USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 730 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 180:sc= 0.906 USER MOD Set 1.2: A 94 SER OG : rot 69:sc= 0.937 USER MOD Set 2.1: A 41 TYR OH : rot -23:sc= 1.32 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.59 K(o=2.9,f=-6!) USER MOD Set 3.1: A 34 SER OG : rot -117:sc= 1.27 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.169 USER MOD Set 3.3: A 86 GLN : amide:sc= 0.653 K(o=2.1,f=1) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -150:sc= 0.537 (180deg=0) USER MOD Set 4.2: A 67 TYR OH : rot 180:sc= 0.557 USER MOD Single : A 1 THR N :NH3+ 143:sc= 0.0839 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -38:sc= 0.128 USER MOD Single : A 10 THR OG1 : rot -140:sc= -0.106 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.716 USER MOD Single : A 45 SER OG : rot 77:sc= 1.26 USER MOD Single : A 46 SER OG : rot 180:sc= 0.601 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0013 USER MOD Single : A 59 ASN : amide:sc= 0.561 K(o=0.56,f=-1.8!) USER MOD Single : A 60 SER OG : rot -36:sc= 0.0342 USER MOD Single : A 68 SER OG : rot 160:sc= -0.407 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.203 USER MOD Single : A 81 ASN : amide:sc= 0.818 K(o=0.82,f=-0.1) USER MOD Single : A 84 GLN : amide:sc= 1.21 K(o=1.2,f=-0.081) USER MOD Single : A 85 SER OG : rot 180:sc= 0.141 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.035 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 69:sc= 1.18 USER MOD Single : A 98 THR OG1 : rot -17:sc= 0.715 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -18.948 -8.790 -3.510 1.00 0.00 N ATOM 2 CA THR A 1 -18.134 -7.578 -3.651 1.00 0.00 C ATOM 3 C THR A 1 -16.778 -7.876 -3.015 1.00 0.00 C ATOM 4 O THR A 1 -16.736 -8.528 -1.972 1.00 0.00 O ATOM 5 CB THR A 1 -18.870 -6.341 -3.100 1.00 0.00 C ATOM 6 OG1 THR A 1 -18.180 -5.163 -3.467 1.00 0.00 O ATOM 7 CG2 THR A 1 -19.082 -6.343 -1.584 1.00 0.00 C ATOM 0 H1 THR A 1 -19.936 -8.525 -3.321 1.00 0.00 H new ATOM 0 H2 THR A 1 -18.900 -9.344 -4.389 1.00 0.00 H new ATOM 0 H3 THR A 1 -18.586 -9.361 -2.720 1.00 0.00 H new ATOM 0 HA THR A 1 -17.961 -7.316 -4.695 1.00 0.00 H new ATOM 0 HB THR A 1 -19.863 -6.376 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 1 -18.655 -4.382 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 1 -19.607 -5.435 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 1 -19.674 -7.213 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 1 -18.116 -6.383 -1.082 1.00 0.00 H new ATOM 16 N ALA A 2 -15.675 -7.526 -3.677 1.00 0.00 N ATOM 17 CA ALA A 2 -14.386 -8.150 -3.404 1.00 0.00 C ATOM 18 C ALA A 2 -13.219 -7.171 -3.554 1.00 0.00 C ATOM 19 O ALA A 2 -13.359 -6.171 -4.272 1.00 0.00 O ATOM 20 CB ALA A 2 -14.203 -9.321 -4.376 1.00 0.00 C ATOM 0 H ALA A 2 -15.651 -6.813 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.383 -8.492 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.243 -9.803 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.006 -10.043 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.229 -8.951 -5.401 1.00 0.00 H new ATOM 26 N PRO A 3 -12.084 -7.459 -2.886 1.00 0.00 N ATOM 27 CA PRO A 3 -10.835 -6.718 -3.018 1.00 0.00 C ATOM 28 C PRO A 3 -10.297 -6.808 -4.450 1.00 0.00 C ATOM 29 O PRO A 3 -10.847 -7.533 -5.282 1.00 0.00 O ATOM 30 CB PRO A 3 -9.892 -7.360 -1.994 1.00 0.00 C ATOM 31 CG PRO A 3 -10.400 -8.784 -1.858 1.00 0.00 C ATOM 32 CD PRO A 3 -11.900 -8.572 -1.959 1.00 0.00 C ATOM 0 HA PRO A 3 -10.954 -5.651 -2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.858 -7.338 -2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.923 -6.834 -1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.022 -9.433 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.111 -9.235 -0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.398 -9.471 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.329 -8.343 -0.983 1.00 0.00 H new ATOM 40 N ILE A 4 -9.158 -6.172 -4.726 1.00 0.00 N ATOM 41 CA ILE A 4 -8.624 -6.079 -6.076 1.00 0.00 C ATOM 42 C ILE A 4 -7.415 -7.000 -6.099 1.00 0.00 C ATOM 43 O ILE A 4 -6.403 -6.761 -5.438 1.00 0.00 O ATOM 44 CB ILE A 4 -8.208 -4.635 -6.468 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.217 -3.511 -6.141 1.00 0.00 C ATOM 46 CG2 ILE A 4 -7.968 -4.606 -7.987 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.135 -3.015 -4.695 1.00 0.00 C ATOM 0 H ILE A 4 -8.585 -5.710 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.387 -6.364 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.326 -4.423 -5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.044 -2.672 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.227 -3.873 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.674 -3.601 -8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.175 -5.309 -8.244 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.884 -4.888 -8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.872 -2.227 -4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.338 -3.842 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.137 -2.622 -4.501 1.00 0.00 H new ATOM 59 N ALA A 5 -7.512 -8.066 -6.882 1.00 0.00 N ATOM 60 CA ALA A 5 -6.413 -8.985 -7.074 1.00 0.00 C ATOM 61 C ALA A 5 -5.553 -8.346 -8.158 1.00 0.00 C ATOM 62 O ALA A 5 -5.947 -8.267 -9.329 1.00 0.00 O ATOM 63 CB ALA A 5 -6.964 -10.369 -7.408 1.00 0.00 C ATOM 0 H ALA A 5 -8.356 -8.312 -7.399 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.796 -9.150 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.137 -11.064 -7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.592 -10.718 -6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.557 -10.314 -8.321 1.00 0.00 H new ATOM 69 N ILE A 6 -4.396 -7.845 -7.731 1.00 0.00 N ATOM 70 CA ILE A 6 -3.455 -7.066 -8.517 1.00 0.00 C ATOM 71 C ILE A 6 -2.314 -7.939 -9.030 1.00 0.00 C ATOM 72 O ILE A 6 -2.179 -9.099 -8.645 1.00 0.00 O ATOM 73 CB ILE A 6 -3.014 -5.831 -7.693 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.534 -6.037 -6.238 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.190 -4.851 -7.638 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.162 -6.695 -6.118 1.00 0.00 C ATOM 0 H ILE A 6 -4.076 -7.982 -6.772 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.928 -6.684 -9.422 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.128 -5.484 -8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.505 -5.070 -5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.265 -6.649 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.904 -3.971 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.460 -4.550 -8.650 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.044 -5.334 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.901 -6.803 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.188 -7.678 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.416 -6.075 -6.615 1.00 0.00 H new ATOM 88 N THR A 7 -1.506 -7.379 -9.923 1.00 0.00 N ATOM 89 CA THR A 7 -0.437 -8.058 -10.645 1.00 0.00 C ATOM 90 C THR A 7 0.925 -7.947 -9.926 1.00 0.00 C ATOM 91 O THR A 7 1.963 -8.194 -10.535 1.00 0.00 O ATOM 92 CB THR A 7 -0.499 -7.512 -12.093 1.00 0.00 C ATOM 93 OG1 THR A 7 0.323 -8.191 -13.012 1.00 0.00 O ATOM 94 CG2 THR A 7 -0.158 -6.020 -12.203 1.00 0.00 C ATOM 0 H THR A 7 -1.582 -6.394 -10.175 1.00 0.00 H new ATOM 0 HA THR A 7 -0.569 -9.140 -10.677 1.00 0.00 H new ATOM 0 HB THR A 7 -1.544 -7.682 -12.353 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.167 -8.436 -12.578 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.222 -5.708 -13.245 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.863 -5.441 -11.607 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.854 -5.850 -11.835 1.00 0.00 H new ATOM 102 N CYS A 8 0.952 -7.538 -8.647 1.00 0.00 N ATOM 103 CA CYS A 8 2.162 -7.353 -7.827 1.00 0.00 C ATOM 104 C CYS A 8 3.225 -6.427 -8.448 1.00 0.00 C ATOM 105 O CYS A 8 4.364 -6.382 -7.985 1.00 0.00 O ATOM 106 CB CYS A 8 2.704 -8.714 -7.380 1.00 0.00 C ATOM 107 SG CYS A 8 1.629 -9.608 -6.225 1.00 0.00 S ATOM 0 H CYS A 8 0.098 -7.318 -8.135 1.00 0.00 H new ATOM 0 HA CYS A 8 1.865 -6.801 -6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.865 -9.334 -8.262 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.677 -8.567 -6.912 1.00 0.00 H new ATOM 112 N PHE A 9 2.843 -5.640 -9.454 1.00 0.00 N ATOM 113 CA PHE A 9 3.654 -4.599 -10.088 1.00 0.00 C ATOM 114 C PHE A 9 2.921 -3.246 -9.969 1.00 0.00 C ATOM 115 O PHE A 9 3.415 -2.197 -10.378 1.00 0.00 O ATOM 116 CB PHE A 9 3.954 -5.007 -11.535 1.00 0.00 C ATOM 117 CG PHE A 9 5.159 -4.330 -12.165 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.428 -4.436 -11.561 1.00 0.00 C ATOM 119 CD2 PHE A 9 5.039 -3.671 -13.403 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.558 -3.872 -12.179 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.169 -3.109 -14.022 1.00 0.00 C ATOM 122 CZ PHE A 9 7.428 -3.204 -13.407 1.00 0.00 C ATOM 0 H PHE A 9 1.914 -5.714 -9.870 1.00 0.00 H new ATOM 0 HA PHE A 9 4.615 -4.483 -9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.107 -6.086 -11.566 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.077 -4.791 -12.145 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.533 -4.953 -10.619 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.073 -3.597 -13.880 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.527 -3.953 -11.709 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.069 -2.604 -14.971 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.295 -2.764 -13.878 1.00 0.00 H new ATOM 132 N THR A 10 1.704 -3.271 -9.423 1.00 0.00 N ATOM 133 CA THR A 10 0.797 -2.169 -9.173 1.00 0.00 C ATOM 134 C THR A 10 1.384 -1.212 -8.118 1.00 0.00 C ATOM 135 O THR A 10 1.919 -1.650 -7.096 1.00 0.00 O ATOM 136 CB THR A 10 -0.514 -2.838 -8.720 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.817 -3.913 -9.598 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.732 -1.925 -8.700 1.00 0.00 C ATOM 0 H THR A 10 1.297 -4.155 -9.118 1.00 0.00 H new ATOM 0 HA THR A 10 0.628 -1.545 -10.050 1.00 0.00 H new ATOM 0 HB THR A 10 -0.329 -3.155 -7.694 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.781 -3.931 -9.773 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.604 -2.489 -8.368 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.554 -1.096 -8.016 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.912 -1.536 -9.702 1.00 0.00 H new ATOM 146 N ARG A 11 1.280 0.094 -8.364 1.00 0.00 N ATOM 147 CA ARG A 11 1.702 1.183 -7.484 1.00 0.00 C ATOM 148 C ARG A 11 0.490 1.852 -6.848 1.00 0.00 C ATOM 149 O ARG A 11 -0.646 1.611 -7.264 1.00 0.00 O ATOM 150 CB ARG A 11 2.486 2.213 -8.326 1.00 0.00 C ATOM 151 CG ARG A 11 3.790 1.601 -8.843 1.00 0.00 C ATOM 152 CD ARG A 11 4.645 2.566 -9.672 1.00 0.00 C ATOM 153 NE ARG A 11 4.189 2.635 -11.074 1.00 0.00 N ATOM 154 CZ ARG A 11 4.825 2.156 -12.152 1.00 0.00 C ATOM 155 NH1 ARG A 11 6.001 1.545 -12.051 1.00 0.00 N ATOM 156 NH2 ARG A 11 4.250 2.297 -13.338 1.00 0.00 N ATOM 0 H ARG A 11 0.875 0.440 -9.234 1.00 0.00 H new ATOM 0 HA ARG A 11 2.332 0.788 -6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.875 2.546 -9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.705 