USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 734 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 39 GLN :FLIP amide:sc= -1.59 F(o=-11!,f=-6.9) USER MOD Set 1.2: A 105 HIS : no HE2:sc= -5.3 K(o=-6.9,f=-10!) USER MOD Single : A 1 GLU N :NH3+ 149:sc= -0.319 (180deg=-1.73!) USER MOD Single : A 2 LYS NZ :NH3+ -107:sc= 0.555 (180deg=0) USER MOD Single : A 9 SER OG : rot -63:sc= -0.699 USER MOD Single : A 11 GLN :FLIP amide:sc= -9.48! C(o=-12!,f=-9.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -2.63 F(o=-6!,f=-2.6) USER MOD Single : A 18 ASN : amide:sc= 0.213 K(o=0.21,f=-10!) USER MOD Single : A 25 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 26 SER OG : rot 180:sc= 0.2! USER MOD Single : A 28 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.8!) USER MOD Single : A 31 THR OG1 : rot 150:sc= 1.2 USER MOD Single : A 32 SER OG : rot 60:sc= 1.21 USER MOD Single : A 38 SER OG : rot 100:sc= 0.404 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.022) USER MOD Single : A 55 SER OG : rot -6:sc= 1.1 USER MOD Single : A 60 MET CE :methyl 162:sc= -8.81! (180deg=-10.8!) USER MOD Single : A 61 GLN : amide:sc= -1.53! X(o=-1.5!,f=-2) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.9) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 160:sc= -1.84! USER MOD Single : A 82 ASN :FLIP amide:sc= -2.04! C(o=-4.8!,f=-2!) USER MOD Single : A 86 SER OG : rot 180:sc= -1.23 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 71:sc= 1.18 USER MOD Single : A 106 TYR OH : rot 150:sc= -5.18! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -9.248 -12.185 17.632 1.00 1.00 N ATOM 2 CA GLU A 1 -8.025 -11.678 17.035 1.00 1.00 C ATOM 3 C GLU A 1 -8.293 -10.348 16.326 1.00 1.00 C ATOM 4 O GLU A 1 -9.395 -10.113 15.836 1.00 1.00 O ATOM 5 CB GLU A 1 -7.420 -12.700 16.071 1.00 1.00 C ATOM 6 CG GLU A 1 -8.478 -13.236 15.105 1.00 1.00 C ATOM 7 CD GLU A 1 -8.287 -14.734 14.857 1.00 1.00 C ATOM 8 OE1 GLU A 1 -7.864 -15.417 15.814 1.00 1.00 O ATOM 9 OE2 GLU A 1 -8.567 -15.160 13.716 1.00 1.00 O ATOM 0 H1 GLU A 1 -9.228 -13.225 17.635 1.00 1.00 H new ATOM 0 H2 GLU A 1 -9.328 -11.837 18.609 1.00 1.00 H new ATOM 0 H3 GLU A 1 -10.066 -11.857 17.080 1.00 1.00 H new ATOM 0 HA GLU A 1 -7.300 -11.505 17.830 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -6.609 -12.238 15.508 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -6.986 -13.525 16.636 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -9.473 -13.055 15.513 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -8.419 -12.697 14.160 1.00 1.00 H new ATOM 16 N LYS A 2 -7.263 -9.513 16.296 1.00 1.00 N ATOM 17 CA LYS A 2 -7.374 -8.213 15.657 1.00 1.00 C ATOM 18 C LYS A 2 -6.065 -7.894 14.932 1.00 1.00 C ATOM 19 O LYS A 2 -5.013 -8.427 15.279 1.00 1.00 O ATOM 20 CB LYS A 2 -7.790 -7.148 16.674 1.00 1.00 C ATOM 21 CG LYS A 2 -8.713 -7.740 17.740 1.00 1.00 C ATOM 22 CD LYS A 2 -8.952 -6.741 18.875 1.00 1.00 C ATOM 23 CE LYS A 2 -10.389 -6.833 19.392 1.00 1.00 C ATOM 24 NZ LYS A 2 -10.557 -6.001 20.605 1.00 1.00 N ATOM 0 H LYS A 2 -6.349 -9.712 16.704 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.162 -8.225 14.904 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -6.904 -6.727 17.148 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -8.297 -6.330 16.163 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -9.665 -8.017 17.288 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.273 -8.653 18.141 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -8.255 -6.937 19.690 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -8.753 -5.729 18.522 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.082 -6.503 18.618 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.635 -7.871 19.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -10.632 -6.616 21.440 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.736 -5.372 20.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -11.421 -5.430 20.517 1.00 1.00 H new ATOM 38 N PRO A 3 -6.176 -7.000 13.912 1.00 1.00 N ATOM 39 CA PRO A 3 -5.013 -6.604 13.136 1.00 1.00 C ATOM 40 C PRO A 3 -4.127 -5.641 13.929 1.00 1.00 C ATOM 41 O PRO A 3 -3.461 -4.783 13.349 1.00 1.00 O ATOM 42 CB PRO A 3 -5.580 -5.983 11.869 1.00 1.00 C ATOM 43 CG PRO A 3 -7.024 -5.633 12.186 1.00 1.00 C ATOM 44 CD PRO A 3 -7.405 -6.348 13.473 1.00 1.00 C ATOM 0 HA PRO A 3 -4.361 -7.444 12.896 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -5.017 -5.095 11.584 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -5.522 -6.680 11.033 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -7.139 -4.555 12.300 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -7.679 -5.940 11.371 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.771 -5.646 14.223 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -8.199 -7.074 13.302 1.00 1.00 H new ATOM 52 N ALA A 4 -4.147 -5.814 15.243 1.00 1.00 N ATOM 53 CA ALA A 4 -3.354 -4.971 16.120 1.00 1.00 C ATOM 54 C ALA A 4 -4.060 -3.628 16.306 1.00 1.00 C ATOM 55 O ALA A 4 -4.735 -3.145 15.397 1.00 1.00 O ATOM 56 CB ALA A 4 -1.946 -4.813 15.542 1.00 1.00 C ATOM 0 H ALA A 4 -4.700 -6.526 15.721 1.00 1.00 H new ATOM 0 HA ALA A 4 -3.254 -5.430 17.104 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -1.351 -4.180 16.201 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -1.475 -5.793 15.458 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -2.007 -4.354 14.555 1.00 1.00 H new ATOM 62 N ALA A 5 -3.882 -3.060 17.491 1.00 1.00 N ATOM 63 CA ALA A 5 -4.495 -1.780 17.807 1.00 1.00 C ATOM 64 C ALA A 5 -3.471 -0.664 17.597 1.00 1.00 C ATOM 65 O ALA A 5 -3.804 0.516 17.703 1.00 1.00 O ATOM 66 CB ALA A 5 -5.037 -1.815 19.237 1.00 1.00 C ATOM 0 H ALA A 5 -3.323 -3.462 18.243 1.00 1.00 H new ATOM 0 HA ALA A 5 -5.337 -1.582 17.144 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -5.497 -0.856 19.475 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -5.782 -2.606 19.325 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -4.219 -2.008 19.931 1.00 1.00 H new ATOM 72 N CYS A 6 -2.245 -1.075 17.306 1.00 1.00 N ATOM 73 CA CYS A 6 -1.171 -0.124 17.082 1.00 1.00 C ATOM 74 C CYS A 6 -1.327 0.455 15.674 1.00 1.00 C ATOM 75 O CYS A 6 -0.576 1.344 15.277 1.00 1.00 O ATOM 76 CB CYS A 6 0.203 -0.764 17.285 1.00 1.00 C ATOM 77 SG CYS A 6 0.508 -1.405 18.973 1.00 1.00 S ATOM 0 H CYS A 6 -1.972 -2.054 17.220 1.00 1.00 H new ATOM 0 HA CYS A 6 -1.237 0.680 17.815 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.316 -1.583 16.574 1.00 1.00 H new ATOM 0 HB3 CYS A 6 0.970 -0.027 17.047 1.00 1.00 H new ATOM 82 N ARG A 7 -2.309 -0.073 14.957 1.00 1.00 N ATOM 83 CA ARG A 7 -2.574 0.378 13.603 1.00 1.00 C ATOM 84 C ARG A 7 -4.006 0.905 13.489 1.00 1.00 C ATOM 85 O ARG A 7 -4.626 0.805 12.431 1.00 1.00 O ATOM 86 CB ARG A 7 -2.373 -0.754 12.594 1.00 1.00 C ATOM 87 CG ARG A 7 -2.184 -2.095 13.306 1.00 1.00 C ATOM 88 CD ARG A 7 -1.571 -3.134 12.365 1.00 1.00 C ATOM 89 NE ARG A 7 -0.625 -3.996 13.109 1.00 1.00 N ATOM 90 CZ ARG A 7 -0.408 -5.288 12.831 1.00 1.00 C ATOM 91 NH1 ARG A 7 -1.069 -5.877 11.825 1.00 1.00 N ATOM 92 NH2 ARG A 7 0.468 -5.993 13.560 1.00 1.00 N ATOM 0 H ARG A 7 -2.931 -0.810 15.290 1.00 1.00 H new ATOM 0 HA ARG A 7 -1.869 1.178 13.378 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.234 -0.810 11.928 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -1.503 -0.542 11.973 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -1.540 -1.962 14.175 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -3.145 -2.454 13.674 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -2.358 -3.743 11.920 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -1.053 -2.634 11.546 1.00 1.00 H new ATOM 0 HE ARG A 7 -0.106 -3.580 13.882 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -1.737 -5.341 11.271 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -0.904 -6.861 11.613 1.00 1.00 H new ATOM 0 HH21 ARG A 7 0.970 -5.546 14.327 1.00 1.00 H new ATOM 0 HH22 ARG A 7 0.633 -6.977 13.348 1.00 1.00 H new ATOM 106 N CYS A 8 -4.490 1.454 14.593 1.00 1.00 N ATOM 107 CA CYS A 8 -5.837 1.996 14.631 1.00 1.00 C ATOM 108 C CYS A 8 -5.804 3.313 15.410 1.00 1.00 C ATOM 109 O CYS A 8 -6.293 4.334 14.929 1.00 1.00 O ATOM 110 CB CYS A 8 -6.831 1.001 15.235 1.00 1.00 C ATOM 111 SG CYS A 8 -6.402 -0.760 14.984 1.00 1.00 S ATOM 0 H CYS A 8 -3.973 1.535 15.468 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.184 2.184 13.615 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.910 1.192 16.305 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.815 1.186 14.805 1.00 1.00 H new ATOM 116 N SER A 9 -5.223 3.246 16.598 1.00 1.00 N ATOM 117 CA SER A 9 -5.119 4.421 17.447 1.00 1.00 C ATOM 118 C SER A 9 -3.810 5.158 17.162 1.00 1.00 C ATOM 119 O SER A 9 -3.545 6.208 17.746 1.00 1.00 O ATOM 120 CB SER A 9 -5.203 4.039 18.926 1.00 1.00 C ATOM 121 OG SER A 9 -4.039 3.344 19.365 1.00 1.00 O ATOM 0 H SER A 9 -4.819 2.397 16.993 1.00 1.00 H new ATOM 0 HA SER A 9 -5.956 5.082 17.222 1.00 1.00 H new ATOM 0 HB2 SER A 9 -5.335 4.939 19.526 1.00 1.00 H new ATOM 0 HB3 SER A 9 -6.081 3.415 19.090 1.00 1.00 H new ATOM 0 HG SER A 9 -3.960 2.498 18.877 1.00 1.00 H new ATOM 127 N ARG A 10 -3.025 4.580 16.264 1.00 1.00 N ATOM 128 CA ARG A 10 -1.749 5.170 15.896 1.00 1.00 C ATOM 129 C ARG A 10 -1.811 5.719 14.468 1.00 1.00 C ATOM 130 O ARG A 10 -0.850 6.316 13.987 1.00 1.00 O ATOM 131 CB ARG A 10 -0.619 4.143 15.991 1.00 1.00 C ATOM 132 CG ARG A 10 0.462 4.607 16.970 1.00 1.00 C ATOM 133 CD ARG A 10 1.457 5.544 16.284 1.00 1.00 C ATOM 134 NE ARG A 10 1.018 6.949 16.439 1.00 1.00 N ATOM 135 CZ ARG A 10 1.218 7.681 17.543 1.00 1.00 C ATOM 136 NH1 ARG A 10 1.851 7.146 18.597 1.00 1.00 N ATOM 137 NH2 ARG A 10 0.785 8.949 17.595 1.00 1.00 N ATOM 0 H ARG A 10 -3.248 3.710 15.781 1.00 1.00 H new ATOM 0 HA ARG A 10 -1.546 5.982 16.594 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -1.021 3.183 16.316 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -0.180 3.988 15.006 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -0.002 5.118 17.814 1.00 1.00 H new ATOM 0 HG3 ARG A 10 0.989 3.742 17.372 1.00 1.00 H new ATOM 0 HD2 ARG A 10 2.449 5.414 16.717 1.00 1.00 H new ATOM 0 HD3 ARG A 10 1.535 5.293 15.226 1.00 1.00 H new ATOM 0 HE ARG A 10 0.533 7.387 15.656 1.00 1.00 H new ATOM 0 HH11 ARG A 10 2.180 6.181 18.558 1.00 1.00 H new ATOM 0 HH12 ARG A 10 2.003 7.704 19.437 1.00 1.00 H new ATOM 0 HH21 ARG A 10 0.303 9.357 16.794 1.00 1.00 H new ATOM 0 HH22 ARG A 10 0.938 9.506 18.436 1.00 1.00 H new ATOM 151 N GLN A 11 -2.952 5.497 13.833 1.00 1.00 N ATOM 152 CA GLN A 11 -3.152 5.961 12.470 1.00 1.00 C ATOM 153 C GLN A 11 -3.031 7.484 12.406 1.00 1.00 C ATOM 154 O GLN A 11 -2.112 8.063 12.983 1.00 1.00 O ATOM 155 CB GLN A 11 -4.503 5.495 11.925 1.00 1.00 C ATOM 156 CG GLN A 11 -4.642 3.974 12.031 1.00 1.00 C ATOM 157 CD GLN A 11 -5.308 3.396 10.781 1.00 1.00 C ATOM 158 OE1 GLN A 11 -4.469 2.763 9.965 1.00 1.00 O flip ATOM 159 NE2 GLN A 11 -6.503 3.514 10.571 1.00 1.00 N flip ATOM 0 H GLN A 11 -3.748 5.002 14.236 1.00 1.00 H new ATOM 0 HA GLN A 11 -2.375 5.527 11.841 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -5.309 5.977 12.479 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -4.605 5.801 10.884 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -3.658 3.524 12.164 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -5.231 3.720 12.912 