM 76 CD1 ILE A 6 -0.887 -6.222 -5.446 1.00 0.00 C ATOM 0 H ILE A 6 -3.756 -7.563 -6.304 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.394 -6.315 -8.990 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.568 -5.249 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.212 -4.544 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.018 -6.098 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.309 -3.482 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.781 -4.147 -8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.549 -4.755 -6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.755 -6.241 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.888 -7.242 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.069 -5.664 -5.902 1.00 0.00 H new ATOM 88 N THR A 7 -1.244 -7.453 -9.570 1.00 0.00 N ATOM 89 CA THR A 7 -0.284 -8.379 -10.170 1.00 0.00 C ATOM 90 C THR A 7 1.103 -8.261 -9.506 1.00 0.00 C ATOM 91 O THR A 7 2.132 -8.570 -10.108 1.00 0.00 O ATOM 92 CB THR A 7 -0.318 -8.029 -11.674 1.00 0.00 C ATOM 93 OG1 THR A 7 0.143 -9.017 -12.560 1.00 0.00 O ATOM 94 CG2 THR A 7 0.448 -6.753 -12.032 1.00 0.00 C ATOM 0 H THR A 7 -1.341 -6.577 -10.084 1.00 0.00 H new ATOM 0 HA THR A 7 -0.532 -9.430 -10.021 1.00 0.00 H new ATOM 0 HB THR A 7 -1.392 -7.907 -11.812 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.074 -8.688 -13.481 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.377 -6.575 -13.105 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.018 -5.908 -11.495 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.495 -6.866 -11.751 1.00 0.00 H new ATOM 102 N CYS A 8 1.155 -7.733 -8.279 1.00 0.00 N ATOM 103 CA CYS A 8 2.365 -7.416 -7.530 1.00 0.00 C ATOM 104 C CYS A 8 3.330 -6.454 -8.264 1.00 0.00 C ATOM 105 O CYS A 8 4.436 -6.211 -7.787 1.00 0.00 O ATOM 106 CB CYS A 8 3.014 -8.726 -7.069 1.00 0.00 C ATOM 107 SG CYS A 8 2.089 -9.695 -5.832 1.00 0.00 S ATOM 0 H CYS A 8 0.308 -7.505 -7.759 1.00 0.00 H new ATOM 0 HA CYS A 8 2.087 -6.838 -6.649 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.175 -9.354 -7.945 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.996 -8.495 -6.657 1.00 0.00 H new ATOM 112 N PHE A 9 2.888 -5.794 -9.340 1.00 0.00 N ATOM 113 CA PHE A 9 3.624 -4.748 -10.064 1.00 0.00 C ATOM 114 C PHE A 9 2.863 -3.418 -9.972 1.00 0.00 C ATOM 115 O PHE A 9 3.385 -2.346 -10.278 1.00 0.00 O ATOM 116 CB PHE A 9 3.809 -5.155 -11.534 1.00 0.00 C ATOM 117 CG PHE A 9 4.767 -4.266 -12.307 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.139 -4.564 -12.311 1.00 0.00 C ATOM 119 CD2 PHE A 9 4.307 -3.121 -12.986 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.044 -3.731 -12.985 1.00 0.00 C ATOM 121 CE2 PHE A 9 5.226 -2.246 -13.593 1.00 0.00 C ATOM 122 CZ PHE A 9 6.597 -2.550 -13.595 1.00 0.00 C ATOM 0 H PHE A 9 1.972 -5.980 -9.748 1.00 0.00 H new ATOM 0 HA PHE A 9 4.607 -4.624 -9.610 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.172 -6.182 -11.573 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.838 -5.141 -12.029 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.500 -5.440 -11.792 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.248 -2.915 -13.041 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.089 -4.000 -13.034 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.876 -1.337 -14.059 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.302 -1.879 -14.063 1.00 0.00 H new ATOM 132 N THR A 10 1.593 -3.484 -9.583 1.00 0.00 N ATOM 133 CA THR A 10 0.678 -2.370 -9.498 1.00 0.00 C ATOM 134 C THR A 10 1.185 -1.394 -8.437 1.00 0.00 C ATOM 135 O THR A 10 1.290 -1.730 -7.257 1.00 0.00 O ATOM 136 CB THR A 10 -0.711 -2.942 -9.191 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.972 -4.027 -10.075 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.816 -1.913 -9.352 1.00 0.00 C ATOM 0 H THR A 10 1.160 -4.365 -9.306 1.00 0.00 H new ATOM 0 HA THR A 10 0.612 -1.807 -10.429 1.00 0.00 H new ATOM 0 HB THR A 10 -0.705 -3.266 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.858 -4.399 -9.883 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.777 -2.372 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.640 -1.080 -8.671 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.825 -1.547 -10.379 1.00 0.00 H new ATOM 146 N ARG A 11 1.568 -0.197 -8.867 1.00 0.00 N ATOM 147 CA ARG A 11 1.953 0.889 -7.982 1.00 0.00 C ATOM 148 C ARG A 11 0.683 1.538 -7.427 1.00 0.00 C ATOM 149 O ARG A 11 -0.418 1.304 -7.933 1.00 0.00 O ATOM 150 CB ARG A 11 2.834 1.853 -8.797 1.00 0.00 C ATOM 151 CG ARG A 11 4.210 1.216 -9.079 1.00 0.00 C ATOM 152 CD ARG A 11 5.015 1.952 -10.156 1.00 0.00 C ATOM 153 NE ARG A 11 4.439 1.695 -11.483 1.00 0.00 N ATOM 154 CZ ARG A 11 5.048 1.795 -12.671 1.00 0.00 C ATOM 155 NH1 ARG A 11 6.317 2.177 -12.780 1.00 0.00 N ATOM 156 NH2 ARG A 11 4.371 1.498 -13.773 1.00 0.00 N ATOM 0 H ARG A 11 1.620 0.047 -9.856 1.00 0.00 H new ATOM 0 HA ARG A 11 2.532 0.553 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.341 2.100 -9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.964 2.787 -8.251 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.788 1.195 -8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.066 0.181 -9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.015 3.023 -9.952 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.054 1.623 -10.132 1.00 0.00 H new ATOM 0 HE ARG A 11 3.461 1.407 -11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.855 2.404 -11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.752 2.243 -13.700 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.398 1.198 -13.709 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.823 1.570 -14.684 1.00 0.00 H new ATOM 170 N GLY A 12 0.829 2.408 -6.430 1.00 0.00 N ATOM 171 CA GLY A 12 -0.256 3.207 -5.860 1.00 0.00 C ATOM 172 C GLY A 12 -0.908 4.165 -6.867 1.00 0.00 C ATOM 173 O GLY A 12 -1.910 4.795 -6.541 1.00 0.00 O ATOM 0 H GLY A 12 1.729 2.582 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.019 2.538 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.131 3.784 -5.020 1.00 0.00 H new ATOM 177 N LEU A 13 -0.421 4.218 -8.109 1.00 0.00 N ATOM 178 CA LEU A 13 -0.944 5.057 -9.177 1.00 0.00 C ATOM 179 C LEU A 13 -2.329 4.521 -9.547 1.00 0.00 C ATOM 180 O LEU A 13 -3.270 5.284 -9.772 1.00 0.00 O ATOM 181 CB LEU A 13 -0.007 4.947 -10.403 1.00 0.00 C ATOM 182 CG LEU A 13 1.479 5.302 -10.166 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.325 4.913 -11.383 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.692 6.790 -9.872 1.00 0.00 C ATOM 0 H LEU A 13 0.377 3.656 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.007 6.099 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.058 3.926 -10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.393 5.598 -11.188 1.00 0.00 H new ATOM 0 HG LEU A 13 1.792 4.736 -9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.368 5.170 -11.198 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.241 3.840 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.969 5.452 -12.261 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.753 6.981 -9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.338 7.382 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.136 7.067 -8.976 1.00 0.00 H new ATOM 196 N ASP A 14 -2.461 3.199 -9.577 1.00 0.00 N ATOM 197 CA ASP A 14 -3.690 2.481 -9.870 1.00 0.00 C ATOM 198 C ASP A 14 -4.666 2.483 -8.699 1.00 0.00 C ATOM 199 O ASP A 14 -5.853 2.228 -8.907 1.00 0.00 O ATOM 200 CB ASP A 14 -3.354 1.018 -10.175 1.00 0.00 C ATOM 201 CG ASP A 14 -2.596 0.826 -11.484 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.466 1.340 -11.636 1.00 0.00 O ATOM 203 OD2 ASP A 14 -3.127 0.145 -12.393 1.00 0.00 O ATOM 0 H ASP A 14 -1.677 2.574 -9.389 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.156 2.986 -10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.758 0.613 -9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.278 0.442 -10.212 1.00 0.00 H new ATOM 208 N ILE A 15 -4.188 2.688 -7.467 1.00 0.00 N ATOM 209 CA ILE A 15 -5.001 2.578 -6.261 1.00 0.00 C ATOM 210 C ILE A 15 -4.887 3.855 -5.431 1.00 0.00 C ATOM 211 O ILE A 15 -4.021 3.998 -4.567 1.00 0.00 O ATOM 212 CB ILE A 15 -4.680 1.256 -5.523 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.007 0.064 -6.463 1.00 0.00 C ATOM 214 CG2 ILE A 15 -5.470 1.138 -4.209 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.035 -1.319 -5.811 1.00 0.00 C ATOM 0 H ILE A 15 -3.216 2.937 -7.282 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.061 2.506 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.621 1.245 -5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.978 0.246 -6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.271 0.049 -7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.220 0.198 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.212 1.970 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.538 1.162 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.273 -2.071 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.059 -1.536 -5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.793 -1.337 -5.027 1.00 0.00 H new ATOM 227 N ARG A 16 -5.834 4.765 -5.654 1.00 0.00 N ATOM 228 CA ARG A 16 -6.022 6.008 -4.914 1.00 0.00 C ATOM 229 C ARG A 16 -7.417 6.067 -4.293 1.00 0.00 C ATOM 230 O ARG A 16 -7.951 7.160 -4.065 1.00 0.00 O ATOM 231 CB ARG A 16 -5.770 7.209 -5.838 1.00 0.00 C ATOM 232 CG ARG A 16 -4.346 7.318 -6.410 1.00 0.00 C ATOM 233 CD ARG A 16 -4.198 8.600 -7.238 1.00 0.00 C ATOM 234 NE ARG A 16 -4.470 9.796 -6.418 1.00 0.00 N ATOM 235 CZ ARG A 16 -4.778 11.019 -6.855 1.00 0.00 C ATOM 236 NH1 ARG A 16 -4.837 11.303 -8.149 1.00 0.00 N ATOM 237 NH2 ARG A 16 -5.029 11.978 -5.973 1.00 0.00 N ATOM 0 H ARG A 16 -6.526 4.647 -6.394 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.301 6.045 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.474 7.160 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.992 8.122 -5.286 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.620 7.317 -5.597 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.130 6.449 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.190 8.658 -7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.885 8.571 -8.084 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.417 9.675 -5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.644 10.578 -8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.075 