3.094 -7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.376 1.250 -7.994 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.554 0.727 -9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.606 3.560 -9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.686 2.245 -9.644 1.00 0.00 H new ATOM 0 HE ARG A 11 3.295 3.096 -11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.440 1.432 -11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.464 1.189 -12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.345 2.761 -13.414 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.713 1.941 -14.175 1.00 0.00 H new ATOM 170 N GLY A 12 0.722 2.748 -5.891 1.00 0.00 N ATOM 171 CA GLY A 12 -0.332 3.566 -5.295 1.00 0.00 C ATOM 172 C GLY A 12 -0.960 4.501 -6.339 1.00 0.00 C ATOM 173 O GLY A 12 -2.066 4.986 -6.126 1.00 0.00 O ATOM 0 H GLY A 12 1.649 2.928 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.101 2.921 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.079 4.155 -4.475 1.00 0.00 H new ATOM 177 N LEU A 13 -0.298 4.700 -7.488 1.00 0.00 N ATOM 178 CA LEU A 13 -0.789 5.446 -8.646 1.00 0.00 C ATOM 179 C LEU A 13 -1.930 4.690 -9.291 1.00 0.00 C ATOM 180 O LEU A 13 -2.850 5.292 -9.843 1.00 0.00 O ATOM 181 CB LEU A 13 0.300 5.508 -9.738 1.00 0.00 C ATOM 182 CG LEU A 13 1.477 6.454 -9.475 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.694 5.967 -10.262 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.149 7.889 -9.892 1.00 0.00 C ATOM 0 H LEU A 13 0.639 4.325 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.082 6.436 -8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.696 4.503 -9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.172 5.803 -10.675 1.00 0.00 H new ATOM 0 HG LEU A 13 1.685 6.451 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.536 6.635 -10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.955 4.959 -9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.460 5.960 -11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.006 8.531 -9.691 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.918 7.915 -10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.288 8.245 -9.326 1.00 0.00 H new ATOM 196 N ASP A 14 -1.824 3.368 -9.302 1.00 0.00 N ATOM 197 CA ASP A 14 -2.759 2.519 -9.994 1.00 0.00 C ATOM 198 C ASP A 14 -4.060 2.406 -9.211 1.00 0.00 C ATOM 199 O ASP A 14 -5.122 2.456 -9.830 1.00 0.00 O ATOM 200 CB ASP A 14 -2.110 1.170 -10.296 1.00 0.00 C ATOM 201 CG ASP A 14 -0.885 1.296 -11.209 1.00 0.00 C ATOM 202 OD1 ASP A 14 -0.966 1.982 -12.255 1.00 0.00 O ATOM 203 OD2 ASP A 14 0.190 0.750 -10.876 1.00 0.00 O ATOM 0 H ASP A 14 -1.079 2.860 -8.825 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.024 2.962 -10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.814 0.696 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.844 0.515 -10.767 1.00 0.00 H new ATOM 208 N ILE A 15 -4.012 2.341 -7.875 1.00 0.00 N ATOM 209 CA ILE A 15 -5.183 2.159 -7.015 1.00 0.00 C ATOM 210 C ILE A 15 -5.230 3.308 -6.009 1.00 0.00 C ATOM 211 O ILE A 15 -4.636 3.240 -4.937 1.00 0.00 O ATOM 212 CB ILE A 15 -5.184 0.746 -6.381 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.273 -0.304 -7.512 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.356 0.546 -5.399 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.452 -1.746 -7.043 1.00 0.00 C ATOM 0 H ILE A 15 -3.139 2.415 -7.353 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.106 2.202 -7.592 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.262 0.629 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.107 -0.044 -8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.367 -0.244 -8.115 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.313 -0.460 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.285 1.277 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.300 0.679 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.504 -2.406 -7.909 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.607 -2.033 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.374 -1.830 -6.467 1.00 0.00 H new ATOM 227 N ARG A 16 -5.982 4.358 -6.352 1.00 0.00 N ATOM 228 CA ARG A 16 -6.067 5.603 -5.585 1.00 0.00 C ATOM 229 C ARG A 16 -7.414 5.754 -4.876 1.00 0.00 C ATOM 230 O ARG A 16 -7.872 6.878 -4.665 1.00 0.00 O ATOM 231 CB ARG A 16 -5.779 6.786 -6.527 1.00 0.00 C ATOM 232 CG ARG A 16 -4.345 6.786 -7.078 1.00 0.00 C ATOM 233 CD ARG A 16 -4.201 7.691 -8.299 1.00 0.00 C ATOM 234 NE ARG A 16 -4.662 9.060 -8.046 1.00 0.00 N ATOM 235 CZ ARG A 16 -5.096 9.926 -8.965 1.00 0.00 C ATOM 236 NH1 ARG A 16 -5.073 9.619 -10.259 1.00 0.00 N ATOM 237 NH2 ARG A 16 -5.548 11.103 -8.565 1.00 0.00 N ATOM 0 H ARG A 16 -6.562 4.365 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.318 5.583 -4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.481 6.758 -7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.956 7.719 -5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.657 7.116 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.059 5.769 -7.345 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.156 7.715 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.768 7.268 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.650 9.381 -7.078 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.720 8.711 -10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.408 10.292 -10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.560 11.334 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.884 11.780 -9.250 1.00 0.00 H new ATOM 251 N LYS A 17 -8.077 4.656 -4.501 1.00 0.00 N ATOM 252 CA LYS A 17 -9.348 4.785 -3.785 1.00 0.00 C ATOM 253 C LYS A 17 -9.061 5.241 -2.356 1.00 0.00 C ATOM 254 O LYS A 17 -7.955 5.043 -1.857 1.00 0.00 O ATOM 255 CB LYS A 17 -10.133 3.464 -3.740 1.00 0.00 C ATOM 256 CG LYS A 17 -10.617 2.951 -5.103 1.00 0.00 C ATOM 257 CD LYS A 17 -9.654 1.949 -5.748 1.00 0.00 C ATOM 258 CE LYS A 17 -10.300 1.250 -6.947 1.00 0.00 C ATOM 259 NZ LYS A 17 -10.541 2.161 -8.082 1.00 0.00 N ATOM 0 H LYS A 17 -7.768 3.699 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.959 5.513 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.504 2.700 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.998 3.595 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.593 2.480 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.753 3.798 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.750 2.466 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.351 1.206 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.657 0.433 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.246 0.807 -6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.979 1.633 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.177 2.928 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.637 2.565 -8.401 1.00 0.00 H new ATOM 273 N GLU A 18 -10.094 5.760 -1.689 1.00 0.00 N ATOM 274 CA GLU A 18 -10.086 6.150 -0.280 1.00 0.00 C ATOM 275 C GLU A 18 -9.455 5.043 0.571 1.00 0.00 C ATOM 276 O GLU A 18 -8.620 5.290 1.443 1.00 0.00 O ATOM 277 CB GLU A 18 -11.526 6.440 0.153 1.00 0.00 C ATOM 278 CG GLU A 18 -11.600 6.922 1.604 1.00 0.00 C ATOM 279 CD GLU A 18 -13.049 7.017 2.054 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.664 5.957 2.323 1.00 0.00 O ATOM 281 OE2 GLU A 18 -13.591 8.142 2.150 1.00 0.00 O ATOM 0 H GLU A 18 -10.996 5.926 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.486 7.049 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.957 7.196 -0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.128 5.538 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.055 6.235 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.119 7.896 1.696 1.00 0.00 H new ATOM 288 N LYS A 19 -9.887 3.807 0.339 1.00 0.00 N ATOM 289 CA LYS A 19 -9.324 2.613 0.934 1.00 0.00 C ATOM 290 C LYS A 19 -9.559 1.499 -0.072 1.00 0.00 C ATOM 291 O LYS A 19 -10.547 1.542 -0.815 1.00 0.00 O ATOM 292 CB LYS A 19 -9.894 2.364 2.342 1.00 0.00 C ATOM 293 CG LYS A 19 -11.324 1.795 2.422 1.00 0.00 C ATOM 294 CD LYS A 19 -11.353 0.276 2.668 1.00 0.00 C ATOM 295 CE LYS A 19 -10.826 -0.111 4.061 1.00 0.00 C ATOM 296 NZ LYS A 19 -11.751 0.263 5.152 1.00 0.00 N ATOM 0 H LYS A 19 -10.665 3.609 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.253 2.696 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.226 1.678 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.872 3.307 2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.865 2.298 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.850 2.017 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.375 -0.086 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.754 -0.223 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.652 -1.187 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.863 0.372 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.207 0.464 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.288 1.110 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.410 -0.521 5.333 1.00 0.00 H new ATOM 310 N ALA A 20 -8.656 0.532 -0.140 1.00 0.00 N ATOM 311 CA ALA A 20 -8.697 -0.536 -1.117 1.00 0.00 C ATOM 312 C ALA A 20 -8.021 -1.744 -0.503 1.00 0.00 C ATOM 313 O ALA A 20 -6.892 -1.640 -0.027 1.00 0.00 O ATOM 314 CB ALA A 20 -7.948 -0.113 -2.386 1.00 0.00 C ATOM 0 H ALA A 20 -7.861 0.470 0.496 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.727 -0.767 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.983 -0.922 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.418 0.776 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.910 0.108 -2.139 1.00 0.00 H new ATOM 320 N ASP A 21 -8.704 -2.878 -0.490 1.00 0.00 N ATOM 321 CA ASP A 21 -8.102 -4.126 -0.053 1.00 0.00 C ATOM 322 C ASP A 21 -7.605 -4.769 -1.333 1.00 0.00 C ATOM 323 O ASP A 21 -8.341 -4.821 -2.318 1.00 0.00 O ATOM 324 CB ASP A 21 -9.107 -5.023 0.666 1.00 0.00 C ATOM 325 CG ASP A 21 -9.300 -4.620 2.117 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.058 -3.660 2.396 1.00 0.00 O ATOM 327 OD2 ASP A 21 -8.780 -5.322 3.009 1.00 0.00 O ATOM 0 H ASP A 21 -9.679 -2.959 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.303 -3.962 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.065 -4.980 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.766 -6.057 0.620 1.00 0.00 H new ATOM 332 N VAL A 22 -6.353 -5.198 -1.357 1.00 0.00 N ATOM 333 CA VAL A 22 -5.696 -5.732 -2.542 1.00 0.00 C ATOM 334 C VAL A 22 -5.144 -7.130 -2.238 1.00 0.00 C ATOM 335 O VAL A 22 -4.779 -7.401 -1.099 1.00 0.00 O ATOM 336 CB VAL A 22 -4.621 -4.733 -3.032 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.221 -3.375 -3.433 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.522 -4.463 -1.989 1.00 0.00 C ATOM 0 H VAL A 22 -5.750 -5.185 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.406 -5.851 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.182 -5.222 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.425 -2.711 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.939 -3.519 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.725 -2.932 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.800 -3.755 