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -7.091 4.012 11.239 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -6.915 3.114 9.728 1.00 1.00 H new ATOM 168 N ASP A 12 -3.973 8.092 11.698 1.00 1.00 N ATOM 169 CA ASP A 12 -3.983 9.538 11.551 1.00 1.00 C ATOM 170 C ASP A 12 -5.353 10.078 11.967 1.00 1.00 C ATOM 171 O ASP A 12 -6.370 9.417 11.768 1.00 1.00 O ATOM 172 CB ASP A 12 -3.736 9.944 10.097 1.00 1.00 C ATOM 173 CG ASP A 12 -3.936 11.432 9.799 1.00 1.00 C ATOM 174 OD1 ASP A 12 -5.078 11.900 9.992 1.00 1.00 O ATOM 175 OD2 ASP A 12 -2.941 12.066 9.384 1.00 1.00 O ATOM 0 H ASP A 12 -4.734 7.609 11.220 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.192 9.948 12.179 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -2.717 9.668 9.826 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.403 9.367 9.456 1.00 1.00 H new ATOM 180 N PRO A 13 -5.332 11.306 12.552 1.00 1.00 N ATOM 181 CA PRO A 13 -6.559 11.942 12.998 1.00 1.00 C ATOM 182 C PRO A 13 -7.359 12.483 11.811 1.00 1.00 C ATOM 183 O PRO A 13 -7.291 13.671 11.502 1.00 1.00 O ATOM 184 CB PRO A 13 -6.110 13.033 13.957 1.00 1.00 C ATOM 185 CG PRO A 13 -4.639 13.271 13.658 1.00 1.00 C ATOM 186 CD PRO A 13 -4.144 12.117 12.803 1.00 1.00 C ATOM 0 HA PRO A 13 -7.237 11.247 13.494 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -6.690 13.944 13.812 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -6.253 12.726 14.993 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -4.504 14.218 13.136 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -4.067 13.333 14.584 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -3.704 12.474 11.872 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -3.374 11.543 13.319 1.00 1.00 H new ATOM 194 N LYS A 14 -8.099 11.583 11.178 1.00 1.00 N ATOM 195 CA LYS A 14 -8.911 11.956 10.032 1.00 1.00 C ATOM 196 C LYS A 14 -8.166 11.593 8.746 1.00 1.00 C ATOM 197 O LYS A 14 -7.273 12.322 8.316 1.00 1.00 O ATOM 198 CB LYS A 14 -9.313 13.430 10.116 1.00 1.00 C ATOM 199 CG LYS A 14 -10.593 13.694 9.320 1.00 1.00 C ATOM 200 CD LYS A 14 -10.478 14.988 8.512 1.00 1.00 C ATOM 201 CE LYS A 14 -11.768 15.806 8.599 1.00 1.00 C ATOM 202 NZ LYS A 14 -11.503 17.130 9.207 1.00 1.00 N ATOM 0 H LYS A 14 -8.153 10.598 11.437 1.00 1.00 H new ATOM 0 HA LYS A 14 -9.846 11.396 10.029 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.464 13.711 11.158 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -8.506 14.054 9.731 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.787 12.858 8.649 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -11.442 13.760 10.001 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -9.642 15.580 8.884 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -10.262 14.752 7.470 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -12.192 15.935 7.603 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -12.507 15.268 9.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -12.389 17.672 9.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -11.120 17.002 10.165 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -10.814 17.648 8.625 1.00 1.00 H new ATOM 216 N ASN A 15 -8.561 10.469 8.167 1.00 1.00 N ATOM 217 CA ASN A 15 -7.942 10.002 6.939 1.00 1.00 C ATOM 218 C ASN A 15 -9.026 9.487 5.990 1.00 1.00 C ATOM 219 O ASN A 15 -9.018 9.806 4.802 1.00 1.00 O ATOM 220 CB ASN A 15 -6.970 8.852 7.215 1.00 1.00 C ATOM 221 CG ASN A 15 -5.520 9.334 7.153 1.00 1.00 C ATOM 222 OD1 ASN A 15 -5.343 10.576 7.595 1.00 1.00 O flip ATOM 223 ND2 ASN A 15 -4.620 8.625 6.734 1.00 1.00 N flip ATOM 0 H ASN A 15 -9.303 9.868 8.526 1.00 1.00 H new ATOM 0 HA ASN A 15 -7.398 10.837 6.497 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -7.174 8.426 8.198 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -7.124 8.057 6.485 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -4.824 7.680 6.409 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -3.663 8.977 6.708 1.00 1.00 H new ATOM 230 N ARG A 16 -9.933 8.700 6.550 1.00 1.00 N ATOM 231 CA ARG A 16 -11.021 8.139 5.768 1.00 1.00 C ATOM 232 C ARG A 16 -10.599 6.805 5.151 1.00 1.00 C ATOM 233 O ARG A 16 -9.674 6.157 5.638 1.00 1.00 O ATOM 234 CB ARG A 16 -11.450 9.096 4.654 1.00 1.00 C ATOM 235 CG ARG A 16 -12.956 9.004 4.401 1.00 1.00 C ATOM 236 CD ARG A 16 -13.274 9.186 2.916 1.00 1.00 C ATOM 237 NE ARG A 16 -14.324 8.228 2.501 1.00 1.00 N ATOM 238 CZ ARG A 16 -15.639 8.453 2.628 1.00 1.00 C ATOM 239 NH1 ARG A 16 -16.074 9.604 3.159 1.00 1.00 N ATOM 240 NH2 ARG A 16 -16.518 7.527 2.224 1.00 1.00 N ATOM 0 H ARG A 16 -9.937 8.438 7.536 1.00 1.00 H new ATOM 0 HA ARG A 16 -11.865 7.981 6.440 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -11.185 10.118 4.926 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -10.909 8.859 3.738 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -13.327 8.037 4.740 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -13.474 9.766 4.984 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -13.608 10.207 2.730 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -12.374 9.031 2.321 1.00 1.00 H new ATOM 0 HE ARG A 16 -14.028 7.341 2.093 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -15.404 10.309 3.467 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -17.075 9.775 3.256 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -16.187 6.651 1.820 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -17.519 7.698 2.320 1.00 1.00 H new ATOM 254 N VAL A 17 -11.296 6.435 4.087 1.00 1.00 N ATOM 255 CA VAL A 17 -11.004 5.189 3.397 1.00 1.00 C ATOM 256 C VAL A 17 -11.513 4.015 4.237 1.00 1.00 C ATOM 257 O VAL A 17 -10.832 2.999 4.366 1.00 1.00 O ATOM 258 CB VAL A 17 -9.508 5.100 3.089 1.00 1.00 C ATOM 259 CG1 VAL A 17 -9.219 3.972 2.096 1.00 1.00 C ATOM 260 CG2 VAL A 17 -8.975 6.436 2.572 1.00 1.00 C ATOM 0 H VAL A 17 -12.062 6.976 3.685 1.00 1.00 H new ATOM 0 HA VAL A 17 -11.522 5.152 2.439 1.00 1.00 H new ATOM 0 HB VAL A 17 -8.987 4.869 4.018 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -8.149 3.930 1.894 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -9.546 3.022 2.519 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -9.757 4.159 1.166 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -7.910 6.345 2.361 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -9.504 6.710 1.659 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -9.131 7.207 3.327 1.00 1.00 H new ATOM 270 N ASN A 18 -12.704 4.195 4.786 1.00 1.00 N ATOM 271 CA ASN A 18 -13.312 3.164 5.610 1.00 1.00 C ATOM 272 C ASN A 18 -12.858 1.788 5.116 1.00 1.00 C ATOM 273 O ASN A 18 -12.697 1.579 3.914 1.00 1.00 O ATOM 274 CB ASN A 18 -14.839 3.217 5.523 1.00 1.00 C ATOM 275 CG ASN A 18 -15.462 1.911 6.020 1.00 1.00 C ATOM 276 OD1 ASN A 18 -15.491 0.905 5.330 1.00 1.00 O ATOM 277 ND2 ASN A 18 -15.959 1.983 7.251 1.00 1.00 N ATOM 0 H ASN A 18 -13.265 5.040 4.677 1.00 1.00 H new ATOM 0 HA ASN A 18 -13.004 3.333 6.642 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -15.212 4.051 6.117 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -15.142 3.399 4.492 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -16.398 1.164 7.673 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -15.901 2.857 7.774 1.00 1.00 H new ATOM 284 N CYS A 19 -12.666 0.887 6.066 1.00 1.00 N ATOM 285 CA CYS A 19 -12.234 -0.462 5.743 1.00 1.00 C ATOM 286 C CYS A 19 -13.187 -1.448 6.421 1.00 1.00 C ATOM 287 O CYS A 19 -12.749 -2.438 7.005 1.00 1.00 O ATOM 288 CB CYS A 19 -10.778 -0.704 6.149 1.00 1.00 C ATOM 289 SG CYS A 19 -9.914 -1.992 5.179 1.00 1.00 S ATOM 0 H CYS A 19 -12.802 1.064 7.061 1.00 1.00 H new ATOM 0 HA CYS A 19 -12.270 -0.608 4.663 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -10.229 0.233 6.053 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -10.751 -0.983 7.202 1.00 1.00 H new ATOM 294 N GLY A 20 -14.472 -1.144 6.320 1.00 1.00 N ATOM 295 CA GLY A 20 -15.491 -1.991 6.917 1.00 1.00 C ATOM 296 C GLY A 20 -16.826 -1.842 6.184 1.00 1.00 C ATOM 297 O GLY A 20 -16.897 -2.035 4.971 1.00 1.00 O ATOM 0 H GLY A 20 -14.831 -0.323 5.834 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -15.169 -3.032 6.885 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -15.617 -1.729 7.967 1.00 1.00 H new ATOM 301 N PHE A 21 -17.850 -1.500 6.951 1.00 1.00 N ATOM 302 CA PHE A 21 -19.179 -1.324 6.389 1.00 1.00 C ATOM 303 C PHE A 21 -20.156 -0.806 7.446 1.00 1.00 C ATOM 304 O PHE A 21 -19.883 -0.886 8.643 1.00 1.00 O ATOM 305 CB PHE A 21 -19.648 -2.698 5.908 1.00 1.00 C ATOM 306 CG PHE A 21 -19.721 -3.753 7.014 1.00 1.00 C ATOM 307 CD1 PHE A 21 -18.625 -4.499 7.317 1.00 1.00 C ATOM 308 CD2 PHE A 21 -20.883 -3.944 7.694 1.00 1.00 C ATOM 309 CE1 PHE A 21 -18.693 -5.477 8.343 1.00 1.00 C ATOM 310 CE2 PHE A 21 -20.951 -4.923 8.721 1.00 1.00 C ATOM 311 CZ PHE A 21 -19.854 -5.669 9.024 1.00 1.00 C ATOM 0 H PHE A 21 -17.787 -1.340 7.956 1.00 1.00 H new ATOM 0 HA PHE A 21 -19.146 -0.599 5.576 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -20.633 -2.595 5.452 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -18.971 -3.049 5.129 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -17.702 -4.347 6.777 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -21.754 -3.352 7.453 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -17.822 -6.069 8.583 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -21.874 -5.075 9.261 1.00 1.00 H new ATOM 0 HZ PHE A 21 -19.906 -6.413 9.805 1.00 1.00 H new ATOM 321 N PRO A 22 -21.306 -0.272 6.953 1.00 1.00 N ATOM 322 CA PRO A 22 -22.326 0.259 7.842 1.00 1.00 C ATOM 323 C PRO A 22 -23.101 -0.870 8.523 1.00 1.00 C ATOM 324 O PRO A 22 -23.891 -1.562 7.881 1.00 1.00 O ATOM 325 CB PRO A 22 -23.202 1.132 6.958 1.00 1.00 C ATOM 326 CG PRO A 22 -22.923 0.693 5.530 1.00 1.00 C ATOM 327 CD PRO A 22 -21.664 -0.160 5.542 1.00 1.00 C ATOM 0 HA PRO A 22 -21.907 0.840 8.663 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -24.256 1.006 7.206 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -22.966 2.187 7.095 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -23.765 0.125 5.134 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -22.790 1.560 4.883 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -21.845 -1.140 5.100 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -20.864 0.306 4.966 1.00 1.00 H new ATOM 335 N GLY A 23 -22.850 -1.023 9.815 1.00 1.00 N ATOM 336 CA GLY A 23 -23.515 -2.056 10.590 1.00 1.00 C ATOM 337 C GLY A 23 -22.497 -3.004 11.227 1.00 1.00 C ATOM 338 O GLY A 23 -22.870 -3.934 11.940 1.00 1.00 O ATOM 0 H GLY A 23 -22.195 -0.448 10.345 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -24.125 -1.596 11.367 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -24.190 -2.620 9.947 1.00 1.00 H new ATOM 342 N ILE A 24 -21.230 -2.735 10.948 1.00 1.00 N ATOM 343 CA ILE A 24 -20.154 -3.553 11.484 1.00 1.00 C ATOM 344 C ILE A 24 -20.294 -3.637 13.005 1.00 1.00 C ATOM 345 O ILE A 24 -21.032 -2.858 13.609 1.00 1.00 O ATOM 346 CB ILE A 24 -18.796 -3.023 11.020 1.00 1.00 C ATOM 347 CG1 ILE A 24 -17.762 -4.148 10.957 1.00 1.00 C ATOM 348 CG2 ILE A 24 -18.329 -1.863 11.902 1.00 1.00 C ATOM 349 CD1 ILE A 24 -16.581 -3.759 10.065 1.00 1.00 C ATOM 0 H ILE A 24 -20.924 -1.962 10.357 1.00 1.00 H new ATOM 0 HA ILE A 24 -20.221 -4.571 11.100 1.00 1.00 H new ATOM 0 HB ILE A 24 -18.909 -2.632 10.009 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -17.404 -4.375 