12.247 -8.454 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.985 11.776 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.266 12.917 -6.294 1.00 0.00 H new ATOM 251 N LYS A 17 -8.032 4.914 -4.030 1.00 0.00 N ATOM 252 CA LYS A 17 -9.338 4.855 -3.389 1.00 0.00 C ATOM 253 C LYS A 17 -9.158 5.203 -1.920 1.00 0.00 C ATOM 254 O LYS A 17 -8.076 4.997 -1.375 1.00 0.00 O ATOM 255 CB LYS A 17 -9.936 3.457 -3.564 1.00 0.00 C ATOM 256 CG LYS A 17 -10.387 3.266 -5.022 1.00 0.00 C ATOM 257 CD LYS A 17 -10.565 1.811 -5.450 1.00 0.00 C ATOM 258 CE LYS A 17 -11.608 1.129 -4.570 1.00 0.00 C ATOM 259 NZ LYS A 17 -12.096 -0.151 -5.134 1.00 0.00 N ATOM 0 H LYS A 17 -7.638 4.001 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.028 5.566 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.198 2.699 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.783 3.326 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.331 3.791 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.656 3.737 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.874 1.766 -6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.614 1.283 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.179 0.945 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.453 1.803 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.567 -0.702 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.772 0.043 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.292 -0.694 -5.510 1.00 0.00 H new ATOM 273 N GLU A 18 -10.231 5.692 -1.294 1.00 0.00 N ATOM 274 CA GLU A 18 -10.281 6.130 0.103 1.00 0.00 C ATOM 275 C GLU A 18 -9.578 5.102 0.984 1.00 0.00 C ATOM 276 O GLU A 18 -8.543 5.384 1.582 1.00 0.00 O ATOM 277 CB GLU A 18 -11.746 6.341 0.493 1.00 0.00 C ATOM 278 CG GLU A 18 -11.959 6.805 1.940 1.00 0.00 C ATOM 279 CD GLU A 18 -13.453 6.807 2.264 1.00 0.00 C ATOM 280 OE1 GLU A 18 -14.218 7.477 1.523 1.00 0.00 O ATOM 281 OE2 GLU A 18 -13.877 6.084 3.195 1.00 0.00 O ATOM 0 H GLU A 18 -11.128 5.798 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.757 7.076 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.185 7.078 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.287 5.407 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.429 6.144 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.546 7.804 2.077 1.00 0.00 H new ATOM 288 N LYS A 19 -10.124 3.893 1.004 1.00 0.00 N ATOM 289 CA LYS A 19 -9.601 2.700 1.644 1.00 0.00 C ATOM 290 C LYS A 19 -10.133 1.542 0.815 1.00 0.00 C ATOM 291 O LYS A 19 -11.213 1.674 0.225 1.00 0.00 O ATOM 292 CB LYS A 19 -10.034 2.621 3.115 1.00 0.00 C ATOM 293 CG LYS A 19 -11.544 2.836 3.307 1.00 0.00 C ATOM 294 CD LYS A 19 -12.023 2.506 4.717 1.00 0.00 C ATOM 295 CE LYS A 19 -12.009 0.999 5.002 1.00 0.00 C ATOM 296 NZ LYS A 19 -12.938 0.656 6.096 1.00 0.00 N ATOM 0 H LYS A 19 -11.012 3.711 0.536 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.511 2.690 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.757 1.647 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.490 3.370 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.788 3.874 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.086 2.218 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.388 3.016 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.034 2.889 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.287 0.453 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.999 0.685 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.909 -0.369 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.657 1.160 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.904 0.935 5.831 1.00 0.00 H new ATOM 310 N ALA A 20 -9.394 0.442 0.727 1.00 0.00 N ATOM 311 CA ALA A 20 -9.718 -0.687 -0.131 1.00 0.00 C ATOM 312 C ALA A 20 -8.700 -1.793 0.116 1.00 0.00 C ATOM 313 O ALA A 20 -7.522 -1.526 0.373 1.00 0.00 O ATOM 314 CB ALA A 20 -9.821 -0.300 -1.611 1.00 0.00 C ATOM 0 H ALA A 20 -8.536 0.309 1.262 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.712 -1.052 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.065 -1.183 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.603 0.449 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.869 0.110 -1.947 1.00 0.00 H new ATOM 320 N ASP A 21 -9.136 -3.036 -0.005 1.00 0.00 N ATOM 321 CA ASP A 21 -8.350 -4.217 0.325 1.00 0.00 C ATOM 322 C ASP A 21 -7.659 -4.650 -0.968 1.00 0.00 C ATOM 323 O ASP A 21 -8.177 -4.414 -2.062 1.00 0.00 O ATOM 324 CB ASP A 21 -9.290 -5.365 0.754 1.00 0.00 C ATOM 325 CG ASP A 21 -10.088 -5.163 2.045 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.448 -4.017 2.398 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.449 -6.169 2.697 1.00 0.00 O ATOM 0 H ASP A 21 -10.072 -3.259 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.646 -3.999 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.996 -5.545 -0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.692 -6.270 0.863 1.00 0.00 H new ATOM 332 N VAL A 22 -6.448 -5.193 -0.882 1.00 0.00 N ATOM 333 CA VAL A 22 -5.739 -5.744 -2.037 1.00 0.00 C ATOM 334 C VAL A 22 -5.152 -7.111 -1.698 1.00 0.00 C ATOM 335 O VAL A 22 -4.869 -7.394 -0.538 1.00 0.00 O ATOM 336 CB VAL A 22 -4.652 -4.772 -2.565 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.202 -3.368 -2.815 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.451 -4.615 -1.621 1.00 0.00 C ATOM 0 H VAL A 22 -5.928 -5.264 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.461 -5.873 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.324 -5.235 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.403 -2.725 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.000 -3.416 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.596 -2.960 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.733 -3.920 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.791 -4.229 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.975 -5.584 -1.474 1.00 0.00 H new ATOM 348 N LEU A 23 -4.960 -7.944 -2.714 1.00 0.00 N ATOM 349 CA LEU A 23 -4.288 -9.241 -2.650 1.00 0.00 C ATOM 350 C LEU A 23 -3.099 -9.125 -3.581 1.00 0.00 C ATOM 351 O LEU A 23 -3.198 -8.430 -4.597 1.00 0.00 O ATOM 352 CB LEU A 23 -5.183 -10.415 -3.090 1.00 0.00 C ATOM 353 CG LEU A 23 -6.175 -11.011 -2.072 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.443 -12.016 -1.181 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.920 -9.995 -1.207 1.00 0.00 C ATOM 0 H LEU A 23 -5.285 -7.723 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.009 -9.461 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.756 -10.087 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.530 -11.221 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.950 -11.493 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.142 -12.439 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.029 -12.814 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.636 -11.511 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.591 -10.519 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.202 -9.412 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.499 -9.328 -1.846 1.00 0.00 H new ATOM 367 N CYS A 24 -2.006 -9.815 -3.262 1.00 0.00 N ATOM 368 CA CYS A 24 -0.793 -9.800 -4.067 1.00 0.00 C ATOM 369 C CYS A 24 -0.461 -11.240 -4.483 1.00 0.00 C ATOM 370 O CYS A 24 0.425 -11.859 -3.886 1.00 0.00 O ATOM 371 CB CYS A 24 0.336 -9.099 -3.294 1.00 0.00 C ATOM 372 SG CYS A 24 1.724 -8.433 -4.263 1.00 0.00 S ATOM 0 H CYS A 24 -1.940 -10.403 -2.431 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.930 -9.225 -4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.103 -8.279 -2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.739 -9.807 -2.570 1.00 0.00 H new ATOM 377 N PRO A 25 -1.187 -11.800 -5.466 1.00 0.00 N ATOM 378 CA PRO A 25 -0.883 -13.102 -6.036 1.00 0.00 C ATOM 379 C PRO A 25 0.476 -13.084 -6.727 1.00 0.00 C ATOM 380 O PRO A 25 0.811 -12.164 -7.481 1.00 0.00 O ATOM 381 CB PRO A 25 -1.998 -13.397 -7.035 1.00 0.00 C ATOM 382 CG PRO A 25 -2.469 -11.988 -7.418 1.00 0.00 C ATOM 383 CD PRO A 25 -2.403 -11.289 -6.072 1.00 0.00 C ATOM 0 HA PRO A 25 -0.831 -13.871 -5.265 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.634 -13.954 -7.899 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.799 -13.987 -6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.818 -11.522 -8.158 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.476 -11.988 -7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.366 -10.206 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.278 -11.515 -5.462 1.00 0.00 H new ATOM 391 N GLY A 26 1.204 -14.176 -6.542 1.00 0.00 N ATOM 392 CA GLY A 26 2.581 -14.334 -6.992 1.00 0.00 C ATOM 393 C GLY A 26 3.516 -14.362 -5.785 1.00 0.00 C ATOM 394 O GLY A 26 3.104 -14.775 -4.694 1.00 0.00 O ATOM 0 H GLY A 26 0.843 -15.000 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.683 -15.256 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.853 -13.514 -7.656 1.00 0.00 H new ATOM 398 N GLY A 27 4.782 -13.989 -5.986 1.00 0.00 N ATOM 399 CA GLY A 27 5.847 -14.065 -4.989 1.00 0.00 C ATOM 400 C GLY A 27 6.680 -12.788 -4.849 1.00 0.00 C ATOM 401 O GLY A 27 7.600 -12.779 -4.034 1.00 0.00 O ATOM 0 H GLY A 27 5.103 -13.613 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.405 -14.303 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.511 -14.890 -5.248 1.00 0.00 H new ATOM 405 N CYS A 28 6.446 -11.777 -5.690 1.00 0.00 N ATOM 406 CA CYS A 28 7.006 -10.423 -5.669 1.00 0.00 C ATOM 407 C CYS A 28 8.411 -10.333 -5.028 1.00 0.00 C ATOM 408 O CYS A 28 8.539 -9.812 -3.917 1.00 0.00 O ATOM 409 CB CYS A 28 5.983 -9.481 -5.006 1.00 0.00 C ATOM 410 SG CYS A 28 6.204 -7.730 -5.432 1.00 0.00 S ATOM 0 H CYS A 28 5.803 -11.896 -6.472 1.00 0.00 H new ATOM 0 HA CYS A 28 7.177 -10.108 -6.698 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.979 -9.791 -5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.051 -9.592 -3.924 1.00 0.00 H new ATOM 415 N PRO A 29 9.473 -10.846 -5.667 1.00 0.00 N ATOM 416 CA PRO A 29 10.810 -10.879 -5.075 1.00 0.00 C ATOM 417 C PRO A 29 11.412 -9.469 -5.071 1.00 0.00 C ATOM 418 O PRO A 29 10.931 -8.610 -5.816 1.00 0.00 O ATOM 419 CB PRO A 29 11.590 -11.835 -5.976 1.00 0.00 C ATOM 420 CG PRO A 29 10.967 -11.592 -7.352 1.00 0.00 C ATOM 421 CD PRO A 29 9.496 -11.316 -7.039 1.00 0.00 C ATOM 0 HA PRO A 29 10.821 -11.210 -4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.657 -11.614 