USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -2.19! C(o=-7.4!,f=-17!) USER MOD Set 1.2: A 77 THR OG1 : rot 90:sc= -5.25! USER MOD Set 2.1: A 39 ASN : amide:sc= -0.438 K(o=-1.8,f=-10!) USER MOD Set 2.2: A 56 SER OG : rot -156:sc= -1.41 USER MOD Set 3.1: A 31 GLN : amide:sc= -5.66! C(o=-8.1!,f=-8.2!) USER MOD Set 3.2: A 32 SER OG : rot -160:sc= -2.48! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc=-0.00482 (180deg=-0.177) USER MOD Single : A 4 SER OG : rot 61:sc= 0.267 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.735 (180deg=-0.942) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 1.05 (180deg=0.374) USER MOD Single : A 26 SER OG : rot -49:sc= -0.6 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0935 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 45 GLN : amide:sc= -5.99! C(o=-6!,f=-7.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.962 USER MOD Single : A 62 THR OG1 : rot -92:sc= 0.792 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -0.129 (180deg=-0.782) USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= -0.0188 (180deg=-0.211) USER MOD Single : A 71 ASN : amide:sc= -2.42! C(o=-2.4!,f=-2.3!) USER MOD Single : A 73 THR OG1 : rot 22:sc= 0.0406! USER MOD Single : A 78 THR OG1 : rot -100:sc= 0.129 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.652 -6.049 0.316 1.00 0.00 N ATOM 2 CA MET A 1 19.457 -5.699 -0.503 1.00 0.00 C ATOM 3 C MET A 1 18.629 -4.640 0.228 1.00 0.00 C ATOM 4 O MET A 1 18.198 -4.840 1.346 1.00 0.00 O ATOM 5 CB MET A 1 18.605 -6.952 -0.724 1.00 0.00 C ATOM 6 CG MET A 1 19.273 -7.846 -1.770 1.00 0.00 C ATOM 7 SD MET A 1 18.436 -9.451 -1.813 1.00 0.00 S ATOM 8 CE MET A 1 19.509 -10.302 -0.632 1.00 0.00 C ATOM 0 H1 MET A 1 21.352 -6.534 -0.281 1.00 0.00 H new ATOM 0 H2 MET A 1 21.072 -5.181 0.706 1.00 0.00 H new ATOM 0 H3 MET A 1 20.367 -6.677 1.095 1.00 0.00 H new ATOM 0 HA MET A 1 19.780 -5.305 -1.467 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.489 -7.496 0.214 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.605 -6.671 -1.055 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.227 -7.373 -2.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.328 -7.980 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.168 -11.329 -0.505 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.533 -10.303 -1.006 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.474 -9.787 0.328 1.00 0.00 H new ATOM 18 N GLY A 2 18.404 -3.516 -0.395 1.00 0.00 N ATOM 19 CA GLY A 2 17.603 -2.444 0.264 1.00 0.00 C ATOM 20 C GLY A 2 18.516 -1.591 1.146 1.00 0.00 C ATOM 21 O GLY A 2 18.686 -0.409 0.919 1.00 0.00 O ATOM 0 H GLY A 2 18.740 -3.293 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.122 -1.820 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.809 -2.887 0.866 1.00 0.00 H new ATOM 25 N ASP A 3 19.103 -2.179 2.152 1.00 0.00 N ATOM 26 CA ASP A 3 20.004 -1.401 3.048 1.00 0.00 C ATOM 27 C ASP A 3 19.251 -0.187 3.598 1.00 0.00 C ATOM 28 O ASP A 3 19.423 0.924 3.138 1.00 0.00 O ATOM 29 CB ASP A 3 21.226 -0.928 2.257 1.00 0.00 C ATOM 30 CG ASP A 3 22.279 -0.382 3.223 1.00 0.00 C ATOM 31 OD1 ASP A 3 22.684 -1.122 4.106 1.00 0.00 O ATOM 32 OD2 ASP A 3 22.663 0.764 3.064 1.00 0.00 O ATOM 0 H ASP A 3 18.998 -3.165 2.392 1.00 0.00 H new ATOM 0 HA ASP A 3 20.329 -2.033 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 3 21.641 -1.754 1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.935 -0.156 1.545 1.00 0.00 H new ATOM 37 N SER A 4 18.417 -0.391 4.581 1.00 0.00 N ATOM 38 CA SER A 4 17.654 0.749 5.161 1.00 0.00 C ATOM 39 C SER A 4 16.780 0.243 6.312 1.00 0.00 C ATOM 40 O SER A 4 16.913 -0.879 6.756 1.00 0.00 O ATOM 41 CB SER A 4 16.775 1.378 4.074 1.00 0.00 C ATOM 42 OG SER A 4 17.261 2.679 3.774 1.00 0.00 O ATOM 0 H SER A 4 18.231 -1.299 5.007 1.00 0.00 H new ATOM 0 HA SER A 4 18.346 1.500 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.785 0.758 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.740 1.433 4.413 1.00 0.00 H new ATOM 0 HG SER A 4 18.181 2.616 3.442 1.00 0.00 H new ATOM 48 N ARG A 5 15.886 1.066 6.794 1.00 0.00 N ATOM 49 CA ARG A 5 14.993 0.644 7.916 1.00 0.00 C ATOM 50 C ARG A 5 13.535 0.787 7.470 1.00 0.00 C ATOM 51 O ARG A 5 12.773 -0.160 7.483 1.00 0.00 O ATOM 52 CB ARG A 5 15.250 1.536 9.142 1.00 0.00 C ATOM 53 CG ARG A 5 16.585 2.271 8.977 1.00 0.00 C ATOM 54 CD ARG A 5 16.889 3.080 10.241 1.00 0.00 C ATOM 55 NE ARG A 5 17.527 2.195 11.255 1.00 0.00 N ATOM 56 CZ ARG A 5 18.109 2.715 12.301 1.00 0.00 C ATOM 57 NH1 ARG A 5 18.671 1.941 13.189 1.00 0.00 N ATOM 58 NH2 ARG A 5 18.128 4.010 12.460 1.00 0.00 N ATOM 0 H ARG A 5 15.735 2.017 6.458 1.00 0.00 H new ATOM 0 HA ARG A 5 15.197 -0.393 8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.439 2.256 9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.267 0.930 10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.385 1.554 8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.542 2.933 8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.550 3.913 10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.970 3.507 10.642 1.00 0.00 H new ATOM 0 HE ARG A 5 17.509 1.183 11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.656 0.929 13.066 1.00 0.00 H new ATOM 0 HH12 ARG A 5 19.126 2.349 14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.688 4.615 11.767 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.583 4.417 13.277 1.00 0.00 H new ATOM 72 N ASP A 6 13.148 1.966 7.070 1.00 0.00 N ATOM 73 CA ASP A 6 11.745 2.182 6.615 1.00 0.00 C ATOM 74 C ASP A 6 11.469 1.297 5.396 1.00 0.00 C ATOM 75 O ASP A 6 10.351 0.891 5.150 1.00 0.00 O ATOM 76 CB ASP A 6 11.567 3.659 6.235 1.00 0.00 C ATOM 77 CG ASP A 6 10.245 4.189 6.797 1.00 0.00 C ATOM 78 OD1 ASP A 6 10.183 5.370 7.096 1.00 0.00 O ATOM 79 OD2 ASP A 6 9.320 3.404 6.921 1.00 0.00 O ATOM 0 H ASP A 6 13.745 2.793 7.038 1.00 0.00 H new ATOM 0 HA ASP A 6 11.048 1.924 7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.399 4.246 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.580 3.768 5.151 1.00 0.00 H new ATOM 84 N LEU A 7 12.482 1.001 4.629 1.00 0.00 N ATOM 85 CA LEU A 7 12.282 0.151 3.422 1.00 0.00 C ATOM 86 C LEU A 7 11.924 -1.281 3.852 1.00 0.00 C ATOM 87 O LEU A 7 12.220 -1.700 4.953 1.00 0.00 O ATOM 88 CB LEU A 7 13.566 0.186 2.557 1.00 0.00 C ATOM 89 CG LEU A 7 14.472 -1.049 2.776 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.719 -1.298 4.275 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.850 -2.298 2.122 1.00 0.00 C ATOM 0 H LEU A 7 13.441 1.312 4.786 1.00 0.00 H new ATOM 0 HA LEU A 7 11.456 0.533 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.288 0.245 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.130 1.090 2.788 1.00 0.00 H new ATOM 0 HG LEU A 7 15.433 -0.847 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.359 -2.172 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.206 -0.427 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.767 -1.472 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.501 -3.157 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.873 -2.493 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.735 -2.129 1.051 1.00 0.00 H new ATOM 103 N CYS A 8 11.286 -2.029 2.986 1.00 0.00 N ATOM 104 CA CYS A 8 10.907 -3.437 3.325 1.00 0.00 C ATOM 105 C CYS A 8 11.424 -4.364 2.218 1.00 0.00 C ATOM 106 O CYS A 8 11.694 -3.934 1.115 1.00 0.00 O ATOM 107 CB CYS A 8 9.373 -3.561 3.454 1.00 0.00 C ATOM 108 SG CYS A 8 8.744 -4.834 2.313 1.00 0.00 S ATOM 0 H CYS A 8 11.010 -1.723 2.053 1.00 0.00 H new ATOM 0 HA CYS A 8 11.352 -3.719 4.279 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.107 -3.818 4.479 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.904 -2.602 3.234 1.00 0.00 H new ATOM 113 N PRO A 9 11.567 -5.626 2.511 1.00 0.00 N ATOM 114 CA PRO A 9 12.068 -6.640 1.532 1.00 0.00 C ATOM 115 C PRO A 9 11.229 -6.656 0.250 1.00 0.00 C ATOM 116 O PRO A 9 11.730 -6.483 -0.842 1.00 0.00 O ATOM 117 CB PRO A 9 11.914 -7.976 2.283 1.00 0.00 C ATOM 118 CG PRO A 9 10.965 -7.682 3.396 1.00 0.00 C ATOM 119 CD PRO A 9 11.257 -6.246 3.802 1.00 0.00 C ATOM 0 HA PRO A 9 13.090 -6.432 1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.525 -8.755 1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.873 -8.328 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.931 -7.797 3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.115 -8.365 4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.401 -5.776 4.286 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.093 -6.180 4.498 1.00 0.00 H new ATOM 127 N HIS A 10 9.953 -6.867 0.393 1.00 0.00 N ATOM 128 CA HIS A 10 9.054 -6.903 -0.799 1.00 0.00 C ATOM 129 C HIS A 10 8.832 -5.483 -1.312 1.00 0.00 C ATOM 130 O HIS A 10 8.163 -5.265 -2.301 1.00 0.00 O ATOM 131 CB HIS A 10 7.706 -7.533 -0.413 1.00 0.00 C ATOM 132 CG HIS A 10 7.937 -8.612 0.606 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.038 -8.349 1.972 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.096 -9.969 0.469 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.249 -9.532 2.586 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.292 -10.542 1.717 1.00 0.00 N ATOM 0 H HIS A 10 9.488 -7.017 1.288 1.00 0.00 H new ATOM 0 HA HIS A 10 9.516 -7.502 -1.583 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.038 -6.772 -0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.219 -7.948 -1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.072 -10.508 -0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.369 -9.647 3.653 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.438 -11.530 1.926 1.00 0.00 H new ATOM 144 N LEU A 11 9.394 -4.513 -0.649 1.00 0.00 N ATOM 145 CA LEU A 11 9.220 -3.106 -1.095 1.00 0.00 C ATOM 146 C LEU A 11 10.047 -2.867 -2.359 1.00 0.00 C ATOM 147 O LEU A 11 9.757 -1.988 -3.146 1.00 0.00 O ATOM 148 CB LEU A 11 9.678 -2.171 0.025 1.00 0.00 C ATOM 149 CG LEU A 11 9.180 -0.740 -0.243 1.00 0.00 C ATOM 150 CD1 LEU A 11 9.137 0.048 1.075 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.109 -0.031 -1.249 1.00 0.00 C ATOM 0 H LEU A 11 9.968 -4.635 0.185 1.00 0.00 H new ATOM 0 HA LEU A 11 8.172 -2.910 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.296 -2.524 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.766 -2.179 0.094 1.00 0.00 H new ATOM 0 HG LEU A 11 8.177 -0.788 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.784 1.061 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.460 -0.446 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.137 0.088 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.745 0.980 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.119 0.014 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.120 -0.586 -2.187 1.00 0.00 H new ATOM 163 N ASP A 12 11.068 -3.651 -2.567 1.00 0.00 N ATOM 164 CA ASP A 12 11.906 -3.480 -3.787 1.00 0.00 C ATOM 165 C ASP A 12 11.305 -4.301 -4.930 1.00 0.00 C ATOM 166 O ASP A 12 11.563 -4.050 -6.091 1.00 0.00 O ATOM 167 CB ASP A 12 13.324 -3.974 -3.499 1.00 0.00 C ATOM 168 CG ASP A 12 14.236 -3.624 -4.676 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.731 -2.510 -4.706 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.423 -4.477 -5.528 1.00 0.00 O ATOM 0 H ASP A 12 11.359 -4.404 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 12 11.936 -2.427 -4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.701 -3.516 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.319 -5.052 -3.337 1.00 0.00 H new ATOM 175 N SER A 13 10.513 -5.286 -4.606 1.00 0.00 N ATOM 176 CA SER A 13 9.899 -6.138 -5.666 1.00 0.00 C ATOM 177 C SER A 13 8.625 -5.475 -6.203 1.00 0.00 C ATOM 178 O SER A 13 8.208 -5.725 -7.317 1.00 0.00 O ATOM 179 CB SER A 13 9.549 -7.503 -5.071 1.00 0.00 C ATOM 180 OG SER A 13 9.335 -8.434 -6.123 1.00 0.00 O ATOM 0 H SER A 13 10.263 -5.539 -3.650 1.00 0.00 H new ATOM 0 HA SER A 13 10.608 -6.259 -6.485 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.355 -7.848 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.655 -7.424 -4.452 1.00 0.00 H new ATOM 0 HG SER A 13 9.112 -9.310 -5.744 1.00 0.00 H new ATOM 186 N ILE A 14 7.998 -4.641 -5.420 1.00 0.00 N ATOM 187 CA ILE A 14 6.747 -3.973 -5.887 1.00 0.00 C ATOM 188 C ILE A 14 7.093 -2.789 -6.802 1.00 0.00 C ATOM 189 O ILE A 14 6.223 -2.101 -7.296 1.00 0.00 O ATOM 190 CB ILE A 14 5.948 -3.480 -4.677 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.861 -2.713 -3.714 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.351 -4.684 -3.940 1.00 0.00 C ATOM 193 CD1 ILE A 14 7.289 -1.379 -4.330 1.00 0.00 C ATOM 0 H ILE A 14 8.296 -4.392 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 14 6.147 -4.688 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 14 5.155 -2.818 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.340 -2.535 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.741 -3.313 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.781 -4.337 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.692 -5.233 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.154 -5.340 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.937 -0.847 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.829 -1.564 -5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.406 -0.774 -4.538 1.00 0.00 H new ATOM 205 N GLY A 15 8.357 -2.557 -7.043 1.00 0.00 N ATOM 206 CA GLY A 15 8.763 -1.431 -7.940 1.00 0.00 C ATOM 207 C GLY A 15 8.061 -0.132 -7.529 1.00 0.00 C ATOM 208 O GLY A 15 7.892 0.154 -6.362 1.00 0.00 O ATOM 0 H GLY A 15 9.129 -3.100 -6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.844 -1.296 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.514 -1.674 -8.973 1.00 0.00 H new ATOM 212 N GLU A 16 7.658 0.664 -8.486 1.00 0.00 N ATOM 213 CA GLU A 16 6.973 1.951 -8.157 1.00 0.00 C ATOM 214 C GLU A 16 5.827 2.184 -9.144 1.00 0.00 C ATOM 215 O GLU A 16 6.028 2.665 -10.240 1.00 0.00 O ATOM 216 CB GLU A 16 7.980 3.107 -8.257 1.00 0.00 C ATOM 217 CG GLU A 16 7.252 4.458 -8.183 1.00 0.00 C ATOM 218 CD GLU A 16 6.214 4.431 -7.058 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.594 4.661 -5.922 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.056 4.178 -7.353 1.00 0.00 O ATOM 0 H GLU A 16 7.774 0.478 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 16 6.575 1.903 -7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.708 3.034 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.534 3.036 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.970 5.259 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.764 4.670 -9.134 1.00 0.00 H new ATOM 227 N VAL A 17 4.623 1.852 -8.761 1.00 0.00 N ATOM 228 CA VAL A 17 3.468 2.063 -9.679 1.00 0.00 C ATOM 229 C VAL A 17 3.307 3.561 -9.940 1.00 0.00 C ATOM 230 O VAL A 17 4.143 4.357 -9.561 1.00 0.00 O ATOM 231 CB VAL A 17 2.194 1.514 -9.038 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.229 -0.015 -9.055 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.097 2.005 -7.592 1.00 0.00 C ATOM 0 H VAL A 17 4.390 1.445 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 17 3.646 1.542 -10.620 1.00 0.00 H new ATOM 0 HB VAL A 17 1.328 1.863 -9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.320 -0.405 -8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.296 -0.366 -10.085 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.096 -0.365 -8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.188 1.613 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.964 1.657 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.069 3.095 -7.579 1.00 0.00 H new ATOM 243 N THR A 18 2.243 3.956 -10.582 1.00 0.00 N ATOM 244 CA THR A 18 2.048 5.407 -10.856 1.00 0.00 C ATOM 245 C THR A 18 1.771 6.132 -9.540 1.00 0.00 C ATOM 246 O THR A 18 0.918 5.742 -8.770 1.00 0.00 O ATOM 247 CB THR A 18 0.858 5.587 -11.813 1.00 0.00 C ATOM 248 OG1 THR A 18 0.217 4.334 -12.005 1.00 0.00 O ATOM 249 CG2 THR A 18 1.350 6.117 -13.163 1.00 0.00 C ATOM 0 H THR A 18 1.505 3.342 -10.927 1.00 0.00 H new ATOM 0 HA THR A 18 2.944 5.823 -11.316 1.00 0.00 H new ATOM 0 HB THR A 18 0.155 6.300 -11.383 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.543 4.445 -12.613 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.502 6.242 -13.836 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.843 7.078 -13.019 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.056 5.408 -13.597 1.00 0.00 H new ATOM 257 N LYS A 19 2.467 7.201 -9.293 1.00 0.00 N ATOM 258 CA LYS A 19 2.223 7.972 -8.045 1.00 0.00 C ATOM 259 C LYS A 19 0.749 8.352 -8.027 1.00 0.00 C ATOM 260 O LYS A 19 0.005 7.968 -7.150 1.00 0.00 O ATOM 261 CB LYS A 19 3.083 9.239 -8.052 1.00 0.00 C ATOM 262 CG LYS A 19 3.261 9.737 -9.500 1.00 0.00 C ATOM 263 CD LYS A 19 4.745 9.705 -9.889 1.00 0.00 C ATOM 264 CE LYS A 19 5.208 8.251 -10.050 1.00 0.00 C ATOM 265 NZ LYS A 19 4.782 7.740 -11.383 1.00 0.00 N ATOM 0 H LYS A 19 3.195 7.576 -9.901 1.00 0.00 H new ATOM 0 HA LYS A 19 2.479 7.381 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.612 10.013 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.056 9.032 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.685 9.111 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.874 10.752 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.898 10.250 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.342 10.204 -9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.292 8.190 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.783 7.633 -9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.814 6.700 -11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.811 8.056 -11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.423 8.106 -12.116 1.00 0.00 H new ATOM 279 N GLU A 20 0.326 9.085 -9.019 1.00 0.00 N ATOM 280 CA GLU A 20 -1.098 9.476 -9.112 1.00 0.00 C ATOM 281 C GLU A 20 -1.949 8.268 -8.741 1.00 0.00 C ATOM 282 O GLU A 20 -2.956 8.381 -8.080 1.00 0.00 O ATOM 283 CB GLU A 20 -1.403 9.918 -10.538 1.00 0.00 C ATOM 284 CG GLU A 20 -2.916 9.936 -10.778 1.00 0.00 C ATOM 285 CD GLU A 20 -3.197 10.222 -12.254 1.00 0.00 C ATOM 286 OE1 GLU A 20 -4.360 10.247 -12.622 1.00 0.00 O ATOM 287 OE2 GLU A 20 -2.245 10.410 -12.992 1.00 0.00 O ATOM 0 H GLU A 20 0.917 9.431 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.317 10.301 -8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.988 10.910 -10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.924 9.242 -11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.351 8.978 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.385 10.697 -10.154 1.00 0.00 H new ATOM 294 N ASP A 21 -1.537 7.104 -9.149 1.00 0.00 N ATOM 295 CA ASP A 21 -2.322 5.889 -8.793 1.00 0.00 C ATOM 296 C ASP A 21 -2.576 5.927 -7.291 1.00 0.00 C ATOM 297 O ASP A 21 -3.663 5.661 -6.821 1.00 0.00 O ATOM 298 CB ASP A 21 -1.535 4.624 -9.160 1.00 0.00 C ATOM 299 CG ASP A 21 -2.499 3.443 -9.321 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.612 3.667 -9.769 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.106 2.337 -8.993 1.00 0.00 O ATOM 0 H ASP A 21 -0.700 6.939 -9.708 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.264 5.872 -9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.983 4.784 -10.086 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.801 4.403 -8.385 1.00 0.00 H new ATOM 306 N LEU A 22 -1.580 6.293 -6.537 1.00 0.00 N ATOM 307 CA LEU A 22 -1.754 6.387 -5.065 1.00 0.00 C ATOM 308 C LEU A 22 -2.635 7.594 -4.767 1.00 0.00 C ATOM 309 O LEU A 22 -3.248 7.697 -3.724 1.00 0.00 O ATOM 310 CB LEU A 22 -0.388 6.551 -4.391 1.00 0.00 C ATOM 311 CG LEU A 22 0.640 5.666 -5.098 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.955 5.688 -4.315 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.118 4.228 -5.172 1.00 0.00 C ATOM 0 H LEU A 22 -0.649 6.532 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.221 5.481 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.074 7.594 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.455 6.278 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 22 0.808 6.043 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.688 5.058 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.330 6.710 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.784 5.312 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.852 3.600 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.052 3.850 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.819 4.209 -5.729 1.00 0.00 H new ATOM 325 N LEU A 23 -2.698 8.502 -5.692 1.00 0.00 N ATOM 326 CA LEU A 23 -3.534 9.713 -5.505 1.00 0.00 C ATOM 327 C LEU A 23 -4.992 9.362 -5.812 1.00 0.00 C ATOM 328 O LEU A 23 -5.859 9.552 -4.983 1.00 0.00 O ATOM 329 CB LEU A 23 -3.007 10.802 -6.446 1.00 0.00 C ATOM 330 CG LEU A 23 -1.505 11.017 -6.182 1.00 0.00 C ATOM 331 CD1 LEU A 23 -1.015 12.256 -6.948 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.260 11.225 -4.680 1.00 0.00 C ATOM 0 H LEU A 23 -2.200 8.457 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.485 10.079 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.168 10.511 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.553 11.732 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.959 10.136 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.048 12.404 -6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.176 12.111 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.569 13.133 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.195 11.376 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.813 12.100 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.598 10.346 -4.131 1.00 0.00 H new ATOM 344 N LEU A 24 -5.285 8.819 -6.968 1.00 0.00 N ATOM 345 CA LEU A 24 -6.700 8.445 -7.232 1.00 0.00 C ATOM 346 C LEU A 24 -7.094 7.404 -6.206 1.00 0.00 C ATOM 347 O LEU A 24 -8.152 7.475 -5.634 1.00 0.00 O ATOM 348 CB LEU A 24 -6.892 7.881 -8.645 1.00 0.00 C ATOM 349 CG LEU A 24 -6.101 6.578 -8.839 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.014 5.368 -8.602 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.576 6.517 -10.278 1.00 0.00 C ATOM 0 H LEU A 24 -4.623 8.624 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.326 9.334 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.951 7.696 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.569 8.618 -9.380 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.274 6.557 -8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.444 4.449 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.405 5.401 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.842 5.393 -9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.014 5.594 -10.421 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.415 6.542 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.925 7.371 -10.464 1.00 0.00 H new ATOM 363 N LYS A 25 -6.242 6.446 -5.935 1.00 0.00 N ATOM 364 CA LYS A 25 -6.591 