11.961 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -18.229 -5.055 10.573 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -17.361 -1.505 11.550 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -19.056 -1.052 11.852 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.237 -2.204 12.933 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -15.861 -4.577 10.038 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -16.939 -3.557 9.055 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -16.101 -2.866 10.466 1.00 1.00 H new ATOM 361 N THR A 25 -19.576 -4.588 13.582 1.00 1.00 N ATOM 362 CA THR A 25 -19.611 -4.784 15.021 1.00 1.00 C ATOM 363 C THR A 25 -18.197 -5.000 15.565 1.00 1.00 C ATOM 364 O THR A 25 -17.861 -6.095 16.016 1.00 1.00 O ATOM 365 CB THR A 25 -20.560 -5.948 15.317 1.00 1.00 C ATOM 366 OG1 THR A 25 -19.791 -7.109 15.013 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.733 -6.010 14.337 1.00 1.00 C ATOM 0 H THR A 25 -18.966 -5.232 13.079 1.00 1.00 H new ATOM 0 HA THR A 25 -19.990 -3.898 15.531 1.00 1.00 H new ATOM 0 HB THR A 25 -20.941 -5.856 16.334 1.00 1.00 H new ATOM 0 HG1 THR A 25 -19.127 -7.256 15.719 1.00 1.00 H new ATOM 0 HG21 THR A 25 -22.375 -6.853 14.591 1.00 1.00 H new ATOM 0 HG22 THR A 25 -22.307 -5.085 14.398 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.354 -6.136 13.323 1.00 1.00 H new ATOM 375 N SER A 26 -17.406 -3.939 15.503 1.00 1.00 N ATOM 376 CA SER A 26 -16.036 -3.999 15.983 1.00 1.00 C ATOM 377 C SER A 26 -15.393 -5.323 15.568 1.00 1.00 C ATOM 378 O SER A 26 -14.624 -5.371 14.609 1.00 1.00 O ATOM 379 CB SER A 26 -15.977 -3.834 17.503 1.00 1.00 C ATOM 380 OG SER A 26 -16.607 -4.916 18.182 1.00 1.00 O ATOM 0 H SER A 26 -17.688 -3.033 15.128 1.00 1.00 H new ATOM 0 HA SER A 26 -15.480 -3.176 15.533 1.00 1.00 H new ATOM 0 HB2 SER A 26 -14.936 -3.764 17.820 1.00 1.00 H new ATOM 0 HB3 SER A 26 -16.460 -2.898 17.785 1.00 1.00 H new ATOM 0 HG SER A 26 -16.547 -4.774 19.150 1.00 1.00 H new ATOM 386 N ASP A 27 -15.731 -6.367 16.311 1.00 1.00 N ATOM 387 CA ASP A 27 -15.196 -7.689 16.033 1.00 1.00 C ATOM 388 C ASP A 27 -14.910 -7.814 14.535 1.00 1.00 C ATOM 389 O ASP A 27 -13.752 -7.850 14.121 1.00 1.00 O ATOM 390 CB ASP A 27 -16.198 -8.780 16.415 1.00 1.00 C ATOM 391 CG ASP A 27 -15.775 -10.204 16.048 1.00 1.00 C ATOM 392 OD1 ASP A 27 -15.166 -10.354 14.966 1.00 1.00 O ATOM 393 OD2 ASP A 27 -16.070 -11.110 16.857 1.00 1.00 O ATOM 0 H ASP A 27 -16.369 -6.324 17.106 1.00 1.00 H new ATOM 0 HA ASP A 27 -14.285 -7.814 16.619 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.370 -8.734 17.490 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -17.150 -8.564 15.930 1.00 1.00 H new ATOM 398 N GLN A 28 -15.986 -7.874 13.762 1.00 1.00 N ATOM 399 CA GLN A 28 -15.865 -7.994 12.320 1.00 1.00 C ATOM 400 C GLN A 28 -14.943 -6.902 11.772 1.00 1.00 C ATOM 401 O GLN A 28 -14.323 -7.077 10.724 1.00 1.00 O ATOM 402 CB GLN A 28 -17.238 -7.939 11.649 1.00 1.00 C ATOM 403 CG GLN A 28 -18.087 -9.151 12.037 1.00 1.00 C ATOM 404 CD GLN A 28 -17.583 -10.419 11.345 1.00 1.00 C ATOM 405 OE1 GLN A 28 -16.430 -10.800 11.456 1.00 1.00 O ATOM 406 NE2 GLN A 28 -18.509 -11.048 10.628 1.00 1.00 N ATOM 0 H GLN A 28 -16.945 -7.842 14.108 1.00 1.00 H new ATOM 0 HA GLN A 28 -15.423 -8.964 12.091 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -17.752 -7.023 11.939 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -17.117 -7.907 10.566 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -18.060 -9.287 13.118 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -19.127 -8.973 11.764 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -19.457 -10.674 10.578 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -18.272 -11.905 10.128 1.00 1.00 H new ATOM 415 N CYS A 29 -14.881 -5.801 12.506 1.00 1.00 N ATOM 416 CA CYS A 29 -14.046 -4.681 12.107 1.00 1.00 C ATOM 417 C CYS A 29 -12.711 -4.789 12.848 1.00 1.00 C ATOM 418 O CYS A 29 -11.866 -3.902 12.744 1.00 1.00 O ATOM 419 CB CYS A 29 -14.735 -3.340 12.367 1.00 1.00 C ATOM 420 SG CYS A 29 -14.205 -1.979 11.265 1.00 1.00 S ATOM 0 H CYS A 29 -15.396 -5.661 13.375 1.00 1.00 H new ATOM 0 HA CYS A 29 -13.869 -4.722 11.032 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -15.812 -3.474 12.263 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.549 -3.046 13.400 1.00 1.00 H new ATOM 425 N PHE A 30 -12.564 -5.885 13.579 1.00 1.00 N ATOM 426 CA PHE A 30 -11.347 -6.121 14.337 1.00 1.00 C ATOM 427 C PHE A 30 -10.912 -7.584 14.233 1.00 1.00 C ATOM 428 O PHE A 30 -10.306 -8.121 15.159 1.00 1.00 O ATOM 429 CB PHE A 30 -11.661 -5.796 15.798 1.00 1.00 C ATOM 430 CG PHE A 30 -11.272 -4.376 16.217 1.00 1.00 C ATOM 431 CD1 PHE A 30 -10.111 -3.828 15.771 1.00 1.00 C ATOM 432 CD2 PHE A 30 -12.090 -3.662 17.037 1.00 1.00 C ATOM 433 CE1 PHE A 30 -9.751 -2.511 16.159 1.00 1.00 C ATOM 434 CE2 PHE A 30 -11.729 -2.345 17.427 1.00 1.00 C ATOM 435 CZ PHE A 30 -10.568 -1.797 16.979 1.00 1.00 C ATOM 0 H PHE A 30 -13.267 -6.619 13.662 1.00 1.00 H new ATOM 0 HA PHE A 30 -10.539 -5.502 13.947 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.728 -5.935 15.969 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -11.140 -6.508 16.438 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -9.462 -4.395 15.121 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -13.013 -4.096 17.391 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -8.829 -2.076 15.803 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -12.377 -1.779 18.080 1.00 1.00 H new ATOM 0 HZ PHE A 30 -10.295 -0.795 17.274 1.00 1.00 H new ATOM 445 N THR A 31 -11.238 -8.186 13.099 1.00 1.00 N ATOM 446 CA THR A 31 -10.888 -9.576 12.863 1.00 1.00 C ATOM 447 C THR A 31 -10.194 -9.729 11.508 1.00 1.00 C ATOM 448 O THR A 31 -9.047 -9.318 11.345 1.00 1.00 O ATOM 449 CB THR A 31 -12.163 -10.412 12.990 1.00 1.00 C ATOM 450 OG1 THR A 31 -12.463 -10.379 14.383 1.00 1.00 O ATOM 451 CG2 THR A 31 -11.923 -11.895 12.696 1.00 1.00 C ATOM 0 H THR A 31 -11.741 -7.737 12.334 1.00 1.00 H new ATOM 0 HA THR A 31 -10.171 -9.934 13.602 1.00 1.00 H new ATOM 0 HB THR A 31 -12.920 -10.024 12.308 1.00 1.00 H new ATOM 0 HG1 THR A 31 -13.432 -10.451 14.511 1.00 1.00 H new ATOM 0 HG21 THR A 31 -12.860 -12.443 12.800 1.00 1.00 H new ATOM 0 HG22 THR A 31 -11.548 -12.008 11.679 1.00 1.00 H new ATOM 0 HG23 THR A 31 -11.191 -12.291 13.399 1.00 1.00 H new ATOM 459 N SER A 32 -10.920 -10.322 10.571 1.00 1.00 N ATOM 460 CA SER A 32 -10.388 -10.534 9.236 1.00 1.00 C ATOM 461 C SER A 32 -10.813 -9.389 8.315 1.00 1.00 C ATOM 462 O SER A 32 -11.000 -9.588 7.116 1.00 1.00 O ATOM 463 CB SER A 32 -10.852 -11.875 8.665 1.00 1.00 C ATOM 464 OG SER A 32 -11.982 -11.728 7.808 1.00 1.00 O ATOM 0 H SER A 32 -11.872 -10.662 10.710 1.00 1.00 H new ATOM 0 HA SER A 32 -9.300 -10.554 9.301 1.00 1.00 H new ATOM 0 HB2 SER A 32 -10.034 -12.336 8.111 1.00 1.00 H new ATOM 0 HB3 SER A 32 -11.103 -12.550 9.483 1.00 1.00 H new ATOM 0 HG SER A 32 -11.751 -11.138 7.060 1.00 1.00 H new ATOM 470 N GLY A 33 -10.954 -8.214 8.911 1.00 1.00 N ATOM 471 CA GLY A 33 -11.355 -7.037 8.159 1.00 1.00 C ATOM 472 C GLY A 33 -10.277 -5.952 8.224 1.00 1.00 C ATOM 473 O GLY A 33 -9.317 -5.979 7.456 1.00 1.00 O ATOM 0 H GLY A 33 -10.798 -8.052 9.906 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -11.539 -7.310 7.120 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -12.292 -6.648 8.557 1.00 1.00 H new ATOM 477 N CYS A 34 -10.473 -5.023 9.150 1.00 1.00 N ATOM 478 CA CYS A 34 -9.531 -3.932 9.324 1.00 1.00 C ATOM 479 C CYS A 34 -9.586 -3.479 10.784 1.00 1.00 C ATOM 480 O CYS A 34 -9.981 -4.245 11.662 1.00 1.00 O ATOM 481 CB CYS A 34 -9.812 -2.780 8.358 1.00 1.00 C ATOM 482 SG CYS A 34 -9.567 -3.183 6.590 1.00 1.00 S ATOM 0 H CYS A 34 -11.270 -5.005 9.786 1.00 1.00 H new ATOM 0 HA CYS A 34 -8.524 -4.277 9.089 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -10.840 -2.447 8.501 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -9.166 -1.941 8.618 1.00 1.00 H new ATOM 487 N CYS A 35 -9.185 -2.234 11.001 1.00 1.00 N ATOM 488 CA CYS A 35 -9.184 -1.671 12.340 1.00 1.00 C ATOM 489 C CYS A 35 -10.536 -0.995 12.576 1.00 1.00 C ATOM 490 O CYS A 35 -11.301 -0.781 11.637 1.00 1.00 O ATOM 491 CB CYS A 35 -8.018 -0.701 12.544 1.00 1.00 C ATOM 492 SG CYS A 35 -6.490 -1.466 13.201 1.00 1.00 S ATOM 0 H CYS A 35 -8.859 -1.600 10.272 1.00 1.00 H new ATOM 0 HA CYS A 35 -9.043 -2.466 13.073 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -7.788 -0.225 11.591 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -8.335 0.088 13.226 1.00 1.00 H new ATOM 497 N PHE A 36 -10.789 -0.676 13.837 1.00 1.00 N ATOM 498 CA PHE A 36 -12.035 -0.028 14.210 1.00 1.00 C ATOM 499 C PHE A 36 -11.839 0.884 15.423 1.00 1.00 C ATOM 500 O PHE A 36 -12.152 0.502 16.548 1.00 1.00 O ATOM 501 CB PHE A 36 -13.023 -1.138 14.577 1.00 1.00 C ATOM 502 CG PHE A 36 -14.381 -0.626 15.064 1.00 1.00 C ATOM 503 CD1 PHE A 36 -15.081 0.266 14.314 1.00 1.00 C ATOM 504 CD2 PHE A 36 -14.887 -1.064 16.249 1.00 1.00 C ATOM 505 CE1 PHE A 36 -16.340 0.741 14.766 1.00 1.00 C ATOM 506 CE2 PHE A 36 -16.147 -0.590 16.700 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.846 0.303 15.951 1.00 1.00 C ATOM 0 H PHE A 36 -10.152 -0.854 14.613 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.397 0.584 13.384 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.177 -1.775 13.706 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.581 -1.761 15.354 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.679 0.613 13.374 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -14.331 -1.772 16.846 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -16.896 1.450 14.170 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -16.550 -0.939 17.639 1.00 1.00 H new ATOM 0 HZ PHE A 36 -17.803 0.665 16.296 1.00 1.00 H new ATOM 517 N ASP A 37 -11.321 2.072 15.150 1.00 1.00 N ATOM 518 CA ASP A 37 -11.078 3.043 16.203 1.00 1.00 C ATOM 519 C ASP A 37 -12.217 4.065 16.222 1.00 1.00 C ATOM 520 O ASP A 37 -12.218 5.012 15.438 1.00 1.00 O ATOM 521 CB ASP A 37 -9.769 3.798 15.966 1.00 1.00 C ATOM 522 CG ASP A 37 -9.495 4.942 16.945 1.00 1.00 C ATOM 523 OD1 ASP A 37 -9.374 4.639 18.152 1.00 1.00 O ATOM 524 OD2 ASP A 37 -9.415 6.093 16.465 1.00 1.00 O ATOM 0 H ASP A 37 -11.063 2.385 14.214 1.00 1.00 H new ATOM 0 HA ASP A 37 -11.017 2.505 17.149 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -8.943 3.089 16.020 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -9.778 4.201 14.953 1.00 1.00 H new ATOM 529 N SER A 38 -13.158 3.837 17.127 1.00 1.00 N ATOM 530 CA SER A 38 -14.300 4.726 17.258 1.00 1.00 C ATOM 531 C SER A 38 -13.984 5.839 18.260 1.00 1.00 C ATOM 532 O SER A 38 -14.758 6.783 18.408 1.00 1.00 O ATOM 533 CB SER A 38 -15.549 3.958 17.692 1.00 1.00 C ATOM 534 OG SER A 38 -16.646 4.828 17.957 1.00 1.00 O ATOM 0 H SER A 38 -13.153 3.050 17.776 1.00 1.00 H new ATOM 0 HA SER A 38 -14.502 5.170 16.283 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.828 3.250 16.912 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.324 3.376 18.586 1.00 1.00 H new ATOM 0 HG SER A 38 -17.247 4.841 17.183 1.00 1.00 H new ATOM 540 N GLN A 39 -12.848 5.689 18.923 1.00 1.00 N ATOM 541 CA GLN A 39 -12.421 6.669 19.907 1.00 1.00 C ATOM 542 C GLN A 39 -12.505 8.080 19.322 1.00 1.00 C ATOM 543 O GLN A 39 -12.494 9.063 20.060 1.00 1.00 O ATOM 544 CB GLN A 39 -11.006 6.366 20.406 1.00 1.00 C