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.477 -12.872 -5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.434 -10.748 -7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.082 -12.459 -8.003 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.084 -10.568 -7.717 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.894 -12.217 -7.155 1.00 0.00 H new ATOM 429 N LEU A 30 12.468 -9.210 -4.285 1.00 0.00 N ATOM 430 CA LEU A 30 13.096 -7.881 -4.240 1.00 0.00 C ATOM 431 C LEU A 30 13.951 -7.631 -5.494 1.00 0.00 C ATOM 432 O LEU A 30 15.166 -7.437 -5.424 1.00 0.00 O ATOM 433 CB LEU A 30 13.939 -7.654 -2.967 1.00 0.00 C ATOM 434 CG LEU A 30 13.216 -7.655 -1.611 1.00 0.00 C ATOM 435 CD1 LEU A 30 14.222 -7.353 -0.497 1.00 0.00 C ATOM 436 CD2 LEU A 30 12.106 -6.606 -1.527 1.00 0.00 C ATOM 0 H LEU A 30 12.904 -9.901 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 30 12.278 -7.161 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.709 -8.425 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.450 -6.697 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 30 12.767 -8.642 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.710 -7.353 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.001 -8.115 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.672 -6.375 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.632 -6.655 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.531 -5.613 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.362 -6.801 -2.299 1.00 0.00 H new ATOM 448 N GLU A 31 13.308 -7.599 -6.654 1.00 0.00 N ATOM 449 CA GLU A 31 13.890 -7.247 -7.936 1.00 0.00 C ATOM 450 C GLU A 31 13.589 -5.767 -8.161 1.00 0.00 C ATOM 451 O GLU A 31 14.489 -4.977 -8.439 1.00 0.00 O ATOM 452 CB GLU A 31 13.292 -8.136 -9.035 1.00 0.00 C ATOM 453 CG GLU A 31 13.949 -7.866 -10.395 1.00 0.00 C ATOM 454 CD GLU A 31 13.387 -8.796 -11.466 1.00 0.00 C ATOM 455 OE1 GLU A 31 13.576 -10.032 -11.357 1.00 0.00 O ATOM 456 OE2 GLU A 31 12.736 -8.318 -12.422 1.00 0.00 O ATOM 0 H GLU A 31 12.317 -7.830 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 31 14.968 -7.408 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.423 -9.185 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.219 -7.957 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.782 -6.829 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.027 -8.005 -10.316 1.00 0.00 H new ATOM 463 N GLU A 32 12.324 -5.376 -7.976 1.00 0.00 N ATOM 464 CA GLU A 32 11.852 -4.017 -8.164 1.00 0.00 C ATOM 465 C GLU A 32 10.998 -3.590 -6.980 1.00 0.00 C ATOM 466 O GLU A 32 9.785 -3.805 -6.985 1.00 0.00 O ATOM 467 CB GLU A 32 10.996 -3.910 -9.432 1.00 0.00 C ATOM 468 CG GLU A 32 11.763 -3.914 -10.749 1.00 0.00 C ATOM 469 CD GLU A 32 10.758 -3.696 -11.877 1.00 0.00 C ATOM 470 OE1 GLU A 32 10.144 -2.598 -11.933 1.00 0.00 O ATOM 471 OE2 GLU A 32 10.548 -4.636 -12.684 1.00 0.00 O ATOM 0 H GLU A 32 11.588 -6.019 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 32 12.726 -3.372 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.289 -4.739 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.410 -2.992 -9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.518 -3.128 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.287 -4.860 -10.882 1.00 0.00 H new ATOM 478 N PHE A 33 11.605 -3.029 -5.934 1.00 0.00 N ATOM 479 CA PHE A 33 10.834 -2.460 -4.838 1.00 0.00 C ATOM 480 C PHE A 33 11.316 -1.026 -4.742 1.00 0.00 C ATOM 481 O PHE A 33 12.449 -0.744 -4.343 1.00 0.00 O ATOM 482 CB PHE A 33 10.991 -3.235 -3.521 1.00 0.00 C ATOM 483 CG PHE A 33 10.135 -4.485 -3.358 1.00 0.00 C ATOM 484 CD1 PHE A 33 10.075 -5.497 -4.334 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.356 -4.627 -2.193 1.00 0.00 C ATOM 486 CE1 PHE A 33 9.214 -6.592 -4.162 1.00 0.00 C ATOM 487 CE2 PHE A 33 8.529 -5.742 -2.001 1.00 0.00 C ATOM 488 CZ PHE A 33 8.456 -6.728 -2.992 1.00 0.00 C ATOM 0 H PHE A 33 12.617 -2.958 -5.826 1.00 0.00 H new ATOM 0 HA PHE A 33 9.762 -2.517 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.037 -3.523 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.764 -2.557 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.693 -5.431 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 33 9.397 -3.861 -1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 33 9.135 -7.337 -4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.951 -5.840 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.819 -7.589 -2.855 1.00 0.00 H new ATOM 498 N SER A 34 10.421 -0.104 -5.069 1.00 0.00 N ATOM 499 CA SER A 34 10.619 1.321 -4.962 1.00 0.00 C ATOM 500 C SER A 34 9.449 1.857 -4.150 1.00 0.00 C ATOM 501 O SER A 34 8.318 1.367 -4.271 1.00 0.00 O ATOM 502 CB SER A 34 10.778 1.898 -6.374 1.00 0.00 C ATOM 503 OG SER A 34 11.064 3.286 -6.367 1.00 0.00 O ATOM 0 H SER A 34 9.499 -0.348 -5.431 1.00 0.00 H new ATOM 0 HA SER A 34 11.529 1.615 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.579 1.369 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.863 1.722 -6.939 1.00 0.00 H new ATOM 0 HG SER A 34 11.158 3.605 -7.289 1.00 0.00 H new ATOM 509 N VAL A 35 9.746 2.823 -3.291 1.00 0.00 N ATOM 510 CA VAL A 35 8.820 3.445 -2.367 1.00 0.00 C ATOM 511 C VAL A 35 9.299 4.888 -2.216 1.00 0.00 C ATOM 512 O VAL A 35 10.500 5.151 -2.318 1.00 0.00 O ATOM 513 CB VAL A 35 8.858 2.679 -1.022 1.00 0.00 C ATOM 514 CG1 VAL A 35 7.845 3.236 -0.022 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.538 1.185 -1.159 1.00 0.00 C ATOM 0 H VAL A 35 10.687 3.210 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 35 7.787 3.424 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 35 9.883 2.810 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.904 2.671 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.068 4.285 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.840 3.150 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.583 0.712 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.538 1.064 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.266 0.716 -1.822 1.00 0.00 H new ATOM 525 N TYR A 36 8.398 5.826 -1.935 1.00 0.00 N ATOM 526 CA TYR A 36 8.765 7.202 -1.643 1.00 0.00 C ATOM 527 C TYR A 36 7.980 7.649 -0.415 1.00 0.00 C ATOM 528 O TYR A 36 6.749 7.615 -0.428 1.00 0.00 O ATOM 529 CB TYR A 36 8.530 8.111 -2.848 1.00 0.00 C ATOM 530 CG TYR A 36 9.593 8.054 -3.928 1.00 0.00 C ATOM 531 CD1 TYR A 36 9.586 7.010 -4.865 1.00 0.00 C ATOM 532 CD2 TYR A 36 10.579 9.057 -4.012 1.00 0.00 C ATOM 533 CE1 TYR A 36 10.560 6.945 -5.877 1.00 0.00 C ATOM 534 CE2 TYR A 36 11.556 9.006 -5.022 1.00 0.00 C ATOM 535 CZ TYR A 36 11.553 7.947 -5.956 1.00 0.00 C ATOM 536 OH TYR A 36 12.508 7.899 -6.925 1.00 0.00 O ATOM 0 H TYR A 36 7.394 5.650 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 36 9.832 7.269 -1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.570 7.852 -3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.451 9.139 -2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.824 6.247 -4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.584 9.868 -3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.549 6.134 -6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 36 12.309 9.777 -5.083 1.00 0.00 H new ATOM 0 HH TYR A 36 13.108 8.668 -6.831 1.00 0.00 H new ATOM 546 N GLY A 37 8.704 8.067 0.623 1.00 0.00 N ATOM 547 CA GLY A 37 8.231 8.431 1.950 1.00 0.00 C ATOM 548 C GLY A 37 8.110 7.195 2.841 1.00 0.00 C ATOM 549 O GLY A 37 7.971 6.078 2.346 1.00 0.00 O ATOM 0 H GLY A 37 9.716 8.166 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.919 9.145 2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.263 8.926 1.873 1.00 0.00 H new ATOM 553 N ASN A 38 8.324 7.336 4.152 1.00 0.00 N ATOM 554 CA ASN A 38 8.088 6.242 5.106 1.00 0.00 C ATOM 555 C ASN A 38 6.686 6.493 5.680 1.00 0.00 C ATOM 556 O ASN A 38 6.328 7.668 5.828 1.00 0.00 O ATOM 557 CB ASN A 38 9.147 6.187 6.214 1.00 0.00 C ATOM 558 CG ASN A 38 8.911 7.154 7.365 1.00 0.00 C ATOM 559 OD1 ASN A 38 9.316 8.315 7.326 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.247 6.673 8.403 1.00 0.00 N ATOM 0 H ASN A 38 8.661 8.198 4.581 1.00 0.00 H new ATOM 0 HA ASN A 38 8.157 5.274 4.609 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.186 5.173 6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.123 6.395 5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.055 7.271 9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.927 5.705 8.399 1.00 0.00 H new ATOM 567 N ILE A 39 5.946 5.456 6.096 1.00 0.00 N ATOM 568 CA ILE A 39 4.542 5.511 6.542 1.00 0.00 C ATOM 569 C ILE A 39 3.632 6.006 5.418 1.00 0.00 C ATOM 570 O ILE A 39 2.746 5.267 4.984 1.00 0.00 O ATOM 571 CB ILE A 39 4.351 6.237 7.910 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.664 5.312 9.105 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.957 6.869 8.116 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.681 4.142 9.263 1.00 0.00 C ATOM 0 H ILE A 39 6.326 4.510 6.133 1.00 0.00 H new ATOM 0 HA ILE A 39 4.224 4.492 6.761 1.00 0.00 H new ATOM 0 HB ILE A 39 5.071 7.054 7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.672 4.913 8.989 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.659 5.904 10.020 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.917 7.351 9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.775 7.610 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.194 6.092 8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.969 3.539 10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.674 4.531 9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.702 3.525 8.365 1.00 0.00 H new ATOM 586 N VAL A 40 3.797 7.254 5.003 1.00 0.00 N ATOM 587 CA VAL A 40 3.134 7.859 3.877 1.00 0.00 C ATOM 588 C VAL A 40 3.941 7.416 2.668 1.00 0.00 C ATOM 589 O VAL A 40 5.117 7.763 2.553 1.00 0.00 O ATOM 590 CB VAL A 40 3.111 9.390 4.032 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.347 10.008 2.858 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.469 9.779 5.374 1.00 0.00 C ATOM 0 H VAL A 40 4.432 7.898 5.474 1.00 0.00 H new ATOM 0 HA VAL A 40 2.091 7.557 3.784 1.00 0.00 H new ATOM 0 HB VAL A 40 4.132 9.773 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.329 11.093 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.841 9.744 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.325 9.628 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.459 10.865 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.447 