5.431 -4.907 1.00 0.00 C ATOM 365 C LYS A 25 -7.100 6.188 -3.680 1.00 0.00 C ATOM 366 O LYS A 25 -8.096 5.838 -3.080 1.00 0.00 O ATOM 367 CB LYS A 25 -5.348 4.609 -4.554 1.00 0.00 C ATOM 368 CG LYS A 25 -5.097 3.560 -5.648 1.00 0.00 C ATOM 369 CD LYS A 25 -3.666 3.018 -5.537 1.00 0.00 C ATOM 370 CE LYS A 25 -3.563 1.685 -6.282 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.218 1.086 -6.045 1.00 0.00 N ATOM 0 H LYS A 25 -5.331 6.327 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.355 4.745 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.482 5.264 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.485 4.119 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.812 2.743 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.251 4.004 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.961 3.736 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.398 2.882 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.342 1.004 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.721 1.839 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.963 0.476 -6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.513 1.844 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.239 0.520 -5.173 1.00 0.00 H new ATOM 385 N SER A 26 -6.428 7.252 -3.335 1.00 0.00 N ATOM 386 CA SER A 26 -6.857 8.087 -2.183 1.00 0.00 C ATOM 387 C SER A 26 -8.149 8.819 -2.566 1.00 0.00 C ATOM 388 O SER A 26 -8.573 9.740 -1.898 1.00 0.00 O ATOM 389 CB SER A 26 -5.762 9.123 -1.887 1.00 0.00 C ATOM 390 OG SER A 26 -5.893 9.575 -0.546 1.00 0.00 O ATOM 0 H SER A 26 -5.588 7.581 -3.811 1.00 0.00 H new ATOM 0 HA SER A 26 -7.025 7.464 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.777 8.682 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.845 9.964 -2.576 1.00 0.00 H new ATOM 0 HG SER A 26 -6.826 9.820 -0.373 1.00 0.00 H new ATOM 396 N LYS A 27 -8.756 8.441 -3.664 1.00 0.00 N ATOM 397 CA LYS A 27 -9.990 9.145 -4.115 1.00 0.00 C ATOM 398 C LYS A 27 -10.977 9.300 -2.955 1.00 0.00 C ATOM 399 O LYS A 27 -11.463 10.384 -2.703 1.00 0.00 O ATOM 400 CB LYS A 27 -10.656 8.390 -5.278 1.00 0.00 C ATOM 401 CG LYS A 27 -10.543 6.869 -5.089 1.00 0.00 C ATOM 402 CD LYS A 27 -11.822 6.192 -5.586 1.00 0.00 C ATOM 403 CE LYS A 27 -11.946 6.407 -7.096 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.174 5.729 -7.597 1.00 0.00 N ATOM 0 H LYS A 27 -8.449 7.676 -4.265 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.703 10.136 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.706 8.674 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.187 8.678 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.681 6.488 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.381 6.634 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.797 5.126 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.691 6.607 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.990 7.473 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.067 6.011 -7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.257 5.876 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.114 4.710 -7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.009 6.127 -7.121 1.00 0.00 H new ATOM 418 N GLY A 28 -11.277 8.252 -2.227 1.00 0.00 N ATOM 419 CA GLY A 28 -12.222 8.414 -1.091 1.00 0.00 C ATOM 420 C GLY A 28 -13.096 7.180 -0.926 1.00 0.00 C ATOM 421 O GLY A 28 -14.032 7.189 -0.158 1.00 0.00 O ATOM 0 H GLY A 28 -10.913 7.310 -2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.664 8.594 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.850 9.289 -1.258 1.00 0.00 H new ATOM 425 N THR A 29 -12.832 6.121 -1.636 1.00 0.00 N ATOM 426 CA THR A 29 -13.699 4.924 -1.471 1.00 0.00 C ATOM 427 C THR A 29 -12.991 3.651 -1.967 1.00 0.00 C ATOM 428 O THR A 29 -12.196 3.682 -2.885 1.00 0.00 O ATOM 429 CB THR A 29 -14.984 5.149 -2.270 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.831 6.300 -3.088 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.173 5.351 -1.325 1.00 0.00 C ATOM 0 H THR A 29 -12.071 6.032 -2.309 1.00 0.00 H new ATOM 0 HA THR A 29 -13.924 4.786 -0.413 1.00 0.00 H new ATOM 0 HB THR A 29 -15.173 4.273 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.652 6.447 -3.603 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.079 5.510 -1.909 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.295 4.467 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.992 6.220 -0.693 1.00 0.00 H new ATOM 439 N CYS A 30 -13.318 2.525 -1.383 1.00 0.00 N ATOM 440 CA CYS A 30 -12.720 1.227 -1.827 1.00 0.00 C ATOM 441 C CYS A 30 -13.222 0.945 -3.243 1.00 0.00 C ATOM 442 O CYS A 30 -14.370 1.195 -3.554 1.00 0.00 O ATOM 443 CB CYS A 30 -13.176 0.100 -0.887 1.00 0.00 C ATOM 444 SG CYS A 30 -12.569 -1.499 -1.498 1.00 0.00 S ATOM 0 H CYS A 30 -13.980 2.449 -0.611 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.631 1.281 -1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.800 0.281 0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.264 0.086 -0.824 1.00 0.00 H new ATOM 449 N GLN A 31 -12.390 0.447 -4.114 1.00 0.00 N ATOM 450 CA GLN A 31 -12.866 0.188 -5.502 1.00 0.00 C ATOM 451 C GLN A 31 -13.706 -1.089 -5.545 1.00 0.00 C ATOM 452 O GLN A 31 -14.373 -1.365 -6.522 1.00 0.00 O ATOM 453 CB GLN A 31 -11.681 0.055 -6.460 1.00 0.00 C ATOM 454 CG GLN A 31 -10.692 -0.999 -5.955 1.00 0.00 C ATOM 455 CD GLN A 31 -11.232 -2.400 -6.244 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.164 -2.560 -7.008 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.678 -3.430 -5.665 1.00 0.00 N ATOM 0 H GLN A 31 -11.415 0.211 -3.930 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.481 1.032 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.038 -0.220 -7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.177 1.016 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.725 -0.865 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.531 -0.876 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.896 -3.295 -5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.027 -4.370 -5.853 1.00 0.00 H new ATOM 466 N SER A 32 -13.686 -1.870 -4.498 1.00 0.00 N ATOM 467 CA SER A 32 -14.493 -3.126 -4.488 1.00 0.00 C ATOM 468 C SER A 32 -15.606 -3.014 -3.444 1.00 0.00 C ATOM 469 O SER A 32 -16.538 -3.793 -3.436 1.00 0.00 O ATOM 470 CB SER A 32 -13.590 -4.312 -4.146 1.00 0.00 C ATOM 471 OG SER A 32 -12.716 -4.565 -5.238 1.00 0.00 O ATOM 0 H SER A 32 -13.147 -1.693 -3.650 1.00 0.00 H new ATOM 0 HA SER A 32 -14.935 -3.278 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.014 -4.098 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.193 -5.195 -3.936 1.00 0.00 H new ATOM 0 HG SER A 32 -12.369 -5.480 -5.175 1.00 0.00 H new ATOM 477 N CYS A 33 -15.518 -2.050 -2.564 1.00 0.00 N ATOM 478 CA CYS A 33 -16.575 -1.886 -1.520 1.00 0.00 C ATOM 479 C CYS A 33 -17.112 -0.455 -1.546 1.00 0.00 C ATOM 480 O CYS A 33 -18.217 -0.196 -1.116 1.00 0.00 O ATOM 481 CB CYS A 33 -15.986 -2.177 -0.136 1.00 0.00 C ATOM 482 SG CYS A 33 -15.166 -3.784 -0.157 1.00 0.00 S ATOM 0 H CYS A 33 -14.760 -1.369 -2.523 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.387 -2.584 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.275 -1.398 0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.775 -2.169 0.616 1.00 0.00 H new ATOM 487 N GLY A 34 -16.342 0.484 -2.030 1.00 0.00 N ATOM 488 CA GLY A 34 -16.835 1.888 -2.052 1.00 0.00 C ATOM 489 C GLY A 34 -17.320 2.248 -0.650 1.00 0.00 C ATOM 490 O GLY A 34 -18.501 2.405 -0.409 1.00 0.00 O ATOM 0 H GLY A 34 -15.405 0.340 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.040 2.565 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.645 1.995 -2.773 1.00 0.00 H new ATOM 494 N VAL A 35 -16.412 2.340 0.285 1.00 0.00 N ATOM 495 CA VAL A 35 -16.803 2.644 1.694 1.00 0.00 C ATOM 496 C VAL A 35 -16.403 4.070 2.102 1.00 0.00 C ATOM 497 O VAL A 35 -17.168 4.752 2.752 1.00 0.00 O ATOM 498 CB VAL A 35 -16.132 1.619 2.615 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.803 0.250 2.413 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.645 1.515 2.267 1.00 0.00 C ATOM 0 H VAL A 35 -15.411 2.217 0.133 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.888 2.581 1.781 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.237 1.932 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.332 -0.486 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.863 0.325 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.691 -0.061 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.168 0.786 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.535 1.197 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.171 2.487 2.401 1.00 0.00 H new ATOM 510 N THR A 36 -15.231 4.541 1.741 1.00 0.00 N ATOM 511 CA THR A 36 -14.840 5.927 2.143 1.00 0.00 C ATOM 512 C THR A 36 -13.336 6.119 1.951 1.00 0.00 C ATOM 513 O THR A 36 -12.648 5.242 1.476 1.00 0.00 O ATOM 514 CB THR A 36 -15.184 6.168 3.621 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.370 7.219 4.124 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.927 4.895 4.440 1.00 0.00 C ATOM 0 H THR A 36 -14.538 4.032 1.193 1.00 0.00 H new ATOM 0 HA THR A 36 -15.387 6.634 1.520 1.00 0.00 H new ATOM 0 HB THR A 36 -16.237 6.437 3.702 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.587 7.378 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.175 5.079 5.485 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.547 4.085 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.876 4.617 4.360 1.00 0.00 H new ATOM 524 N GLY A 37 -12.831 7.270 2.312 1.00 0.00 N ATOM 525 CA GLY A 37 -11.376 7.550 2.151 1.00 0.00 C ATOM 526 C GLY A 37 -10.622 7.202 3.431 1.00 0.00 C ATOM 527 O GLY A 37 -9.818 6.293 3.460 1.00 0.00 O ATOM 0 H GLY A 37 -13.372 8.035 2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.978 6.971 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.226 8.602 1.908 1.00 0.00 H new ATOM 531 N PRO A 38 -10.861 7.927 4.485 1.00 0.00 N ATOM 532 CA PRO A 38 -10.175 7.678 5.768 1.00 0.00 C ATOM 533 C PRO A 38 -10.128 6.193 6.106 1.00 0.00 C ATOM 534 O PRO A 38 -11.125 5.499 6.089 1.00 0.00 O ATOM 535 CB PRO A 38 -10.988 8.449 6.813 1.00 0.00 C ATOM 536 CG PRO A 38 -12.110 9.129 6.076 1.00 0.00 C ATOM 537 CD PRO A 38 -11.793 9.051 4.578 1.00 0.00 C ATOM 0 HA PRO A 38 -9.136 8.004 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.379 7.774 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.363 9.180 7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.061 8.642 6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.204 10.167 6.394 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.692 8.878 3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.345 9.975 4.214 1.00 0.00 H new ATOM 545 N ASN A 39 -8.967 5.713 6.410 1.00 0.00 N ATOM 546 CA ASN A 39 -8.801 4.277 6.758 1.00 0.00 C ATOM 547 C ASN A 39 -8.838 3.415 5.493 1.00 0.00 C ATOM 548 O ASN A 39 -9.142 2.241 5.549 1.00 0.00 O ATOM 549 CB ASN A 39 -9.924 3.839 7.707 1.00 0.00 C ATOM 550 CG ASN A 39 -9.384 2.817 8.713 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.942 1.749 8.870 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.316 3.102 9.404 1.00 0.00 N ATOM 0 H ASN A 39 -8.107 6.260 6.434 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.837 4.147 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.326 4.705 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.745 3.404 