ATOM 545 CG GLN A 39 -11.017 5.226 21.427 1.00 1.00 C ATOM 546 CD GLN A 39 -10.073 5.527 22.593 1.00 1.00 C ATOM 547 OE1 GLN A 39 -8.799 5.665 22.236 1.00 1.00 O flip ATOM 548 NE2 GLN A 39 -10.475 5.627 23.741 1.00 1.00 N flip ATOM 0 H GLN A 39 -12.209 4.903 18.798 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.093 6.611 20.763 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.369 6.098 19.563 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -10.577 7.260 20.858 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.030 5.079 21.803 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.718 4.296 20.943 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -11.467 5.509 23.946 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -9.819 5.828 24.495 1.00 1.00 H new ATOM 557 N VAL A 40 -12.587 8.135 18.001 1.00 1.00 N ATOM 558 CA VAL A 40 -12.672 9.409 17.308 1.00 1.00 C ATOM 559 C VAL A 40 -14.074 9.568 16.714 1.00 1.00 C ATOM 560 O VAL A 40 -14.369 9.015 15.657 1.00 1.00 O ATOM 561 CB VAL A 40 -11.563 9.511 16.259 1.00 1.00 C ATOM 562 CG1 VAL A 40 -11.708 10.789 15.431 1.00 1.00 C ATOM 563 CG2 VAL A 40 -10.182 9.433 16.912 1.00 1.00 C ATOM 0 H VAL A 40 -12.596 7.317 17.392 1.00 1.00 H new ATOM 0 HA VAL A 40 -12.517 10.233 18.004 1.00 1.00 H new ATOM 0 HB VAL A 40 -11.661 8.662 15.583 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -10.907 10.837 14.693 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -12.672 10.785 14.922 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -11.648 11.657 16.088 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -9.412 9.508 16.144 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -10.068 10.253 17.621 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -10.081 8.483 17.436 1.00 1.00 H new ATOM 573 N PRO A 41 -14.921 10.347 17.439 1.00 1.00 N ATOM 574 CA PRO A 41 -16.283 10.587 16.995 1.00 1.00 C ATOM 575 C PRO A 41 -16.314 11.577 15.829 1.00 1.00 C ATOM 576 O PRO A 41 -15.578 12.564 15.828 1.00 1.00 O ATOM 577 CB PRO A 41 -17.015 11.095 18.226 1.00 1.00 C ATOM 578 CG PRO A 41 -15.935 11.562 19.189 1.00 1.00 C ATOM 579 CD PRO A 41 -14.604 11.019 18.696 1.00 1.00 C ATOM 0 HA PRO A 41 -16.763 9.689 16.606 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -17.690 11.912 17.970 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -17.622 10.308 18.672 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -15.910 12.651 19.235 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -16.143 11.205 20.198 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -13.881 11.820 18.545 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -14.167 10.327 19.416 1.00 1.00 H new ATOM 587 N GLY A 42 -17.173 11.281 14.865 1.00 1.00 N ATOM 588 CA GLY A 42 -17.309 12.133 13.696 1.00 1.00 C ATOM 589 C GLY A 42 -16.569 11.541 12.496 1.00 1.00 C ATOM 590 O GLY A 42 -17.012 11.683 11.357 1.00 1.00 O ATOM 0 H GLY A 42 -17.782 10.463 14.870 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -18.364 12.256 13.452 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -16.915 13.125 13.917 1.00 1.00 H new ATOM 594 N VAL A 43 -15.455 10.888 12.792 1.00 1.00 N ATOM 595 CA VAL A 43 -14.649 10.273 11.752 1.00 1.00 C ATOM 596 C VAL A 43 -15.021 8.793 11.632 1.00 1.00 C ATOM 597 O VAL A 43 -15.767 8.269 12.456 1.00 1.00 O ATOM 598 CB VAL A 43 -13.163 10.494 12.041 1.00 1.00 C ATOM 599 CG1 VAL A 43 -12.933 11.843 12.726 1.00 1.00 C ATOM 600 CG2 VAL A 43 -12.591 9.349 12.877 1.00 1.00 C ATOM 0 H VAL A 43 -15.092 10.772 13.738 1.00 1.00 H new ATOM 0 HA VAL A 43 -14.851 10.739 10.787 1.00 1.00 H new ATOM 0 HB VAL A 43 -12.634 10.508 11.088 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -11.869 11.976 12.920 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -13.286 12.645 12.078 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -13.480 11.871 13.668 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -11.533 9.531 13.068 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -13.126 9.288 13.825 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -12.705 8.410 12.335 1.00 1.00 H new ATOM 610 N PRO A 44 -14.467 8.145 10.571 1.00 1.00 N ATOM 611 CA PRO A 44 -14.732 6.737 10.334 1.00 1.00 C ATOM 612 C PRO A 44 -13.958 5.859 11.319 1.00 1.00 C ATOM 613 O PRO A 44 -12.729 5.903 11.362 1.00 1.00 O ATOM 614 CB PRO A 44 -14.333 6.501 8.887 1.00 1.00 C ATOM 615 CG PRO A 44 -13.428 7.662 8.509 1.00 1.00 C ATOM 616 CD PRO A 44 -13.577 8.735 9.576 1.00 1.00 C ATOM 0 HA PRO A 44 -15.777 6.473 10.494 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -13.814 5.549 8.775 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -15.210 6.463 8.241 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -12.391 7.332 8.442 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -13.701 8.056 7.530 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -12.613 8.997 10.012 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -13.998 9.651 9.161 1.00 1.00 H new ATOM 624 N TRP A 45 -14.708 5.082 12.087 1.00 1.00 N ATOM 625 CA TRP A 45 -14.108 4.196 13.069 1.00 1.00 C ATOM 626 C TRP A 45 -13.477 3.019 12.320 1.00 1.00 C ATOM 627 O TRP A 45 -12.357 2.613 12.625 1.00 1.00 O ATOM 628 CB TRP A 45 -15.136 3.758 14.114 1.00 1.00 C ATOM 629 CG TRP A 45 -15.991 4.902 14.662 1.00 1.00 C ATOM 630 CD1 TRP A 45 -15.783 6.220 14.539 1.00 1.00 C ATOM 631 CD2 TRP A 45 -17.205 4.775 15.431 1.00 1.00 C ATOM 632 NE1 TRP A 45 -16.771 6.949 15.169 1.00 1.00 N ATOM 633 CE2 TRP A 45 -17.663 6.042 15.730 1.00 1.00 C ATOM 634 CE3 TRP A 45 -17.895 3.627 15.862 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -18.828 6.282 16.469 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -19.057 3.884 16.599 1.00 1.00 C ATOM 637 CH2 TRP A 45 -19.531 5.154 16.908 1.00 1.00 C ATOM 0 H TRP A 45 -15.727 5.048 12.049 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.328 4.712 13.628 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -15.791 3.008 13.672 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -14.615 3.278 14.942 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -14.947 6.657 14.013 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -16.835 7.966 15.215 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.555 2.626 15.641 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -19.166 7.284 16.689 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -19.625 3.036 16.952 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -20.437 5.270 17.484 1.00 1.00 H new ATOM 648 N CYS A 46 -14.225 2.504 11.356 1.00 1.00 N ATOM 649 CA CYS A 46 -13.754 1.382 10.562 1.00 1.00 C ATOM 650 C CYS A 46 -12.940 1.933 9.388 1.00 1.00 C ATOM 651 O CYS A 46 -13.488 2.579 8.497 1.00 1.00 O ATOM 652 CB CYS A 46 -14.910 0.498 10.089 1.00 1.00 C ATOM 653 SG CYS A 46 -15.607 -0.605 11.372 1.00 1.00 S ATOM 0 H CYS A 46 -15.154 2.843 11.107 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.120 0.741 11.174 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -15.706 1.138 9.708 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -14.565 -0.112 9.254 1.00 1.00 H new ATOM 658 N PHE A 47 -11.644 1.656 9.427 1.00 1.00 N ATOM 659 CA PHE A 47 -10.750 2.116 8.379 1.00 1.00 C ATOM 660 C PHE A 47 -9.618 1.112 8.146 1.00 1.00 C ATOM 661 O PHE A 47 -9.581 0.056 8.774 1.00 1.00 O ATOM 662 CB PHE A 47 -10.150 3.441 8.851 1.00 1.00 C ATOM 663 CG PHE A 47 -9.654 3.420 10.297 1.00 1.00 C ATOM 664 CD1 PHE A 47 -8.792 2.450 10.706 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.074 4.370 11.175 1.00 1.00 C ATOM 666 CE1 PHE A 47 -8.331 2.430 12.049 1.00 1.00 C ATOM 667 CE2 PHE A 47 -9.612 4.351 12.518 1.00 1.00 C ATOM 668 CZ PHE A 47 -8.750 3.381 12.926 1.00 1.00 C ATOM 0 H PHE A 47 -11.193 1.119 10.168 1.00 1.00 H new ATOM 0 HA PHE A 47 -11.299 2.229 7.444 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -9.319 3.705 8.197 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -10.900 4.225 8.746 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -8.458 1.695 10.009 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -10.759 5.139 10.851 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -7.648 1.659 12.374 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -9.945 5.106 13.215 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.398 3.366 13.947 1.00 1.00 H new ATOM 678 N LYS A 48 -8.723 1.479 7.240 1.00 1.00 N ATOM 679 CA LYS A 48 -7.593 0.624 6.917 1.00 1.00 C ATOM 680 C LYS A 48 -6.455 0.894 7.904 1.00 1.00 C ATOM 681 O LYS A 48 -6.131 2.047 8.183 1.00 1.00 O ATOM 682 CB LYS A 48 -7.190 0.801 5.451 1.00 1.00 C ATOM 683 CG LYS A 48 -7.922 1.987 4.821 1.00 1.00 C ATOM 684 CD LYS A 48 -7.390 3.314 5.367 1.00 1.00 C ATOM 685 CE LYS A 48 -6.463 3.991 4.354 1.00 1.00 C ATOM 686 NZ LYS A 48 -5.526 4.907 5.042 1.00 1.00 N ATOM 0 H LYS A 48 -8.757 2.356 6.720 1.00 1.00 H new ATOM 0 HA LYS A 48 -7.866 -0.426 7.025 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -6.113 0.955 5.382 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -7.418 -0.109 4.895 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -7.800 1.960 3.738 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -8.990 1.909 5.023 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -8.224 3.976 5.601 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -6.851 3.139 6.298 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -5.903 3.236 3.802 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -7.054 4.546 3.625 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -4.904 5.358 4.341 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -6.065 5.638 5.549 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -4.950 4.369 5.720 1.00 1.00 H new ATOM 700 N PRO A 49 -5.866 -0.218 8.419 1.00 1.00 N ATOM 701 CA PRO A 49 -4.771 -0.113 9.370 1.00 1.00 C ATOM 702 C PRO A 49 -3.474 0.293 8.669 1.00 1.00 C ATOM 703 O PRO A 49 -3.471 0.563 7.469 1.00 1.00 O ATOM 704 CB PRO A 49 -4.690 -1.480 10.028 1.00 1.00 C ATOM 705 CG PRO A 49 -5.426 -2.434 9.101 1.00 1.00 C ATOM 706 CD PRO A 49 -6.224 -1.600 8.112 1.00 1.00 C ATOM 0 HA PRO A 49 -4.934 0.664 10.117 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -3.653 -1.788 10.162 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.148 -1.465 11.017 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -4.720 -3.077 8.576 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -6.087 -3.086 9.671 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.970 -1.856 7.083 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -7.295 -1.767 8.227 1.00 1.00 H new ATOM 714 N LEU A 50 -2.403 0.323 9.448 1.00 1.00 N ATOM 715 CA LEU A 50 -1.101 0.691 8.917 1.00 1.00 C ATOM 716 C LEU A 50 -0.046 -0.286 9.440 1.00 1.00 C ATOM 717 O LEU A 50 0.892 0.116 10.125 1.00 1.00 O ATOM 718 CB LEU A 50 -0.790 2.156 9.229 1.00 1.00 C ATOM 719 CG LEU A 50 -1.695 3.191 8.558 1.00 1.00 C ATOM 720 CD1 LEU A 50 -1.877 4.422 9.449 1.00 1.00 C ATOM 721 CD2 LEU A 50 -1.171 3.561 7.169 1.00 1.00 C ATOM 0 H LEU A 50 -2.410 0.099 10.443 1.00 1.00 H new ATOM 0 HA LEU A 50 -1.097 0.612 7.830 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -0.848 2.297 10.308 1.00 1.00 H new ATOM 0 HB3 LEU A 50 0.240 2.359 8.936 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.680 2.744 8.422 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -2.524 5.141 8.948 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -2.330 