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.971 -4.046 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.015 -5.397 -1.744 1.00 0.00 H new ATOM 348 N LEU A 23 -5.071 -8.026 -3.226 1.00 0.00 N ATOM 349 CA LEU A 23 -4.451 -9.352 -3.112 1.00 0.00 C ATOM 350 C LEU A 23 -3.226 -9.359 -4.009 1.00 0.00 C ATOM 351 O LEU A 23 -3.359 -9.095 -5.207 1.00 0.00 O ATOM 352 CB LEU A 23 -5.401 -10.503 -3.520 1.00 0.00 C ATOM 353 CG LEU A 23 -6.427 -11.017 -2.494 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.769 -11.983 -1.506 1.00 0.00 C ATOM 355 CD2 LEU A 23 -7.161 -9.913 -1.737 1.00 0.00 C ATOM 0 H LEU A 23 -5.452 -7.845 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.194 -9.525 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.951 -10.179 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.784 -11.349 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.184 -11.541 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.512 -12.334 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.358 -12.834 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.967 -11.470 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.865 -10.359 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.440 -9.305 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.703 -9.285 -2.444 1.00 0.00 H new ATOM 367 N CYS A 24 -2.060 -9.666 -3.439 1.00 0.00 N ATOM 368 CA CYS A 24 -0.813 -9.817 -4.169 1.00 0.00 C ATOM 369 C CYS A 24 -0.548 -11.323 -4.336 1.00 0.00 C ATOM 370 O CYS A 24 -0.175 -11.955 -3.345 1.00 0.00 O ATOM 371 CB CYS A 24 0.345 -9.146 -3.398 1.00 0.00 C ATOM 372 SG CYS A 24 1.800 -8.708 -4.396 1.00 0.00 S ATOM 0 H CYS A 24 -1.960 -9.819 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.883 -9.336 -5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.034 -8.241 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.663 -9.816 -2.599 1.00 0.00 H new ATOM 377 N PRO A 25 -0.791 -11.944 -5.503 1.00 0.00 N ATOM 378 CA PRO A 25 -0.429 -13.337 -5.727 1.00 0.00 C ATOM 379 C PRO A 25 1.070 -13.483 -5.982 1.00 0.00 C ATOM 380 O PRO A 25 1.716 -12.591 -6.532 1.00 0.00 O ATOM 381 CB PRO A 25 -1.198 -13.764 -6.972 1.00 0.00 C ATOM 382 CG PRO A 25 -1.290 -12.466 -7.768 1.00 0.00 C ATOM 383 CD PRO A 25 -1.439 -11.398 -6.683 1.00 0.00 C ATOM 0 HA PRO A 25 -0.669 -13.947 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.673 -14.543 -7.526 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.184 -14.158 -6.724 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.399 -12.302 -8.374 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.142 -12.470 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.972 -10.462 -6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.489 -11.182 -6.488 1.00 0.00 H new ATOM 391 N GLY A 26 1.595 -14.672 -5.716 1.00 0.00 N ATOM 392 CA GLY A 26 2.993 -14.974 -5.974 1.00 0.00 C ATOM 393 C GLY A 26 3.914 -14.303 -4.955 1.00 0.00 C ATOM 394 O GLY A 26 3.491 -13.484 -4.141 1.00 0.00 O ATOM 0 H GLY A 26 1.066 -15.448 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.143 -16.053 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.258 -14.642 -6.978 1.00 0.00 H new ATOM 398 N GLY A 27 5.204 -14.608 -5.051 1.00 0.00 N ATOM 399 CA GLY A 27 6.233 -14.201 -4.104 1.00 0.00 C ATOM 400 C GLY A 27 6.679 -12.743 -4.133 1.00 0.00 C ATOM 401 O GLY A 27 7.514 -12.400 -3.295 1.00 0.00 O ATOM 0 H GLY A 27 5.574 -15.167 -5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.872 -14.423 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.111 -14.825 -4.272 1.00 0.00 H new ATOM 405 N CYS A 28 6.159 -11.920 -5.055 1.00 0.00 N ATOM 406 CA CYS A 28 6.539 -10.528 -5.333 1.00 0.00 C ATOM 407 C CYS A 28 8.019 -10.248 -5.002 1.00 0.00 C ATOM 408 O CYS A 28 8.314 -9.662 -3.959 1.00 0.00 O ATOM 409 CB CYS A 28 5.588 -9.512 -4.673 1.00 0.00 C ATOM 410 SG CYS A 28 5.757 -7.860 -5.422 1.00 0.00 S ATOM 0 H CYS A 28 5.408 -12.233 -5.670 1.00 0.00 H new ATOM 0 HA CYS A 28 6.431 -10.391 -6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.559 -9.856 -4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.800 -9.453 -3.606 1.00 0.00 H new ATOM 415 N PRO A 29 8.969 -10.697 -5.839 1.00 0.00 N ATOM 416 CA PRO A 29 10.387 -10.520 -5.560 1.00 0.00 C ATOM 417 C PRO A 29 10.745 -9.037 -5.668 1.00 0.00 C ATOM 418 O PRO A 29 10.041 -8.273 -6.333 1.00 0.00 O ATOM 419 CB PRO A 29 11.109 -11.367 -6.612 1.00 0.00 C ATOM 420 CG PRO A 29 10.150 -11.349 -7.802 1.00 0.00 C ATOM 421 CD PRO A 29 8.768 -11.288 -7.151 1.00 0.00 C ATOM 0 HA PRO A 29 10.671 -10.832 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.079 -10.944 -6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.289 -12.382 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.328 -10.488 -8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.263 -12.239 -8.421 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.082 -10.688 -7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.332 -12.283 -7.068 1.00 0.00 H new ATOM 429 N LEU A 30 11.869 -8.634 -5.067 1.00 0.00 N ATOM 430 CA LEU A 30 12.381 -7.270 -5.118 1.00 0.00 C ATOM 431 C LEU A 30 13.055 -7.020 -6.473 1.00 0.00 C ATOM 432 O LEU A 30 14.255 -6.788 -6.559 1.00 0.00 O ATOM 433 CB LEU A 30 13.334 -6.997 -3.940 1.00 0.00 C ATOM 434 CG LEU A 30 12.662 -7.172 -2.562 1.00 0.00 C ATOM 435 CD1 LEU A 30 12.935 -8.558 -1.961 1.00 0.00 C ATOM 436 CD2 LEU A 30 13.165 -6.101 -1.588 1.00 0.00 C ATOM 0 H LEU A 30 12.457 -9.264 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 30 11.551 -6.571 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.188 -7.670 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.721 -5.981 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 30 11.588 -7.069 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.443 -8.637 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.547 -9.327 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.009 -8.695 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.683 -6.235 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.245 -6.193 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.925 -5.112 -1.979 1.00 0.00 H new ATOM 448 N GLU A 31 12.257 -7.086 -7.532 1.00 0.00 N ATOM 449 CA GLU A 31 12.640 -6.864 -8.920 1.00 0.00 C ATOM 450 C GLU A 31 12.718 -5.348 -9.144 1.00 0.00 C ATOM 451 O GLU A 31 13.642 -4.847 -9.776 1.00 0.00 O ATOM 452 CB GLU A 31 11.577 -7.577 -9.769 1.00 0.00 C ATOM 453 CG GLU A 31 11.963 -7.941 -11.203 1.00 0.00 C ATOM 454 CD GLU A 31 11.048 -9.081 -11.666 1.00 0.00 C ATOM 455 OE1 GLU A 31 9.828 -8.853 -11.867 1.00 0.00 O ATOM 456 OE2 GLU A 31 11.488 -10.250 -11.703 1.00 0.00 O ATOM 0 H GLU A 31 11.266 -7.309 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 31 13.616 -7.265 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.290 -8.493 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.692 -6.942 -9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.855 -7.076 -11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.008 -8.248 -11.250 1.00 0.00 H new ATOM 463 N GLU A 32 11.764 -4.609 -8.568 1.00 0.00 N ATOM 464 CA GLU A 32 11.731 -3.156 -8.540 1.00 0.00 C ATOM 465 C GLU A 32 11.004 -2.751 -7.247 1.00 0.00 C ATOM 466 O GLU A 32 9.772 -2.651 -7.286 1.00 0.00 O ATOM 467 CB GLU A 32 10.908 -2.544 -9.701 1.00 0.00 C ATOM 468 CG GLU A 32 11.438 -2.350 -11.127 1.00 0.00 C ATOM 469 CD GLU A 32 10.409 -1.551 -11.971 1.00 0.00 C ATOM 470 OE1 GLU A 32 9.486 -0.909 -11.397 1.00 0.00 O ATOM 471 OE2 GLU A 32 10.474 -1.574 -13.215 1.00 0.00 O ATOM 0 H GLU A 32 10.966 -5.030 -8.092 1.00 0.00 H new ATOM 0 HA GLU A 32 12.758 -2.799 -8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.011 -3.156 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.589 -1.559 -9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.390 -1.819 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.626 -3.319 -11.589 1.00 0.00 H new ATOM 478 N PHE A 33 11.653 -2.576 -6.084 1.00 0.00 N ATOM 479 CA PHE A 33 10.918 -2.043 -4.948 1.00 0.00 C ATOM 480 C PHE A 33 11.512 -0.654 -4.795 1.00 0.00 C ATOM 481 O PHE A 33 12.673 -0.503 -4.410 1.00 0.00 O ATOM 482 CB PHE A 33 11.062 -2.907 -3.688 1.00 0.00 C ATOM 483 CG PHE A 33 10.180 -4.145 -3.561 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.626 -4.826 -4.664 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.890 -4.611 -2.268 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.821 -5.962 -4.465 1.00 0.00 C ATOM 487 CE2 PHE A 33 9.090 -5.745 -2.067 1.00 0.00 C ATOM 488 CZ PHE A 33 8.573 -6.437 -3.168 1.00 0.00 C ATOM 0 H PHE A 33 12.637 -2.787 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 33 9.839 -2.027 -5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.101 -3.230 -3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.870 -2.271 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.821 -4.474 -5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 33 10.290 -4.086 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.391 -6.471 -5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.873 -6.084 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.986 -7.332 -3.020 1.00 0.00 H new ATOM 498 N SER A 34 10.688 0.348 -5.061 1.00 0.00 N ATOM 499 CA SER A 34 10.954 1.753 -4.889 1.00 0.00 C ATOM 500 C SER A 34 9.797 2.235 -4.036 1.00 0.00 C ATOM 501 O SER A 34 8.621 1.991 -4.339 1.00 0.00 O ATOM 502 CB SER A 34 11.042 2.455 -6.250 1.00 0.00 C ATOM 503 OG SER A 34 11.601 3.749 -6.110 1.00 0.00 O ATOM 0 H SER A 34 9.751 0.180 -5.428 1.00 0.00 H new ATOM 0 HA SER A 34 11.910 1.968 -4.412 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.651 1.862 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.048 2.528 -6.692 1.00 0.00 H new ATOM 0 HG SER A 34 10.941 4.421 -6.379 1.00 0.00 H new ATOM 509 N VAL A 35 10.137 2.851 -2.916 1.00 0.00 N ATOM 510 CA VAL A 35 9.180 3.345 -1.955 1.00 0.00 C ATOM 511 C VAL A 35 9.492 4.829 -1.808 1.00 0.00 C ATOM 512 O VAL A 35 10.621 5.272 -2.053 1.00 0.00 O ATOM 513 CB VAL A 35 9.276 2.480 -0.683 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.238 2.876 0.363 1.00 0.00 C ATOM 515 CG2 VAL A 35 9.006 1.004 -1.020 1.00 0.00 C ATOM 0 H VAL A 35 11.106 3.022 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 35 8.132 3.265 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 35 10.281 2.632 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.345 2.239 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.389 3.917 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.238 2.756 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.077 0.405 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.006 0.904 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.743 0.655 -1.744 1.00 0.00 H new ATOM 525 N TYR A 36 8.493 5.627 -1.452 1.00 0.00 N ATOM 526 CA TYR A 36 8.641 7.064 -1.411 1.00 0.00 C ATOM 527 C TYR A 36 7.929 7.540 -0.150 1.00 0.00 C ATOM 528 O TYR A 36 6.701 7.575 -0.115 1.00 0.00 O ATOM 529 CB TYR A 36 8.135 7.705 -2.712 1.00 0.00 C ATOM 530 CG TYR A 36 8.656 7.165 -4.039 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.259 5.889 -4.476 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.458 7.956 -4.888 1.00 0.00 C ATOM 533 CE1 TYR A 36 8.693 5.368 -5.701 1.00 0.00 