7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.949 2.429 10.076 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.848 3.998 9.272 1.00 0.00 H new ATOM 559 N LEU A 40 -8.518 3.970 4.356 1.00 0.00 N ATOM 560 CA LEU A 40 -8.528 3.139 3.117 1.00 0.00 C ATOM 561 C LEU A 40 -7.212 2.363 3.052 1.00 0.00 C ATOM 562 O LEU A 40 -6.330 2.548 3.865 1.00 0.00 O ATOM 563 CB LEU A 40 -8.647 4.029 1.865 1.00 0.00 C ATOM 564 CG LEU A 40 -10.115 4.264 1.465 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.140 4.938 0.089 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.881 2.935 1.375 1.00 0.00 C ATOM 0 H LEU A 40 -8.254 4.947 4.231 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.381 2.462 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.164 4.988 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.115 3.562 1.036 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.590 4.890 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.173 5.113 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.611 5.890 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.654 4.292 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.915 3.130 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.413 2.295 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.859 2.436 2.344 1.00 0.00 H new ATOM 578 N TRP A 41 -7.068 1.502 2.088 1.00 0.00 N ATOM 579 CA TRP A 41 -5.801 0.724 1.972 1.00 0.00 C ATOM 580 C TRP A 41 -5.693 0.144 0.561 1.00 0.00 C ATOM 581 O TRP A 41 -6.232 -0.904 0.263 1.00 0.00 O ATOM 582 CB TRP A 41 -5.789 -0.403 3.017 1.00 0.00 C ATOM 583 CG TRP A 41 -4.572 -0.278 3.881 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.308 -0.119 3.424 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.479 -0.295 5.336 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.448 -0.039 4.503 1.00 0.00 N ATOM 587 CE2 TRP A 41 -3.122 -0.141 5.704 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.431 -0.426 6.363 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.723 -0.120 7.042 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -5.034 -0.406 7.710 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.683 -0.252 8.049 1.00 0.00 C ATOM 0 H TRP A 41 -7.769 1.301 1.375 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.948 1.378 2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.689 -0.353 3.630 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.796 -1.373 2.520 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.018 -0.064 2.385 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.438 0.081 4.422 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.475 -0.543 6.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.680 -0.003 7.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.774 -0.510 8.489 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.384 -0.235 9.087 1.00 0.00 H new ATOM 602 N ALA A 42 -5.012 0.828 -0.315 1.00 0.00 N ATOM 603 CA ALA A 42 -4.878 0.335 -1.709 1.00 0.00 C ATOM 604 C ALA A 42 -3.623 -0.518 -1.869 1.00 0.00 C ATOM 605 O ALA A 42 -2.589 -0.248 -1.293 1.00 0.00 O ATOM 606 CB ALA A 42 -4.787 1.530 -2.654 1.00 0.00 C ATOM 0 H ALA A 42 -4.541 1.712 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.749 -0.276 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.688 1.176 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.689 2.135 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.918 2.134 -2.394 1.00 0.00 H new ATOM 612 N CYS A 43 -3.714 -1.540 -2.673 1.00 0.00 N ATOM 613 CA CYS A 43 -2.541 -2.421 -2.915 1.00 0.00 C ATOM 614 C CYS A 43 -1.429 -1.596 -3.561 1.00 0.00 C ATOM 615 O CYS A 43 -1.688 -0.616 -4.231 1.00 0.00 O ATOM 616 CB CYS A 43 -2.954 -3.545 -3.858 1.00 0.00 C ATOM 617 SG CYS A 43 -1.724 -4.867 -3.805 1.00 0.00 S ATOM 0 H CYS A 43 -4.560 -1.804 -3.177 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.186 -2.844 -1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.931 -3.933 -3.571 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.048 -3.164 -4.875 1.00 0.00 H new ATOM 622 N LEU A 44 -0.194 -1.970 -3.359 1.00 0.00 N ATOM 623 CA LEU A 44 0.923 -1.184 -3.959 1.00 0.00 C ATOM 624 C LEU A 44 1.930 -2.112 -4.643 1.00 0.00 C ATOM 625 O LEU A 44 3.122 -1.904 -4.554 1.00 0.00 O ATOM 626 CB LEU A 44 1.631 -0.397 -2.853 1.00 0.00 C ATOM 627 CG LEU A 44 2.596 0.629 -3.478 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.971 2.024 -3.422 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.919 0.643 -2.703 1.00 0.00 C ATOM 0 H LEU A 44 0.089 -2.781 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 44 0.514 -0.503 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.896 0.113 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.181 -1.079 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 44 2.784 0.350 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.656 2.747 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.033 2.025 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.778 2.295 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.596 1.371 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.730 0.915 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.374 -0.347 -2.742 1.00 0.00 H new ATOM 641 N GLN A 45 1.479 -3.126 -5.336 1.00 0.00 N ATOM 642 CA GLN A 45 2.456 -4.026 -6.017 1.00 0.00 C ATOM 643 C GLN A 45 2.785 -3.465 -7.402 1.00 0.00 C ATOM 644 O GLN A 45 1.965 -2.845 -8.049 1.00 0.00 O ATOM 645 CB GLN A 45 1.891 -5.443 -6.161 1.00 0.00 C ATOM 646 CG GLN A 45 1.083 -5.830 -4.912 1.00 0.00 C ATOM 647 CD GLN A 45 1.858 -6.880 -4.112 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.259 -7.894 -4.647 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.091 -6.676 -2.843 1.00 0.00 N ATOM 0 H GLN A 45 0.495 -3.367 -5.459 1.00 0.00 H new ATOM 0 HA GLN A 45 3.360 -4.076 -5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.255 -5.499 -7.045 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.705 -6.152 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.900 -4.949 -4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.109 -6.224 -5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.755 -5.825 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.609 -7.368 -2.302 1.00 0.00 H new ATOM 658 N VAL A 46 3.993 -3.672 -7.842 1.00 0.00 N ATOM 659 CA VAL A 46 4.427 -3.156 -9.176 1.00 0.00 C ATOM 660 C VAL A 46 3.315 -3.304 -10.223 1.00 0.00 C ATOM 661 O VAL A 46 3.344 -2.651 -11.246 1.00 0.00 O ATOM 662 CB VAL A 46 5.648 -3.948 -9.650 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.314 -5.440 -9.665 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.032 -3.499 -11.063 1.00 0.00 C ATOM 0 H VAL A 46 4.711 -4.184 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 46 4.667 -2.098 -9.066 1.00 0.00 H new ATOM 0 HB VAL A 46 6.482 -3.768 -8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.183 -6.004 -10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.040 -5.762 -8.660 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.480 -5.619 -10.343 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.902 -4.063 -11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.198 -3.678 -11.741 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.270 -2.435 -11.055 1.00 0.00 H new ATOM 674 N ALA A 47 2.350 -4.161 -10.006 1.00 0.00 N ATOM 675 CA ALA A 47 1.281 -4.322 -11.038 1.00 0.00 C ATOM 676 C ALA A 47 -0.068 -4.654 -10.393 1.00 0.00 C ATOM 677 O ALA A 47 -0.707 -5.623 -10.750 1.00 0.00 O ATOM 678 CB ALA A 47 1.672 -5.454 -11.990 1.00 0.00 C ATOM 0 H ALA A 47 2.256 -4.746 -9.176 1.00 0.00 H new ATOM 0 HA ALA A 47 1.181 -3.382 -11.580 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.897 -5.578 -12.746 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.617 -5.211 -12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.781 -6.381 -11.427 1.00 0.00 H new ATOM 684 N CYS A 48 -0.520 -3.855 -9.465 1.00 0.00 N ATOM 685 CA CYS A 48 -1.841 -4.134 -8.831 1.00 0.00 C ATOM 686 C CYS A 48 -2.544 -2.819 -8.491 1.00 0.00 C ATOM 687 O CYS A 48 -2.508 -2.364 -7.365 1.00 0.00 O ATOM 688 CB CYS A 48 -1.639 -4.935 -7.550 1.00 0.00 C ATOM 689 SG CYS A 48 -3.215 -5.674 -7.060 1.00 0.00 S ATOM 0 H CYS A 48 -0.036 -3.026 -9.120 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.453 -4.705 -9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.892 -5.713 -7.707 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.264 -4.288 -6.757 1.00 0.00 H new ATOM 694 N PRO A 49 -3.186 -2.215 -9.455 1.00 0.00 N ATOM 695 CA PRO A 49 -3.916 -0.939 -9.249 1.00 0.00 C ATOM 696 C PRO A 49 -5.345 -1.169 -8.745 1.00 0.00 C ATOM 697 O PRO A 49 -6.235 -1.490 -9.505 1.00 0.00 O ATOM 698 CB PRO A 49 -3.928 -0.328 -10.649 1.00 0.00 C ATOM 699 CG PRO A 49 -3.946 -1.498 -11.585 1.00 0.00 C ATOM 700 CD PRO A 49 -3.285 -2.675 -10.849 1.00 0.00 C ATOM 0 HA PRO A 49 -3.450 -0.306 -8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.802 0.307 -10.795 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.050 0.296 -10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.968 -1.747 -11.871 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.406 -1.265 -12.503 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.884 -3.582 -10.928 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.304 -2.904 -11.264 1.00 0.00 H new ATOM 708 N TYR A 50 -5.563 -0.998 -7.470 1.00 0.00 N ATOM 709 CA TYR A 50 -6.925 -1.195 -6.896 1.00 0.00 C ATOM 710 C TYR A 50 -6.927 -0.638 -5.474 1.00 0.00 C ATOM 711 O TYR A 50 -6.023 -0.898 -4.705 1.00 0.00 O ATOM 712 CB TYR A 50 -7.258 -2.690 -6.851 1.00 0.00 C ATOM 713 CG TYR A 50 -7.568 -3.190 -8.242 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.769 -2.829 -8.864 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.654 -4.015 -8.909 1.00 0.00 C ATOM 716 CE1 TYR A 50 -9.056 -3.293 -10.154 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.942 -4.478 -10.199 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.142 -4.117 -10.822 1.00 0.00 C ATOM 719 OH TYR A 50 -8.426 -4.575 -12.091 1.00 0.00 O ATOM 0 H TYR A 50 -4.848 -0.727 -6.794 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.666 -0.684 -7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.418 -3.246 -6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.111 -2.862 -6.195 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.474 -2.193 -8.349 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.728 -4.294 -8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.983 -3.015 -10.634 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.237 -5.114 -10.714 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.687 -5.133 -12.410 1.00 0.00 H new ATOM 729 N VAL A 51 -7.921 0.129 -5.109 1.00 0.00 N ATOM 730 CA VAL A 51 -7.942 0.693 -3.730 1.00 0.00 C ATOM 731 C VAL A 51 -8.908 -0.104 -2.854 1.00 0.00 C ATOM 732 O VAL A 51 -10.109 0.031 -2.941 1.00 0.00 O ATOM 733 CB VAL A 51 -8.344 2.170 -3.776 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.513 2.364 -4.746 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.747 2.648 -2.375 1.00 0.00 C ATOM 0 H VAL A 51 -8.711 0.386 -5.700 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.944 0.620 -3.297 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.493 2.757 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.793 3.417 -4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.215 2.042 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.365 1.771 -4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.031 3.699 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.591 2.058 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.905 2.527 -1.693 1.00 0.00 H new ATOM 745 N GLY A 52 -8.375 -0.942 -2.009 1.00 0.00 N ATOM 746 CA GLY A 52 -9.237 -1.767 -1.121 1.00 0.00 C ATOM 747 C GLY A 52 -9.607 -0.980 0.137 1.00 0.00 C ATOM 748 O GLY A 52 -9.306 0.190 0.264 1.00 0.00 O ATOM 0 H GLY A 52 -7.372 -1.091 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.141 -2.063 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.715 -2.683 -0.845 1.00 0.00 H new ATOM 752 N CYS A 53 -10.267 -1.620 1.065 1.00 0.00 N ATOM 753 CA CYS A 53 -10.677 -0.932 2.321 1.00 0.00 C ATOM 754 C CYS A 53 -9.717 -1.261 3.440 1.00 0.00 C ATOM 755 O CYS A 53 -8.887 -2.145 3.354 1.00 0.00 O ATOM 756 CB CYS A 53 -12.037 -1.456 2.805 1.00 0.00 C ATOM 757 SG CYS A 53 -12.346 -3.091 2.095 1.00 0.00 S ATOM 0 H CYS A 53 -10.542 -2.600 1.004 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.703 0.135 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.050 -1.513 3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.829 -0.766 2.513 1.00 0.00 H new ATOM 762 N GLY A 54 -9.924 -0.596 4.522 1.00 0.00 N ATOM 763 CA GLY A 54 -9.160 -0.865 5.753 1.00 0.00 C ATOM 764 C GLY A 54 -10.219 -1.348 6.729 1.00 0.00 C ATOM 765 O GLY A 54 -11.390 -1.124 6.499 1.00 0.00 O ATOM 0 H GLY A 54 -10.615 0.149 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.390 -1.619 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.657 0.031 6.117 1.00 0.00 H new ATOM 769 N GLU A 55 -9.865 -2.024 7.777 1.00 0.00 N ATOM 770 CA GLU A 55 -10.918 -2.518 8.720 1.00 0.00 C ATOM 771 C GLU A 55 -12.158 -1.645 8.615 1.00 0.00 C ATOM 772 O GLU A 55 -13.273 -2.125 8.668 1.00 0.00 O ATOM 773 CB GLU A 55 -10.401 -2.456 10.146 1.00 0.00 C ATOM 774 CG GLU A 55 -10.267 -0.995 10.589 1.00 0.00 C ATOM 775 CD GLU A 55 -9.393 -0.918 11.843 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.998 -1.964 12.330 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.136 0.185 12.294 1.00 0.00 O ATOM 0 H GLU A 55 -8.905 -2.259 8.028 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.166 -3.547 8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.082 -2.986 10.812 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.435 -2.956 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.826 -0.401 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.252 -0.574 10.793 1.00 0.00 H new ATOM 784 N SER A 56 -11.959 -0.371 8.443 1.00 0.00 N ATOM 785 CA SER A 56 -13.110 0.562 8.295 1.00 0.00 C ATOM 786 C SER A 56 -14.284 -0.206 7.691 1.00 0.00 C ATOM 787 O SER A 56 -15.410 -0.096 8.134 1.00 0.00 O ATOM 788 CB SER A 56 -12.704 1.700 7.359 1.00 0.00 C ATOM 789 OG SER A 56 -12.630 2.909 8.103 1.00 0.00 O ATOM 0 H SER A 56 -11.040 0.069 8.398 1.00 0.00 H new ATOM 0 HA SER A 56 -13.398 0.972 9.263 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.741 1.482 6.898 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.429 1.799 6.551 1.00 0.00 H new ATOM 0 HG SER A 56 -12.751 3.672 7.500 1.00 0.00 H new ATOM 795 N PHE A 57 -14.012 -1.008 6.694 1.00 0.00 N ATOM 796 CA PHE A 57 -15.096 -1.818 6.066 1.00 0.00 C ATOM 797 C PHE A 57 -14.810 -3.299 6.279 1.00 0.00 C ATOM 798 O PHE A 57 -15.163 -3.881 7.285 1.00 0.00 O ATOM 799 CB PHE A 57 -15.164 -1.551 4.566 1.00 0.00 C ATOM 800 CG PHE A 57 -16.239 -2.428 3.960 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.900 -3.406 3.016 1.00 0.00 C ATOM 802 CD2 PHE A 57 -17.575 -2.266 4.347 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.895 -4.220 2.463 1.00 0.00 C ATOM 804 CE2 PHE A 57 -18.570 -3.079 3.791 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.229 -4.057 2.850 1.00 0.00 C ATOM 0 H PHE A 57 -13.085 -1.136 6.288 1.00 0.00 H new ATOM 0 HA PHE A 57 -16.044 -1.541 6.527 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.386 -0.500 4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.200 -1.761 4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.870 -3.532 2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.838 -1.513 5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.632 -4.975 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.600 -2.951 4.088 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.996 -4.686 2.423 1.00 0.00 H new ATOM 815 N ALA A 58 -14.161 -3.902 5.327 1.00 0.00 N ATOM 816 CA ALA A 58 -13.820 -5.352 5.432 1.00 0.00 C ATOM 817 C ALA A 58 -12.304 -5.498 5.340 1.00 0.00 C ATOM 818 O ALA A 58 -11.765 -6.587 5.364 1.00 0.00 O ATOM 819 CB ALA A 58 -14.480 -6.118 4.282 1.00 0.00 C ATOM 0 H ALA A 58 -13.847 -3.450 4.468 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.179 -5.755 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.231 -7.176 4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.562 -5.995 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.118 -5.729 3.330 1.00 0.00 H new ATOM 825 N ASP A 59 -11.617 -4.395 5.236 1.00 0.00 N ATOM 826 CA ASP A 59 -10.135 -4.433 5.144 1.00 0.00 C ATOM 827 C ASP A 59 -9.700 -5.348 3.999 1.00 0.00 C ATOM 828 O ASP A 59 -9.042 -6.345 4.218 1.00 0.00 O ATOM 829 CB ASP A 59 -9.544 -4.948 6.462 1.00 0.00 C ATOM 830 CG ASP A 59 -8.037 -5.159 6.311 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.636 -6.283 6.054 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.308 -4.192 6.461 1.00 0.00 O ATOM 0 H ASP A 59 -12.025 -3.461 5.211 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.771 -3.424 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.741 -4.235 7.262 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.024 -5.885 6.744 1.00 0.00 H new ATOM 837 N HIS A 60 -10.030 -5.016 2.774 1.00 0.00 N ATOM 838 CA HIS A 60 -9.579 -5.884 1.648 1.00 0.00 C ATOM 839 C HIS A 60 -8.092 -6.137 1.863 1.00 0.00 C ATOM 840 O HIS A 60 -7.536 -7.113 1.423 1.00 0.00 O ATOM 841 CB HIS A 60 -9.784 -5.169 0.302 1.00 0.00 C ATOM 842 CG HIS A 60 -10.946 -5.772 -0.444 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.107 -5.056 -0.739 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.135 -7.027 -0.969 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.926 -5.890 -1.409 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.382 -7.094 -1.573 1.00 0.00 N ATOM 0 H HIS A 60 -10.581 -4.199 2.511 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.149 -6.813 1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.964 -4.107 0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.878 -5.247 -0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.422 -7.837 -0.919 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.906 -5.615 -1.770 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.796 -7.898 -2.045 1.00 0.00 H new ATOM 854 N SER A 61 -7.458 -5.243 2.562 1.00 0.00 N ATOM 855 CA SER A 61 -6.006 -5.386 2.848 1.00 0.00 C ATOM 856 C SER A 61 -5.686 -6.825 3.258 1.00 0.00 C ATOM 857 O SER A 61 -4.613 -7.330 2.988 1.00 0.00 O ATOM 858 CB SER A 61 -5.645 -4.440 3.994 1.00 0.00 C ATOM 859 OG SER A 61 -4.286 -4.045 3.872 1.00 0.00 O ATOM 0 H SER A 61 -7.890 -4.406 2.954 1.00 0.00 H new ATOM 0 HA SER A 61 -5.431 -5.142 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.293 -3.564 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.807 -4.934 4.952 1.00 0.00 H new ATOM 0 HG SER A 61 -4.055 -3.437 4.605 1.00 0.00 H new ATOM 865 N THR A 62 -6.595 -7.487 3.916 1.00 0.00 N ATOM 866 CA THR A 62 -6.320 -8.879 4.349 1.00 0.00 C ATOM 867 C THR A 62 -6.735 -9.871 3.269 1.00 0.00 C ATOM 868 O THR A 62 -5.915 -10.571 2.710 1.00 0.00 O ATOM 869 CB THR A 62 -7.107 -9.187 5.617 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.358 -8.515 5.572 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.320 -8.730 6.847 1.00 0.00 C ATOM 0 H THR A 62 -7.513 -7.123 4.171 1.00 0.00 H new ATOM 0 HA THR A 62 -5.250 -8.973 4.534 1.00 0.00 H new ATOM 0 HB THR A 62 -7.273 -10.262 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.277 -7.643 6.011 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.891 -8.954 7.748 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.365 -9.253 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.143 -7.656 6.788 1.00 0.00 H new ATOM 879 N ILE A 63 -8.008 -9.961 2.986 1.00 0.00 N ATOM 880 CA ILE A 63 -8.448 -10.938 1.963 1.00 0.00 C ATOM 881 C ILE A 63 -7.720 -10.655 0.650 1.00 0.00 C ATOM 882 O ILE A 63 -7.426 -11.547 -0.120 1.00 0.00 O ATOM 883 CB ILE A 63 -9.953 -10.854 1.742 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.350 -9.395 1.595 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.687 -11.472 2.933 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.751 -9.300 0.987 1.00 0.00 C ATOM 0 H ILE A 63 -8.749 -9.406 3.415 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.209 -11.942 2.313 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.222 -11.401 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.331 -8.903 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.632 -8.875 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.763 -11.409 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.396 -12.517 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.426 -10.930 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.032 -8.252 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.755 -9.776 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.465 -9.804 1.638 1.00 0.00 H new ATOM 898 N HIS A 64 -7.427 -9.414 0.398 1.00 0.00 N ATOM 899 CA HIS A 64 -6.708 -9.050 -0.858 1.00 0.00 C ATOM 900 C HIS A 64 -5.261 -9.532 -0.772 1.00 0.00 C ATOM 901 O HIS A 64 -4.723 -10.075 -1.717 1.00 0.00 O ATOM 902 CB HIS A 64 -6.718 -7.533 -1.051 1.00 0.00 C ATOM 903 CG HIS A 64 -6.023 -7.205 -2.340 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.714 -6.859 -3.491 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.694 -7.187 -2.679 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.805 -6.652 -4.461 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.559 -6.842 -4.018 1.00 0.00 N ATOM 0 H HIS A 64 -7.654 -8.629 1.009 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.210 -9.523 -1.702 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.743 -7.162 -1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.216 -7.043 -0.216 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.726 -6.776 -3.585 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.877 -7.407 -2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.052 -6.367 -5.473 1.00 0.00 H new ATOM 915 N ALA A 65 -4.627 -9.360 0.358 1.00 0.00 N ATOM 916 CA ALA A 65 -3.221 -9.838 0.492 1.00 0.00 C ATOM 917 C ALA A 65 -3.282 -11.347 0.668 1.00 0.00 C ATOM 918 O ALA A 65 -2.326 -12.067 0.481 1.00 0.00 O ATOM 919 CB ALA A 65 -2.566 -9.196 1.717 1.00 0.00 C ATOM 0 H ALA A 65 -5.018 -8.913 1.187 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.632 -9.570 -0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.539 -9.550 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.567 -8.112 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.124 -9.468 2.613 1.00 0.00 H new ATOM 925 N GLN A 66 -4.430 -11.797 1.052 1.00 0.00 N ATOM 926 CA GLN A 66 -4.684 -13.236 1.295 1.00 0.00 C ATOM 927 C GLN A 66 -5.008 -13.952 -0.022 1.00 0.00 C ATOM 928 O GLN A 66 -4.659 -15.099 -0.219 1.00 0.00 O ATOM 929 CB GLN A 66 -5.904 -13.276 2.207 1.00 0.00 C ATOM 930 CG GLN A 66 -6.507 -14.681 2.314 1.00 0.00 