9.402 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.045 9.347 6.192 1.00 0.00 H new ATOM 602 N TYR A 41 3.317 6.650 1.789 1.00 0.00 N ATOM 603 CA TYR A 41 3.849 6.170 0.535 1.00 0.00 C ATOM 604 C TYR A 41 3.179 6.970 -0.570 1.00 0.00 C ATOM 605 O TYR A 41 1.953 6.995 -0.658 1.00 0.00 O ATOM 606 CB TYR A 41 3.583 4.665 0.446 1.00 0.00 C ATOM 607 CG TYR A 41 4.166 3.908 1.626 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.522 4.074 1.952 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.353 3.103 2.442 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.091 3.411 3.049 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.907 2.448 3.556 1.00 0.00 C ATOM 612 CZ TYR A 41 5.282 2.593 3.861 1.00 0.00 C ATOM 613 OH TYR A 41 5.821 1.982 4.950 1.00 0.00 O ATOM 0 H TYR A 41 2.362 6.328 1.948 1.00 0.00 H new ATOM 0 HA TYR A 41 4.927 6.306 0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.508 4.490 0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.009 4.277 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.137 4.724 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.304 2.988 2.214 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.142 3.527 3.269 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.280 1.831 4.183 1.00 0.00 H new ATOM 0 HH TYR A 41 6.797 1.956 4.861 1.00 0.00 H new ATOM 623 N ALA A 42 3.957 7.697 -1.367 1.00 0.00 N ATOM 624 CA ALA A 42 3.420 8.417 -2.510 1.00 0.00 C ATOM 625 C ALA A 42 2.904 7.426 -3.550 1.00 0.00 C ATOM 626 O ALA A 42 3.367 6.284 -3.600 1.00 0.00 O ATOM 627 CB ALA A 42 4.494 9.309 -3.113 1.00 0.00 C ATOM 0 H ALA A 42 4.964 7.801 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 42 2.591 9.044 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.084 9.845 -3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.834 10.025 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.335 8.697 -3.438 1.00 0.00 H new ATOM 633 N SER A 43 2.044 7.906 -4.445 1.00 0.00 N ATOM 634 CA SER A 43 1.341 7.141 -5.467 1.00 0.00 C ATOM 635 C SER A 43 2.293 6.264 -6.302 1.00 0.00 C ATOM 636 O SER A 43 1.954 5.142 -6.658 1.00 0.00 O ATOM 637 CB SER A 43 0.587 8.163 -6.332 1.00 0.00 C ATOM 638 OG SER A 43 -0.488 7.604 -7.043 1.00 0.00 O ATOM 0 H SER A 43 1.807 8.897 -4.477 1.00 0.00 H new ATOM 0 HA SER A 43 0.648 6.436 -5.008 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.214 8.964 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.284 8.616 -7.037 1.00 0.00 H new ATOM 0 HG SER A 43 -0.928 8.302 -7.572 1.00 0.00 H new ATOM 644 N VAL A 44 3.507 6.735 -6.599 1.00 0.00 N ATOM 645 CA VAL A 44 4.478 5.993 -7.405 1.00 0.00 C ATOM 646 C VAL A 44 4.948 4.687 -6.733 1.00 0.00 C ATOM 647 O VAL A 44 5.394 3.775 -7.434 1.00 0.00 O ATOM 648 CB VAL A 44 5.630 6.957 -7.777 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.393 7.485 -6.549 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.612 6.353 -8.789 1.00 0.00 C ATOM 0 H VAL A 44 3.845 7.645 -6.286 1.00 0.00 H new ATOM 0 HA VAL A 44 4.003 5.645 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 44 5.137 7.805 -8.253 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.188 8.155 -6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.706 8.026 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.826 6.648 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.397 7.076 -9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.057 5.451 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.080 6.102 -9.707 1.00 0.00 H new ATOM 660 N SER A 45 4.832 4.567 -5.407 1.00 0.00 N ATOM 661 CA SER A 45 5.346 3.436 -4.647 1.00 0.00 C ATOM 662 C SER A 45 4.689 2.129 -5.093 1.00 0.00 C ATOM 663 O SER A 45 3.480 2.088 -5.338 1.00 0.00 O ATOM 664 CB SER A 45 5.091 3.649 -3.148 1.00 0.00 C ATOM 665 OG SER A 45 5.539 4.923 -2.711 1.00 0.00 O ATOM 0 H SER A 45 4.370 5.267 -4.827 1.00 0.00 H new ATOM 0 HA SER A 45 6.418 3.367 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.025 3.549 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.599 2.871 -2.579 1.00 0.00 H new ATOM 0 HG SER A 45 4.887 5.606 -2.972 1.00 0.00 H new ATOM 671 N SER A 46 5.482 1.062 -5.195 1.00 0.00 N ATOM 672 CA SER A 46 4.970 -0.273 -5.472 1.00 0.00 C ATOM 673 C SER A 46 4.038 -0.662 -4.316 1.00 0.00 C ATOM 674 O SER A 46 4.318 -0.301 -3.169 1.00 0.00 O ATOM 675 CB SER A 46 6.164 -1.229 -5.609 1.00 0.00 C ATOM 676 OG SER A 46 5.721 -2.568 -5.620 1.00 0.00 O ATOM 0 H SER A 46 6.496 1.103 -5.087 1.00 0.00 H new ATOM 0 HA SER A 46 4.402 -0.317 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.709 -1.012 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.858 -1.075 -4.783 1.00 0.00 H new ATOM 0 HG SER A 46 6.492 -3.167 -5.710 1.00 0.00 H new ATOM 682 N ILE A 47 2.958 -1.407 -4.582 1.00 0.00 N ATOM 683 CA ILE A 47 2.106 -1.920 -3.512 1.00 0.00 C ATOM 684 C ILE A 47 2.921 -2.919 -2.685 1.00 0.00 C ATOM 685 O ILE A 47 2.905 -2.805 -1.459 1.00 0.00 O ATOM 686 CB ILE A 47 0.773 -2.467 -4.072 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.100 -1.253 -4.475 1.00 0.00 C ATOM 688 CG2 ILE A 47 0.022 -3.340 -3.047 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.356 -1.626 -5.265 1.00 0.00 C ATOM 0 H ILE A 47 2.658 -1.664 -5.522 1.00 0.00 H new ATOM 0 HA ILE A 47 1.798 -1.122 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 47 0.984 -3.106 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.396 -0.716 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.502 -0.567 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.908 -3.700 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.645 -4.190 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.203 -2.748 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.914 -0.722 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.069 -2.136 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.981 -2.286 -4.664 1.00 0.00 H new ATOM 701 N CYS A 48 3.669 -3.843 -3.311 1.00 0.00 N ATOM 702 CA CYS A 48 4.567 -4.725 -2.564 1.00 0.00 C ATOM 703 C CYS A 48 5.571 -3.876 -1.787 1.00 0.00 C ATOM 704 O CYS A 48 5.803 -4.132 -0.608 1.00 0.00 O ATOM 705 CB CYS A 48 5.397 -5.651 -3.454 1.00 0.00 C ATOM 706 SG CYS A 48 4.600 -6.757 -4.613 1.00 0.00 S ATOM 0 H CYS A 48 3.667 -3.994 -4.320 1.00 0.00 H new ATOM 0 HA CYS A 48 3.925 -5.331 -1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.077 -5.021 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.011 -6.265 -2.795 1.00 0.00 H new ATOM 711 N GLY A 49 6.153 -2.876 -2.463 1.00 0.00 N ATOM 712 CA GLY A 49 7.075 -1.903 -1.902 1.00 0.00 C ATOM 713 C GLY A 49 6.565 -1.390 -0.567 1.00 0.00 C ATOM 714 O GLY A 49 7.179 -1.630 0.469 1.00 0.00 O ATOM 0 H GLY A 49 5.981 -2.724 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.057 -2.358 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.199 -1.070 -2.594 1.00 0.00 H new ATOM 718 N ALA A 50 5.432 -0.696 -0.610 1.00 0.00 N ATOM 719 CA ALA A 50 4.772 -0.123 0.541 1.00 0.00 C ATOM 720 C ALA A 50 4.473 -1.194 1.587 1.00 0.00 C ATOM 721 O ALA A 50 4.818 -1.004 2.746 1.00 0.00 O ATOM 722 CB ALA A 50 3.490 0.571 0.076 1.00 0.00 C ATOM 0 H ALA A 50 4.936 -0.515 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 50 5.427 0.609 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.981 1.008 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.740 1.357 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.835 -0.157 -0.402 1.00 0.00 H new ATOM 728 N ALA A 51 3.827 -2.298 1.204 1.00 0.00 N ATOM 729 CA ALA A 51 3.375 -3.330 2.130 1.00 0.00 C ATOM 730 C ALA A 51 4.536 -3.909 2.932 1.00 0.00 C ATOM 731 O ALA A 51 4.501 -3.913 4.163 1.00 0.00 O ATOM 732 CB ALA A 51 2.605 -4.413 1.366 1.00 0.00 C ATOM 0 H ALA A 51 3.602 -2.499 0.230 1.00 0.00 H new ATOM 0 HA ALA A 51 2.697 -2.879 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.270 -5.181 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.740 -3.967 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.256 -4.862 0.616 1.00 0.00 H new ATOM 738 N VAL A 52 5.543 -4.432 2.245 1.00 0.00 N ATOM 739 CA VAL A 52 6.694 -5.050 2.875 1.00 0.00 C ATOM 740 C VAL A 52 7.513 -3.996 3.644 1.00 0.00 C ATOM 741 O VAL A 52 7.925 -4.277 4.766 1.00 0.00 O ATOM 742 CB VAL A 52 7.462 -5.872 1.824 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.607 -6.673 2.452 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.542 -6.891 1.122 1.00 0.00 C ATOM 0 H VAL A 52 5.581 -4.437 1.226 1.00 0.00 H new ATOM 0 HA VAL A 52 6.400 -5.766 3.642 1.00 0.00 H new ATOM 0 HB VAL A 52 7.851 -5.145 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.123 -7.239 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.309 -5.990 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.205 -7.361 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.117 -7.454 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.128 -7.577 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.730 -6.364 0.621 1.00 0.00 H new ATOM 754 N HIS A 53 7.687 -2.767 3.136 1.00 0.00 N ATOM 755 CA HIS A 53 8.365 -1.683 3.868 1.00 0.00 C ATOM 756 C HIS A 53 7.650 -1.406 5.194 1.00 0.00 C ATOM 757 O HIS A 53 8.264 -1.407 6.261 1.00 0.00 O ATOM 758 CB HIS A 53 8.428 -0.417 2.998 1.00 0.00 C ATOM 759 CG HIS A 53 9.162 0.737 3.633 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.650 1.603 4.604 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.437 1.110 3.326 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.654 2.454 4.881 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.728 2.199 4.113 1.00 0.00 N ATOM 0 H HIS A 53 7.363 -2.495 2.208 1.00 0.00 H new ATOM 0 HA HIS A 53 9.385 -1.992 4.095 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.911 -0.664 2.053 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.412 -0.101 2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.091 0.641 2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.604 3.238 5.622 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.604 2.721 4.114 1.00 0.00 H new ATOM 771 N ARG A 54 6.327 -1.240 5.140 1.00 0.00 N ATOM 772 CA ARG A 54 5.432 -1.068 6.284 1.00 0.00 C ATOM 773 C ARG A 54 5.480 -2.272 7.229 1.00 0.00 C ATOM 774 O ARG A 54 5.115 -2.133 8.399 1.00 0.00 O ATOM 775 CB ARG A 54 4.019 -0.844 5.724 1.00 0.00 C ATOM 776 CG ARG A 54 2.951 -0.311 6.680 1.00 0.00 C ATOM 777 CD ARG A 54 3.181 1.158 7.055 1.00 0.00 C ATOM 778 NE ARG A 54 1.925 1.872 7.333 1.00 0.00 N ATOM 779 CZ ARG A 54 1.237 1.868 