C ATOM 534 CE2 TYR A 36 9.902 7.443 -6.124 1.00 0.00 C ATOM 535 CZ TYR A 36 9.524 6.143 -6.535 1.00 0.00 C ATOM 536 OH TYR A 36 9.938 5.641 -7.733 1.00 0.00 O ATOM 0 H TYR A 36 7.567 5.293 -1.187 1.00 0.00 H new ATOM 0 HA TYR A 36 9.685 7.372 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.048 7.620 -2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.371 8.768 -2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.605 5.297 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.733 8.957 -4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.392 4.376 -6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.534 8.045 -6.760 1.00 0.00 H new ATOM 0 HH TYR A 36 10.504 6.301 -8.186 1.00 0.00 H new ATOM 546 N GLY A 37 8.709 7.851 0.887 1.00 0.00 N ATOM 547 CA GLY A 37 8.242 8.197 2.220 1.00 0.00 C ATOM 548 C GLY A 37 7.956 6.928 3.027 1.00 0.00 C ATOM 549 O GLY A 37 7.707 5.867 2.460 1.00 0.00 O ATOM 0 H GLY A 37 9.726 7.868 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.993 8.800 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.339 8.804 2.151 1.00 0.00 H new ATOM 553 N ASN A 38 8.171 6.966 4.346 1.00 0.00 N ATOM 554 CA ASN A 38 7.805 5.878 5.260 1.00 0.00 C ATOM 555 C ASN A 38 6.447 6.246 5.863 1.00 0.00 C ATOM 556 O ASN A 38 6.213 7.437 6.081 1.00 0.00 O ATOM 557 CB ASN A 38 8.872 5.639 6.338 1.00 0.00 C ATOM 558 CG ASN A 38 8.862 6.679 7.451 1.00 0.00 C ATOM 559 OD1 ASN A 38 9.025 7.874 7.203 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.680 6.258 8.686 1.00 0.00 N ATOM 0 H ASN A 38 8.608 7.760 4.814 1.00 0.00 H new ATOM 0 HA ASN A 38 7.740 4.934 4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.720 4.652 6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.855 5.632 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.672 6.926 9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.547 5.264 8.871 1.00 0.00 H new ATOM 567 N ILE A 39 5.599 5.269 6.207 1.00 0.00 N ATOM 568 CA ILE A 39 4.211 5.439 6.675 1.00 0.00 C ATOM 569 C ILE A 39 3.354 6.102 5.593 1.00 0.00 C ATOM 570 O ILE A 39 2.382 5.488 5.153 1.00 0.00 O ATOM 571 CB ILE A 39 4.126 6.074 8.092 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.434 5.016 9.172 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.785 6.761 8.410 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.317 3.988 9.419 1.00 0.00 C ATOM 0 H ILE A 39 5.873 4.287 6.166 1.00 0.00 H new ATOM 0 HA ILE A 39 3.768 4.455 6.828 1.00 0.00 H new ATOM 0 HB ILE A 39 4.877 6.864 8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.341 4.482 8.887 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.648 5.529 10.110 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.818 7.174 9.418 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.609 7.564 7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.978 6.032 8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.631 3.289 10.195 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.412 4.504 9.740 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.116 3.441 8.498 1.00 0.00 H new ATOM 586 N VAL A 40 3.667 7.338 5.209 1.00 0.00 N ATOM 587 CA VAL A 40 3.068 8.069 4.118 1.00 0.00 C ATOM 588 C VAL A 40 3.852 7.599 2.898 1.00 0.00 C ATOM 589 O VAL A 40 4.941 8.104 2.621 1.00 0.00 O ATOM 590 CB VAL A 40 3.203 9.591 4.330 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.647 10.356 3.121 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.439 10.048 5.572 1.00 0.00 C ATOM 0 H VAL A 40 4.389 7.879 5.685 1.00 0.00 H new ATOM 0 HA VAL A 40 1.998 7.888 4.020 1.00 0.00 H new ATOM 0 HB VAL A 40 4.265 9.803 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.751 11.428 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.201 10.074 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.593 10.110 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.554 11.125 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.382 9.806 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.835 9.539 6.451 1.00 0.00 H new ATOM 602 N TYR A 41 3.324 6.595 2.215 1.00 0.00 N ATOM 603 CA TYR A 41 3.854 6.100 0.965 1.00 0.00 C ATOM 604 C TYR A 41 3.184 6.938 -0.115 1.00 0.00 C ATOM 605 O TYR A 41 1.963 6.915 -0.246 1.00 0.00 O ATOM 606 CB TYR A 41 3.534 4.603 0.863 1.00 0.00 C ATOM 607 CG TYR A 41 4.181 3.818 1.990 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.579 3.749 2.047 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.420 3.277 3.041 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.231 3.149 3.135 1.00 0.00 C ATOM 611 CE2 TYR A 41 4.062 2.699 4.153 1.00 0.00 C ATOM 612 CZ TYR A 41 5.474 2.636 4.206 1.00 0.00 C ATOM 613 OH TYR A 41 6.106 2.174 5.320 1.00 0.00 O ATOM 0 H TYR A 41 2.493 6.092 2.528 1.00 0.00 H new ATOM 0 HA TYR A 41 4.936 6.188 0.870 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.454 4.458 0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.883 4.220 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.165 4.164 1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.341 3.305 2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.309 3.081 3.151 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.474 2.303 4.968 1.00 0.00 H new ATOM 0 HH TYR A 41 7.026 1.924 5.094 1.00 0.00 H new ATOM 623 N ALA A 42 3.938 7.760 -0.840 1.00 0.00 N ATOM 624 CA ALA A 42 3.381 8.495 -1.966 1.00 0.00 C ATOM 625 C ALA A 42 2.972 7.535 -3.086 1.00 0.00 C ATOM 626 O ALA A 42 3.511 6.430 -3.190 1.00 0.00 O ATOM 627 CB ALA A 42 4.376 9.526 -2.466 1.00 0.00 C ATOM 0 H ALA A 42 4.929 7.932 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 42 2.486 9.020 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.946 10.068 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.608 10.227 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.290 9.025 -2.786 1.00 0.00 H new ATOM 633 N SER A 43 2.107 8.020 -3.977 1.00 0.00 N ATOM 634 CA SER A 43 1.462 7.314 -5.079 1.00 0.00 C ATOM 635 C SER A 43 2.430 6.409 -5.850 1.00 0.00 C ATOM 636 O SER A 43 2.149 5.238 -6.090 1.00 0.00 O ATOM 637 CB SER A 43 0.843 8.392 -5.984 1.00 0.00 C ATOM 638 OG SER A 43 -0.188 7.925 -6.811 1.00 0.00 O ATOM 0 H SER A 43 1.817 8.997 -3.942 1.00 0.00 H new ATOM 0 HA SER A 43 0.698 6.637 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.456 9.197 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.627 8.821 -6.607 1.00 0.00 H new ATOM 0 HG SER A 43 -0.532 8.665 -7.354 1.00 0.00 H new ATOM 644 N VAL A 44 3.585 6.938 -6.249 1.00 0.00 N ATOM 645 CA VAL A 44 4.556 6.251 -7.092 1.00 0.00 C ATOM 646 C VAL A 44 5.188 5.003 -6.427 1.00 0.00 C ATOM 647 O VAL A 44 5.806 4.188 -7.118 1.00 0.00 O ATOM 648 CB VAL A 44 5.505 7.319 -7.687 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.221 8.163 -6.622 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.497 6.754 -8.707 1.00 0.00 C ATOM 0 H VAL A 44 3.877 7.880 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 44 4.072 5.767 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 44 4.843 7.993 -8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.869 8.891 -7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.482 8.685 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.820 7.513 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.130 7.558 -9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.118 5.996 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.950 6.305 -9.536 1.00 0.00 H new ATOM 660 N SER A 45 5.029 4.815 -5.112 1.00 0.00 N ATOM 661 CA SER A 45 5.501 3.627 -4.409 1.00 0.00 C ATOM 662 C SER A 45 4.790 2.352 -4.869 1.00 0.00 C ATOM 663 O SER A 45 3.580 2.353 -5.113 1.00 0.00 O ATOM 664 CB SER A 45 5.245 3.755 -2.897 1.00 0.00 C ATOM 665 OG SER A 45 5.660 4.997 -2.360 1.00 0.00 O ATOM 0 H SER A 45 4.565 5.491 -4.505 1.00 0.00 H new ATOM 0 HA SER A 45 6.565 3.555 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.181 3.621 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.767 2.951 -2.378 1.00 0.00 H new ATOM 0 HG SER A 45 5.004 5.688 -2.590 1.00 0.00 H new ATOM 671 N SER A 46 5.549 1.259 -4.956 1.00 0.00 N ATOM 672 CA SER A 46 5.016 -0.069 -5.230 1.00 0.00 C ATOM 673 C SER A 46 4.066 -0.455 -4.096 1.00 0.00 C ATOM 674 O SER A 46 4.323 -0.112 -2.939 1.00 0.00 O ATOM 675 CB SER A 46 6.194 -1.050 -5.292 1.00 0.00 C ATOM 676 OG SER A 46 5.763 -2.397 -5.283 1.00 0.00 O ATOM 0 H SER A 46 6.562 1.275 -4.836 1.00 0.00 H new ATOM 0 HA SER A 46 4.472 -0.090 -6.174 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.776 -0.862 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.856 -0.876 -4.444 1.00 0.00 H new ATOM 0 HG SER A 46 6.542 -2.990 -5.325 1.00 0.00 H new ATOM 682 N ILE A 47 2.995 -1.193 -4.403 1.00 0.00 N ATOM 683 CA ILE A 47 2.115 -1.727 -3.369 1.00 0.00 C ATOM 684 C ILE A 47 2.918 -2.779 -2.592 1.00 0.00 C ATOM 685 O ILE A 47 2.891 -2.751 -1.363 1.00 0.00 O ATOM 686 CB ILE A 47 0.798 -2.263 -3.984 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.062 -1.057 -4.436 1.00 0.00 C ATOM 688 CG2 ILE A 47 0.005 -3.147 -3.003 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.403 -1.430 -5.080 1.00 0.00 C ATOM 0 H ILE A 47 2.720 -1.431 -5.356 1.00 0.00 H new ATOM 0 HA ILE A 47 1.794 -0.953 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 47 1.050 -2.895 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.254 -0.421 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.514 -0.464 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.908 -3.496 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.613 -4.004 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.251 -2.567 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.935 -0.522 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.224 -2.038 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.004 -1.995 -4.368 1.00 0.00 H new ATOM 701 N CYS A 48 3.659 -3.666 -3.278 1.00 0.00 N ATOM 702 CA CYS A 48 4.545 -4.623 -2.619 1.00 0.00 C ATOM 703 C CYS A 48 5.577 -3.867 -1.790 1.00 0.00 C ATOM 704 O CYS A 48 5.690 -4.110 -0.591 1.00 0.00 O ATOM 705 CB CYS A 48 5.288 -5.517 -3.617 1.00 0.00 C ATOM 706 SG CYS A 48 4.320 -6.656 -4.613 1.00 0.00 S ATOM 0 H CYS A 48 3.657 -3.735 -4.296 1.00 0.00 H new ATOM 0 HA CYS A 48 3.921 -5.260 -1.992 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.844 -4.870 -4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.022 -6.101 -3.061 1.00 0.00 H new ATOM 711 N GLY A 49 6.300 -2.941 -2.427 1.00 0.00 N ATOM 712 CA GLY A 49 7.336 -2.141 -1.799 1.00 0.00 C ATOM 713 C GLY A 49 6.830 -1.511 -0.512 1.00 0.00 C ATOM 714 O GLY A 49 7.422 -1.735 0.536 1.00 0.00 O ATOM 0 H GLY A 49 6.172 -2.728 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.204 -2.765 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.665 -1.361 -2.486 1.00 0.00 H new ATOM 718 N ALA A 50 5.735 -0.751 -0.570 1.00 0.00 N ATOM 719 CA ALA A 50 5.149 -0.111 0.597 1.00 0.00 C ATOM 720 C ALA A 50 4.759 -1.142 1.658 1.00 0.00 C ATOM 721 O ALA A 50 5.057 -0.937 2.831 1.00 0.00 O ATOM 722 CB ALA A 50 3.934 0.721 0.175 1.00 0.00 C ATOM 0 H ALA A 50 5.230 -0.564 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 50 5.894 0.549 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.498 1.199 