4.123 10.394 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -0.906 4.879 9.640 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.833 4.298 6.715 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -0.169 3.980 7.258 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.138 2.669 6.543 1.00 1.00 H new ATOM 733 N PRO A 51 -0.242 -1.586 9.089 1.00 1.00 N ATOM 734 CA PRO A 51 0.681 -2.623 9.516 1.00 1.00 C ATOM 735 C PRO A 51 1.980 -2.567 8.712 1.00 1.00 C ATOM 736 O PRO A 51 2.210 -1.618 7.962 1.00 1.00 O ATOM 737 CB PRO A 51 -0.079 -3.927 9.328 1.00 1.00 C ATOM 738 CG PRO A 51 -1.218 -3.611 8.372 1.00 1.00 C ATOM 739 CD PRO A 51 -1.344 -2.099 8.280 1.00 1.00 C ATOM 0 HA PRO A 51 0.995 -2.506 10.553 1.00 1.00 H new ATOM 0 HB2 PRO A 51 0.570 -4.702 8.920 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -0.459 -4.298 10.280 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -1.021 -4.038 7.389 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -2.149 -4.051 8.729 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -1.270 -1.757 7.248 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -2.307 -1.758 8.660 1.00 1.00 H new ATOM 747 N ALA A 52 2.798 -3.594 8.893 1.00 1.00 N ATOM 748 CA ALA A 52 4.068 -3.673 8.194 1.00 1.00 C ATOM 749 C ALA A 52 4.696 -5.045 8.438 1.00 1.00 C ATOM 750 O ALA A 52 4.006 -5.989 8.822 1.00 1.00 O ATOM 751 CB ALA A 52 4.974 -2.527 8.650 1.00 1.00 C ATOM 0 H ALA A 52 2.605 -4.379 9.515 1.00 1.00 H new ATOM 0 HA ALA A 52 3.921 -3.565 7.119 1.00 1.00 H new ATOM 0 HB1 ALA A 52 5.928 -2.586 8.125 1.00 1.00 H new ATOM 0 HB2 ALA A 52 4.495 -1.574 8.426 1.00 1.00 H new ATOM 0 HB3 ALA A 52 5.145 -2.604 9.724 1.00 1.00 H new ATOM 757 N GLN A 53 5.999 -5.115 8.206 1.00 1.00 N ATOM 758 CA GLN A 53 6.727 -6.358 8.396 1.00 1.00 C ATOM 759 C GLN A 53 6.059 -7.205 9.481 1.00 1.00 C ATOM 760 O GLN A 53 5.487 -6.667 10.428 1.00 1.00 O ATOM 761 CB GLN A 53 8.193 -6.086 8.737 1.00 1.00 C ATOM 762 CG GLN A 53 8.980 -5.675 7.491 1.00 1.00 C ATOM 763 CD GLN A 53 9.090 -6.838 6.503 1.00 1.00 C ATOM 764 OE1 GLN A 53 8.575 -6.798 5.398 1.00 1.00 O ATOM 765 NE2 GLN A 53 9.789 -7.872 6.961 1.00 1.00 N ATOM 0 H GLN A 53 6.569 -4.331 7.888 1.00 1.00 H new ATOM 0 HA GLN A 53 6.703 -6.918 7.461 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.255 -5.297 9.487 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.640 -6.979 9.175 1.00 1.00 H new ATOM 0 HG2 GLN A 53 8.489 -4.829 7.009 1.00 1.00 H new ATOM 0 HG3 GLN A 53 9.977 -5.343 7.780 1.00 1.00 H new ATOM 0 HE21 GLN A 53 10.194 -7.840 7.897 1.00 1.00 H new ATOM 0 HE22 GLN A 53 9.921 -8.698 6.377 1.00 1.00 H new ATOM 774 N GLU A 54 6.153 -8.514 9.306 1.00 1.00 N ATOM 775 CA GLU A 54 5.564 -9.441 10.259 1.00 1.00 C ATOM 776 C GLU A 54 6.201 -9.260 11.638 1.00 1.00 C ATOM 777 O GLU A 54 6.815 -10.184 12.168 1.00 1.00 O ATOM 778 CB GLU A 54 5.703 -10.885 9.776 1.00 1.00 C ATOM 779 CG GLU A 54 5.239 -11.026 8.324 1.00 1.00 C ATOM 780 CD GLU A 54 4.810 -12.463 8.022 1.00 1.00 C ATOM 781 OE1 GLU A 54 5.506 -13.377 8.512 1.00 1.00 O ATOM 782 OE2 GLU A 54 3.796 -12.614 7.308 1.00 1.00 O ATOM 0 H GLU A 54 6.628 -8.956 8.519 1.00 1.00 H new ATOM 0 HA GLU A 54 4.500 -9.221 10.340 1.00 1.00 H new ATOM 0 HB2 GLU A 54 6.742 -11.202 9.862 1.00 1.00 H new ATOM 0 HB3 GLU A 54 5.115 -11.544 10.415 1.00 1.00 H new ATOM 0 HG2 GLU A 54 4.407 -10.347 8.137 1.00 1.00 H new ATOM 0 HG3 GLU A 54 6.045 -10.734 7.651 1.00 1.00 H new ATOM 789 N SER A 55 6.035 -8.063 12.180 1.00 1.00 N ATOM 790 CA SER A 55 6.586 -7.749 13.487 1.00 1.00 C ATOM 791 C SER A 55 5.919 -6.492 14.048 1.00 1.00 C ATOM 792 O SER A 55 6.173 -5.385 13.573 1.00 1.00 O ATOM 793 CB SER A 55 8.102 -7.558 13.413 1.00 1.00 C ATOM 794 OG SER A 55 8.779 -8.773 13.104 1.00 1.00 O ATOM 0 H SER A 55 5.526 -7.298 11.737 1.00 1.00 H new ATOM 0 HA SER A 55 6.384 -8.587 14.154 1.00 1.00 H new ATOM 0 HB2 SER A 55 8.337 -6.810 12.656 1.00 1.00 H new ATOM 0 HB3 SER A 55 8.466 -7.173 14.365 1.00 1.00 H new ATOM 0 HG SER A 55 8.135 -9.512 13.089 1.00 1.00 H new ATOM 800 N GLU A 56 5.079 -6.703 15.051 1.00 1.00 N ATOM 801 CA GLU A 56 4.374 -5.600 15.681 1.00 1.00 C ATOM 802 C GLU A 56 5.371 -4.583 16.241 1.00 1.00 C ATOM 803 O GLU A 56 5.883 -4.753 17.347 1.00 1.00 O ATOM 804 CB GLU A 56 3.434 -6.105 16.777 1.00 1.00 C ATOM 805 CG GLU A 56 2.951 -4.953 17.660 1.00 1.00 C ATOM 806 CD GLU A 56 3.505 -5.082 19.081 1.00 1.00 C ATOM 807 OE1 GLU A 56 3.718 -6.239 19.504 1.00 1.00 O ATOM 808 OE2 GLU A 56 3.702 -4.021 19.712 1.00 1.00 O ATOM 0 H GLU A 56 4.871 -7.622 15.443 1.00 1.00 H new ATOM 0 HA GLU A 56 3.765 -5.105 14.925 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.577 -6.605 16.324 1.00 1.00 H new ATOM 0 HB3 GLU A 56 3.948 -6.846 17.389 1.00 1.00 H new ATOM 0 HG2 GLU A 56 3.265 -4.003 17.228 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.861 -4.945 17.690 1.00 1.00 H new ATOM 815 N GLU A 57 5.617 -3.548 15.452 1.00 1.00 N ATOM 816 CA GLU A 57 6.543 -2.503 15.855 1.00 1.00 C ATOM 817 C GLU A 57 6.789 -1.535 14.694 1.00 1.00 C ATOM 818 O GLU A 57 7.157 -0.382 14.912 1.00 1.00 O ATOM 819 CB GLU A 57 7.859 -3.101 16.356 1.00 1.00 C ATOM 820 CG GLU A 57 8.195 -4.393 15.609 1.00 1.00 C ATOM 821 CD GLU A 57 9.682 -4.730 15.739 1.00 1.00 C ATOM 822 OE1 GLU A 57 10.249 -4.397 16.801 1.00 1.00 O ATOM 823 OE2 GLU A 57 10.218 -5.314 14.772 1.00 1.00 O ATOM 0 H GLU A 57 5.191 -3.410 14.535 1.00 1.00 H new ATOM 0 HA GLU A 57 6.096 -1.947 16.679 1.00 1.00 H new ATOM 0 HB2 GLU A 57 8.665 -2.379 16.222 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.787 -3.303 17.425 1.00 1.00 H new ATOM 0 HG2 GLU A 57 7.596 -5.213 16.006 1.00 1.00 H new ATOM 0 HG3 GLU A 57 7.933 -4.287 14.556 1.00 1.00 H new ATOM 830 N CYS A 58 6.576 -2.040 13.489 1.00 1.00 N ATOM 831 CA CYS A 58 6.769 -1.235 12.294 1.00 1.00 C ATOM 832 C CYS A 58 5.528 -0.361 12.099 1.00 1.00 C ATOM 833 O CYS A 58 5.636 0.790 11.681 1.00 1.00 O ATOM 834 CB CYS A 58 7.056 -2.102 11.068 1.00 1.00 C ATOM 835 SG CYS A 58 8.500 -3.214 11.234 1.00 1.00 S ATOM 0 H CYS A 58 6.271 -2.997 13.313 1.00 1.00 H new ATOM 0 HA CYS A 58 7.645 -0.598 12.418 1.00 1.00 H new ATOM 0 HB2 CYS A 58 6.174 -2.705 10.853 1.00 1.00 H new ATOM 0 HB3 CYS A 58 7.214 -1.450 10.209 1.00 1.00 H new ATOM 840 N VAL A 59 4.379 -0.943 12.410 1.00 1.00 N ATOM 841 CA VAL A 59 3.120 -0.231 12.273 1.00 1.00 C ATOM 842 C VAL A 59 3.380 1.275 12.340 1.00 1.00 C ATOM 843 O VAL A 59 3.954 1.767 13.309 1.00 1.00 O ATOM 844 CB VAL A 59 2.128 -0.715 13.333 1.00 1.00 C ATOM 845 CG1 VAL A 59 0.688 -0.607 12.825 1.00 1.00 C ATOM 846 CG2 VAL A 59 2.449 -2.144 13.773 1.00 1.00 C ATOM 0 H VAL A 59 4.294 -1.899 12.756 1.00 1.00 H new ATOM 0 HA VAL A 59 2.667 -0.439 11.304 1.00 1.00 H new ATOM 0 HB VAL A 59 2.226 -0.067 14.204 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.003 -0.957 13.597 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.464 0.432 12.585 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.571 -1.219 11.931 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.729 -2.463 14.527 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.393 -2.811 12.913 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.454 -2.178 14.194 1.00 1.00 H new ATOM 856 N MET A 60 2.943 1.965 11.296 1.00 1.00 N ATOM 857 CA MET A 60 3.122 3.406 11.225 1.00 1.00 C ATOM 858 C MET A 60 2.543 3.966 9.925 1.00 1.00 C ATOM 859 O MET A 60 2.219 3.211 9.009 1.00 1.00 O ATOM 860 CB MET A 60 4.612 3.740 11.307 1.00 1.00 C ATOM 861 CG MET A 60 5.235 3.812 9.911 1.00 1.00 C ATOM 862 SD MET A 60 6.891 4.470 10.015 1.00 1.00 S ATOM 863 CE MET A 60 7.628 3.284 11.128 1.00 1.00 C ATOM 0 H MET A 60 2.466 1.554 10.494 1.00 1.00 H new ATOM 0 HA MET A 60 2.593 3.861 12.062 1.00 1.00 H new ATOM 0 HB2 MET A 60 4.747 4.693 11.819 1.00 1.00 H new ATOM 0 HB3 MET A 60 5.126 2.983 11.900 1.00 1.00 H new ATOM 0 HG2 MET A 60 5.257 2.819 9.462 1.00 1.00 H new ATOM 0 HG3 MET A 60 4.625 4.441 9.263 1.00 1.00 H new ATOM 0 HE1 MET A 60 8.714 3.344 11.057 1.00 1.00 H new ATOM 0 HE2 MET A 60 7.318 3.503 12.150 1.00 1.00 H new ATOM 0 HE3 MET A 60 7.302 2.280 10.857 1.00 1.00 H new ATOM 873 N GLN A 61 2.430 5.285 9.884 1.00 1.00 N ATOM 874 CA GLN A 61 1.896 5.956 8.710 1.00 1.00 C ATOM 875 C GLN A 61 3.006 6.199 7.687 1.00 1.00 C ATOM 876 O GLN A 61 4.188 6.078 8.007 1.00 1.00 O ATOM 877 CB GLN A 61 1.206 7.266 9.094 1.00 1.00 C ATOM 878 CG GLN A 61 0.338 7.085 10.340 1.00 1.00 C ATOM 879 CD GLN A 61 0.400 8.322 11.238 1.00 1.00 C ATOM 880 OE1 GLN A 61 0.518 9.447 10.780 1.00 1.00 O ATOM 881 NE2 GLN A 61 0.315 8.053 12.537 1.00 1.00 N ATOM 0 H GLN A 61 2.699 5.908 10.645 1.00 1.00 H new ATOM 0 HA GLN A 61 1.146 5.309 8.255 1.00 1.00 H new ATOM 0 HB2 GLN A 61 1.956 8.036 9.278 1.00 1.00 H new ATOM 0 HB3 GLN A 61 0.590 7.613 8.265 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.694 6.898 10.044 1.00 1.00 H new ATOM 0 HG3 GLN A 61 0.673 6.210 10.897 1.00 1.00 H new ATOM 0 HE21 GLN A 61 0.217 7.088 12.853 1.00 1.00 H new ATOM 0 HE22 GLN A 61 0.347 8.812 13.218 1.00 1.00 H new ATOM 890 N VAL A 62 2.588 6.540 6.476 1.00 1.00 N ATOM 891 CA VAL A 62 3.533 6.802 5.405 1.00 1.00 C ATOM 892 C VAL A 62 4.361 8.041 5.752 1.00 1.00 C ATOM 893 O VAL A 62 5.339 8.349 5.073 1.00 1.00 O ATOM 894 CB VAL A 62 2.790 6.933 4.073 1.00 1.00 C ATOM 895 CG1 VAL A 62 3.655 6.438 2.912 1.00 1.00 C ATOM 896 CG2 VAL A 62 1.454 6.191 4.116 1.00 1.00 C ATOM 0 H VAL A 62 1.607 6.641 6.214 1.00 1.00 H new ATOM 0 HA VAL A 62 4.227 5.968 5.295 1.00 1.00 H new ATOM 0 HB VAL A 62 2.581 7.990 3.908 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.104 6.542 1.977 1.00 1.00 H new ATOM 0 HG12 VAL A 62 4.569 7.029 2.862 1.00 1.00 H new ATOM 0 HG13 VAL A 62 3.909 5.390 3.069 1.00 1.00 H new ATOM 0 HG21 VAL A 62 0.946 6.300 3.158 1.00 1.00 H new ATOM 0 HG22 VAL A 62 1.631 5.134 4.315 1.00 1.00 H new ATOM 0 HG23 VAL A 62 0.831 6.609 4.906 1.00 1.00 H new ATOM 906 N SER A 63 3.937 8.720 6.808 1.00 1.00 N ATOM 907 CA SER A 63 4.626 9.918 7.253 1.00 1.00 C ATOM 908 C SER A 63 5.345 9.648 8.577 1.00 1.00 C ATOM 909 O SER A 63 6.014 10.528 9.117 1.00 1.00 O ATOM 910 CB SER A 63 3.653 11.089 7.408 1.00 1.00 C ATOM 911 OG SER A 63 3.348 11.697 6.156 1.00 1.00 O ATOM 0 H SER A 63 3.124 8.463 7.368 1.00 1.00 H new ATOM 0 HA SER A 63 5.361 10.189 6.496 1.00 1.00 H new ATOM 0 HB2 SER A 63 2.733 10.737 7.874 1.00 1.00 H new ATOM 0 HB3 SER A 63 4.085 11.833 8.077 1.00 1.00 H new ATOM 0 HG SER A 63 2.723 12.439 6.296 1.00 1.00 H new ATOM 917 N ALA A 64 5.183 8.426 9.063 1.00 1.00 N ATOM 918 CA ALA A 64 5.808 8.028 10.312 1.00 1.00 C ATOM 919 C ALA A 64 7.247 7.587 10.041 1.00 1.00 C ATOM 920 O ALA A 64 8.082 7.587 10.944 1.00 1.00 O ATOM 921 CB ALA A 64 4.975 6.927 10.972 1.00 1.00 C ATOM 0 H ALA A 64 4.627 7.698 8.614 1.00 1.00 H new ATOM 0 HA ALA A 64 5.847 8.868 11.006 1.00 1.00 H new ATOM 0 HB1 ALA A 64 5.444 6.628 11.909 1.00 1.00 H new ATOM 0 HB2 ALA A 64 3.971 7.301 11.172 1.00 1.00 H new ATOM 0 HB3 ALA A 64 4.916 6.067 10.306 1.00 1.00 H new ATOM 927 N ARG A 65 7.494 7.219 8.792 1.00 1.00 N ATOM 928 CA ARG A 65 8.818 6.776 8.390 1.00 1.00 C ATOM 929 C ARG A 65 9.771 7.970 8.295 1.00 1.00 C ATOM 930 O ARG A 65 9.331 9.117 8.244 1.00 1.00 O ATOM 931 CB ARG A 65 8.773 6.060 7.038 1.00 1.00 C ATOM 932 CG ARG A 65 7.865 6.803 6.055 1.00 1.00 C ATOM 933 CD ARG A 65 8.209 8.293 6.008 1.00 1.00 C ATOM 934 NE ARG A 65 