8.476 1.00 0.00 C ATOM 780 NH1 ARG A 54 1.668 1.171 9.522 1.00 0.00 N ATOM 781 NH2 ARG A 54 0.137 2.604 8.561 1.00 0.00 N ATOM 0 H ARG A 54 5.826 -1.221 4.252 1.00 0.00 H new ATOM 0 HA ARG A 54 5.744 -0.212 6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.096 -0.150 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.664 -1.792 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.969 -0.416 6.218 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.943 -0.917 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.826 1.209 7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.708 1.659 6.243 1.00 0.00 H new ATOM 0 HE ARG A 54 1.539 2.429 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.532 0.633 9.455 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.135 1.174 10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.168 3.159 7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.404 2.615 9.426 1.00 0.00 H new ATOM 795 N GLY A 55 5.870 -3.446 6.734 1.00 0.00 N ATOM 796 CA GLY A 55 5.974 -4.687 7.484 1.00 0.00 C ATOM 797 C GLY A 55 4.671 -5.490 7.501 1.00 0.00 C ATOM 798 O GLY A 55 4.553 -6.474 8.232 1.00 0.00 O ATOM 0 H GLY A 55 6.133 -3.558 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.766 -5.300 7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.268 -4.461 8.509 1.00 0.00 H new ATOM 802 N VAL A 56 3.691 -5.093 6.688 1.00 0.00 N ATOM 803 CA VAL A 56 2.380 -5.721 6.581 1.00 0.00 C ATOM 804 C VAL A 56 2.491 -7.199 6.200 1.00 0.00 C ATOM 805 O VAL A 56 1.692 -8.004 6.663 1.00 0.00 O ATOM 806 CB VAL A 56 1.551 -4.904 5.567 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.246 -5.559 5.122 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.203 -3.529 6.162 1.00 0.00 C ATOM 0 H VAL A 56 3.796 -4.294 6.063 1.00 0.00 H new ATOM 0 HA VAL A 56 1.875 -5.714 7.547 1.00 0.00 H new ATOM 0 HB VAL A 56 2.188 -4.829 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.264 -4.909 4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.463 -6.516 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.394 -5.720 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.618 -2.958 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.623 -3.664 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.122 -2.989 6.393 1.00 0.00 H new ATOM 818 N ILE A 57 3.448 -7.568 5.357 1.00 0.00 N ATOM 819 CA ILE A 57 3.678 -8.934 4.902 1.00 0.00 C ATOM 820 C ILE A 57 5.183 -9.117 4.711 1.00 0.00 C ATOM 821 O ILE A 57 5.939 -8.137 4.732 1.00 0.00 O ATOM 822 CB ILE A 57 2.907 -9.218 3.582 1.00 0.00 C ATOM 823 CG1 ILE A 57 2.939 -8.007 2.620 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.451 -9.638 3.858 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.658 -8.370 1.158 1.00 0.00 C ATOM 0 H ILE A 57 4.108 -6.901 4.957 1.00 0.00 H new ATOM 0 HA ILE A 57 3.308 -9.643 5.642 1.00 0.00 H new ATOM 0 HB ILE A 57 3.420 -10.047 3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.204 -7.273 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.917 -7.530 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.942 -9.829 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.442 -10.544 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.937 -8.839 4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.698 -7.469 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.408 -9.080 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.668 -8.819 1.078 1.00 0.00 H new ATOM 837 N SER A 58 5.617 -10.365 4.578 1.00 0.00 N ATOM 838 CA SER A 58 6.992 -10.713 4.248 1.00 0.00 C ATOM 839 C SER A 58 7.217 -10.409 2.765 1.00 0.00 C ATOM 840 O SER A 58 6.269 -10.072 2.044 1.00 0.00 O ATOM 841 CB SER A 58 7.201 -12.199 4.538 1.00 0.00 C ATOM 842 OG SER A 58 7.060 -12.379 5.929 1.00 0.00 O ATOM 0 H SER A 58 5.012 -11.177 4.699 1.00 0.00 H new ATOM 0 HA SER A 58 7.702 -10.138 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.472 -12.802 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.189 -12.520 4.207 1.00 0.00 H new ATOM 0 HG SER A 58 7.187 -13.325 6.151 1.00 0.00 H new ATOM 848 N ASN A 59 8.454 -10.537 2.279 1.00 0.00 N ATOM 849 CA ASN A 59 8.735 -10.331 0.863 1.00 0.00 C ATOM 850 C ASN A 59 8.240 -11.532 0.042 1.00 0.00 C ATOM 851 O ASN A 59 9.018 -12.415 -0.324 1.00 0.00 O ATOM 852 CB ASN A 59 10.231 -10.051 0.645 1.00 0.00 C ATOM 853 CG ASN A 59 10.536 -10.003 -0.843 1.00 0.00 C ATOM 854 OD1 ASN A 59 11.324 -10.795 -1.343 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.896 -9.110 -1.572 1.00 0.00 N ATOM 0 H ASN A 59 9.269 -10.780 2.843 1.00 0.00 H new ATOM 0 HA ASN A 59 8.192 -9.453 0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.505 -9.105 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.829 -10.827 1.123 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.052 -9.067 -2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.245 -8.462 -1.129 1.00 0.00 H new ATOM 862 N SER A 60 6.924 -11.649 -0.127 1.00 0.00 N ATOM 863 CA SER A 60 6.303 -12.639 -0.985 1.00 0.00 C ATOM 864 C SER A 60 5.027 -12.042 -1.590 1.00 0.00 C ATOM 865 O SER A 60 4.957 -11.762 -2.782 1.00 0.00 O ATOM 866 CB SER A 60 6.123 -13.957 -0.224 1.00 0.00 C ATOM 867 OG SER A 60 5.982 -15.060 -1.103 1.00 0.00 O ATOM 0 H SER A 60 6.251 -11.042 0.342 1.00 0.00 H new ATOM 0 HA SER A 60 6.939 -12.898 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.981 -14.120 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.244 -13.889 0.417 1.00 0.00 H new ATOM 0 HG SER A 60 5.871 -15.882 -0.581 1.00 0.00 H new ATOM 873 N GLY A 61 4.029 -11.765 -0.749 1.00 0.00 N ATOM 874 CA GLY A 61 2.706 -11.314 -1.153 1.00 0.00 C ATOM 875 C GLY A 61 1.719 -11.683 -0.048 1.00 0.00 C ATOM 876 O GLY A 61 2.132 -12.202 0.995 1.00 0.00 O ATOM 0 H GLY A 61 4.127 -11.853 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.706 -10.237 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.416 -11.782 -2.094 1.00 0.00 H new ATOM 880 N GLY A 62 0.427 -11.438 -0.249 1.00 0.00 N ATOM 881 CA GLY A 62 -0.620 -11.769 0.712 1.00 0.00 C ATOM 882 C GLY A 62 -1.762 -10.757 0.665 1.00 0.00 C ATOM 883 O GLY A 62 -1.699 -9.806 -0.122 1.00 0.00 O ATOM 0 H GLY A 62 0.073 -10.997 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.007 -12.766 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.198 -11.797 1.717 1.00 0.00 H new ATOM 887 N PRO A 63 -2.805 -10.956 1.488 1.00 0.00 N ATOM 888 CA PRO A 63 -3.894 -10.005 1.637 1.00 0.00 C ATOM 889 C PRO A 63 -3.406 -8.795 2.442 1.00 0.00 C ATOM 890 O PRO A 63 -2.666 -8.935 3.422 1.00 0.00 O ATOM 891 CB PRO A 63 -5.005 -10.775 2.354 1.00 0.00 C ATOM 892 CG PRO A 63 -4.249 -11.817 3.176 1.00 0.00 C ATOM 893 CD PRO A 63 -3.029 -12.134 2.315 1.00 0.00 C ATOM 0 HA PRO A 63 -4.258 -9.613 0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.601 -10.120 2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.690 -11.243 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.961 -11.426 4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.856 -12.705 3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.158 -12.347 2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.205 -13.016 1.699 1.00 0.00 H new ATOM 901 N VAL A 64 -3.827 -7.600 2.037 1.00 0.00 N ATOM 902 CA VAL A 64 -3.398 -6.309 2.556 1.00 0.00 C ATOM 903 C VAL A 64 -4.581 -5.320 2.466 1.00 0.00 C ATOM 904 O VAL A 64 -5.574 -5.576 1.783 1.00 0.00 O ATOM 905 CB VAL A 64 -2.190 -5.887 1.676 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.714 -4.467 1.908 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.972 -6.825 1.783 1.00 0.00 C ATOM 0 H VAL A 64 -4.518 -7.504 1.293 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.096 -6.336 3.603 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.606 -5.959 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.868 -4.255 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.525 -3.771 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.406 -4.352 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.173 -6.459 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.622 -6.851 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.258 -7.830 1.472 1.00 0.00 H new ATOM 917 N ARG A 65 -4.490 -4.149 3.109 1.00 0.00 N ATOM 918 CA ARG A 65 -5.483 -3.075 2.993 1.00 0.00 C ATOM 919 C ARG A 65 -4.805 -1.724 2.865 1.00 0.00 C ATOM 920 O ARG A 65 -4.094 -1.290 3.772 1.00 0.00 O ATOM 921 CB ARG A 65 -6.489 -3.094 4.150 1.00 0.00 C ATOM 922 CG ARG A 65 -7.604 -2.054 3.914 1.00 0.00 C ATOM 923 CD ARG A 65 -8.724 -2.116 4.955 1.00 0.00 C ATOM 924 NE ARG A 65 -9.423 -3.401 4.884 1.00 0.00 N ATOM 925 CZ ARG A 65 -9.247 -4.442 5.699 1.00 0.00 C ATOM 926 NH1 ARG A 65 -8.575 -4.322 6.834 1.00 0.00 N ATOM 927 NH2 ARG A 65 -9.762 -5.617 5.371 1.00 0.00 N ATOM 0 H ARG A 65 -3.716 -3.919 3.732 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.052 -3.253 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.925 -4.088 4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.977 -2.880 5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.167 -1.056 3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.030 -2.208 2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.308 -1.977 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.430 -1.302 4.787 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.111 -3.510 4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.180 -3.420 7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.453 -5.132 7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.287 -5.719 4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.634 -6.420 5.987 1.00 0.00 H new ATOM 941 N VAL A 66 -5.030 -1.063 1.736 1.00 0.00 N ATOM 942 CA VAL A 66 -4.560 0.293 1.480 1.00 0.00 C ATOM 943 C VAL A 66 -5.571 1.293 2.063 1.00 0.00 C ATOM 944 O VAL A 66 -6.779 1.043 2.057 1.00 0.00 O ATOM 945 CB VAL A 66 -4.379 0.477 -0.046 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.888 1.882 -0.425 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.380 -0.544 -0.626 1.00 0.00 C ATOM 0 H VAL A 66 -5.554 -1.462 0.958 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.598 0.472 1.960 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.371 0.321 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.780 1.950 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.611 2.624 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.924 2.071 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.279 -0.384 