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.246 1.485 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.193 0.072 -0.291 1.00 0.00 H new ATOM 728 N ALA A 51 4.080 -2.228 1.275 1.00 0.00 N ATOM 729 CA ALA A 51 3.568 -3.224 2.208 1.00 0.00 C ATOM 730 C ALA A 51 4.697 -3.910 2.976 1.00 0.00 C ATOM 731 O ALA A 51 4.632 -4.007 4.203 1.00 0.00 O ATOM 732 CB ALA A 51 2.694 -4.237 1.460 1.00 0.00 C ATOM 0 H ALA A 51 3.871 -2.438 0.299 1.00 0.00 H new ATOM 0 HA ALA A 51 2.951 -2.718 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.314 -4.979 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.857 -3.719 0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.288 -4.734 0.693 1.00 0.00 H new ATOM 738 N VAL A 52 5.685 -4.445 2.261 1.00 0.00 N ATOM 739 CA VAL A 52 6.876 -5.066 2.826 1.00 0.00 C ATOM 740 C VAL A 52 7.777 -4.042 3.551 1.00 0.00 C ATOM 741 O VAL A 52 8.348 -4.385 4.583 1.00 0.00 O ATOM 742 CB VAL A 52 7.589 -5.909 1.749 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.673 -6.788 2.383 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.644 -6.884 1.016 1.00 0.00 C ATOM 0 H VAL A 52 5.676 -4.457 1.241 1.00 0.00 H new ATOM 0 HA VAL A 52 6.584 -5.760 3.614 1.00 0.00 H new ATOM 0 HB VAL A 52 7.995 -5.182 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.165 -7.375 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.408 -6.156 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.218 -7.458 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.208 -7.447 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.204 -7.574 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.852 -6.321 0.522 1.00 0.00 H new ATOM 754 N HIS A 53 7.889 -2.786 3.094 1.00 0.00 N ATOM 755 CA HIS A 53 8.629 -1.721 3.799 1.00 0.00 C ATOM 756 C HIS A 53 7.983 -1.525 5.165 1.00 0.00 C ATOM 757 O HIS A 53 8.604 -1.716 6.209 1.00 0.00 O ATOM 758 CB HIS A 53 8.628 -0.417 2.979 1.00 0.00 C ATOM 759 CG HIS A 53 9.349 0.742 3.625 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.886 1.519 4.694 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.584 1.182 3.254 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.895 2.366 4.970 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.916 2.205 4.110 1.00 0.00 N ATOM 0 H HIS A 53 7.467 -2.475 2.219 1.00 0.00 H new ATOM 0 HA HIS A 53 9.673 -2.007 3.927 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.085 -0.615 2.009 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.595 -0.124 2.791 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.186 0.800 2.443 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.886 3.083 5.778 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.781 2.745 4.095 1.00 0.00 H new ATOM 771 N ARG A 54 6.681 -1.236 5.166 1.00 0.00 N ATOM 772 CA ARG A 54 5.852 -1.143 6.360 1.00 0.00 C ATOM 773 C ARG A 54 5.920 -2.458 7.158 1.00 0.00 C ATOM 774 O ARG A 54 5.664 -2.451 8.362 1.00 0.00 O ATOM 775 CB ARG A 54 4.441 -0.784 5.884 1.00 0.00 C ATOM 776 CG ARG A 54 3.414 -0.545 6.982 1.00 0.00 C ATOM 777 CD ARG A 54 3.445 0.781 7.743 1.00 0.00 C ATOM 778 NE ARG A 54 2.137 0.946 8.402 1.00 0.00 N ATOM 779 CZ ARG A 54 1.611 0.066 9.262 1.00 0.00 C ATOM 780 NH1 ARG A 54 2.391 -0.684 10.033 1.00 0.00 N ATOM 781 NH2 ARG A 54 0.297 -0.080 9.294 1.00 0.00 N ATOM 0 H ARG A 54 6.162 -1.055 4.307 1.00 0.00 H new ATOM 0 HA ARG A 54 6.199 -0.373 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.503 0.113 5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.079 -1.587 5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.424 -0.647 6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.519 -1.347 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.248 0.781 8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.638 1.609 7.061 1.00 0.00 H new ATOM 0 HE ARG A 54 1.598 1.785 8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.405 -0.593 9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.976 -1.350 10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.293 0.472 8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.127 -0.745 9.941 1.00 0.00 H new ATOM 795 N GLY A 55 6.250 -3.576 6.508 1.00 0.00 N ATOM 796 CA GLY A 55 6.492 -4.882 7.098 1.00 0.00 C ATOM 797 C GLY A 55 5.224 -5.537 7.601 1.00 0.00 C ATOM 798 O GLY A 55 5.281 -6.270 8.589 1.00 0.00 O ATOM 0 H GLY A 55 6.361 -3.588 5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.962 -5.530 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.196 -4.779 7.924 1.00 0.00 H new ATOM 802 N VAL A 56 4.069 -5.255 6.989 1.00 0.00 N ATOM 803 CA VAL A 56 2.833 -5.779 7.559 1.00 0.00 C ATOM 804 C VAL A 56 2.655 -7.211 7.003 1.00 0.00 C ATOM 805 O VAL A 56 2.169 -8.079 7.732 1.00 0.00 O ATOM 806 CB VAL A 56 1.625 -4.862 7.275 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.531 -5.133 8.313 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.933 -3.372 7.310 1.00 0.00 C ATOM 0 H VAL A 56 3.967 -4.696 6.142 1.00 0.00 H new ATOM 0 HA VAL A 56 2.892 -5.811 8.647 1.00 0.00 H new ATOM 0 HB VAL A 56 1.313 -5.101 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.325 -4.487 8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.221 -6.176 8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.918 -4.929 9.311 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.025 -2.808 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.308 -3.101 8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.688 -3.139 6.559 1.00 0.00 H new ATOM 818 N ILE A 57 3.072 -7.473 5.751 1.00 0.00 N ATOM 819 CA ILE A 57 3.102 -8.796 5.117 1.00 0.00 C ATOM 820 C ILE A 57 4.551 -9.260 4.979 1.00 0.00 C ATOM 821 O ILE A 57 5.478 -8.441 5.033 1.00 0.00 O ATOM 822 CB ILE A 57 2.403 -8.826 3.728 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.052 -7.909 2.661 1.00 0.00 C ATOM 824 CG2 ILE A 57 0.911 -8.517 3.894 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.634 -8.218 1.209 1.00 0.00 C ATOM 0 H ILE A 57 3.410 -6.737 5.132 1.00 0.00 H new ATOM 0 HA ILE A 57 2.542 -9.473 5.762 1.00 0.00 H new ATOM 0 HB ILE A 57 2.534 -9.836 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.796 -6.874 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.136 -7.994 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.424 -8.539 2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.455 -9.264 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.791 -7.528 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.136 -7.528 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.915 -9.241 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.555 -8.104 1.109 1.00 0.00 H new ATOM 837 N SER A 58 4.740 -10.561 4.759 1.00 0.00 N ATOM 838 CA SER A 58 6.045 -11.129 4.467 1.00 0.00 C ATOM 839 C SER A 58 6.402 -10.733 3.028 1.00 0.00 C ATOM 840 O SER A 58 5.494 -10.377 2.265 1.00 0.00 O ATOM 841 CB SER A 58 5.962 -12.664 4.506 1.00 0.00 C ATOM 842 OG SER A 58 5.141 -13.156 5.550 1.00 0.00 O ATOM 0 H SER A 58 3.986 -11.248 4.780 1.00 0.00 H new ATOM 0 HA SER A 58 6.778 -10.773 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.578 -13.024 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.966 -13.072 4.620 1.00 0.00 H new ATOM 0 HG SER A 58 5.127 -14.135 5.521 1.00 0.00 H new ATOM 848 N ASN A 59 7.669 -10.835 2.596 1.00 0.00 N ATOM 849 CA ASN A 59 7.940 -10.593 1.176 1.00 0.00 C ATOM 850 C ASN A 59 7.598 -11.916 0.482 1.00 0.00 C ATOM 851 O ASN A 59 8.476 -12.689 0.094 1.00 0.00 O ATOM 852 CB ASN A 59 9.412 -10.205 0.946 1.00 0.00 C ATOM 853 CG ASN A 59 9.578 -9.653 -0.464 1.00 0.00 C ATOM 854 OD1 ASN A 59 9.755 -8.457 -0.635 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.447 -10.477 -1.486 1.00 0.00 N ATOM 0 H ASN A 59 8.477 -11.069 3.172 1.00 0.00 H new ATOM 0 HA ASN A 59 7.353 -9.762 0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.721 -9.459 1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.054 -11.075 1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.493 -10.118 -2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.300 -11.473 -1.322 1.00 0.00 H new ATOM 862 N SER A 60 6.304 -12.219 0.386 1.00 0.00 N ATOM 863 CA SER A 60 5.809 -13.481 -0.130 1.00 0.00 C ATOM 864 C SER A 60 4.475 -13.340 -0.872 1.00 0.00 C ATOM 865 O SER A 60 4.045 -14.314 -1.490 1.00 0.00 O ATOM 866 CB SER A 60 5.773 -14.498 1.019 1.00 0.00 C ATOM 867 OG SER A 60 5.786 -15.819 0.518 1.00 0.00 O ATOM 0 H SER A 60 5.563 -11.579 0.671 1.00 0.00 H new ATOM 0 HA SER A 60 6.491 -13.851 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.630 -14.344 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.879 -14.341 1.622 1.00 0.00 H new ATOM 0 HG SER A 60 5.262 -15.860 -0.309 1.00 0.00 H new ATOM 873 N GLY A 61 3.780 -12.203 -0.742 1.00 0.00 N ATOM 874 CA GLY A 61 2.442 -11.999 -1.285 1.00 0.00 C ATOM 875 C GLY A 61 1.423 -12.000 -0.145 1.00 0.00 C ATOM 876 O GLY A 61 1.806 -11.992 1.028 1.00 0.00 O ATOM 0 H GLY A 61 4.143 -11.388 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.398 -11.054 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.204 -12.787 -2.000 1.00 0.00 H new ATOM 880 N GLY A 62 0.135 -11.955 -0.486 1.00 0.00 N ATOM 881 CA GLY A 62 -0.981 -12.038 0.452 1.00 0.00 C ATOM 882 C GLY A 62 -1.971 -10.881 0.290 1.00 0.00 C ATOM 883 O GLY A 62 -1.775 -10.017 -0.572 1.00 0.00 O ATOM 0 H GLY A 62 -0.168 -11.857 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.504 -12.983 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.595 -12.042 1.471 1.00 0.00 H new ATOM 887 N PRO A 63 -3.069 -10.876 1.068 1.00 0.00 N ATOM 888 CA PRO A 63 -4.013 -9.767 1.098 1.00 0.00 C ATOM 889 C PRO A 63 -3.376 -8.586 1.835 1.00 0.00 C ATOM 890 O PRO A 63 -2.609 -8.803 2.778 1.00 0.00 O ATOM 891 CB PRO A 63 -5.246 -10.299 1.837 1.00 0.00 C ATOM 892 CG PRO A 63 -4.684 -11.386 2.754 1.00 0.00 C ATOM 893 CD PRO A 63 -3.470 -11.925 1.995 1.00 0.00 C ATOM 0 HA PRO A 63 -4.287 -9.412 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.741 -9.512 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.984 -10.703 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.399 -10.980 3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.418 -12.170 2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.659 -12.168 2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.721 -12.841 1.461 1.00 0.00 H new ATOM 901 N VAL A 64 -3.704 -7.352 1.443 1.00 0.00 N ATOM 902 CA VAL A 64 -3.202 -6.127 2.050 1.00 0.00 C ATOM 903 C VAL A 64 -4.330 -5.082 2.037 1.00 0.00 C ATOM 904 O VAL A 64 -5.208 -5.143 1.178 1.00 0.00 O ATOM 905 CB VAL A 64 -1.938 -5.618 1.308 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.117 -4.695 2.206 1.00 0.00 C ATOM 907 CG2 VAL A 64 -1.003 -6.697 0.737 1.00 0.00 C ATOM 0 H VAL A 64 -4.346 -7.178 0.670 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.901 -6.317 3.080 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.348 -5.091 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.236 -4.350 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.723 -3.837 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.805 -5.238 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.157 -6.220 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.640 -7.330 