7.720 8.887 4.745 1.00 1.00 N ATOM 935 CZ ARG A 65 7.436 10.186 4.586 1.00 1.00 C ATOM 936 NH1 ARG A 65 7.590 11.037 5.611 1.00 1.00 N ATOM 937 NH2 ARG A 65 6.997 10.637 3.402 1.00 1.00 N ATOM 0 H ARG A 65 6.799 7.219 8.045 1.00 1.00 H new ATOM 0 HA ARG A 65 9.178 6.078 9.146 1.00 1.00 H new ATOM 0 HB2 ARG A 65 9.780 5.989 6.626 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.411 5.041 7.174 1.00 1.00 H new ATOM 0 HG2 ARG A 65 7.970 6.371 5.060 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.823 6.676 6.350 1.00 1.00 H new ATOM 0 HD2 ARG A 65 7.759 8.805 6.858 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.288 8.428 6.089 1.00 1.00 H new ATOM 0 HE ARG A 65 7.591 8.268 3.944 1.00 1.00 H new ATOM 0 HH11 ARG A 65 7.924 10.695 6.512 1.00 1.00 H new ATOM 0 HH12 ARG A 65 7.374 12.026 5.489 1.00 1.00 H new ATOM 0 HH21 ARG A 65 6.879 9.991 2.622 1.00 1.00 H new ATOM 0 HH22 ARG A 65 6.781 11.627 3.282 1.00 1.00 H new ATOM 951 N LYS A 66 11.059 7.658 8.274 1.00 1.00 N ATOM 952 CA LYS A 66 12.078 8.690 8.187 1.00 1.00 C ATOM 953 C LYS A 66 13.239 8.183 7.330 1.00 1.00 C ATOM 954 O LYS A 66 14.317 8.775 7.326 1.00 1.00 O ATOM 955 CB LYS A 66 12.499 9.147 9.585 1.00 1.00 C ATOM 956 CG LYS A 66 11.606 8.521 10.659 1.00 1.00 C ATOM 957 CD LYS A 66 11.724 9.281 11.981 1.00 1.00 C ATOM 958 CE LYS A 66 10.945 10.597 11.929 1.00 1.00 C ATOM 959 NZ LYS A 66 11.768 11.707 12.457 1.00 1.00 N ATOM 0 H LYS A 66 11.420 6.705 8.316 1.00 1.00 H new ATOM 0 HA LYS A 66 11.681 9.577 7.694 1.00 1.00 H new ATOM 0 HB2 LYS A 66 13.538 8.870 9.764 1.00 1.00 H new ATOM 0 HB3 LYS A 66 12.443 10.234 9.648 1.00 1.00 H new ATOM 0 HG2 LYS A 66 10.569 8.527 10.323 1.00 1.00 H new ATOM 0 HG3 LYS A 66 11.887 7.478 10.808 1.00 1.00 H new ATOM 0 HD2 LYS A 66 11.346 8.663 12.795 1.00 1.00 H new ATOM 0 HD3 LYS A 66 12.773 9.484 12.196 1.00 1.00 H new ATOM 0 HE2 LYS A 66 10.650 10.812 10.902 1.00 1.00 H new ATOM 0 HE3 LYS A 66 10.028 10.507 12.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 11.225 12.593 12.415 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 12.028 11.507 13.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 12.631 11.802 11.884 1.00 1.00 H new ATOM 973 N ASN A 67 12.979 7.092 6.624 1.00 1.00 N ATOM 974 CA ASN A 67 13.989 6.498 5.764 1.00 1.00 C ATOM 975 C ASN A 67 15.202 6.103 6.609 1.00 1.00 C ATOM 976 O ASN A 67 15.757 6.929 7.332 1.00 1.00 O ATOM 977 CB ASN A 67 14.459 7.492 4.700 1.00 1.00 C ATOM 978 CG ASN A 67 14.851 6.768 3.410 1.00 1.00 C ATOM 979 OD1 ASN A 67 15.554 5.771 3.417 1.00 1.00 O ATOM 980 ND2 ASN A 67 14.360 7.324 2.307 1.00 1.00 N ATOM 0 H ASN A 67 12.083 6.604 6.630 1.00 1.00 H new ATOM 0 HA ASN A 67 13.549 5.628 5.276 1.00 1.00 H new ATOM 0 HB2 ASN A 67 13.666 8.210 4.492 1.00 1.00 H new ATOM 0 HB3 ASN A 67 15.311 8.058 5.077 1.00 1.00 H new ATOM 0 HD21 ASN A 67 14.565 6.916 1.395 1.00 1.00 H new ATOM 0 HD22 ASN A 67 13.778 8.159 2.372 1.00 1.00 H new ATOM 987 N CYS A 68 15.579 4.838 6.489 1.00 1.00 N ATOM 988 CA CYS A 68 16.716 4.323 7.233 1.00 1.00 C ATOM 989 C CYS A 68 17.675 3.658 6.243 1.00 1.00 C ATOM 990 O CYS A 68 18.888 3.846 6.326 1.00 1.00 O ATOM 991 CB CYS A 68 16.279 3.360 8.338 1.00 1.00 C ATOM 992 SG CYS A 68 17.548 2.140 8.840 1.00 1.00 S ATOM 0 H CYS A 68 15.117 4.155 5.888 1.00 1.00 H new ATOM 0 HA CYS A 68 17.226 5.143 7.738 1.00 1.00 H new ATOM 0 HB2 CYS A 68 15.988 3.941 9.213 1.00 1.00 H new ATOM 0 HB3 CYS A 68 15.392 2.823 8.003 1.00 1.00 H new ATOM 997 N GLY A 69 17.096 2.895 5.329 1.00 1.00 N ATOM 998 CA GLY A 69 17.885 2.202 4.324 1.00 1.00 C ATOM 999 C GLY A 69 17.868 2.958 2.995 1.00 1.00 C ATOM 1000 O GLY A 69 17.706 4.178 2.973 1.00 1.00 O ATOM 0 H GLY A 69 16.090 2.741 5.263 1.00 1.00 H new ATOM 0 HA2 GLY A 69 18.912 2.096 4.673 1.00 1.00 H new ATOM 0 HA3 GLY A 69 17.492 1.196 4.179 1.00 1.00 H new ATOM 1004 N TYR A 70 18.038 2.205 1.918 1.00 1.00 N ATOM 1005 CA TYR A 70 18.045 2.790 0.588 1.00 1.00 C ATOM 1006 C TYR A 70 17.114 2.022 -0.353 1.00 1.00 C ATOM 1007 O TYR A 70 16.632 0.943 -0.012 1.00 1.00 O ATOM 1008 CB TYR A 70 19.482 2.664 0.079 1.00 1.00 C ATOM 1009 CG TYR A 70 20.162 1.346 0.455 1.00 1.00 C ATOM 1010 CD1 TYR A 70 20.458 1.075 1.775 1.00 1.00 C ATOM 1011 CD2 TYR A 70 20.479 0.429 -0.526 1.00 1.00 C ATOM 1012 CE1 TYR A 70 21.099 -0.166 2.129 1.00 1.00 C ATOM 1013 CE2 TYR A 70 21.119 -0.811 -0.173 1.00 1.00 C ATOM 1014 CZ TYR A 70 21.397 -1.047 1.137 1.00 1.00 C ATOM 1015 OH TYR A 70 22.002 -2.219 1.472 1.00 1.00 O ATOM 0 H TYR A 70 18.172 1.194 1.940 1.00 1.00 H new ATOM 0 HA TYR A 70 17.703 3.824 0.622 1.00 1.00 H new ATOM 0 HB2 TYR A 70 19.482 2.764 -1.006 1.00 1.00 H new ATOM 0 HB3 TYR A 70 20.071 3.491 0.476 1.00 1.00 H new ATOM 0 HD1 TYR A 70 20.209 1.793 2.543 1.00 1.00 H new ATOM 0 HD2 TYR A 70 20.247 0.642 -1.559 1.00 1.00 H new ATOM 0 HE1 TYR A 70 21.337 -0.391 3.158 1.00 1.00 H new ATOM 0 HE2 TYR A 70 21.373 -1.537 -0.931 1.00 1.00 H new ATOM 0 HH TYR A 70 22.154 -2.751 0.663 1.00 1.00 H new ATOM 1025 N PRO A 71 16.883 2.625 -1.550 1.00 1.00 N ATOM 1026 CA PRO A 71 16.019 2.010 -2.543 1.00 1.00 C ATOM 1027 C PRO A 71 16.721 0.837 -3.231 1.00 1.00 C ATOM 1028 O PRO A 71 16.192 0.263 -4.181 1.00 1.00 O ATOM 1029 CB PRO A 71 15.661 3.134 -3.503 1.00 1.00 C ATOM 1030 CG PRO A 71 16.702 4.218 -3.281 1.00 1.00 C ATOM 1031 CD PRO A 71 17.435 3.903 -1.988 1.00 1.00 C ATOM 0 HA PRO A 71 15.120 1.575 -2.106 1.00 1.00 H new ATOM 0 HB2 PRO A 71 15.674 2.785 -4.536 1.00 1.00 H new ATOM 0 HB3 PRO A 71 14.657 3.510 -3.307 1.00 1.00 H new ATOM 0 HG2 PRO A 71 17.401 4.253 -4.117 1.00 1.00 H new ATOM 0 HG3 PRO A 71 16.227 5.197 -3.221 1.00 1.00 H new ATOM 0 HD2 PRO A 71 18.511 3.835 -2.149 1.00 1.00 H new ATOM 0 HD3 PRO A 71 17.273 4.681 -1.242 1.00 1.00 H new ATOM 1039 N GLY A 72 17.901 0.517 -2.722 1.00 1.00 N ATOM 1040 CA GLY A 72 18.682 -0.577 -3.276 1.00 1.00 C ATOM 1041 C GLY A 72 18.569 -1.828 -2.401 1.00 1.00 C ATOM 1042 O GLY A 72 18.573 -2.948 -2.910 1.00 1.00 O ATOM 0 H GLY A 72 18.336 0.995 -1.933 1.00 1.00 H new ATOM 0 HA2 GLY A 72 18.336 -0.802 -4.285 1.00 1.00 H new ATOM 0 HA3 GLY A 72 19.727 -0.278 -3.357 1.00 1.00 H new ATOM 1046 N ILE A 73 18.473 -1.595 -1.100 1.00 1.00 N ATOM 1047 CA ILE A 73 18.359 -2.689 -0.150 1.00 1.00 C ATOM 1048 C ILE A 73 17.176 -3.578 -0.541 1.00 1.00 C ATOM 1049 O ILE A 73 16.318 -3.167 -1.321 1.00 1.00 O ATOM 1050 CB ILE A 73 18.278 -2.150 1.280 1.00 1.00 C ATOM 1051 CG1 ILE A 73 18.656 -3.230 2.295 1.00 1.00 C ATOM 1052 CG2 ILE A 73 16.896 -1.555 1.563 1.00 1.00 C ATOM 1053 CD1 ILE A 73 18.932 -2.619 3.670 1.00 1.00 C ATOM 0 H ILE A 73 18.472 -0.665 -0.681 1.00 1.00 H new ATOM 0 HA ILE A 73 19.251 -3.315 -0.180 1.00 1.00 H new ATOM 0 HB ILE A 73 19.004 -1.343 1.384 1.00 1.00 H new ATOM 0 HG12 ILE A 73 17.850 -3.959 2.373 1.00 1.00 H new ATOM 0 HG13 ILE A 73 19.539 -3.767 1.948 1.00 1.00 H new ATOM 0 HG21 ILE A 73 16.864 -1.179 2.586 1.00 1.00 H new ATOM 0 HG22 ILE A 73 16.703 -0.737 0.869 1.00 1.00 H new ATOM 0 HG23 ILE A 73 16.135 -2.325 1.436 1.00 1.00 H new ATOM 0 HD11 ILE A 73 19.198 -3.409 4.372 1.00 1.00 H new ATOM 0 HD12 ILE A 73 19.755 -1.908 3.594 1.00 1.00 H new ATOM 0 HD13 ILE A 73 18.039 -2.104 4.025 1.00 1.00 H new ATOM 1065 N SER A 74 17.170 -4.778 0.018 1.00 1.00 N ATOM 1066 CA SER A 74 16.106 -5.728 -0.262 1.00 1.00 C ATOM 1067 C SER A 74 15.135 -5.789 0.919 1.00 1.00 C ATOM 1068 O SER A 74 15.304 -5.073 1.904 1.00 1.00 O ATOM 1069 CB SER A 74 16.674 -7.119 -0.554 1.00 1.00 C ATOM 1070 OG SER A 74 16.518 -8.003 0.552 1.00 1.00 O ATOM 0 H SER A 74 17.884 -5.115 0.663 1.00 1.00 H new ATOM 0 HA SER A 74 15.569 -5.390 -1.148 1.00 1.00 H new ATOM 0 HB2 SER A 74 16.174 -7.539 -1.427 1.00 1.00 H new ATOM 0 HB3 SER A 74 17.732 -7.034 -0.803 1.00 1.00 H new ATOM 0 HG SER A 74 16.586 -8.930 0.242 1.00 1.00 H new ATOM 1076 N PRO A 75 14.112 -6.675 0.776 1.00 1.00 N ATOM 1077 CA PRO A 75 13.114 -6.839 1.818 1.00 1.00 C ATOM 1078 C PRO A 75 13.679 -7.629 3.000 1.00 1.00 C ATOM 1079 O PRO A 75 13.667 -7.151 4.134 1.00 1.00 O ATOM 1080 CB PRO A 75 11.948 -7.539 1.139 1.00 1.00 C ATOM 1081 CG PRO A 75 12.514 -8.156 -0.130 1.00 1.00 C ATOM 1082 CD PRO A 75 13.881 -7.541 -0.377 1.00 1.00 C ATOM 0 HA PRO A 75 12.796 -5.889 2.248 1.00 1.00 H new ATOM 0 HB2 PRO A 75 11.520 -8.303 1.788 1.00 1.00 H new ATOM 0 HB3 PRO A 75 11.150 -6.834 0.908 1.00 1.00 H new ATOM 0 HG2 PRO A 75 12.595 -9.238 -0.025 1.00 1.00 H new ATOM 0 HG3 PRO A 75 11.852 -7.967 -0.975 1.00 1.00 H new ATOM 0 HD2 PRO A 75 14.652 -8.308 -0.457 1.00 1.00 H new ATOM 0 HD3 PRO A 75 13.898 -6.974 -1.308 1.00 1.00 H new ATOM 1090 N GLU A 76 14.163 -8.824 2.695 1.00 1.00 N ATOM 1091 CA GLU A 76 14.731 -9.685 3.718 1.00 1.00 C ATOM 1092 C GLU A 76 16.072 -9.126 4.196 1.00 1.00 C ATOM 1093 O GLU A 76 16.407 -9.228 5.376 1.00 1.00 O ATOM 1094 CB GLU A 76 14.887 -11.119 3.204 1.00 1.00 C ATOM 1095 CG GLU A 76 14.814 -12.123 4.355 1.00 1.00 C ATOM 1096 CD GLU A 76 15.758 -11.725 5.492 1.00 1.00 C ATOM 1097 OE1 GLU A 76 16.984 -11.764 5.251 1.00 1.00 O ATOM 1098 OE2 GLU A 76 15.232 -11.392 6.576 1.00 1.00 O ATOM 0 H GLU A 76 14.173 -9.216 1.754 1.00 1.00 H new ATOM 0 HA GLU A 76 14.046 -9.710 4.566 1.00 1.00 H new ATOM 0 HB2 GLU A 76 14.104 -11.336 2.477 1.00 1.00 H new ATOM 0 HB3 GLU A 76 15.841 -11.222 2.686 1.00 1.00 H new ATOM 0 HG2 GLU A 76 13.792 -12.179 4.729 1.00 1.00 H new ATOM 0 HG3 GLU A 76 15.075 -13.117 3.992 1.00 1.00 H new ATOM 1105 N ASP A 77 16.805 -8.546 3.256 1.00 1.00 N ATOM 1106 CA ASP A 77 18.103 -7.971 3.567 1.00 1.00 C ATOM 1107 C ASP A 77 17.915 -6.785 4.515 1.00 1.00 C ATOM 1108 O ASP A 77 18.593 -6.689 5.537 1.00 1.00 O ATOM 1109 CB ASP A 77 18.796 -7.460 2.302 1.00 1.00 C ATOM 1110 CG ASP A 77 19.139 -8.539 1.273 1.00 1.00 C ATOM 1111 OD1 ASP A 77 19.175 -9.721 1.680 1.00 1.00 O ATOM 1112 OD2 ASP A 77 19.358 -8.158 0.103 1.00 1.00 O ATOM 0 H ASP A 77 16.524 -8.462 2.279 1.00 1.00 H new ATOM 0 HA ASP A 77 18.716 -8.747 4.025 1.00 1.00 H new ATOM 0 HB2 ASP A 77 18.153 -6.718 1.828 1.00 1.00 H new ATOM 0 HB3 ASP A 77 19.714 -6.949 2.590 1.00 1.00 H new ATOM 1117 N CYS A 78 16.993 -5.910 4.141 1.00 1.00 N ATOM 1118 CA CYS A 78 16.708 -4.733 4.946 1.00 1.00 C ATOM 1119 C CYS A 78 16.410 -5.190 6.376 1.00 1.00 C ATOM 1120 O CYS A 78 17.131 -4.836 7.307 1.00 1.00 O ATOM 1121 CB CYS A 78 15.560 -3.910 4.358 1.00 1.00 C ATOM 1122 SG CYS A 78 15.130 -2.406 5.307 1.00 1.00 S ATOM 0 H CYS A 78 16.434 -5.992 3.292 1.00 1.00 H new ATOM 0 HA CYS A 78 17.575 -4.073 4.950 1.00 1.00 H new ATOM 0 HB2 CYS A 78 15.824 -3.618 3.342 1.00 1.00 H new ATOM 0 HB3 CYS A 78 14.676 -4.544 4.288 1.00 1.00 H new ATOM 1127 N ALA A 79 15.346 -5.969 6.504 1.00 1.00 N ATOM 1128 CA ALA A 79 14.943 -6.476 7.805 1.00 1.00 C ATOM 1129 C ALA A 79 16.118 -7.221 8.443 1.00 1.00 C ATOM 1130 O ALA A 79 16.404 -7.040 9.625 1.00 1.00 O ATOM 1131 CB ALA A 79 13.707 -7.365 7.646 1.00 1.00 C ATOM 0 H ALA A 79 14.751 -6.261 5.729 1.00 1.00 H new ATOM 0 HA ALA A 79 14.672 -5.656 8.470 1.00 1.00 H new ATOM 0 HB1 ALA A 79 13.405 -7.745 8.622 1.00 1.00 H new ATOM 0 HB2 ALA A 79 12.893 -6.782 7.215 1.00 1.00 H new ATOM 0 HB3 ALA A 79 13.942 -8.201 6.988 1.00 1.00 H new ATOM 1137 N ALA A 80 16.766 -8.043 7.631 1.00 1.00 N ATOM 1138 CA ALA A 80 17.904 -8.816 8.101 1.00 1.00 C ATOM 1139 C ALA A 80 19.130 -7.906 8.192 1.00 1.00 C ATOM 1140 O ALA A 80 20.209 -8.349 8.582 1.00 1.00 O ATOM 1141 CB ALA