C ATOM 931 CD GLN A 66 -5.992 -15.375 3.578 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.488 -15.139 4.660 1.00 0.00 O ATOM 933 NE2 GLN A 66 -5.009 -16.228 3.483 1.00 0.00 N ATOM 0 H GLN A 66 -5.241 -11.201 1.215 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.816 -13.730 1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.623 -12.927 3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.659 -12.587 1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.595 -14.618 2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.243 -15.267 1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.592 -16.426 2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.658 -16.696 4.318 1.00 0.00 H new ATOM 942 N ALA A 67 -5.699 -13.292 -0.909 1.00 0.00 N ATOM 943 CA ALA A 67 -6.084 -13.936 -2.196 1.00 0.00 C ATOM 944 C ALA A 67 -4.989 -13.721 -3.236 1.00 0.00 C ATOM 945 O ALA A 67 -4.616 -14.622 -3.961 1.00 0.00 O ATOM 946 CB ALA A 67 -7.395 -13.320 -2.694 1.00 0.00 C ATOM 0 H ALA A 67 -6.015 -12.329 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.216 -15.007 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.682 -13.787 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.178 -13.484 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.259 -12.249 -2.847 1.00 0.00 H new ATOM 952 N LYS A 68 -4.485 -12.525 -3.324 1.00 0.00 N ATOM 953 CA LYS A 68 -3.426 -12.231 -4.327 1.00 0.00 C ATOM 954 C LYS A 68 -2.056 -12.356 -3.669 1.00 0.00 C ATOM 955 O LYS A 68 -1.033 -12.106 -4.276 1.00 0.00 O ATOM 956 CB LYS A 68 -3.624 -10.813 -4.857 1.00 0.00 C ATOM 957 CG LYS A 68 -5.051 -10.673 -5.411 1.00 0.00 C ATOM 958 CD LYS A 68 -5.974 -10.088 -4.340 1.00 0.00 C ATOM 959 CE LYS A 68 -7.341 -9.781 -4.956 1.00 0.00 C ATOM 960 NZ LYS A 68 -7.801 -10.954 -5.753 1.00 0.00 N ATOM 0 H LYS A 68 -4.762 -11.734 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.488 -12.939 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.458 -10.088 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.895 -10.600 -5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.047 -10.029 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.423 -11.646 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.085 -10.793 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.538 -9.179 -3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.063 -9.555 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.275 -8.898 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.835 -10.919 -5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.357 -10.930 -6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.532 -11.832 -5.265 1.00 0.00 H new ATOM 974 N LYS A 69 -2.035 -12.750 -2.431 1.00 0.00 N ATOM 975 CA LYS A 69 -0.744 -12.911 -1.712 1.00 0.00 C ATOM 976 C LYS A 69 0.054 -11.603 -1.766 1.00 0.00 C ATOM 977 O LYS A 69 1.236 -11.578 -1.482 1.00 0.00 O ATOM 978 CB LYS A 69 0.064 -14.045 -2.359 1.00 0.00 C ATOM 979 CG LYS A 69 -0.251 -15.377 -1.664 1.00 0.00 C ATOM 980 CD LYS A 69 -1.772 -15.562 -1.540 1.00 0.00 C ATOM 981 CE LYS A 69 -2.111 -17.056 -1.548 1.00 0.00 C ATOM 982 NZ LYS A 69 -1.982 -17.587 -2.933 1.00 0.00 N ATOM 0 H LYS A 69 -2.865 -12.970 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.942 -13.158 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.175 -14.114 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.130 -13.830 -2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.178 -16.203 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.207 -15.397 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.130 -15.103 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.278 -15.060 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.442 -17.595 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.125 -17.212 -1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.532 -18.465 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.342 -16.884 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.981 -17.784 -3.138 1.00 0.00 H new ATOM 996 N HIS A 70 -0.583 -10.510 -2.096 1.00 0.00 N ATOM 997 CA HIS A 70 0.150 -9.209 -2.125 1.00 0.00 C ATOM 998 C HIS A 70 0.371 -8.778 -0.674 1.00 0.00 C ATOM 999 O HIS A 70 -0.558 -8.710 0.107 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.682 -8.172 -2.887 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.723 -8.561 -4.343 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.729 -8.138 -5.197 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.112 -9.344 -5.109 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.478 -8.661 -6.413 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.371 -9.401 -6.410 1.00 0.00 N ATOM 0 H HIS A 70 -1.571 -10.461 -2.345 1.00 0.00 H new ATOM 0 HA HIS A 70 1.110 -9.303 -2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.692 -8.125 -2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.246 -7.180 -2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.004 -9.837 -4.753 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.098 -8.500 -7.283 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.037 -9.904 -7.198 1.00 0.00 H new ATOM 1013 N ASN A 71 1.594 -8.538 -0.284 1.00 0.00 N ATOM 1014 CA ASN A 71 1.860 -8.177 1.137 1.00 0.00 C ATOM 1015 C ASN A 71 1.837 -6.661 1.338 1.00 0.00 C ATOM 1016 O ASN A 71 1.282 -6.164 2.298 1.00 0.00 O ATOM 1017 CB ASN A 71 3.239 -8.718 1.535 1.00 0.00 C ATOM 1018 CG ASN A 71 3.667 -9.816 0.559 1.00 0.00 C ATOM 1019 OD1 ASN A 71 3.322 -10.968 0.731 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.410 -9.504 -0.468 1.00 0.00 N ATOM 0 H ASN A 71 2.417 -8.576 -0.886 1.00 0.00 H new ATOM 0 HA ASN A 71 1.080 -8.615 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.971 -7.911 1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.205 -9.114 2.550 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.701 -10.227 -1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.700 -8.537 -0.613 1.00 0.00 H new ATOM 1027 N LEU A 72 2.475 -5.926 0.475 1.00 0.00 N ATOM 1028 CA LEU A 72 2.536 -4.450 0.660 1.00 0.00 C ATOM 1029 C LEU A 72 1.307 -3.728 0.111 1.00 0.00 C ATOM 1030 O LEU A 72 0.832 -3.989 -0.976 1.00 0.00 O ATOM 1031 CB LEU A 72 3.770 -3.915 -0.051 1.00 0.00 C ATOM 1032 CG LEU A 72 5.028 -4.424 0.649 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.225 -4.194 -0.265 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.243 -3.663 1.963 1.00 0.00 C ATOM 0 H LEU A 72 2.957 -6.282 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 72 2.575 -4.262 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.768 -4.234 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.758 -2.825 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 72 4.917 -5.486 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.130 -4.554 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.078 -4.735 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.324 -3.129 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.143 -4.033 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.356 -2.599 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.384 -3.815 2.616 1.00 0.00 H new ATOM 1046 N THR A 73 0.836 -2.779 0.869 1.00 0.00 N ATOM 1047 CA THR A 73 -0.321 -1.943 0.455 1.00 0.00 C ATOM 1048 C THR A 73 -0.134 -0.584 1.134 1.00 0.00 C ATOM 1049 O THR A 73 0.615 -0.478 2.080 1.00 0.00 O ATOM 1050 CB THR A 73 -1.632 -2.592 0.908 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.709 -1.697 0.665 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.559 -2.910 2.400 1.00 0.00 C ATOM 0 H THR A 73 1.217 -2.543 1.785 1.00 0.00 H new ATOM 0 HA THR A 73 -0.368 -1.838 -0.629 1.00 0.00 H new ATOM 0 HB THR A 73 -1.792 -3.515 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.449 -1.052 -0.026 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.493 -3.372 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.733 -3.596 2.586 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.399 -1.989 2.961 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.769 0.460 0.671 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.546 1.791 1.323 1.00 0.00 C ATOM 1062 C VAL A 74 -1.857 2.383 1.837 1.00 0.00 C ATOM 1063 O VAL A 74 -2.846 2.462 1.136 1.00 0.00 O ATOM 1064 CB VAL A 74 0.103 2.748 0.315 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.600 2.628 -1.039 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.013 4.192 0.816 1.00 0.00 C ATOM 0 H VAL A 74 -1.420 0.455 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 74 0.115 1.651 2.178 1.00 0.00 H new ATOM 0 HB VAL A 74 1.155 2.485 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.136 3.310 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.512 1.605 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.654 2.884 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.450 4.866 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.065 4.453 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.493 4.286 1.777 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.848 2.808 3.074 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.063 3.413 3.682 1.00 0.00 C ATOM 1078 C ASN A 75 -3.136 4.886 3.287 1.00 0.00 C ATOM 1079 O ASN A 75 -2.451 5.723 3.839 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.979 3.292 5.209 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.386 3.336 5.806 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.254 4.015 5.294 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.650 2.637 6.875 1.00 0.00 N ATOM 0 H ASN A 75 -1.039 2.759 3.693 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.954 2.895 3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.486 2.359 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.375 4.103 5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.585 2.660 7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.921 2.067 7.305 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.961 5.207 2.335 1.00 0.00 N ATOM 1091 CA LEU A 76 -4.081 6.625 1.900 1.00 0.00 C ATOM 1092 C LEU A 76 -4.720 7.436 3.023 1.00 0.00 C ATOM 1093 O LEU A 76 -5.120 8.569 2.844 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.939 6.682 0.636 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.463 5.587 -0.344 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.644 4.710 -0.762 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.833 6.216 -1.593 1.00 0.00 C ATOM 0 H LEU A 76 -4.560 4.548 1.837 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.099 7.044 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.989 6.532 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.859 7.664 0.171 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.715 4.977 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.299 3.941 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.077 4.238 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.399 5.325 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.504 5.428 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.570 6.843 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.977 6.825 -1.302 1.00 0.00 H new ATOM 1109 N THR A 77 -4.797 6.859 4.191 1.00 0.00 N ATOM 1110 CA THR A 77 -5.383 7.576 5.353 1.00 0.00 C ATOM 1111 C THR A 77 -4.253 8.241 6.133 1.00 0.00 C ATOM 1112 O THR A 77 -4.384 9.342 6.628 1.00 0.00 O ATOM 1113 CB THR A 77 -6.095 6.571 6.255 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.068 5.877 5.493 