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.409 -0.416 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.745 -1.555 -0.442 1.00 0.00 H new ATOM 957 N TYR A 67 -5.065 2.434 2.535 1.00 0.00 N ATOM 958 CA TYR A 67 -5.790 3.600 3.017 1.00 0.00 C ATOM 959 C TYR A 67 -5.092 4.783 2.352 1.00 0.00 C ATOM 960 O TYR A 67 -3.909 5.012 2.604 1.00 0.00 O ATOM 961 CB TYR A 67 -5.710 3.722 4.547 1.00 0.00 C ATOM 962 CG TYR A 67 -6.663 2.823 5.309 1.00 0.00 C ATOM 963 CD1 TYR A 67 -6.334 1.477 5.549 1.00 0.00 C ATOM 964 CD2 TYR A 67 -7.865 3.347 5.822 1.00 0.00 C ATOM 965 CE1 TYR A 67 -7.217 0.647 6.262 1.00 0.00 C ATOM 966 CE2 TYR A 67 -8.760 2.516 6.517 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.456 1.153 6.717 1.00 0.00 C ATOM 968 OH TYR A 67 -9.376 0.350 7.320 1.00 0.00 O ATOM 0 H TYR A 67 -4.056 2.572 2.592 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.852 3.544 2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.691 3.497 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.909 4.757 4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.399 1.079 5.184 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.100 4.392 5.681 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.948 -0.380 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.685 2.922 6.900 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.163 0.880 7.563 1.00 0.00 H new ATOM 978 N SER A 68 -5.769 5.504 1.460 1.00 0.00 N ATOM 979 CA SER A 68 -5.189 6.703 0.873 1.00 0.00 C ATOM 980 C SER A 68 -4.945 7.759 1.955 1.00 0.00 C ATOM 981 O SER A 68 -5.525 7.715 3.049 1.00 0.00 O ATOM 982 CB SER A 68 -6.022 7.211 -0.300 1.00 0.00 C ATOM 983 OG SER A 68 -7.344 7.544 0.074 1.00 0.00 O ATOM 0 H SER A 68 -6.709 5.280 1.133 1.00 0.00 H new ATOM 0 HA SER A 68 -4.215 6.456 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.539 8.088 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.050 6.448 -1.078 1.00 0.00 H new ATOM 0 HG SER A 68 -7.709 6.839 0.649 1.00 0.00 H new ATOM 989 N LEU A 69 -4.073 8.710 1.641 1.00 0.00 N ATOM 990 CA LEU A 69 -3.592 9.733 2.545 1.00 0.00 C ATOM 991 C LEU A 69 -3.608 11.056 1.772 1.00 0.00 C ATOM 992 O LEU A 69 -3.267 11.059 0.585 1.00 0.00 O ATOM 993 CB LEU A 69 -2.198 9.292 3.020 1.00 0.00 C ATOM 994 CG LEU A 69 -1.713 9.934 4.329 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.836 8.912 5.050 1.00 0.00 C ATOM 996 CD2 LEU A 69 -0.945 11.247 4.116 1.00 0.00 C ATOM 0 H LEU A 69 -3.668 8.787 0.708 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.204 9.874 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.202 8.209 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.477 9.519 2.235 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.585 10.201 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.475 9.338 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.420 8.016 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.013 8.651 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.632 11.646 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.067 11.059 3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.591 11.969 3.617 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.047 12.160 2.395 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.212 13.444 1.727 1.00 0.00 C ATOM 1010 C PRO A 70 -2.867 14.056 1.319 1.00 0.00 C ATOM 1011 O PRO A 70 -1.794 13.493 1.546 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.975 14.321 2.727 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.567 13.737 4.073 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.461 12.253 3.784 1.00 0.00 C ATOM 0 HA PRO A 70 -4.759 13.344 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.694 15.371 2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.053 14.266 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.620 14.149 4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.308 13.946 4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.736 11.775 4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.416 11.752 3.944 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.932 15.242 0.712 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.765 16.011 0.337 1.00 0.00 C ATOM 1024 C GLY A 71 -0.835 16.214 1.521 1.00 0.00 C ATOM 1025 O GLY A 71 -1.244 16.691 2.585 1.00 0.00 O ATOM 0 H GLY A 71 -3.813 15.694 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.231 15.499 -0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.075 16.980 -0.055 1.00 0.00 H new ATOM 1029 N ARG A 72 0.426 15.849 1.303 1.00 0.00 N ATOM 1030 CA ARG A 72 1.549 16.011 2.207 1.00 0.00 C ATOM 1031 C ARG A 72 2.734 16.571 1.436 1.00 0.00 C ATOM 1032 O ARG A 72 2.696 16.674 0.207 1.00 0.00 O ATOM 1033 CB ARG A 72 1.862 14.681 2.913 1.00 0.00 C ATOM 1034 CG ARG A 72 0.924 14.436 4.104 1.00 0.00 C ATOM 1035 CD ARG A 72 1.720 13.785 5.237 1.00 0.00 C ATOM 1036 NE ARG A 72 0.901 13.541 6.427 1.00 0.00 N ATOM 1037 CZ ARG A 72 1.334 13.011 7.576 1.00 0.00 C ATOM 1038 NH1 ARG A 72 2.568 12.525 7.687 1.00 0.00 N ATOM 1039 NH2 ARG A 72 0.517 12.950 8.617 1.00 0.00 N ATOM 0 H ARG A 72 0.703 15.402 0.429 1.00 0.00 H new ATOM 0 HA ARG A 72 1.304 16.724 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.769 13.861 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.896 14.687 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.489 15.377 4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.097 13.792 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.138 12.841 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.560 14.427 5.503 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.085 13.798 6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.201 12.553 6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.881 12.125 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.436 13.306 8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.841 12.547 9.496 1.00 0.00 H new ATOM 1053 N GLU A 73 3.729 17.025 2.185 1.00 0.00 N ATOM 1054 CA GLU A 73 4.991 17.637 1.801 1.00 0.00 C ATOM 1055 C GLU A 73 5.945 17.452 2.995 1.00 0.00 C ATOM 1056 O GLU A 73 5.495 16.963 4.036 1.00 0.00 O ATOM 1057 CB GLU A 73 4.748 19.104 1.423 1.00 0.00 C ATOM 1058 CG GLU A 73 4.068 19.944 2.514 1.00 0.00 C ATOM 1059 CD GLU A 73 3.681 21.337 2.009 1.00 0.00 C ATOM 1060 OE1 GLU A 73 4.284 21.863 1.046 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.697 21.908 2.538 1.00 0.00 O ATOM 0 H GLU A 73 3.660 16.965 3.201 1.00 0.00 H new ATOM 0 HA GLU A 73 5.442 17.177 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.704 19.564 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.134 19.136 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.176 19.426 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.739 20.041 3.367 1.00 0.00 H new ATOM 1068 N ASN A 74 7.225 17.838 2.890 1.00 0.00 N ATOM 1069 CA ASN A 74 8.255 17.588 3.918 1.00 0.00 C ATOM 1070 C ASN A 74 8.197 16.138 4.411 1.00 0.00 C ATOM 1071 O ASN A 74 7.989 15.861 5.596 1.00 0.00 O ATOM 1072 CB ASN A 74 8.235 18.617 5.072 1.00 0.00 C ATOM 1073 CG ASN A 74 8.944 19.927 4.751 1.00 0.00 C ATOM 1074 OD1 ASN A 74 9.526 20.103 3.684 1.00 0.00 O ATOM 1075 ND2 ASN A 74 8.927 20.877 5.672 1.00 0.00 N ATOM 0 H ASN A 74 7.583 18.340 2.078 1.00 0.00 H new ATOM 0 HA ASN A 74 9.223 17.732 3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.199 18.832 5.335 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.700 18.170 5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.400 21.764 5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.441 20.722 6.555 1.00 0.00 H new ATOM 1082 N TYR A 75 8.311 15.199 3.472 1.00 0.00 N ATOM 1083 CA TYR A 75 8.398 13.769 3.752 1.00 0.00 C ATOM 1084 C TYR A 75 9.793 13.433 4.308 1.00 0.00 C ATOM 1085 O TYR A 75 10.654 14.311 4.403 1.00 0.00 O ATOM 1086 CB TYR A 75 8.118 12.982 2.468 1.00 0.00 C ATOM 1087 CG TYR A 75 6.790 13.263 1.799 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.674 14.335 0.894 1.00 0.00 C ATOM 1089 CD2 TYR A 75 5.701 12.397 2.002 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.494 14.515 0.157 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.520 12.571 1.263 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.421 13.615 0.326 1.00 0.00 C ATOM 1093 OH TYR A 75 3.313 13.747 -0.440 1.00 0.00 O ATOM 0 H TYR A 75 8.346 15.417 2.476 1.00 0.00 H new ATOM 0 HA TYR A 75 7.655 13.492 4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.915 13.193 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.169 11.918 2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.497 15.022 0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.773 11.599 2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.407 15.339 -0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.686 11.902 1.414 1.00 0.00 H new ATOM 0 HH TYR A 75 3.009 14.678 -0.417 1.00 0.00 H new ATOM 1103 N SER A 76 10.045 12.164 4.629 1.00 0.00 N ATOM 1104 CA SER A 76 11.323 11.652 5.105 1.00 0.00 C ATOM 1105 C SER A 76 11.653 10.358 4.352 1.00 0.00 C ATOM 1106 O SER A 76 10.856 9.890 3.535 1.00 0.00 O ATOM 1107 CB SER A 76 11.278 11.474 6.629 1.00 0.00 C ATOM 1108 OG SER A 76 11.243 12.737 7.269 1.00 0.00 O ATOM 0 H SER A 76 9.332 11.437 4.560 1.00 0.00 H new ATOM 0 HA SER A 76 12.127 12.360 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.400 10.892 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.151 10.913 6.963 1.00 0.00 H new ATOM 0 HG SER A 76 11.213 12.611 8.240 1.00 0.00 H new ATOM 1114 N SER A 77 12.821 9.785 4.623 1.00 0.00 N ATOM 1115 CA SER A 77 13.385 8.635 3.931 1.00 0.00 C ATOM 1116 C SER A 77 13.769 7.593 4.977 1.00 0.00 C ATOM 1117 O SER A 77 14.463 7.961 5.924 1.00 0.00 O ATOM 1118 CB SER A 77 14.634 9.126 3.170 1.00 0.00 C ATOM 1119 OG SER A 77 14.384 10.343 2.468 1.00 0.00 O ATOM 0 H SER A 77 13.428 10.128 5.367 1.00 0.00 H new ATOM 0 HA SER A 77 12.678 8.189 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.453 9.274 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.954 8.359 2.465 1.00 0.00 H new ATOM 0 HG SER A 77 15.198 10.624 2.000 1.00 0.00 H new ATOM 1125 N VAL A 78 13.320 6.340 4.861 1.00 0.00 N ATOM 1126 CA VAL A 78 13.643 5.278 5.818 1.00 0.00 C ATOM 1127 C VAL A 78 13.808 3.972 5.035 1.00 0.00 C ATOM 1128 O VAL A 78 13.165 3.772 4.002 1.00 0.00 O ATOM 1129 CB VAL A 78 12.541 5.163 6.905 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.834 4.090 7.964 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.298 