A 80 18.131 -10.009 7.171 1.00 1.00 C ATOM 0 H ALA A 80 16.525 -8.191 6.651 1.00 1.00 H new ATOM 0 HA ALA A 80 17.713 -9.213 9.098 1.00 1.00 H new ATOM 0 HB1 ALA A 80 18.984 -10.588 7.524 1.00 1.00 H new ATOM 0 HB2 ALA A 80 17.242 -10.640 7.165 1.00 1.00 H new ATOM 0 HB3 ALA A 80 18.329 -9.650 6.161 1.00 1.00 H new ATOM 1147 N ARG A 81 18.924 -6.650 7.825 1.00 1.00 N ATOM 1148 CA ARG A 81 20.000 -5.674 7.860 1.00 1.00 C ATOM 1149 C ARG A 81 19.867 -4.780 9.095 1.00 1.00 C ATOM 1150 O ARG A 81 20.816 -4.630 9.861 1.00 1.00 O ATOM 1151 CB ARG A 81 19.992 -4.800 6.604 1.00 1.00 C ATOM 1152 CG ARG A 81 20.845 -5.423 5.497 1.00 1.00 C ATOM 1153 CD ARG A 81 22.260 -4.840 5.502 1.00 1.00 C ATOM 1154 NE ARG A 81 22.906 -5.070 4.189 1.00 1.00 N ATOM 1155 CZ ARG A 81 23.334 -6.265 3.763 1.00 1.00 C ATOM 1156 NH1 ARG A 81 23.188 -7.347 4.540 1.00 1.00 N ATOM 1157 NH2 ARG A 81 23.909 -6.380 2.558 1.00 1.00 N ATOM 0 H ARG A 81 18.028 -6.285 7.502 1.00 1.00 H new ATOM 0 HA ARG A 81 20.942 -6.221 7.903 1.00 1.00 H new ATOM 0 HB2 ARG A 81 18.968 -4.673 6.251 1.00 1.00 H new ATOM 0 HB3 ARG A 81 20.371 -3.807 6.845 1.00 1.00 H new ATOM 0 HG2 ARG A 81 20.892 -6.503 5.634 1.00 1.00 H new ATOM 0 HG3 ARG A 81 20.378 -5.244 4.529 1.00 1.00 H new ATOM 0 HD2 ARG A 81 22.222 -3.772 5.716 1.00 1.00 H new ATOM 0 HD3 ARG A 81 22.850 -5.302 6.293 1.00 1.00 H new ATOM 0 HE ARG A 81 23.033 -4.268 3.571 1.00 1.00 H new ATOM 0 HH11 ARG A 81 22.750 -7.261 5.457 1.00 1.00 H new ATOM 0 HH12 ARG A 81 23.515 -8.257 4.214 1.00 1.00 H new ATOM 0 HH21 ARG A 81 24.021 -5.557 1.966 1.00 1.00 H new ATOM 0 HH22 ARG A 81 24.235 -7.290 2.233 1.00 1.00 H new ATOM 1171 N ASN A 82 18.679 -4.212 9.249 1.00 1.00 N ATOM 1172 CA ASN A 82 18.410 -3.339 10.378 1.00 1.00 C ATOM 1173 C ASN A 82 17.395 -2.272 9.961 1.00 1.00 C ATOM 1174 O ASN A 82 17.691 -1.423 9.122 1.00 1.00 O ATOM 1175 CB ASN A 82 19.682 -2.626 10.840 1.00 1.00 C ATOM 1176 CG ASN A 82 20.255 -3.284 12.097 1.00 1.00 C ATOM 1177 OD1 ASN A 82 20.058 -4.598 12.157 1.00 1.00 O flip ATOM 1178 ND2 ASN A 82 20.836 -2.641 12.956 1.00 1.00 N flip ATOM 0 H ASN A 82 17.893 -4.340 8.611 1.00 1.00 H new ATOM 0 HA ASN A 82 18.025 -3.952 11.193 1.00 1.00 H new ATOM 0 HB2 ASN A 82 20.425 -2.648 10.043 1.00 1.00 H new ATOM 0 HB3 ASN A 82 19.462 -1.578 11.042 1.00 1.00 H new ATOM 0 HD21 ASN A 82 20.953 -1.634 12.847 1.00 1.00 H new ATOM 0 HD22 ASN A 82 21.205 -3.111 13.783 1.00 1.00 H new ATOM 1185 N CYS A 83 16.220 -2.350 10.567 1.00 1.00 N ATOM 1186 CA CYS A 83 15.160 -1.403 10.268 1.00 1.00 C ATOM 1187 C CYS A 83 13.971 -2.175 9.693 1.00 1.00 C ATOM 1188 O CYS A 83 14.111 -3.333 9.298 1.00 1.00 O ATOM 1189 CB CYS A 83 15.636 -0.300 9.320 1.00 1.00 C ATOM 1190 SG CYS A 83 16.842 0.868 10.046 1.00 1.00 S ATOM 0 H CYS A 83 15.979 -3.055 11.264 1.00 1.00 H new ATOM 0 HA CYS A 83 14.854 -0.897 11.184 1.00 1.00 H new ATOM 0 HB2 CYS A 83 16.084 -0.764 8.442 1.00 1.00 H new ATOM 0 HB3 CYS A 83 14.768 0.263 8.975 1.00 1.00 H new ATOM 1195 N CYS A 84 12.828 -1.507 9.665 1.00 1.00 N ATOM 1196 CA CYS A 84 11.616 -2.117 9.144 1.00 1.00 C ATOM 1197 C CYS A 84 11.634 -1.994 7.619 1.00 1.00 C ATOM 1198 O CYS A 84 12.391 -1.198 7.065 1.00 1.00 O ATOM 1199 CB CYS A 84 10.361 -1.488 9.752 1.00 1.00 C ATOM 1200 SG CYS A 84 10.125 -1.816 11.537 1.00 1.00 S ATOM 0 H CYS A 84 12.715 -0.548 9.995 1.00 1.00 H new ATOM 0 HA CYS A 84 11.587 -3.170 9.422 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.401 -0.410 9.597 1.00 1.00 H new ATOM 0 HB3 CYS A 84 9.489 -1.856 9.211 1.00 1.00 H new ATOM 1205 N PHE A 85 10.791 -2.795 6.984 1.00 1.00 N ATOM 1206 CA PHE A 85 10.700 -2.787 5.534 1.00 1.00 C ATOM 1207 C PHE A 85 9.255 -2.984 5.074 1.00 1.00 C ATOM 1208 O PHE A 85 8.787 -4.115 4.949 1.00 1.00 O ATOM 1209 CB PHE A 85 11.547 -3.956 5.027 1.00 1.00 C ATOM 1210 CG PHE A 85 11.644 -4.039 3.501 1.00 1.00 C ATOM 1211 CD1 PHE A 85 10.628 -4.589 2.784 1.00 1.00 C ATOM 1212 CD2 PHE A 85 12.746 -3.561 2.863 1.00 1.00 C ATOM 1213 CE1 PHE A 85 10.719 -4.666 1.370 1.00 1.00 C ATOM 1214 CE2 PHE A 85 12.836 -3.637 1.448 1.00 1.00 C ATOM 1215 CZ PHE A 85 11.821 -4.188 0.731 1.00 1.00 C ATOM 0 H PHE A 85 10.165 -3.454 7.447 1.00 1.00 H new ATOM 0 HA PHE A 85 11.050 -1.831 5.145 1.00 1.00 H new ATOM 0 HB2 PHE A 85 12.552 -3.869 5.441 1.00 1.00 H new ATOM 0 HB3 PHE A 85 11.126 -4.887 5.405 1.00 1.00 H new ATOM 0 HD1 PHE A 85 9.752 -4.967 3.290 1.00 1.00 H new ATOM 0 HD2 PHE A 85 13.553 -3.124 3.433 1.00 1.00 H new ATOM 0 HE1 PHE A 85 9.913 -5.104 0.801 1.00 1.00 H new ATOM 0 HE2 PHE A 85 13.711 -3.257 0.941 1.00 1.00 H new ATOM 0 HZ PHE A 85 11.889 -4.246 -0.345 1.00 1.00 H new ATOM 1225 N SER A 86 8.587 -1.866 4.834 1.00 1.00 N ATOM 1226 CA SER A 86 7.203 -1.900 4.391 1.00 1.00 C ATOM 1227 C SER A 86 7.054 -1.126 3.080 1.00 1.00 C ATOM 1228 O SER A 86 6.887 0.093 3.089 1.00 1.00 O ATOM 1229 CB SER A 86 6.268 -1.324 5.456 1.00 1.00 C ATOM 1230 OG SER A 86 4.901 -1.401 5.064 1.00 1.00 O ATOM 0 H SER A 86 8.978 -0.930 4.938 1.00 1.00 H new ATOM 0 HA SER A 86 6.923 -2.940 4.226 1.00 1.00 H new ATOM 0 HB2 SER A 86 6.408 -1.865 6.392 1.00 1.00 H new ATOM 0 HB3 SER A 86 6.533 -0.284 5.646 1.00 1.00 H new ATOM 0 HG SER A 86 4.336 -1.025 5.771 1.00 1.00 H new ATOM 1236 N ASP A 87 7.121 -1.866 1.983 1.00 1.00 N ATOM 1237 CA ASP A 87 6.996 -1.265 0.665 1.00 1.00 C ATOM 1238 C ASP A 87 5.514 -1.118 0.315 1.00 1.00 C ATOM 1239 O ASP A 87 5.171 -0.562 -0.727 1.00 1.00 O ATOM 1240 CB ASP A 87 7.650 -2.140 -0.405 1.00 1.00 C ATOM 1241 CG ASP A 87 6.793 -3.307 -0.899 1.00 1.00 C ATOM 1242 OD1 ASP A 87 5.995 -3.811 -0.080 1.00 1.00 O ATOM 1243 OD2 ASP A 87 6.955 -3.668 -2.085 1.00 1.00 O ATOM 0 H ASP A 87 7.260 -2.876 1.979 1.00 1.00 H new ATOM 0 HA ASP A 87 7.492 -0.295 0.689 1.00 1.00 H new ATOM 0 HB2 ASP A 87 7.909 -1.512 -1.258 1.00 1.00 H new ATOM 0 HB3 ASP A 87 8.584 -2.538 -0.007 1.00 1.00 H new ATOM 1248 N THR A 88 4.675 -1.626 1.206 1.00 1.00 N ATOM 1249 CA THR A 88 3.238 -1.559 1.005 1.00 1.00 C ATOM 1250 C THR A 88 2.865 -0.286 0.241 1.00 1.00 C ATOM 1251 O THR A 88 1.959 -0.299 -0.590 1.00 1.00 O ATOM 1252 CB THR A 88 2.563 -1.667 2.373 1.00 1.00 C ATOM 1253 OG1 THR A 88 1.169 -1.597 2.079 1.00 1.00 O ATOM 1254 CG2 THR A 88 2.820 -0.440 3.251 1.00 1.00 C ATOM 0 H THR A 88 4.964 -2.086 2.069 1.00 1.00 H new ATOM 0 HA THR A 88 2.886 -2.386 0.388 1.00 1.00 H new ATOM 0 HB THR A 88 2.920 -2.561 2.884 1.00 1.00 H new ATOM 0 HG1 THR A 88 0.656 -1.661 2.911 1.00 1.00 H new ATOM 0 HG21 THR A 88 2.319 -0.568 4.210 1.00 1.00 H new ATOM 0 HG22 THR A 88 3.892 -0.327 3.414 1.00 1.00 H new ATOM 0 HG23 THR A 88 2.433 0.450 2.755 1.00 1.00 H new ATOM 1262 N ILE A 89 3.584 0.783 0.551 1.00 1.00 N ATOM 1263 CA ILE A 89 3.341 2.062 -0.094 1.00 1.00 C ATOM 1264 C ILE A 89 4.577 2.464 -0.902 1.00 1.00 C ATOM 1265 O ILE A 89 5.594 2.856 -0.333 1.00 1.00 O ATOM 1266 CB ILE A 89 2.911 3.109 0.936 1.00 1.00 C ATOM 1267 CG1 ILE A 89 1.405 3.037 1.195 1.00 1.00 C ATOM 1268 CG2 ILE A 89 3.353 4.510 0.508 1.00 1.00 C ATOM 1269 CD1 ILE A 89 1.116 2.500 2.599 1.00 1.00 C ATOM 0 H ILE A 89 4.335 0.789 1.241 1.00 1.00 H new ATOM 0 HA ILE A 89 2.512 1.983 -0.798 1.00 1.00 H new ATOM 0 HB ILE A 89 3.410 2.887 1.879 1.00 1.00 H new ATOM 0 HG12 ILE A 89 0.965 4.028 1.083 1.00 1.00 H new ATOM 0 HG13 ILE A 89 0.935 2.394 0.451 1.00 1.00 H new ATOM 0 HG21 ILE A 89 3.036 5.236 1.256 1.00 1.00 H new ATOM 0 HG22 ILE A 89 4.439 4.536 0.414 1.00 1.00 H new ATOM 0 HG23 ILE A 89 2.900 4.757 -0.452 1.00 1.00 H new ATOM 0 HD11 ILE A 89 0.038 2.459 2.758 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.536 1.499 2.699 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.567 3.159 3.341 1.00 1.00 H new ATOM 1281 N PRO A 90 4.444 2.350 -2.250 1.00 1.00 N ATOM 1282 CA PRO A 90 5.538 2.697 -3.142 1.00 1.00 C ATOM 1283 C PRO A 90 5.695 4.216 -3.252 1.00 1.00 C ATOM 1284 O PRO A 90 4.706 4.945 -3.281 1.00 1.00 O ATOM 1285 CB PRO A 90 5.189 2.039 -4.467 1.00 1.00 C ATOM 1286 CG PRO A 90 3.700 1.742 -4.405 1.00 1.00 C ATOM 1287 CD PRO A 90 3.254 1.889 -2.960 1.00 1.00 C ATOM 0 HA PRO A 90 6.504 2.345 -2.780 1.00 1.00 H new ATOM 0 HB2 PRO A 90 5.421 2.698 -5.304 1.00 1.00 H new ATOM 0 HB3 PRO A 90 5.764 1.124 -4.612 1.00 1.00 H new ATOM 0 HG2 PRO A 90 3.147 2.428 -5.047 1.00 1.00 H new ATOM 0 HG3 PRO A 90 3.497 0.734 -4.766 1.00 1.00 H new ATOM 0 HD2 PRO A 90 2.436 2.604 -2.869 1.00 1.00 H new ATOM 0 HD3 PRO A 90 2.895 0.942 -2.558 1.00 1.00 H new ATOM 1295 N GLU A 91 6.947 4.646 -3.307 1.00 1.00 N ATOM 1296 CA GLU A 91 7.247 6.063 -3.412 1.00 1.00 C ATOM 1297 C GLU A 91 7.523 6.651 -2.027 1.00 1.00 C ATOM 1298 O GLU A 91 7.336 7.848 -1.809 1.00 1.00 O ATOM 1299 CB GLU A 91 6.111 6.814 -4.111 1.00 1.00 C ATOM 1300 CG GLU A 91 5.101 7.349 -3.094 1.00 1.00 C ATOM 1301 CD GLU A 91 5.269 8.858 -2.897 1.00 1.00 C ATOM 1302 OE1 GLU A 91 6.276 9.388 -3.411 1.00 1.00 O ATOM 1303 OE2 GLU A 91 4.385 9.445 -2.236 1.00 1.00 O ATOM 0 H GLU A 91 7.765 4.038 -3.281 1.00 1.00 H new ATOM 0 HA GLU A 91 8.144 6.181 -4.020 1.00 1.00 H new ATOM 0 HB2 GLU A 91 6.520 7.640 -4.692 1.00 1.00 H new ATOM 0 HB3 GLU A 91 5.608 6.149 -4.813 1.00 1.00 H new ATOM 0 HG2 GLU A 91 4.088 7.133 -3.434 1.00 1.00 H new ATOM 0 HG3 GLU A 91 5.233 6.837 -2.141 1.00 1.00 H new ATOM 1310 N VAL A 92 7.962 5.784 -1.128 1.00 1.00 N ATOM 1311 CA VAL A 92 8.266 6.202 0.230 1.00 1.00 C ATOM 1312 C VAL A 92 9.391 5.329 0.790 1.00 1.00 C ATOM 1313 O VAL A 92 9.800 4.357 0.156 1.00 1.00 O ATOM 1314 CB VAL A 92 6.998 6.164 1.085 1.00 1.00 C ATOM 1315 CG1 VAL A 92 5.764 6.520 0.253 1.00 1.00 C ATOM 1316 CG2 VAL A 92 6.831 4.800 1.757 1.00 1.00 C ATOM 0 H VAL A 92 8.115 4.793 -1.313 1.00 1.00 H new ATOM 0 HA VAL A 92 8.620 7.233 0.241 1.00 1.00 H new ATOM 0 HB VAL A 92 7.101 6.914 1.869 1.00 1.00 H new ATOM 0 HG11 VAL A 92 4.877 6.485 0.885 1.00 1.00 H new ATOM 0 HG12 VAL A 92 5.879 7.523 -0.157 1.00 1.00 H new ATOM 0 HG13 VAL A 92 5.656 5.805 -0.563 1.00 1.00 H new ATOM 0 HG21 VAL A 92 5.922 4.800 2.359 1.00 1.00 H new ATOM 0 HG22 VAL A 92 6.761 4.025 0.994 1.00 1.00 H new ATOM 0 HG23 VAL A 92 7.690 4.602 2.398 1.00 1.00 H new ATOM 1326 N PRO A 93 9.871 5.716 2.001 1.00 1.00 N ATOM 1327 CA PRO A 93 10.940 4.979 2.653 1.00 1.00 C ATOM 1328 C PRO A 93 10.422 3.664 3.239 1.00 1.00 C ATOM 1329 O PRO A 93 9.807 3.655 4.304 1.00 1.00 O ATOM 1330 CB PRO A 93 11.484 5.927 3.709 1.00 1.00 C ATOM 1331 CG PRO A 93 10.405 6.976 3.924 1.00 1.00 C ATOM 1332 CD PRO A 93 9.409 6.861 2.781 1.00 1.00 C ATOM 0 HA PRO A 93 11.728 4.680 1.961 1.00 1.00 H new ATOM 0 HB2 PRO A 93 11.702 5.396 4.635 1.00 1.00 H new ATOM 0 HB3 PRO A 93 12.415 6.387 3.378 1.00 1.00 H new ATOM 0 HG2 PRO A 93 9.907 6.821 4.881 1.00 1.00 H new ATOM 0 HG3 PRO A 93 10.843 7.974 3.950 1.00 1.00 H new ATOM 0 HD2 PRO A 93 8.396 6.705 3.152 1.00 1.00 H new ATOM 0 HD3 PRO A 93 9.391 7.769 2.179 1.00 1.00 H new ATOM 1340 N TRP A 94 10.689 2.586 2.519 1.00 1.00 N ATOM 1341 CA TRP A 94 10.257 1.269 2.953 1.00 1.00 C ATOM 1342 C TRP A 94 11.099 0.872 4.168 1.00 1.00 C ATOM 1343 O TRP A 94 10.581 0.306 5.129 1.00 1.00 O ATOM 1344 CB TRP A 94 10.345 0.257 1.810 1.00 1.00 C ATOM 1345 CG TRP A 94 9.591 0.678 0.546 1.00 1.00 C ATOM 1346 CD1 TRP A 94 8.717 1.685 0.405 1.00 1.00 C ATOM 1347 CD2 TRP A 94 9.680 0.061 -0.754 1.00 1.00 C ATOM 1348 NE1 TRP A 94 8.238 1.759 -0.887 1.00 1.00 N ATOM 1349 CE2 TRP A 94 8.843 0.741 -1.615 1.00 1.00 C ATOM 