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.548 -7.307 0.016 1.00 0.00 H new ATOM 917 N ARG A 65 -4.297 -4.073 2.916 1.00 0.00 N ATOM 918 CA ARG A 65 -5.255 -2.967 2.940 1.00 0.00 C ATOM 919 C ARG A 65 -4.570 -1.621 2.794 1.00 0.00 C ATOM 920 O ARG A 65 -3.850 -1.184 3.691 1.00 0.00 O ATOM 921 CB ARG A 65 -6.113 -3.025 4.209 1.00 0.00 C ATOM 922 CG ARG A 65 -7.100 -1.845 4.261 1.00 0.00 C ATOM 923 CD ARG A 65 -8.117 -2.043 5.379 1.00 0.00 C ATOM 924 NE ARG A 65 -9.158 -2.975 4.953 1.00 0.00 N ATOM 925 CZ ARG A 65 -9.921 -3.766 5.701 1.00 0.00 C ATOM 926 NH1 ARG A 65 -9.805 -3.801 7.022 1.00 0.00 N ATOM 927 NH2 ARG A 65 -10.807 -4.515 5.068 1.00 0.00 N ATOM 0 H ARG A 65 -3.587 -4.004 3.645 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.913 -3.080 2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.663 -3.966 4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.470 -3.005 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.554 -0.915 4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.616 -1.753 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.619 -2.425 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.563 -1.086 5.649 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.321 -3.026 3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.117 -3.211 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.404 -4.418 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.881 -4.469 4.052 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.417 -5.139 5.596 1.00 0.00 H new ATOM 941 N VAL A 66 -4.789 -0.965 1.666 1.00 0.00 N ATOM 942 CA VAL A 66 -4.332 0.391 1.404 1.00 0.00 C ATOM 943 C VAL A 66 -5.410 1.359 1.928 1.00 0.00 C ATOM 944 O VAL A 66 -6.608 1.081 1.822 1.00 0.00 O ATOM 945 CB VAL A 66 -4.099 0.538 -0.119 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.708 1.964 -0.528 1.00 0.00 C ATOM 947 CG2 VAL A 66 -2.996 -0.424 -0.601 1.00 0.00 C ATOM 0 H VAL A 66 -5.304 -1.372 0.885 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.393 0.618 1.909 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.052 0.294 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.558 2.005 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.503 2.654 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.785 2.247 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.850 -0.302 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.065 -0.200 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.291 -1.452 -0.389 1.00 0.00 H new ATOM 957 N TYR A 67 -4.986 2.502 2.467 1.00 0.00 N ATOM 958 CA TYR A 67 -5.791 3.637 2.913 1.00 0.00 C ATOM 959 C TYR A 67 -5.112 4.884 2.365 1.00 0.00 C ATOM 960 O TYR A 67 -3.964 5.141 2.732 1.00 0.00 O ATOM 961 CB TYR A 67 -5.852 3.746 4.444 1.00 0.00 C ATOM 962 CG TYR A 67 -6.850 2.859 5.155 1.00 0.00 C ATOM 963 CD1 TYR A 67 -8.205 3.234 5.146 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.434 1.754 5.919 1.00 0.00 C ATOM 965 CE1 TYR A 67 -9.154 2.486 5.856 1.00 0.00 C ATOM 966 CE2 TYR A 67 -7.374 1.020 6.669 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.742 1.378 6.627 1.00 0.00 C ATOM 968 OH TYR A 67 -9.691 0.636 7.261 1.00 0.00 O ATOM 0 H TYR A 67 -3.991 2.671 2.614 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.815 3.516 2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.860 3.525 4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.075 4.781 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.517 4.105 4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.393 1.468 5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.199 2.757 5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.051 0.186 7.275 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.261 -0.094 7.753 1.00 0.00 H new ATOM 978 N SER A 68 -5.776 5.653 1.502 1.00 0.00 N ATOM 979 CA SER A 68 -5.224 6.913 1.026 1.00 0.00 C ATOM 980 C SER A 68 -5.050 7.900 2.187 1.00 0.00 C ATOM 981 O SER A 68 -5.594 7.713 3.285 1.00 0.00 O ATOM 982 CB SER A 68 -6.090 7.481 -0.094 1.00 0.00 C ATOM 983 OG SER A 68 -7.346 7.873 0.408 1.00 0.00 O ATOM 0 H SER A 68 -6.694 5.423 1.121 1.00 0.00 H new ATOM 0 HA SER A 68 -4.233 6.734 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.591 8.336 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.221 6.733 -0.876 1.00 0.00 H new ATOM 0 HG SER A 68 -7.762 8.509 -0.211 1.00 0.00 H new ATOM 989 N LEU A 69 -4.278 8.954 1.955 1.00 0.00 N ATOM 990 CA LEU A 69 -3.861 9.951 2.929 1.00 0.00 C ATOM 991 C LEU A 69 -4.004 11.331 2.270 1.00 0.00 C ATOM 992 O LEU A 69 -3.831 11.405 1.050 1.00 0.00 O ATOM 993 CB LEU A 69 -2.411 9.562 3.270 1.00 0.00 C ATOM 994 CG LEU A 69 -1.852 10.090 4.598 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.044 8.968 5.255 1.00 0.00 C ATOM 996 CD2 LEU A 69 -0.999 11.355 4.396 1.00 0.00 C ATOM 0 H LEU A 69 -3.905 9.146 1.025 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.449 9.992 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.344 8.474 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.766 9.914 2.465 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.676 10.383 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.636 9.320 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.692 8.111 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.228 8.673 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.622 11.697 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.160 11.127 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.610 12.138 3.947 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.301 12.423 3.001 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.449 13.750 2.404 1.00 0.00 C ATOM 1010 C PRO A 70 -3.130 14.279 1.819 1.00 0.00 C ATOM 1011 O PRO A 70 -2.070 13.660 1.953 1.00 0.00 O ATOM 1012 CB PRO A 70 -5.017 14.647 3.511 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.580 13.956 4.799 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.625 12.478 4.418 1.00 0.00 C ATOM 0 HA PRO A 70 -5.123 13.725 1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.622 15.661 3.447 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.102 14.724 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.581 14.265 5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.251 14.181 5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.910 11.901 5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.611 12.055 4.610 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.195 15.416 1.120 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.023 16.078 0.563 1.00 0.00 C ATOM 1024 C GLY A 71 -1.012 16.357 1.670 1.00 0.00 C ATOM 1025 O GLY A 71 -1.374 16.862 2.733 1.00 0.00 O ATOM 0 H GLY A 71 -4.071 15.902 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.571 15.451 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.316 17.011 0.082 1.00 0.00 H new ATOM 1029 N ARG A 72 0.254 16.027 1.430 1.00 0.00 N ATOM 1030 CA ARG A 72 1.375 16.254 2.329 1.00 0.00 C ATOM 1031 C ARG A 72 2.601 16.594 1.492 1.00 0.00 C ATOM 1032 O ARG A 72 2.623 16.349 0.287 1.00 0.00 O ATOM 1033 CB ARG A 72 1.630 14.996 3.187 1.00 0.00 C ATOM 1034 CG ARG A 72 0.725 14.830 4.418 1.00 0.00 C ATOM 1035 CD ARG A 72 1.401 13.798 5.339 1.00 0.00 C ATOM 1036 NE ARG A 72 0.823 13.728 6.690 1.00 0.00 N ATOM 1037 CZ ARG A 72 1.204 14.449 7.751 1.00 0.00 C ATOM 1038 NH1 ARG A 72 1.956 15.534 7.605 1.00 0.00 N ATOM 1039 NH2 ARG A 72 0.837 14.057 8.960 1.00 0.00 N ATOM 0 H ARG A 72 0.536 15.573 0.562 1.00 0.00 H new ATOM 0 HA ARG A 72 1.154 17.080 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.513 14.117 2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.667 15.012 3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.597 15.782 4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.268 14.491 4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.333 12.814 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.461 14.040 5.421 1.00 0.00 H new ATOM 0 HE ARG A 72 0.059 13.067 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.251 15.828 6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.238 16.073 8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.272 13.216 9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.120 14.596 9.779 1.00 0.00 H new ATOM 1053 N GLU A 73 3.629 17.125 2.141 1.00 0.00 N ATOM 1054 CA GLU A 73 4.952 17.429 1.615 1.00 0.00 C ATOM 1055 C GLU A 73 5.964 17.032 2.692 1.00 0.00 C ATOM 1056 O GLU A 73 5.611 16.289 3.610 1.00 0.00 O ATOM 1057 CB GLU A 73 5.070 18.908 1.196 1.00 0.00 C ATOM 1058 CG GLU A 73 4.918 19.925 2.340 1.00 0.00 C ATOM 1059 CD GLU A 73 3.463 20.069 2.775 1.00 0.00 C ATOM 1060 OE1 GLU A 73 2.654 20.536 1.944 1.00 0.00 O ATOM 1061 OE2 GLU A 73 3.127 19.704 3.924 1.00 0.00 O ATOM 0 H GLU A 73 3.552 17.374 3.127 1.00 0.00 H new ATOM 0 HA GLU A 73 5.148 16.865 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.040 19.059 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.312 19.117 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.523 19.610 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.300 20.894 2.019 1.00 0.00 H new ATOM 1068 N ASN A 74 7.211 17.501 2.567 1.00 0.00 N ATOM 1069 CA ASN A 74 8.288 17.351 3.544 1.00 0.00 C ATOM 1070 C ASN A 74 8.370 15.915 4.073 1.00 0.00 C ATOM 1071 O ASN A 74 8.322 15.652 5.272 1.00 0.00 O ATOM 1072 CB ASN A 74 8.161 18.426 4.641 1.00 0.00 C ATOM 1073 CG ASN A 74 8.640 19.801 4.179 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.423 20.226 3.041 1.00 0.00 O ATOM 1075 ND2 ASN A 74 9.311 20.541 5.042 1.00 0.00 N ATOM 0 H ASN A 74 7.508 18.020 1.741 1.00 0.00 H new ATOM 0 HA ASN A 74 9.248 17.523 3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.120 18.496 4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.738 18.119 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.650 21.463 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.491 20.190 5.983 1.00 0.00 H new ATOM 1082 N TYR A 75 8.477 14.969 3.140 1.00 0.00 N ATOM 1083 CA TYR A 75 8.616 13.542 3.415 1.00 0.00 C ATOM 1084 C TYR A 75 10.041 13.258 3.920 1.00 0.00 C ATOM 1085 O TYR A 75 10.866 14.169 4.025 1.00 0.00 O ATOM 1086 CB TYR A 75 8.327 12.750 2.129 1.00 0.00 C ATOM 1087 CG TYR A 75 6.963 12.942 1.493 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.705 14.089 0.716 1.00 0.00 C ATOM 1089 CD2 TYR A 75 5.992 11.923 1.573 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.486 14.225 0.035 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.779 12.052 0.876 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.516 13.207 0.116 1.00 0.00 C ATOM 1093 OH TYR A 75 3.359 13.339 -0.575 1.00 0.00 O ATOM 0 H TYR A 75 8.469 15.183 2.143 1.00 0.00 H new ATOM 0 HA TYR A 75 7.906 13.235 4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.085 13.014 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.452 11.690 2.349 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.450 14.868 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.181 11.043 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.291 15.111 -0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.045 11.261 0.924 1.00 0.00 H new ATOM 0 HH TYR A 75 2.793 12.555 -0.418 1.00 0.00 H new ATOM 1103 