6.487 7.657 1.00 0.00 C ATOM 0 H VAL A 78 12.719 6.032 4.096 1.00 0.00 H new ATOM 0 HA VAL A 78 14.571 5.506 6.342 1.00 0.00 H new ATOM 0 HB VAL A 78 11.654 4.884 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.022 4.065 8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.919 3.116 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.769 4.326 8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.517 6.343 8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.218 6.800 8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.986 7.255 6.949 1.00 0.00 H new ATOM 1141 N ASP A 79 14.654 3.078 5.532 1.00 0.00 N ATOM 1142 CA ASP A 79 14.862 1.728 5.018 1.00 0.00 C ATOM 1143 C ASP A 79 14.177 0.748 5.961 1.00 0.00 C ATOM 1144 O ASP A 79 14.306 0.891 7.177 1.00 0.00 O ATOM 1145 CB ASP A 79 16.359 1.438 4.948 1.00 0.00 C ATOM 1146 CG ASP A 79 16.664 -0.030 4.679 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.693 -0.451 3.503 1.00 0.00 O ATOM 1148 OD2 ASP A 79 17.004 -0.743 5.651 1.00 0.00 O ATOM 0 H ASP A 79 15.241 3.283 6.341 1.00 0.00 H new ATOM 0 HA ASP A 79 14.442 1.629 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.806 2.047 4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.826 1.735 5.887 1.00 0.00 H new ATOM 1153 N ALA A 80 13.427 -0.217 5.432 1.00 0.00 N ATOM 1154 CA ALA A 80 12.815 -1.284 6.212 1.00 0.00 C ATOM 1155 C ALA A 80 12.600 -2.494 5.308 1.00 0.00 C ATOM 1156 O ALA A 80 12.268 -2.334 4.134 1.00 0.00 O ATOM 1157 CB ALA A 80 11.472 -0.809 6.781 1.00 0.00 C ATOM 0 H ALA A 80 13.226 -0.278 4.434 1.00 0.00 H new ATOM 0 HA ALA A 80 13.468 -1.557 7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.019 -1.612 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.634 0.057 7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.807 -0.535 5.962 1.00 0.00 H new ATOM 1163 N ASN A 81 12.734 -3.701 5.865 1.00 0.00 N ATOM 1164 CA ASN A 81 12.588 -4.990 5.179 1.00 0.00 C ATOM 1165 C ASN A 81 13.315 -5.029 3.823 1.00 0.00 C ATOM 1166 O ASN A 81 12.819 -5.625 2.865 1.00 0.00 O ATOM 1167 CB ASN A 81 11.103 -5.393 5.074 1.00 0.00 C ATOM 1168 CG ASN A 81 10.513 -5.813 6.410 1.00 0.00 C ATOM 1169 OD1 ASN A 81 10.952 -6.799 6.999 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.522 -5.115 6.927 1.00 0.00 N ATOM 0 H ASN A 81 12.958 -3.812 6.854 1.00 0.00 H new ATOM 0 HA ASN A 81 13.085 -5.742 5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.531 -4.555 4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.003 -6.213 4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.115 -5.392 7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.162 -4.298 6.434 1.00 0.00 H new ATOM 1177 N GLY A 82 14.503 -4.427 3.736 1.00 0.00 N ATOM 1178 CA GLY A 82 15.343 -4.452 2.544 1.00 0.00 C ATOM 1179 C GLY A 82 14.935 -3.432 1.481 1.00 0.00 C ATOM 1180 O GLY A 82 15.497 -3.434 0.381 1.00 0.00 O ATOM 0 H GLY A 82 14.912 -3.900 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.377 -4.266 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.310 -5.450 2.108 1.00 0.00 H new ATOM 1184 N ILE A 83 13.980 -2.555 1.783 1.00 0.00 N ATOM 1185 CA ILE A 83 13.382 -1.612 0.854 1.00 0.00 C ATOM 1186 C ILE A 83 13.702 -0.210 1.354 1.00 0.00 C ATOM 1187 O ILE A 83 13.488 0.087 2.529 1.00 0.00 O ATOM 1188 CB ILE A 83 11.864 -1.885 0.795 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.555 -3.350 0.406 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.155 -0.936 -0.188 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.284 -3.852 1.086 1.00 0.00 C ATOM 0 H ILE A 83 13.589 -2.483 2.722 1.00 0.00 H new ATOM 0 HA ILE A 83 13.775 -1.715 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 83 11.483 -1.704 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.444 -3.425 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.394 -3.987 0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.088 -1.158 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.307 0.096 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.568 -1.073 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.097 -4.884 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.406 -3.801 2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.441 -3.230 0.786 1.00 0.00 H new ATOM 1203 N GLN A 84 14.145 0.671 0.458 1.00 0.00 N ATOM 1204 CA GLN A 84 14.462 2.050 0.794 1.00 0.00 C ATOM 1205 C GLN A 84 13.328 2.931 0.287 1.00 0.00 C ATOM 1206 O GLN A 84 12.821 2.712 -0.821 1.00 0.00 O ATOM 1207 CB GLN A 84 15.794 2.435 0.120 1.00 0.00 C ATOM 1208 CG GLN A 84 16.266 3.876 0.394 1.00 0.00 C ATOM 1209 CD GLN A 84 16.645 4.115 1.854 1.00 0.00 C ATOM 1210 OE1 GLN A 84 17.600 3.534 2.362 1.00 0.00 O ATOM 1211 NE2 GLN A 84 15.923 4.957 2.576 1.00 0.00 N ATOM 0 H GLN A 84 14.293 0.443 -0.525 1.00 0.00 H new ATOM 0 HA GLN A 84 14.568 2.179 1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.568 1.745 0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.692 2.300 -0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.125 4.097 -0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.475 4.571 0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.130 5.440 2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.160 5.123 3.554 1.00 0.00 H new ATOM 1220 N SER A 85 12.949 3.928 1.082 1.00 0.00 N ATOM 1221 CA SER A 85 11.990 4.949 0.715 1.00 0.00 C ATOM 1222 C SER A 85 12.676 6.303 0.869 1.00 0.00 C ATOM 1223 O SER A 85 13.560 6.449 1.721 1.00 0.00 O ATOM 1224 CB SER A 85 10.682 4.817 1.496 1.00 0.00 C ATOM 1225 OG SER A 85 10.756 5.293 2.825 1.00 0.00 O ATOM 0 H SER A 85 13.316 4.045 2.027 1.00 0.00 H new ATOM 0 HA SER A 85 11.682 4.834 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.899 5.362 0.969 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.385 3.768 1.512 1.00 0.00 H new ATOM 0 HG SER A 85 11.418 4.770 3.324 1.00 0.00 H new ATOM 1231 N GLN A 86 12.326 7.268 0.018 1.00 0.00 N ATOM 1232 CA GLN A 86 12.901 8.608 0.013 1.00 0.00 C ATOM 1233 C GLN A 86 11.811 9.674 -0.121 1.00 0.00 C ATOM 1234 O GLN A 86 10.757 9.395 -0.686 1.00 0.00 O ATOM 1235 CB GLN A 86 14.020 8.731 -1.042 1.00 0.00 C ATOM 1236 CG GLN A 86 13.771 8.001 -2.378 1.00 0.00 C ATOM 1237 CD GLN A 86 14.172 6.522 -2.321 1.00 0.00 C ATOM 1238 OE1 GLN A 86 15.308 6.184 -2.022 1.00 0.00 O ATOM 1239 NE2 GLN A 86 13.264 5.593 -2.571 1.00 0.00 N ATOM 0 H GLN A 86 11.617 7.133 -0.703 1.00 0.00 H new ATOM 0 HA GLN A 86 13.379 8.787 0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.179 9.789 -1.253 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.945 8.349 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.716 8.078 -2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 86 14.333 8.497 -3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.313 5.864 -2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.515 4.606 -2.513 1.00 0.00 H new ATOM 1248 N MET A 87 12.043 10.858 0.451 1.00 0.00 N ATOM 1249 CA MET A 87 11.127 12.000 0.462 1.00 0.00 C ATOM 1250 C MET A 87 10.730 12.493 -0.944 1.00 0.00 C ATOM 1251 O MET A 87 11.309 12.067 -1.944 1.00 0.00 O ATOM 1252 CB MET A 87 11.744 13.113 1.335 1.00 0.00 C ATOM 1253 CG MET A 87 13.041 13.727 0.792 1.00 0.00 C ATOM 1254 SD MET A 87 12.825 14.966 -0.515 1.00 0.00 S ATOM 1255 CE MET A 87 14.564 15.392 -0.795 1.00 0.00 C ATOM 0 H MET A 87 12.915 11.055 0.942 1.00 0.00 H new ATOM 0 HA MET A 87 10.181 11.679 0.898 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.008 13.908 1.456 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.941 12.707 2.327 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.580 14.187 1.620 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.671 12.924 0.408 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.632 16.150 -1.576 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.996 15.781 0.127 1.00 0.00 H new ATOM 0 HE3 MET A 87 15.111 14.502 -1.105 1.00 0.00 H new ATOM 1265 N LEU A 88 9.738 13.398 -1.026 1.00 0.00 N ATOM 1266 CA LEU A 88 9.209 13.937 -2.283 1.00 0.00 C ATOM 1267 C LEU A 88 8.892 15.421 -2.170 1.00 0.00 C ATOM 1268 O LEU A 88 8.767 15.968 -1.073 1.00 0.00 O ATOM 1269 CB LEU A 88 7.885 13.294 -2.716 1.00 0.00 C ATOM 1270 CG LEU A 88 7.821 11.767 -2.650 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.151 11.334 -1.346 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.025 11.241 -3.840 1.00 0.00 C ATOM 0 H LEU A 88 9.275 13.780 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 88 9.999 13.727 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.088 13.697 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.674 13.602 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 88 8.832 11.360 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.108 10.246 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.727 11.708 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.140 11.739 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.979 10.153 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.015 11.649 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.512 11.545 -4.767 1.00 0.00 H new ATOM 1284 N SER A 89 8.593 16.022 -3.319 1.00 0.00 N ATOM 1285 CA SER A 89 8.152 17.388 -3.474 1.00 0.00 C ATOM 1286 C SER A 89 6.619 17.536 -3.516 1.00 0.00 C ATOM 1287 O SER A 89 6.009 17.606 -4.586 1.00 0.00 O ATOM 1288 CB SER A 89 8.855 17.977 -4.706 1.00 0.00 C ATOM 1289 OG SER A 89 8.946 17.028 -5.764 1.00 0.00 O ATOM 0 H SER A 89 8.659 15.533 -4.212 1.00 0.00 H new ATOM 0 HA SER A 89 8.436 17.959 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.310 18.855 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.855 18.311 -4.429 1.00 0.00 H new ATOM 0 HG SER A 89 8.052 16.684 -5.973 1.00 0.00 H new ATOM 1295 N ARG A 90 5.972 17.536 -2.345 1.00 0.00 N ATOM 1296 CA ARG A 90 4.532 17.819 -2.179 1.00 0.00 C ATOM 1297 C ARG A 90 3.555 16.971 -3.022 1.00 0.00 C ATOM 1298 O ARG A 90 2.772 17.511 -3.809 1.00 0.00 O ATOM 1299 CB ARG A 90 4.395 19.355 -2.349 1.00 0.00 C ATOM 1300 CG ARG A 90 3.009 20.018 -2.197 1.00 0.00 C ATOM 1301 CD ARG A 90 2.638 20.925 -3.384 1.00 0.00 C ATOM 1302 NE ARG A 90 2.747 20.222 -4.677 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.220 20.569 -5.856 1.00 0.00 C ATOM 1304 NH1 ARG A 90 1.463 21.650 -6.003 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.441 19.795 -6.908 1.00 0.00 N ATOM 0 H ARG A 90 6.442 17.335 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 90 4.205 17.498 