1350 CE3 TRP A 94 10.442 -1.037 -1.190 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 8.689 0.400 -2.964 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 10.277 -1.366 -2.541 1.00 1.00 C ATOM 1353 CH2 TRP A 94 9.438 -0.691 -3.420 1.00 1.00 C ATOM 0 H TRP A 94 11.200 2.597 1.636 1.00 1.00 H new ATOM 0 HA TRP A 94 9.207 1.286 3.246 1.00 1.00 H new ATOM 0 HB2 TRP A 94 11.394 0.098 1.559 1.00 1.00 H new ATOM 0 HB3 TRP A 94 9.951 -0.699 2.154 1.00 1.00 H new ATOM 0 HD1 TRP A 94 8.425 2.353 1.202 1.00 1.00 H new ATOM 0 HE1 TRP A 94 7.564 2.437 -1.243 1.00 1.00 H new ATOM 0 HE3 TRP A 94 11.103 -1.584 -0.534 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 8.028 0.949 -3.618 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 10.841 -2.202 -2.927 1.00 1.00 H new ATOM 0 HH2 TRP A 94 9.364 -1.007 -4.450 1.00 1.00 H new ATOM 1364 N CYS A 95 12.384 1.186 4.085 1.00 1.00 N ATOM 1365 CA CYS A 95 13.303 0.870 5.165 1.00 1.00 C ATOM 1366 C CYS A 95 13.304 2.039 6.152 1.00 1.00 C ATOM 1367 O CYS A 95 14.040 3.008 5.970 1.00 1.00 O ATOM 1368 CB CYS A 95 14.708 0.563 4.641 1.00 1.00 C ATOM 1369 SG CYS A 95 14.840 -0.970 3.651 1.00 1.00 S ATOM 0 H CYS A 95 12.810 1.656 3.286 1.00 1.00 H new ATOM 0 HA CYS A 95 12.972 -0.034 5.675 1.00 1.00 H new ATOM 0 HB2 CYS A 95 15.045 1.402 4.032 1.00 1.00 H new ATOM 0 HB3 CYS A 95 15.389 0.491 5.489 1.00 1.00 H new ATOM 1374 N PHE A 96 12.473 1.909 7.176 1.00 1.00 N ATOM 1375 CA PHE A 96 12.370 2.943 8.191 1.00 1.00 C ATOM 1376 C PHE A 96 12.750 2.397 9.569 1.00 1.00 C ATOM 1377 O PHE A 96 12.854 1.185 9.755 1.00 1.00 O ATOM 1378 CB PHE A 96 10.909 3.395 8.221 1.00 1.00 C ATOM 1379 CG PHE A 96 9.902 2.246 8.301 1.00 1.00 C ATOM 1380 CD1 PHE A 96 9.433 1.673 7.160 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.476 1.799 9.513 1.00 1.00 C ATOM 1382 CE1 PHE A 96 8.499 0.605 7.235 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.543 0.732 9.587 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.073 0.158 8.446 1.00 1.00 C ATOM 0 H PHE A 96 11.865 1.103 7.324 1.00 1.00 H new ATOM 0 HA PHE A 96 13.046 3.765 7.956 1.00 1.00 H new ATOM 0 HB2 PHE A 96 10.761 4.054 9.077 1.00 1.00 H new ATOM 0 HB3 PHE A 96 10.703 3.983 7.327 1.00 1.00 H new ATOM 0 HD1 PHE A 96 9.770 2.030 6.198 1.00 1.00 H new ATOM 0 HD2 PHE A 96 9.847 2.256 10.418 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.127 0.148 6.330 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.206 0.375 10.549 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.362 -0.653 8.503 1.00 1.00 H new ATOM 1394 N PHE A 97 12.948 3.318 10.501 1.00 1.00 N ATOM 1395 CA PHE A 97 13.315 2.945 11.856 1.00 1.00 C ATOM 1396 C PHE A 97 12.081 2.545 12.669 1.00 1.00 C ATOM 1397 O PHE A 97 11.013 3.136 12.512 1.00 1.00 O ATOM 1398 CB PHE A 97 13.958 4.175 12.501 1.00 1.00 C ATOM 1399 CG PHE A 97 14.919 4.929 11.579 1.00 1.00 C ATOM 1400 CD1 PHE A 97 16.238 4.597 11.553 1.00 1.00 C ATOM 1401 CD2 PHE A 97 14.454 5.932 10.786 1.00 1.00 C ATOM 1402 CE1 PHE A 97 17.129 5.298 10.697 1.00 1.00 C ATOM 1403 CE2 PHE A 97 15.344 6.632 9.931 1.00 1.00 C ATOM 1404 CZ PHE A 97 16.664 6.300 9.905 1.00 1.00 C ATOM 0 H PHE A 97 12.861 4.322 10.344 1.00 1.00 H new ATOM 0 HA PHE A 97 13.995 2.094 11.835 1.00 1.00 H new ATOM 0 HB2 PHE A 97 13.171 4.856 12.825 1.00 1.00 H new ATOM 0 HB3 PHE A 97 14.498 3.864 13.395 1.00 1.00 H new ATOM 0 HD1 PHE A 97 16.607 3.801 12.183 1.00 1.00 H new ATOM 0 HD2 PHE A 97 13.407 6.195 10.807 1.00 1.00 H new ATOM 0 HE1 PHE A 97 18.176 5.035 10.676 1.00 1.00 H new ATOM 0 HE2 PHE A 97 14.974 7.428 9.301 1.00 1.00 H new ATOM 0 HZ PHE A 97 17.342 6.833 9.255 1.00 1.00 H new ATOM 1414 N PRO A 98 12.274 1.520 13.540 1.00 1.00 N ATOM 1415 CA PRO A 98 11.189 1.034 14.376 1.00 1.00 C ATOM 1416 C PRO A 98 10.907 2.004 15.526 1.00 1.00 C ATOM 1417 O PRO A 98 11.683 2.087 16.477 1.00 1.00 O ATOM 1418 CB PRO A 98 11.643 -0.335 14.853 1.00 1.00 C ATOM 1419 CG PRO A 98 13.149 -0.371 14.649 1.00 1.00 C ATOM 1420 CD PRO A 98 13.525 0.798 13.752 1.00 1.00 C ATOM 0 HA PRO A 98 10.244 0.961 13.838 1.00 1.00 H new ATOM 0 HB2 PRO A 98 11.387 -0.487 15.902 1.00 1.00 H new ATOM 0 HB3 PRO A 98 11.153 -1.128 14.287 1.00 1.00 H new ATOM 0 HG2 PRO A 98 13.666 -0.300 15.606 1.00 1.00 H new ATOM 0 HG3 PRO A 98 13.450 -1.314 14.193 1.00 1.00 H new ATOM 0 HD2 PRO A 98 14.274 1.434 14.224 1.00 1.00 H new ATOM 0 HD3 PRO A 98 13.948 0.453 12.808 1.00 1.00 H new ATOM 1428 N MET A 99 9.795 2.712 15.401 1.00 1.00 N ATOM 1429 CA MET A 99 9.401 3.673 16.417 1.00 1.00 C ATOM 1430 C MET A 99 9.113 2.977 17.748 1.00 1.00 C ATOM 1431 O MET A 99 10.027 2.728 18.533 1.00 1.00 O ATOM 1432 CB MET A 99 8.151 4.424 15.953 1.00 1.00 C ATOM 1433 CG MET A 99 8.528 5.683 15.168 1.00 1.00 C ATOM 1434 SD MET A 99 9.189 6.917 16.275 1.00 1.00 S ATOM 1435 CE MET A 99 8.813 8.397 15.350 1.00 1.00 C ATOM 0 H MET A 99 9.154 2.640 14.611 1.00 1.00 H new ATOM 0 HA MET A 99 10.223 4.374 16.565 1.00 1.00 H new ATOM 0 HB2 MET A 99 7.541 3.771 15.329 1.00 1.00 H new ATOM 0 HB3 MET A 99 7.545 4.697 16.817 1.00 1.00 H new ATOM 0 HG2 MET A 99 9.264 5.438 14.403 1.00 1.00 H new ATOM 0 HG3 MET A 99 7.652 6.077 14.653 1.00 1.00 H new ATOM 0 HE1 MET A 99 9.161 9.270 15.903 1.00 1.00 H new ATOM 0 HE2 MET A 99 9.312 8.358 14.382 1.00 1.00 H new ATOM 0 HE3 MET A 99 7.736 8.468 15.200 1.00 1.00 H new ATOM 1445 N SER A 100 7.839 2.679 17.960 1.00 1.00 N ATOM 1446 CA SER A 100 7.420 2.016 19.183 1.00 1.00 C ATOM 1447 C SER A 100 5.893 2.010 19.278 1.00 1.00 C ATOM 1448 O SER A 100 5.209 2.490 18.375 1.00 1.00 O ATOM 1449 CB SER A 100 8.025 2.694 20.414 1.00 1.00 C ATOM 1450 OG SER A 100 9.239 2.070 20.823 1.00 1.00 O ATOM 0 H SER A 100 7.084 2.884 17.306 1.00 1.00 H new ATOM 0 HA SER A 100 7.781 0.988 19.154 1.00 1.00 H new ATOM 0 HB2 SER A 100 8.214 3.745 20.194 1.00 1.00 H new ATOM 0 HB3 SER A 100 7.308 2.664 21.234 1.00 1.00 H new ATOM 0 HG SER A 100 9.942 2.262 20.168 1.00 1.00 H new ATOM 1456 N VAL A 101 5.401 1.461 20.380 1.00 1.00 N ATOM 1457 CA VAL A 101 3.969 1.386 20.604 1.00 1.00 C ATOM 1458 C VAL A 101 3.664 1.750 22.059 1.00 1.00 C ATOM 1459 O VAL A 101 3.832 2.900 22.463 1.00 1.00 O ATOM 1460 CB VAL A 101 3.448 0.001 20.212 1.00 1.00 C ATOM 1461 CG1 VAL A 101 3.307 -0.122 18.694 1.00 1.00 C ATOM 1462 CG2 VAL A 101 4.350 -1.101 20.770 1.00 1.00 C ATOM 0 H VAL A 101 5.971 1.064 21.127 1.00 1.00 H new ATOM 0 HA VAL A 101 3.447 2.105 19.973 1.00 1.00 H new ATOM 0 HB VAL A 101 2.458 -0.122 20.651 1.00 1.00 H new ATOM 0 HG11 VAL A 101 2.935 -1.115 18.442 1.00 1.00 H new ATOM 0 HG12 VAL A 101 2.606 0.630 18.332 1.00 1.00 H new ATOM 0 HG13 VAL A 101 4.279 0.031 18.225 1.00 1.00 H new ATOM 0 HG21 VAL A 101 3.958 -2.075 20.477 1.00 1.00 H new ATOM 0 HG22 VAL A 101 5.358 -0.982 20.373 1.00 1.00 H new ATOM 0 HG23 VAL A 101 4.378 -1.033 21.858 1.00 1.00 H new ATOM 1472 N GLU A 102 3.222 0.749 22.805 1.00 1.00 N ATOM 1473 CA GLU A 102 2.894 0.949 24.206 1.00 1.00 C ATOM 1474 C GLU A 102 1.940 2.134 24.364 1.00 1.00 C ATOM 1475 O GLU A 102 2.079 2.928 25.292 1.00 1.00 O ATOM 1476 CB GLU A 102 4.160 1.147 25.043 1.00 1.00 C ATOM 1477 CG GLU A 102 4.023 0.477 26.411 1.00 1.00 C ATOM 1478 CD GLU A 102 5.376 0.398 27.121 1.00 1.00 C ATOM 1479 OE1 GLU A 102 6.225 1.264 26.821 1.00 1.00 O ATOM 1480 OE2 GLU A 102 5.531 -0.528 27.946 1.00 1.00 O ATOM 0 H GLU A 102 3.083 -0.203 22.466 1.00 1.00 H new ATOM 0 HA GLU A 102 2.393 0.054 24.573 1.00 1.00 H new ATOM 0 HB2 GLU A 102 5.018 0.731 24.515 1.00 1.00 H new ATOM 0 HB3 GLU A 102 4.351 2.212 25.173 1.00 1.00 H new ATOM 0 HG2 GLU A 102 3.318 1.037 27.025 1.00 1.00 H new ATOM 0 HG3 GLU A 102 3.613 -0.526 26.289 1.00 1.00 H new ATOM 1487 N ASP A 103 0.992 2.216 23.442 1.00 1.00 N ATOM 1488 CA ASP A 103 0.015 3.291 23.467 1.00 1.00 C ATOM 1489 C ASP A 103 -1.094 2.990 22.456 1.00 1.00 C ATOM 1490 O ASP A 103 -1.706 3.906 21.911 1.00 1.00 O ATOM 1491 CB ASP A 103 0.655 4.626 23.083 1.00 1.00 C ATOM 1492 CG ASP A 103 -0.306 5.815 23.038 1.00 1.00 C ATOM 1493 OD1 ASP A 103 -1.421 5.665 23.587 1.00 1.00 O ATOM 1494 OD2 ASP A 103 0.094 6.847 22.458 1.00 1.00 O ATOM 0 H ASP A 103 0.880 1.555 22.673 1.00 1.00 H new ATOM 0 HA ASP A 103 -0.384 3.360 24.479 1.00 1.00 H new ATOM 0 HB2 ASP A 103 1.451 4.848 23.794 1.00 1.00 H new ATOM 0 HB3 ASP A 103 1.123 4.519 22.104 1.00 1.00 H new ATOM 1499 N CYS A 104 -1.319 1.703 22.239 1.00 1.00 N ATOM 1500 CA CYS A 104 -2.344 1.269 21.304 1.00 1.00 C ATOM 1501 C CYS A 104 -3.566 0.815 22.106 1.00 1.00 C ATOM 1502 O CYS A 104 -3.444 0.448 23.274 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.831 0.169 20.373 1.00 1.00 C ATOM 1504 SG CYS A 104 -0.030 0.213 20.051 1.00 1.00 S ATOM 0 H CYS A 104 -0.809 0.946 22.694 1.00 1.00 H new ATOM 0 HA CYS A 104 -2.624 2.100 20.657 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -2.085 -0.800 20.804 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -2.358 0.243 19.422 1.00 1.00 H new ATOM 1509 N HIS A 105 -4.714 0.856 21.448 1.00 1.00 N ATOM 1510 CA HIS A 105 -5.956 0.455 22.084 1.00 1.00 C ATOM 1511 C HIS A 105 -7.029 0.221 21.017 1.00 1.00 C ATOM 1512 O HIS A 105 -6.899 0.692 19.889 1.00 1.00 O ATOM 1513 CB HIS A 105 -6.383 1.477 23.139 1.00 1.00 C ATOM 1514 CG HIS A 105 -6.335 2.909 22.661 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -5.808 3.936 23.423 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -6.752 3.472 21.491 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -5.909 5.064 22.734 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -6.496 4.774 21.537 1.00 1.00 N ATOM 0 H HIS A 105 -4.810 1.161 20.480 1.00 1.00 H new ATOM 0 HA HIS A 105 -5.808 -0.486 22.613 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -7.398 1.247 23.463 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -5.738 1.374 24.012 1.00 1.00 H new ATOM 0 HD1 HIS A 105 -5.409 3.841 24.357 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -7.212 2.948 20.667 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -5.584 6.040 23.062 1.00 1.00 H new ATOM 1526 N TYR A 106 -8.064 -0.505 21.412 1.00 1.00 N ATOM 1527 CA TYR A 106 -9.157 -0.806 20.505 1.00 1.00 C ATOM 1528 C TYR A 106 -10.448 -0.120 20.956 1.00 1.00 C ATOM 1529 O TYR A 106 -11.065 -0.534 21.937 1.00 1.00 O ATOM 1530 CB TYR A 106 -9.350 -2.322 20.566 1.00 1.00 C ATOM 1531 CG TYR A 106 -8.251 -3.119 19.861 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -7.823 -2.742 18.603 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -7.686 -4.215 20.482 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -6.788 -3.491 17.940 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -6.650 -4.964 19.817 1.00 1.00 C ATOM 1536 CZ TYR A 106 -6.253 -4.565 18.580 1.00 1.00 C ATOM 1537 OH TYR A 106 -5.276 -5.273 17.952 1.00 1.00 O ATOM 0 H TYR A 106 -8.168 -0.894 22.349 1.00 1.00 H new ATOM 0 HA TYR A 106 -8.929 -0.454 19.499 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -9.395 -2.630 21.611 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -10.311 -2.574 20.118 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -8.265 -1.885 18.117 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -8.020 -4.511 21.465 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -6.444 -3.206 16.957 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -6.199 -5.823 20.291 1.00 1.00 H new ATOM 0 HH TYR A 106 -4.674 -5.663 18.620 1.00 1.00 H new TER 1547 TYR A 106