N SER A 76 10.372 11.993 4.168 1.00 0.00 N ATOM 1104 CA SER A 76 11.678 11.548 4.632 1.00 0.00 C ATOM 1105 C SER A 76 12.069 10.307 3.835 1.00 0.00 C ATOM 1106 O SER A 76 11.219 9.715 3.162 1.00 0.00 O ATOM 1107 CB SER A 76 11.610 11.241 6.133 1.00 0.00 C ATOM 1108 OG SER A 76 11.092 12.345 6.855 1.00 0.00 O ATOM 0 H SER A 76 9.713 11.224 4.046 1.00 0.00 H new ATOM 0 HA SER A 76 12.429 12.324 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.982 10.366 6.301 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.605 10.995 6.503 1.00 0.00 H new ATOM 0 HG SER A 76 11.057 12.124 7.809 1.00 0.00 H new ATOM 1114 N SER A 77 13.330 9.908 3.934 1.00 0.00 N ATOM 1115 CA SER A 77 13.868 8.718 3.306 1.00 0.00 C ATOM 1116 C SER A 77 14.288 7.763 4.426 1.00 0.00 C ATOM 1117 O SER A 77 15.090 8.156 5.278 1.00 0.00 O ATOM 1118 CB SER A 77 15.073 9.138 2.447 1.00 0.00 C ATOM 1119 OG SER A 77 14.764 10.201 1.551 1.00 0.00 O ATOM 0 H SER A 77 14.026 10.424 4.472 1.00 0.00 H new ATOM 0 HA SER A 77 13.141 8.220 2.664 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.890 9.444 3.100 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.425 8.278 1.877 1.00 0.00 H new ATOM 0 HG SER A 77 15.561 10.432 1.030 1.00 0.00 H new ATOM 1125 N VAL A 78 13.775 6.532 4.456 1.00 0.00 N ATOM 1126 CA VAL A 78 14.020 5.570 5.534 1.00 0.00 C ATOM 1127 C VAL A 78 14.089 4.178 4.905 1.00 0.00 C ATOM 1128 O VAL A 78 13.324 3.891 3.984 1.00 0.00 O ATOM 1129 CB VAL A 78 12.885 5.645 6.590 1.00 0.00 C ATOM 1130 CG1 VAL A 78 13.234 4.860 7.863 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.505 7.078 7.011 1.00 0.00 C ATOM 0 H VAL A 78 13.168 6.169 3.721 1.00 0.00 H new ATOM 0 HA VAL A 78 14.956 5.795 6.046 1.00 0.00 H new ATOM 0 HB VAL A 78 12.029 5.200 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.413 4.939 8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.397 3.812 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.140 5.271 8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.705 7.040 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.375 7.573 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.166 7.636 6.138 1.00 0.00 H new ATOM 1141 N ASP A 79 14.915 3.280 5.435 1.00 0.00 N ATOM 1142 CA ASP A 79 14.969 1.901 4.960 1.00 0.00 C ATOM 1143 C ASP A 79 14.231 1.045 5.970 1.00 0.00 C ATOM 1144 O ASP A 79 14.311 1.283 7.180 1.00 0.00 O ATOM 1145 CB ASP A 79 16.409 1.382 4.843 1.00 0.00 C ATOM 1146 CG ASP A 79 16.424 -0.120 4.519 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.351 -0.942 5.468 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.484 -0.474 3.326 1.00 0.00 O ATOM 0 H ASP A 79 15.560 3.485 6.198 1.00 0.00 H new ATOM 0 HA ASP A 79 14.520 1.855 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.936 1.932 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.942 1.562 5.776 1.00 0.00 H new ATOM 1153 N ALA A 80 13.466 0.083 5.475 1.00 0.00 N ATOM 1154 CA ALA A 80 12.808 -0.904 6.293 1.00 0.00 C ATOM 1155 C ALA A 80 12.874 -2.206 5.517 1.00 0.00 C ATOM 1156 O ALA A 80 12.541 -2.242 4.333 1.00 0.00 O ATOM 1157 CB ALA A 80 11.374 -0.480 6.579 1.00 0.00 C ATOM 0 H ALA A 80 13.287 -0.028 4.477 1.00 0.00 H new ATOM 0 HA ALA A 80 13.289 -1.019 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.888 -1.234 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.375 0.475 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.831 -0.377 5.640 1.00 0.00 H new ATOM 1163 N ASN A 81 13.253 -3.286 6.198 1.00 0.00 N ATOM 1164 CA ASN A 81 13.380 -4.623 5.627 1.00 0.00 C ATOM 1165 C ASN A 81 14.267 -4.677 4.371 1.00 0.00 C ATOM 1166 O ASN A 81 14.114 -5.604 3.569 1.00 0.00 O ATOM 1167 CB ASN A 81 11.983 -5.230 5.398 1.00 0.00 C ATOM 1168 CG ASN A 81 11.230 -5.431 6.702 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.758 -6.018 7.644 1.00 0.00 O ATOM 1170 ND2 ASN A 81 10.007 -4.959 6.817 1.00 0.00 N ATOM 0 H ASN A 81 13.487 -3.253 7.190 1.00 0.00 H new ATOM 0 HA ASN A 81 13.909 -5.240 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.406 -4.576 4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.083 -6.187 4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.494 -5.080 7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.572 -4.472 6.033 1.00 0.00 H new ATOM 1177 N GLY A 82 15.200 -3.733 4.186 1.00 0.00 N ATOM 1178 CA GLY A 82 16.102 -3.687 3.037 1.00 0.00 C ATOM 1179 C GLY A 82 15.500 -2.980 1.816 1.00 0.00 C ATOM 1180 O GLY A 82 16.096 -3.003 0.740 1.00 0.00 O ATOM 0 H GLY A 82 15.348 -2.968 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.021 -3.177 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.376 -4.705 2.759 1.00 0.00 H new ATOM 1184 N ILE A 83 14.324 -2.376 1.962 1.00 0.00 N ATOM 1185 CA ILE A 83 13.607 -1.610 0.954 1.00 0.00 C ATOM 1186 C ILE A 83 13.802 -0.157 1.394 1.00 0.00 C ATOM 1187 O ILE A 83 13.510 0.176 2.547 1.00 0.00 O ATOM 1188 CB ILE A 83 12.121 -2.024 0.995 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.950 -3.546 0.791 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.352 -1.249 -0.085 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.595 -4.062 1.273 1.00 0.00 C ATOM 0 H ILE A 83 13.816 -2.413 2.846 1.00 0.00 H new ATOM 0 HA ILE A 83 13.955 -1.767 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 83 11.720 -1.782 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.067 -3.781 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.743 -4.070 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.301 -1.537 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.439 -0.179 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.769 -1.480 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.534 -5.137 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.485 -3.856 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.798 -3.562 0.722 1.00 0.00 H new ATOM 1203 N GLN A 84 14.231 0.726 0.496 1.00 0.00 N ATOM 1204 CA GLN A 84 14.552 2.107 0.826 1.00 0.00 C ATOM 1205 C GLN A 84 13.406 2.988 0.335 1.00 0.00 C ATOM 1206 O GLN A 84 12.932 2.846 -0.795 1.00 0.00 O ATOM 1207 CB GLN A 84 15.904 2.472 0.183 1.00 0.00 C ATOM 1208 CG GLN A 84 16.364 3.930 0.370 1.00 0.00 C ATOM 1209 CD GLN A 84 16.677 4.311 1.819 1.00 0.00 C ATOM 1210 OE1 GLN A 84 17.641 3.861 2.423 1.00 0.00 O ATOM 1211 NE2 GLN A 84 15.906 5.194 2.428 1.00 0.00 N ATOM 0 H GLN A 84 14.366 0.499 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 84 14.656 2.257 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.670 1.814 0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.845 2.264 -0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.253 4.099 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.588 4.595 -0.009 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.097 5.583 1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.120 5.486 3.381 1.00 0.00 H new ATOM 1220 N SER A 85 12.966 3.918 1.183 1.00 0.00 N ATOM 1221 CA SER A 85 11.976 4.922 0.838 1.00 0.00 C ATOM 1222 C SER A 85 12.692 6.253 0.624 1.00 0.00 C ATOM 1223 O SER A 85 13.721 6.495 1.258 1.00 0.00 O ATOM 1224 CB SER A 85 10.825 4.983 1.846 1.00 0.00 C ATOM 1225 OG SER A 85 11.149 5.631 3.061 1.00 0.00 O ATOM 0 H SER A 85 13.298 3.991 2.145 1.00 0.00 H new ATOM 0 HA SER A 85 11.483 4.650 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.982 5.499 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.496 3.967 2.066 1.00 0.00 H new ATOM 0 HG SER A 85 10.366 5.632 3.650 1.00 0.00 H new ATOM 1231 N GLN A 86 12.205 7.092 -0.289 1.00 0.00 N ATOM 1232 CA GLN A 86 12.799 8.389 -0.616 1.00 0.00 C ATOM 1233 C GLN A 86 11.783 9.520 -0.412 1.00 0.00 C ATOM 1234 O GLN A 86 10.596 9.331 -0.669 1.00 0.00 O ATOM 1235 CB GLN A 86 13.349 8.327 -2.052 1.00 0.00 C ATOM 1236 CG GLN A 86 12.259 8.185 -3.130 1.00 0.00 C ATOM 1237 CD GLN A 86 12.694 7.295 -4.290 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.288 7.772 -5.252 1.00 0.00 O ATOM 1239 NE2 GLN A 86 12.386 6.010 -4.224 1.00 0.00 N ATOM 0 H GLN A 86 11.368 6.885 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 86 13.628 8.610 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.926 9.230 -2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.037 7.485 -2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.358 7.771 -2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.000 9.173 -3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.892 5.645 -3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.643 5.384 -4.987 1.00 0.00 H new ATOM 1248 N MET A 87 12.214 10.690 0.060 1.00 0.00 N ATOM 1249 CA MET A 87 11.340 11.858 0.162 1.00 0.00 C ATOM 1250 C MET A 87 10.854 12.317 -1.230 1.00 0.00 C ATOM 1251 O MET A 87 11.423 11.921 -2.252 1.00 0.00 O ATOM 1252 CB MET A 87 12.046 12.967 0.967 1.00 0.00 C ATOM 1253 CG MET A 87 13.182 13.675 0.220 1.00 0.00 C ATOM 1254 SD MET A 87 12.634 15.068 -0.810 1.00 0.00 S ATOM 1255 CE MET A 87 13.640 14.777 -2.289 1.00 0.00 C ATOM 0 H MET A 87 13.169 10.854 0.379 1.00 0.00 H new ATOM 0 HA MET A 87 10.436 11.592 0.710 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.305 13.710 1.263 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.447 12.533 1.883 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.910 14.038 0.946 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.695 12.950 -0.411 1.00 0.00 H new ATOM 0 HE1 MET A 87 13.428 15.547 -3.031 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.696 14.811 -2.023 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.402 13.798 -2.704 1.00 0.00 H new ATOM 1265 N LEU A 88 9.817 13.168 -1.281 1.00 0.00 N ATOM 1266 CA LEU A 88 9.208 13.662 -2.519 1.00 0.00 C ATOM 1267 C LEU A 88 8.825 15.134 -2.415 1.00 0.00 C ATOM 1268 O LEU A 88 8.828 15.722 -1.329 1.00 0.00 O ATOM 1269 CB LEU A 88 7.917 12.934 -2.900 1.00 0.00 C ATOM 1270 CG LEU A 88 7.896 11.407 -2.779 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.346 11.006 -1.407 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.010 10.887 -3.910 1.00 0.00 C ATOM 0 H LEU A 88 9.371 13.538 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 88 9.978 13.489 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.113 13.330 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.679 13.192 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 88 8.896 10.981 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.332 9.919 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.981 11.422 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.333 11.391 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.964 9.799 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.006 11.297 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.427 11.193 -4.869 1.00 0.00 H new ATOM 1284 N SER A 89 8.360 15.685 -3.533 1.00 0.00 N ATOM 1285 CA SER A 89 7.869 17.034 -3.708 1.00 0.00 C ATOM 1286 C SER A 89 6.331 17.128 -3.677 1.00 0.00 C ATOM 1287 O SER A 89 5.668 17.141 -4.717 1.00 0.00 O ATOM 1288 CB SER A 89 8.471 17.580 -5.012 1.00 0.00 C ATOM 1289 OG SER A 89 8.481 16.591 -6.033 1.00 0.00 O ATOM 0 H SER A 89 8.317 15.153 -4.402 1.00 0.00 H new ATOM 0 HA SER A 89 8.186 17.649 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.896 18.444 