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.759 7.310 7.420 1.00 0.00 C ATOM 0 H THR A 77 -4.475 5.912 4.389 1.00 0.00 H new ATOM 0 HA THR A 77 -6.095 8.327 5.012 1.00 0.00 H new ATOM 0 HB THR A 77 -5.378 5.856 6.658 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.663 5.078 5.095 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.267 6.592 8.064 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.999 7.839 7.995 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.484 8.025 7.031 1.00 0.00 H new ATOM 1123 N THR A 78 -3.144 7.561 6.248 1.00 0.00 N ATOM 1124 CA THR A 78 -1.985 8.127 7.006 1.00 0.00 C ATOM 1125 C THR A 78 -0.756 8.264 6.098 1.00 0.00 C ATOM 1126 O THR A 78 0.185 8.956 6.425 1.00 0.00 O ATOM 1127 CB THR A 78 -1.644 7.198 8.170 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.840 6.817 8.836 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.717 7.919 9.149 1.00 0.00 C ATOM 0 H THR A 78 -2.988 6.635 5.849 1.00 0.00 H new ATOM 0 HA THR A 78 -2.260 9.115 7.377 1.00 0.00 H new ATOM 0 HB THR A 78 -1.141 6.309 7.790 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.951 7.359 9.645 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.475 7.254 9.978 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.200 8.207 8.636 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.214 8.810 9.532 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.757 7.616 4.965 1.00 0.00 N ATOM 1138 CA PHE A 79 0.412 7.716 4.037 1.00 0.00 C ATOM 1139 C PHE A 79 1.553 6.805 4.512 1.00 0.00 C ATOM 1140 O PHE A 79 2.681 7.228 4.662 1.00 0.00 O ATOM 1141 CB PHE A 79 0.903 9.169 3.966 1.00 0.00 C ATOM 1142 CG PHE A 79 1.479 9.448 2.596 1.00 0.00 C ATOM 1143 CD1 PHE A 79 0.660 9.965 1.585 1.00 0.00 C ATOM 1144 CD2 PHE A 79 2.831 9.191 2.338 1.00 0.00 C ATOM 1145 CE1 PHE A 79 1.192 10.225 0.317 1.00 0.00 C ATOM 1146 CE2 PHE A 79 3.362 9.449 1.070 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.543 9.966 0.059 1.00 0.00 C ATOM 0 H PHE A 79 -1.517 7.020 4.639 1.00 0.00 H new ATOM 0 HA PHE A 79 0.096 7.395 3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.078 9.852 4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.659 9.345 4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.383 10.163 1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.464 8.794 3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.560 10.625 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.404 9.249 0.871 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.954 10.165 -0.920 1.00 0.00 H new ATOM 1157 N ARG A 80 1.267 5.549 4.713 1.00 0.00 N ATOM 1158 CA ARG A 80 2.317 4.582 5.134 1.00 0.00 C ATOM 1159 C ARG A 80 2.010 3.263 4.438 1.00 0.00 C ATOM 1160 O ARG A 80 1.050 3.159 3.702 1.00 0.00 O ATOM 1161 CB ARG A 80 2.313 4.380 6.659 1.00 0.00 C ATOM 1162 CG ARG A 80 1.005 4.896 7.275 1.00 0.00 C ATOM 1163 CD ARG A 80 0.737 4.144 8.583 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.459 4.712 9.269 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.530 4.728 10.575 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -1.584 5.224 11.161 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.447 4.245 11.294 1.00 0.00 N ATOM 0 H ARG A 80 0.336 5.147 4.602 1.00 0.00 H new ATOM 0 HA ARG A 80 3.303 4.959 4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.436 3.322 6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.160 4.904 7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.075 5.967 7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.178 4.749 6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.578 3.086 8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.607 4.214 9.236 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.228 5.091 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.350 5.598 10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.642 5.238 12.179 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.271 3.853 10.838 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.387 4.260 12.312 1.00 0.00 H new ATOM 1181 N LEU A 81 2.802 2.257 4.650 1.00 0.00 N ATOM 1182 CA LEU A 81 2.532 0.957 3.978 1.00 0.00 C ATOM 1183 C LEU A 81 2.223 -0.111 5.016 1.00 0.00 C ATOM 1184 O LEU A 81 2.312 0.108 6.206 1.00 0.00 O ATOM 1185 CB LEU A 81 3.761 0.545 3.160 1.00 0.00 C ATOM 1186 CG LEU A 81 3.665 1.114 1.738 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.055 1.557 1.268 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.113 0.052 0.768 1.00 0.00 C ATOM 0 H LEU A 81 3.622 2.275 5.256 1.00 0.00 H new ATOM 0 HA LEU A 81 1.672 1.064 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.668 0.908 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.833 -0.542 3.121 1.00 0.00 H new ATOM 0 HG LEU A 81 2.988 1.968 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.986 1.961 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.439 2.324 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.730 0.701 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.052 0.473 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.777 -0.813 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.120 -0.257 1.093 1.00 0.00 H new ATOM 1200 N TRP A 82 1.862 -1.267 4.555 1.00 0.00 N ATOM 1201 CA TRP A 82 1.543 -2.387 5.474 1.00 0.00 C ATOM 1202 C TRP A 82 1.901 -3.686 4.765 1.00 0.00 C ATOM 1203 O TRP A 82 1.284 -4.061 3.787 1.00 0.00 O ATOM 1204 CB TRP A 82 0.052 -2.376 5.812 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.288 -3.593 6.612 1.00 0.00 C ATOM 1206 CD1 TRP A 82 -0.488 -4.829 6.100 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.471 -3.711 8.053 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.782 -5.698 7.135 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.784 -5.057 8.358 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -0.396 -2.791 9.113 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.013 -5.474 9.669 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -0.628 -3.208 10.434 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -0.936 -4.547 10.711 1.00 0.00 C ATOM 0 H TRP A 82 1.772 -1.489 3.563 1.00 0.00 H new ATOM 0 HA TRP A 82 2.107 -2.289 6.402 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.197 -1.477 6.375 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.539 -2.353 4.896 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.428 -5.094 5.055 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -0.974 -6.692 7.010 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -0.159 -1.757 8.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.248 -6.507 9.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.569 -2.493 11.241 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -1.114 -4.862 11.729 1.00 0.00 H new ATOM 1224 N CYS A 83 2.910 -4.362 5.228 1.00 0.00 N ATOM 1225 CA CYS A 83 3.323 -5.619 4.563 1.00 0.00 C ATOM 1226 C CYS A 83 2.666 -6.810 5.239 1.00 0.00 C ATOM 1227 O CYS A 83 3.027 -7.174 6.331 1.00 0.00 O ATOM 1228 CB CYS A 83 4.839 -5.764 4.673 1.00 0.00 C ATOM 1229 SG CYS A 83 5.471 -6.513 3.158 1.00 0.00 S ATOM 0 H CYS A 83 3.467 -4.096 6.040 1.00 0.00 H new ATOM 0 HA CYS A 83 3.018 -5.586 3.517 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.300 -4.789 4.831 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.096 -6.381 5.534 1.00 0.00 H new ATOM 1234 N TYR A 84 1.733 -7.450 4.598 1.00 0.00 N ATOM 1235 CA TYR A 84 1.121 -8.641 5.237 1.00 0.00 C ATOM 1236 C TYR A 84 2.192 -9.730 5.260 1.00 0.00 C ATOM 1237 O TYR A 84 1.972 -10.836 5.713 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.103 -9.109 4.438 1.00 0.00 C ATOM 1239 CG TYR A 84 -0.970 -9.987 5.310 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.743 -9.416 6.328 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -0.999 -11.372 5.102 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.545 -10.230 7.138 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -1.801 -12.185 5.911 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.575 -11.614 6.929 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.366 -12.416 7.727 1.00 0.00 O ATOM 0 H TYR A 84 1.373 -7.206 3.675 1.00 0.00 H new ATOM 0 HA TYR A 84 0.780 -8.409 6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.674 -8.248 4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.216 -9.659 3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.721 -8.348 6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.402 -11.813 4.317 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.141 -9.790 7.924 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.823 -13.253 5.750 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.271 -13.351 7.448 1.00 0.00 H new ATOM 1255 N ALA A 85 3.371 -9.393 4.794 1.00 0.00 N ATOM 1256 CA ALA A 85 4.499 -10.359 4.799 1.00 0.00 C ATOM 1257 C ALA A 85 5.385 -10.003 5.989 1.00 0.00 C ATOM 1258 O ALA A 85 5.396 -10.691 6.990 1.00 0.00 O ATOM 1259 CB ALA A 85 5.303 -10.245 3.503 1.00 0.00 C ATOM 0 H ALA A 85 3.596 -8.476 4.407 1.00 0.00 H new ATOM 0 HA ALA A 85 4.129 -11.381 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.126 -10.959 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.655 -10.460 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.701 -9.235 3.410 1.00 0.00 H new ATOM 1265 N CYS A 86 6.080 -8.891 5.923 1.00 0.00 N ATOM 1266 CA CYS A 86 6.886 -8.476 7.085 1.00 0.00 C ATOM 1267 C CYS A 86 5.876 -8.221 8.193 1.00 0.00 C ATOM 1268 O CYS A 86 6.204 -8.070 9.353 1.00 0.00 O ATOM 1269 CB CYS A 86 7.661 -7.197 6.740 1.00 0.00 C ATOM 1270 SG CYS A 86 8.586 -7.443 5.201 1.00 0.00 S ATOM 0 H CYS A 86 6.116 -8.267 5.117 1.00 0.00 H new ATOM 0 HA CYS A 86 7.621 -9.225 7.381 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.971 -6.360 6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.345 -6.944 7.551 1.00 0.00 H new ATOM 1275 N GLU A 87 4.625 -8.197 7.807 1.00 0.00 N ATOM 1276 CA GLU A 87 3.519 -7.976 8.773 1.00 0.00 C ATOM 1277 C GLU A 87 3.850 -6.778 9.664 1.00 0.00 C ATOM 1278 O GLU A 87 3.992 -6.890 10.865 1.00 0.00 O ATOM 1279 CB GLU A 87 3.328 -9.253 9.593 1.00 0.00 C ATOM 1280 CG GLU A 87 1.920 -9.816 9.369 1.00 0.00 C ATOM 1281 CD GLU A 87 0.894 -8.928 10.074 1.00 0.00 C ATOM 1282 OE1 GLU A 87 0.970 -7.721 9.908 1.00 0.00 O ATOM 1283 OE2 GLU A 87 0.050 -9.468 10.770 1.00 0.00 O ATOM 0 H GLU A 87 4.323 -8.325 6.841 1.00 0.00 H new ATOM 0 HA GLU A 87 2.588 -7.753 8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.074 -9.994 9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.479 -9.041 10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.702 -9.864 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.859 -10.834 9.753 1.00 0.00 H new ATOM 1290 N LYS A 88 3.972 -5.623 9.067 1.00 0.00 N ATOM 1291 CA LYS A 88 4.290 -4.400 9.852 1.00 0.00 C ATOM 1292 C LYS A 88 3.935 -3.169 9.016 1.00 0.00 C ATOM 1293 O LYS A 88 3.291 -3.275 7.994 1.00 0.00 O ATOM 1294 CB LYS A 88 5.784 -4.382 10.211 1.00 0.00 C ATOM 1295 CG LYS A 88 6.606 -5.049 9.094 1.00 0.00 C ATOM 1296 CD LYS A 88 7.956 -5.550 9.653 1.00 0.00 C ATOM 1297 CE LYS A 88 9.117 -4.816 8.973 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.174 -3.411 9.470 1.00 0.00 N ATOM 0 H LYS A 88 3.864 -5.475 8.064 1.00 0.00 H new ATOM 0 HA LYS A 88 3.711 -4.394 10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.119 -3.355 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.946 -4.905 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.047 -5.883 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.780 -4.338 8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.995 -5.387 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.050 -6.624 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.057 -5.326 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.984 -4.826 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.961 -2.912 9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.280 -2.928 9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.320 -3.413 10.500 1.00 0.00 H new ATOM 1312 N GLU A 89 4.344 -2.007 9.445 1.00 0.00 N ATOM 1313 CA GLU A 89 4.024 -0.762 8.680 1.00 0.00 C ATOM 1314 C GLU A 89 5.327 -0.121 8.200 1.00 0.00 C ATOM 1315 O GLU A 89 6.334 -0.176 8.877 1.00 0.00 O ATOM 1316 CB GLU A 89 3.270 0.211 9.603 1.00 0.00 C ATOM 1317 CG GLU A 89 1.967 0.673 8.940 1.00 0.00 C ATOM 1318 CD GLU A 89 1.007 1.196 10.011 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.473 1.856 10.925 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.177 0.927 9.899 1.00 0.00 O ATOM 0 H GLU A 89 4.888 -1.863 10.295 1.00 0.00 H new ATOM 0 HA GLU A 89 3.401 -0.999 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.050 -0.276 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.899 1.073 9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.175 1.455 8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.509 -0.155 8.398 1.00 0.00 H new ATOM 1327 N VAL A 90 5.329 0.483 7.038 1.00 0.00 N ATOM 1328 CA VAL A 90 6.590 1.110 6.550 1.00 0.00 C ATOM 1329 C VAL A 90 6.268 2.299 5.640 1.00 0.00 C ATOM 1330 O VAL A 90 5.292 2.306 4.925 1.00 0.00 O ATOM 1331 CB VAL A 90 7.418 0.063 5.778 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.511 -0.508 6.686 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.502 -1.077 5.318 1.00 0.00 C ATOM 0 H VAL A 90 4.525 0.567 6.416 1.00 0.00 H new ATOM 0 HA VAL A 90 7.167 1.469 7.402 1.00 0.00 H new ATOM 0 HB VAL A 90 7.877 0.540 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.092 -1.247 6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.167 0.297 7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.052 -0.981 7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.088 -1.817 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.042 -1.547 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.724 -0.678 4.667 1.00 0.00 H new ATOM 1343 N PHE A 91 7.095 3.302 5.663 1.00 0.00 N ATOM 1344 CA PHE A 91 6.868 4.498 4.802 1.00 0.00 C ATOM 1345 C PHE A 91 7.825 4.439 3.627 1.00 0.00 C ATOM 1346 O PHE A 91 8.757 3.660 3.615 1.00 0.00 O ATOM 1347 CB PHE A 91 7.182 5.776 5.574 1.00 0.00 C ATOM 1348 CG PHE A 91 6.260 5.907 6.763 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.400 5.046 7.858 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.266 6.895 6.773 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.548 5.172 8.962 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.414 7.020 7.877 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.554 6.158 8.971 1.00 0.00 C ATOM 0 H PHE A 91 7.930 3.347 6.248 1.00 0.00 H new ATOM 0 HA PHE A 91 5.827 4.502 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.219 5.762 5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.070 6.641 4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.166 4.284 7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.157 7.560 5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.658 4.508 9.807 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.648 7.782 7.885 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.896 6.253 9.822 1.00 0.00 H new ATOM 1363 N LEU A 92 7.632 5.276 2.649 1.00 0.00 N ATOM 1364 CA LEU A 92 8.569 5.274 1.509 1.00 0.00 C ATOM 1365 C LEU A 92 9.985 5.317 2.078 1.00 0.00 C ATOM 1366 O LEU A 92 10.230 5.894 3.120 1.00 0.00 O ATOM 1367 CB LEU A 92 8.324 6.505 0.632 1.00 0.00 C ATOM 1368 CG LEU A 92 6.821 6.682 0.400 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.593 7.785 -0.634 1.00 0.00 C ATOM 1370 CD2 LEU A 92 6.223 5.369 -0.116 1.00 0.00 C ATOM 0 H LEU A 92 6.871 5.954 2.594 1.00 0.00 H new ATOM 0 HA LEU A 92 8.427 4.383 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.735 7.393 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.838 6.392 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 92 6.339 6.956 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.523 7.912 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.017 8.720 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.076 7.510 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.153 5.496 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.704 5.094 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.386 4.581 0.620 1.00 0.00 H new ATOM 1382 N GLU A 93 10.907 4.700 1.416 1.00 0.00 N ATOM 1383 CA GLU A 93 12.315 4.680 1.906 1.00 0.00 C ATOM 1384 C GLU A 93 12.781 6.100 2.256 1.00 0.00 C ATOM 1385 O GLU A 93 13.916 6.308 2.638 1.00 0.00 O ATOM 1386 CB GLU A 93 13.210 4.099 0.813 1.00 0.00 C ATOM 1387 CG GLU A 93 12.901 4.795 -0.514 1.00 0.00 C ATOM 1388 CD GLU A 93 13.593 4.050 -1.657 1.00 0.00 C ATOM 1389 OE1 GLU A 93 14.790 3.837 -1.561 1.00 0.00 O ATOM 1390 OE2 GLU A 93 12.913 3.705 -2.609 1.00 0.00 O ATOM 0 H GLU A 93 10.751 4.198 0.542 1.00 0.00 H new ATOM 0 HA GLU A 93 12.375 4.066 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.259 4.237 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.043 3.026 0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.824 4.819 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.242 5.830 -0.482 1.00 0.00 H new ATOM 1397 N GLN A 94 11.919 7.077 2.134 1.00 0.00 N ATOM 1398 CA GLN A 94 12.310 8.479 2.467 1.00 0.00 C ATOM 1399 C GLN A 94 13.428 8.955 1.534 1.00 0.00 C ATOM 1400 O GLN A 94 13.639 10.141 1.368 1.00 0.00 O ATOM 1401 CB GLN A 94 12.794 8.550 3.917 1.00 0.00 C ATOM 1402 CG GLN A 94 11.855 7.737 4.810 1.00 0.00 C ATOM 1403 CD GLN A 94 12.110 8.094 6.276 1.00 0.00 C ATOM 1404 OE1 GLN A 94 13.221 7.991 6.754 1.00 0.00 O ATOM 1405 NE2 GLN A 94 11.118 8.512 7.014 1.00 0.00 N ATOM 0 H GLN A 94 10.956 6.963 1.816 1.00 0.00 H new ATOM 0 HA GLN A 94 11.441 9.124 2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.810 8.162 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.823 9.587 4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.817 7.945 4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.017 6.671 4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.184 8.599 6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.276 8.752 7.993 1.00 0.00 H new ATOM 1414 N ARG A 95 14.148 8.053 0.922 1.00 0.00 N ATOM 1415 CA ARG A 95 15.245 8.480 0.006 1.00 0.00 C ATOM 1416 C ARG A 95 14.717 9.571 -0.926 1.00 0.00 C ATOM 1417 O ARG A 95 15.437 10.458 -1.337 1.00 0.00 O ATOM 1418 CB ARG A 95 15.739 7.265 -0.802 1.00 0.00 C ATOM 1419 CG ARG A 95 14.977 7.135 -2.133 1.00 0.00 C ATOM 1420 CD ARG A 95 15.586 8.064 -3.198 1.00 0.00 C ATOM 1421 NE ARG A 95 16.336 7.245 -4.196 1.00 0.00 N ATOM 1422 CZ ARG A 95 17.612 7.009 -4.031 1.00 0.00 C ATOM 1423 NH1 ARG A 95 18.258 6.291 -4.909 1.00 0.00 N ATOM 1424 NH2 ARG A 95 18.243 7.489 -2.994 1.00 0.00 N ATOM 0 H ARG A 95 14.025 7.045 1.016 1.00 0.00 H new ATOM 0 HA ARG A 95 16.082 8.878 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.806 7.366 -0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.608 6.356 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.013 6.102 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.927 7.384 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.799 8.632 -3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.253 8.787 -2.728 1.00 0.00 H new ATOM 0 HE ARG A 95 15.851 6.868 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.768 5.916 -5.721 1.00 0.00 H new ATOM 0 HH12 ARG A 95 19.253 6.105 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.741 8.051 -2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.238 7.302 -2.871 1.00 0.00 H new ATOM 1438 N LEU A 96 13.459 9.506 -1.256 1.00 0.00 N ATOM 1439 CA LEU A 96 12.862 10.530 -2.160 1.00 0.00 C ATOM 1440 C LEU A 96 12.113 11.569 -1.325 1.00 0.00 C ATOM 1441 O LEU A 96 12.043 11.476 -0.116 1.00 0.00 O ATOM 1442 CB LEU A 96 11.886 9.854 -3.131 1.00 0.00 C ATOM 1443 CG LEU A 96 10.833 9.044 -2.350 1.00 0.00 C ATOM 1444 CD1 LEU A 96 9.532 9.845 -2.240 1.00 0.00 C ATOM 1445 CD2 LEU A 96 10.549 7.729 -3.084 1.00 0.00 C ATOM 0 H LEU A 96 12.813 8.784 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 96 13.654 11.019 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.393 10.607 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.432 9.197 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 96 11.217 8.836 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.793 9.265 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.724 10.781 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.151 10.059 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.804 7.157 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.172 7.944 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.469 7.149 -3.160 1.00 0.00 H new ATOM 1457 N ALA A 97 11.554 12.560 -1.961 1.00 0.00 N ATOM 1458 CA ALA A 97 10.808 13.608 -1.206 1.00 0.00 C ATOM 1459 C ALA A 97 9.681 14.160 -2.078 1.00 0.00 C ATOM 1460 O ALA A 97 9.227 15.272 -1.894 1.00 0.00 O ATOM 1461 CB ALA A 97 11.763 14.741 -0.826 1.00 0.00 C ATOM 0 H ALA A 97 11.581 12.691 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 97 10.385 13.172 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.218 15.507 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.565 14.347 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.187 15.178 -1.730 1.00 0.00 H new ATOM 1467 N ALA A 98 9.222 13.389 -3.025 1.00 0.00 N ATOM 1468 CA ALA A 98 8.120 13.863 -3.911 1.00 0.00 C ATOM 1469 C ALA A 98 8.404 15.298 -4.362 1.00 0.00 C ATOM 1470 O ALA A 98 7.736 16.228 -3.956 1.00 0.00 O ATOM 1471 CB ALA A 98 6.796 13.821 -3.146 1.00 0.00 C ATOM 0 H ALA A 98 9.563 12.449 -3.224 1.00 0.00 H new ATOM 0 HA ALA A 98 8.056 13.215 -4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.991 14.167 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.592 12.799 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.861 14.467 -2.270 1.00 0.00 H new ATOM 1477 N PRO A 99 9.393 15.472 -5.198 1.00 0.00 N ATOM 1478 CA PRO A 99 9.782 16.814 -5.720 1.00 0.00 C ATOM 1479 C PRO A 99 8.575 17.612 -6.225 1.00 0.00 C ATOM 1480 O PRO A 99 8.589 18.824 -6.082 1.00 0.00 O ATOM 1481 CB PRO A 99 10.738 16.491 -6.872 1.00 0.00 C ATOM 1482 CG PRO A 99 11.318 15.155 -6.536 1.00 0.00 C ATOM 1483 CD PRO A 99 10.249 14.404 -5.738 1.00 0.00 C ATOM 1484 OXT PRO A 99 7.659 16.997 -6.747 1.00 0.00 O ATOM 0 HA PRO A 99 10.230 17.438 -4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.211 16.463 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.517 17.248 -6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.582 14.608 -7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.232 15.265 -5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 99 9.683 13.721 -6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.692 13.806 -4.941 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.745 -6.748 3.161 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.920 -3.327 -0.118 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -2.835 -6.499 -4.962 1.00 0.00 ZN