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.062 19.824 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.771 19.608 -3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.252 19.241 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.993 20.606 -1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.619 21.290 -3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.291 21.798 -3.390 1.00 0.00 H new ATOM 0 HE ARG A 90 3.294 19.361 -4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.266 22.248 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.078 21.883 -6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.005 18.951 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.047 20.043 -7.816 1.00 0.00 H new ATOM 1319 N TRP A 91 3.526 15.652 -2.846 1.00 0.00 N ATOM 1320 CA TRP A 91 2.699 14.740 -3.645 1.00 0.00 C ATOM 1321 C TRP A 91 1.257 14.650 -3.109 1.00 0.00 C ATOM 1322 O TRP A 91 0.995 14.035 -2.072 1.00 0.00 O ATOM 1323 CB TRP A 91 3.369 13.355 -3.682 1.00 0.00 C ATOM 1324 CG TRP A 91 3.490 12.766 -5.047 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.555 12.027 -5.679 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.616 12.850 -5.964 1.00 0.00 C ATOM 1327 NE1 TRP A 91 3.032 11.641 -6.914 1.00 0.00 N ATOM 1328 CE2 TRP A 91 4.331 12.054 -7.110 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.862 13.501 -5.923 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 5.265 11.857 -8.137 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.827 13.280 -6.920 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.533 12.459 -8.026 1.00 0.00 C ATOM 0 H TRP A 91 4.083 15.176 -2.136 1.00 0.00 H new ATOM 0 HA TRP A 91 2.625 15.133 -4.659 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.364 13.434 -3.244 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.798 12.671 -3.054 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.583 11.776 -5.280 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.489 11.114 -7.598 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.080 14.181 -5.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 5.016 11.254 -8.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.800 13.742 -6.838 1.00 0.00 H new ATOM 0 HH2 TRP A 91 7.279 12.291 -8.788 1.00 0.00 H new ATOM 1343 N SER A 92 0.279 15.236 -3.805 1.00 0.00 N ATOM 1344 CA SER A 92 -1.136 15.138 -3.436 1.00 0.00 C ATOM 1345 C SER A 92 -1.788 13.823 -3.886 1.00 0.00 C ATOM 1346 O SER A 92 -2.974 13.787 -4.218 1.00 0.00 O ATOM 1347 CB SER A 92 -1.894 16.362 -3.938 1.00 0.00 C ATOM 1348 OG SER A 92 -1.413 17.546 -3.322 1.00 0.00 O ATOM 0 H SER A 92 0.447 15.793 -4.643 1.00 0.00 H new ATOM 0 HA SER A 92 -1.190 15.122 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.787 16.442 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.958 16.246 -3.730 1.00 0.00 H new ATOM 0 HG SER A 92 -1.913 18.318 -3.661 1.00 0.00 H new ATOM 1354 N ALA A 93 -1.028 12.734 -3.886 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.487 11.389 -4.148 1.00 0.00 C ATOM 1356 C ALA A 93 -0.573 10.524 -3.289 1.00 0.00 C ATOM 1357 O ALA A 93 0.565 10.253 -3.677 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.418 11.075 -5.649 1.00 0.00 C ATOM 0 H ALA A 93 -0.027 12.775 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.533 11.217 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.768 10.058 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.049 11.775 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.388 11.169 -5.993 1.00 0.00 H new ATOM 1364 N SER A 94 -1.022 10.204 -2.080 1.00 0.00 N ATOM 1365 CA SER A 94 -0.271 9.422 -1.114 1.00 0.00 C ATOM 1366 C SER A 94 -1.207 8.385 -0.483 1.00 0.00 C ATOM 1367 O SER A 94 -2.428 8.454 -0.654 1.00 0.00 O ATOM 1368 CB SER A 94 0.346 10.363 -0.066 1.00 0.00 C ATOM 1369 OG SER A 94 1.184 11.368 -0.630 1.00 0.00 O ATOM 0 H SER A 94 -1.940 10.490 -1.740 1.00 0.00 H new ATOM 0 HA SER A 94 0.548 8.888 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.455 10.842 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.926 9.773 0.644 1.00 0.00 H new ATOM 0 HG SER A 94 0.629 12.075 -1.021 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.650 7.426 0.254 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.381 6.398 0.973 1.00 0.00 C ATOM 1377 C PHE A 95 -0.521 5.814 2.087 1.00 0.00 C ATOM 1378 O PHE A 95 0.634 6.186 2.258 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.809 5.288 -0.015 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.694 4.426 -0.597 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.006 4.844 -1.746 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.395 3.171 -0.029 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.989 4.019 -2.321 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.569 2.335 -0.619 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.261 2.756 -1.768 1.00 0.00 C ATOM 0 H PHE A 95 0.360 7.345 0.368 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.269 6.839 1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.516 4.633 0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.345 5.755 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.214 5.805 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.909 2.850 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.536 4.357 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.778 1.367 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.998 2.112 -2.224 1.00 0.00 H new ATOM 1395 N THR A 96 -1.101 4.932 2.885 1.00 0.00 N ATOM 1396 CA THR A 96 -0.441 4.152 3.907 1.00 0.00 C ATOM 1397 C THR A 96 -1.158 2.804 3.833 1.00 0.00 C ATOM 1398 O THR A 96 -2.351 2.728 3.524 1.00 0.00 O ATOM 1399 CB THR A 96 -0.440 4.818 5.294 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.562 4.193 6.071 1.00 0.00 O ATOM 1401 CG2 THR A 96 -1.777 4.742 6.034 1.00 0.00 C ATOM 0 H THR A 96 -2.100 4.734 2.830 1.00 0.00 H new ATOM 0 HA THR A 96 0.631 4.047 3.738 1.00 0.00 H new ATOM 0 HB THR A 96 -0.250 5.880 5.143 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.444 4.499 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.686 5.236 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.548 5.238 5.444 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.051 3.698 6.184 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.412 1.721 3.972 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.961 0.383 3.878 1.00 0.00 C ATOM 1411 C VAL A 97 -1.027 -0.255 5.271 1.00 0.00 C ATOM 1412 O VAL A 97 -0.335 0.198 6.181 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.209 -0.317 2.742 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.249 -0.637 3.047 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.910 -1.584 2.309 1.00 0.00 C ATOM 0 H VAL A 97 0.591 1.747 4.153 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.009 0.319 3.585 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.212 0.413 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.701 -1.131 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.788 0.287 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.303 -1.296 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.348 -2.053 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.975 -2.271 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.914 -1.343 1.960 1.00 0.00 H new ATOM 1425 N THR A 98 -1.864 -1.273 5.454 1.00 0.00 N ATOM 1426 CA THR A 98 -2.133 -1.955 6.716 1.00 0.00 C ATOM 1427 C THR A 98 -2.487 -3.425 6.422 1.00 0.00 C ATOM 1428 O THR A 98 -2.542 -3.810 5.249 1.00 0.00 O ATOM 1429 CB THR A 98 -3.275 -1.231 7.460 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.444 -1.159 6.659 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.927 0.191 7.911 1.00 0.00 C ATOM 0 H THR A 98 -2.403 -1.666 4.682 1.00 0.00 H new ATOM 0 HA THR A 98 -1.253 -1.935 7.359 1.00 0.00 H new ATOM 0 HB THR A 98 -3.445 -1.835 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.196 -1.212 5.712 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.782 0.629 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.074 0.159 8.588 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.677 0.798 7.041 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.768 -4.232 7.453 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.195 -5.623 7.278 1.00 0.00 C ATOM 1441 C LEU A 99 -4.636 -5.656 6.769 1.00 0.00 C ATOM 1442 O LEU A 99 -5.367 -4.668 6.900 1.00 0.00 O ATOM 1443 CB LEU A 99 -3.177 -6.410 8.608 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.862 -6.516 9.405 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.919 -7.758 10.301 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -0.611 -6.563 8.526 1.00 0.00 C ATOM 0 H LEU A 99 -2.706 -3.939 8.428 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.499 -6.078 6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.922 -5.961 9.264 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.512 -7.425 8.393 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.777 -5.608 10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.992 -7.840 10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.759 -7.672 10.990 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.046 -8.647 9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.275 -6.637 9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.661 -7.430 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.554 -5.655 7.926 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.047 -6.792 6.210 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.424 -7.020 5.801 1.00 0.00 C ATOM 1460 C GLU A 100 -7.172 -7.548 7.018 1.00 0.00 C ATOM 1461 O GLU A 100 -8.157 -6.905 7.436 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.484 -8.016 4.634 1.00 0.00 C ATOM 1463 CG GLU A 100 -7.894 -8.062 4.026 1.00 0.00 C ATOM 1464 CD GLU A 100 -8.237 -9.414 3.403 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -8.464 -10.374 4.179 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -8.413 -9.515 2.169 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.770 -8.607 7.539 1.00 0.00 O ATOM 0 H GLU A 100 -4.428 -7.582 6.029 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.883 -6.096 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.763 -7.730 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.201 -9.009 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.625 -7.831 4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.980 -7.286 3.265 1.00 0.00 H new