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.488 17.926 -4.828 1.00 0.00 H new ATOM 0 HG SER A 89 8.868 16.969 -6.850 1.00 0.00 H new ATOM 1295 N ARG A 90 5.751 17.167 -2.469 1.00 0.00 N ATOM 1296 CA ARG A 90 4.310 17.404 -2.263 1.00 0.00 C ATOM 1297 C ARG A 90 3.380 16.507 -3.087 1.00 0.00 C ATOM 1298 O ARG A 90 2.704 16.997 -3.992 1.00 0.00 O ATOM 1299 CB ARG A 90 3.964 18.904 -2.385 1.00 0.00 C ATOM 1300 CG ARG A 90 2.521 19.234 -1.917 1.00 0.00 C ATOM 1301 CD ARG A 90 1.752 20.150 -2.881 1.00 0.00 C ATOM 1302 NE ARG A 90 1.707 19.577 -4.236 1.00 0.00 N ATOM 1303 CZ ARG A 90 1.022 20.018 -5.288 1.00 0.00 C ATOM 1304 NH1 ARG A 90 0.076 20.933 -5.141 1.00 0.00 N ATOM 1305 NH2 ARG A 90 1.296 19.531 -6.492 1.00 0.00 N ATOM 0 H ARG A 90 6.269 17.035 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 90 4.112 17.098 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.673 19.484 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.084 19.216 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.967 18.303 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.566 19.709 -0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.737 20.300 -2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.228 21.130 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 90 2.270 18.740 -4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.133 21.306 -4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.443 21.265 -5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.025 18.826 -6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.778 19.861 -7.306 1.00 0.00 H new ATOM 1319 N TRP A 91 3.401 15.195 -2.891 1.00 0.00 N ATOM 1320 CA TRP A 91 2.624 14.310 -3.742 1.00 0.00 C ATOM 1321 C TRP A 91 1.190 14.269 -3.209 1.00 0.00 C ATOM 1322 O TRP A 91 0.899 13.659 -2.177 1.00 0.00 O ATOM 1323 CB TRP A 91 3.265 12.916 -3.767 1.00 0.00 C ATOM 1324 CG TRP A 91 3.475 12.381 -5.141 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.598 11.629 -5.839 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.631 12.568 -6.005 1.00 0.00 C ATOM 1327 NE1 TRP A 91 3.156 11.304 -7.061 1.00 0.00 N ATOM 1328 CE2 TRP A 91 4.438 11.801 -7.188 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.829 13.303 -5.894 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 5.428 11.704 -8.177 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.847 13.184 -6.857 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.650 12.376 -7.991 1.00 0.00 C ATOM 0 H TRP A 91 3.939 14.728 -2.161 1.00 0.00 H new ATOM 0 HA TRP A 91 2.607 14.675 -4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.225 12.957 -3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.633 12.225 -3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.618 11.330 -5.498 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.679 10.763 -7.782 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.967 13.969 -5.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 5.254 11.121 -9.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.779 13.713 -6.726 1.00 0.00 H new ATOM 0 HH2 TRP A 91 7.439 12.271 -8.721 1.00 0.00 H new ATOM 1343 N SER A 92 0.267 14.898 -3.941 1.00 0.00 N ATOM 1344 CA SER A 92 -1.148 15.020 -3.578 1.00 0.00 C ATOM 1345 C SER A 92 -1.920 13.721 -3.876 1.00 0.00 C ATOM 1346 O SER A 92 -3.096 13.733 -4.247 1.00 0.00 O ATOM 1347 CB SER A 92 -1.746 16.182 -4.383 1.00 0.00 C ATOM 1348 OG SER A 92 -0.850 17.281 -4.480 1.00 0.00 O ATOM 0 H SER A 92 0.489 15.350 -4.828 1.00 0.00 H new ATOM 0 HA SER A 92 -1.231 15.208 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.003 15.835 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.672 16.510 -3.912 1.00 0.00 H new ATOM 0 HG SER A 92 -1.267 17.998 -5.001 1.00 0.00 H new ATOM 1354 N ALA A 93 -1.235 12.594 -3.726 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.686 11.231 -3.805 1.00 0.00 C ATOM 1356 C ALA A 93 -0.660 10.502 -2.949 1.00 0.00 C ATOM 1357 O ALA A 93 0.498 10.351 -3.349 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.701 10.749 -5.256 1.00 0.00 C ATOM 0 H ALA A 93 -0.236 12.631 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.707 11.070 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.045 9.715 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.374 11.376 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.695 10.811 -5.670 1.00 0.00 H new ATOM 1364 N SER A 94 -1.021 10.216 -1.708 1.00 0.00 N ATOM 1365 CA SER A 94 -0.236 9.426 -0.783 1.00 0.00 C ATOM 1366 C SER A 94 -1.184 8.460 -0.077 1.00 0.00 C ATOM 1367 O SER A 94 -2.404 8.648 -0.113 1.00 0.00 O ATOM 1368 CB SER A 94 0.509 10.346 0.195 1.00 0.00 C ATOM 1369 OG SER A 94 1.351 11.287 -0.463 1.00 0.00 O ATOM 0 H SER A 94 -1.901 10.541 -1.307 1.00 0.00 H new ATOM 0 HA SER A 94 0.529 8.849 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.217 10.881 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.110 9.738 0.871 1.00 0.00 H new ATOM 0 HG SER A 94 0.800 11.939 -0.945 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.637 7.446 0.585 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.387 6.418 1.274 1.00 0.00 C ATOM 1377 C PHE A 95 -0.563 5.827 2.407 1.00 0.00 C ATOM 1378 O PHE A 95 0.593 6.189 2.612 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.789 5.322 0.258 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.651 4.467 -0.297 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.057 4.878 -1.443 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.320 3.237 0.309 1.00 0.00 C ATOM 1383 CE1 PHE A 95 1.086 4.076 -1.971 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.690 2.422 -0.235 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.393 2.839 -1.378 1.00 0.00 C ATOM 0 H PHE A 95 0.373 7.319 0.655 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.287 6.852 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.513 4.661 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.298 5.801 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.191 5.815 -1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.846 2.918 1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.641 4.412 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.925 1.474 0.227 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.165 2.212 -1.799 1.00 0.00 H new ATOM 1395 N THR A 96 -1.176 4.934 3.168 1.00 0.00 N ATOM 1396 CA THR A 96 -0.548 4.150 4.205 1.00 0.00 C ATOM 1397 C THR A 96 -1.158 2.751 4.052 1.00 0.00 C ATOM 1398 O THR A 96 -2.304 2.604 3.612 1.00 0.00 O ATOM 1399 CB THR A 96 -0.709 4.830 5.579 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.279 4.339 6.463 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.097 4.658 6.196 1.00 0.00 C ATOM 0 H THR A 96 -2.171 4.731 3.070 1.00 0.00 H new ATOM 0 HA THR A 96 0.535 4.067 4.120 1.00 0.00 H new ATOM 0 HB THR A 96 -0.585 5.900 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.161 4.657 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.132 5.164 7.161 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.846 5.090 5.533 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.304 3.597 6.335 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.363 1.714 4.293 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.775 0.326 4.138 1.00 0.00 C ATOM 1411 C VAL A 97 -0.967 -0.295 5.525 1.00 0.00 C ATOM 1412 O VAL A 97 -0.296 0.097 6.483 1.00 0.00 O ATOM 1413 CB VAL A 97 0.194 -0.364 3.166 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.645 -0.417 3.638 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.264 -1.757 2.789 1.00 0.00 C ATOM 0 H VAL A 97 0.602 1.818 4.607 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.751 0.204 3.669 1.00 0.00 H new ATOM 0 HB VAL A 97 0.172 0.278 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.254 -0.922 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.017 0.597 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.702 -0.964 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.454 -2.202 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.336 -2.372 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.241 -1.701 2.308 1.00 0.00 H new ATOM 1425 N THR A 98 -1.891 -1.246 5.629 1.00 0.00 N ATOM 1426 CA THR A 98 -2.371 -1.916 6.832 1.00 0.00 C ATOM 1427 C THR A 98 -2.819 -3.341 6.454 1.00 0.00 C ATOM 1428 O THR A 98 -2.705 -3.725 5.284 1.00 0.00 O ATOM 1429 CB THR A 98 -3.566 -1.106 7.388 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.557 -0.918 6.396 1.00 0.00 O ATOM 1431 CG2 THR A 98 -3.201 0.285 7.911 1.00 0.00 C ATOM 0 H THR A 98 -2.365 -1.598 4.797 1.00 0.00 H new ATOM 0 HA THR A 98 -1.589 -1.978 7.589 1.00 0.00 H new ATOM 0 HB THR A 98 -3.926 -1.708 8.222 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.171 -1.089 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.098 0.781 8.281 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.478 0.191 8.721 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.767 0.875 7.104 1.00 0.00 H new ATOM 1439 N LEU A 99 -3.294 -4.139 7.418 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.882 -5.461 7.191 1.00 0.00 C ATOM 1441 C LEU A 99 -5.262 -5.581 7.817 1.00 0.00 C ATOM 1442 O LEU A 99 -5.551 -4.900 8.803 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.989 -6.594 7.734 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.830 -7.003 6.816 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.099 -8.230 7.359 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -2.301 -7.287 5.407 1.00 0.00 C ATOM 0 H LEU A 99 -3.279 -3.874 8.403 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.968 -5.565 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.579 -6.284 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.611 -7.469 7.920 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.143 -6.157 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.283 -8.495 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.696 -8.006 8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.795 -9.066 7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.450 -7.573 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.027 -8.100 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.766 -6.393 4.992 1.00 0.00 H new ATOM 1458 N GLU A 100 -6.095 -6.447 7.236 1.00 0.00 N ATOM 1459 CA GLU A 100 -7.406 -6.817 7.764 1.00 0.00 C ATOM 1460 C GLU A 100 -7.107 -7.935 8.749 1.00 0.00 C ATOM 1461 O GLU A 100 -6.512 -8.957 8.332 1.00 0.00 O ATOM 1462 CB GLU A 100 -8.349 -7.293 6.639 1.00 0.00 C ATOM 1463 CG GLU A 100 -9.693 -7.895 7.105 1.00 0.00 C ATOM 1464 CD GLU A 100 -10.829 -6.869 7.224 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -10.866 -6.056 8.179 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -11.681 -6.776 6.309 1.00 0.00 O ATOM 1467 OXT GLU A 100 -7.407 -7.778 9.945 1.00 0.00 O ATOM 0 H GLU A 100 -5.868 -6.922 6.362 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.919 -5.977 8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.558 -6.448 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.825 -8.039 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.993 -8.674 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.548 -8.375 8.073 1.00 0.00 H new TER 1474 GLU A 100