USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 768 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 14 HIS : no HE2:sc= -1.07 K(o=-3.7,f=-6.7) USER MOD Set 1.2: A 86 SER OG : rot 92:sc= 0.0563 USER MOD Set 1.3: A 91 HIS : no HE2:sc= -2.7 K(o=-3.7,f=-6.5!) USER MOD Set 2.1: A 20 GLN :FLIP amide:sc= 0.489 F(o=-0.14,f=1) USER MOD Set 2.2: A 90 TYR OH : rot 76:sc= 0.537 USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0256 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 0.22 (180deg=-0.52) USER MOD Single : A 12 CYS SG : rot 180:sc= -6.18! USER MOD Single : A 13 SER OG : rot 69:sc= -0.584 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -151:sc= -0.0631 (180deg=-0.522) USER MOD Single : A 27 GLN : amide:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -175:sc= -2.04! USER MOD Single : A 49 SER OG : rot 110:sc= -1.2 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -69:sc= 1.11 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 172:sc= 0 (180deg=-0.115) USER MOD Single : A 66 LYS NZ :NH3+ 128:sc= -0.217 (180deg=-0.892) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -90:sc= -0.715 USER MOD Single : A 85 LYS NZ :NH3+ -108:sc= -0.705 (180deg=-2.12!) USER MOD Single : A 94 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.165) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.351 0.488 5.484 1.00 0.00 N ATOM 2 CA GLY A 1 23.559 1.133 4.402 1.00 0.00 C ATOM 3 C GLY A 1 23.970 2.573 4.159 1.00 0.00 C ATOM 4 O GLY A 1 24.429 3.251 5.079 1.00 0.00 O ATOM 0 H1 GLY A 1 23.707 0.018 6.153 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.995 -0.216 5.070 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.905 1.211 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.679 0.564 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.501 1.100 4.662 1.00 0.00 H new ATOM 10 N PRO A 2 23.818 3.072 2.920 1.00 0.00 N ATOM 11 CA PRO A 2 24.182 4.450 2.574 1.00 0.00 C ATOM 12 C PRO A 2 23.552 5.469 3.515 1.00 0.00 C ATOM 13 O PRO A 2 22.711 5.126 4.346 1.00 0.00 O ATOM 14 CB PRO A 2 23.631 4.619 1.157 1.00 0.00 C ATOM 15 CG PRO A 2 23.587 3.239 0.600 1.00 0.00 C ATOM 16 CD PRO A 2 23.279 2.334 1.762 1.00 0.00 C ATOM 0 HA PRO A 2 25.256 4.618 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 2 22.640 5.073 1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 2 24.271 5.267 0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 2 22.824 3.154 -0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 2 24.539 2.973 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.208 2.157 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.754 1.359 1.650 1.00 0.00 H new ATOM 24 N MET A 3 23.964 6.727 3.380 1.00 0.00 N ATOM 25 CA MET A 3 23.437 7.798 4.219 1.00 0.00 C ATOM 26 C MET A 3 22.619 8.784 3.392 1.00 0.00 C ATOM 27 O MET A 3 23.039 9.203 2.314 1.00 0.00 O ATOM 28 CB MET A 3 24.582 8.527 4.926 1.00 0.00 C ATOM 29 CG MET A 3 24.453 8.538 6.441 1.00 0.00 C ATOM 30 SD MET A 3 25.704 9.564 7.238 1.00 0.00 S ATOM 31 CE MET A 3 24.671 10.726 8.128 1.00 0.00 C ATOM 0 H MET A 3 24.660 7.029 2.698 1.00 0.00 H new ATOM 0 HA MET A 3 22.782 7.353 4.968 1.00 0.00 H new ATOM 0 HB2 MET A 3 25.526 8.054 4.653 1.00 0.00 H new ATOM 0 HB3 MET A 3 24.625 9.555 4.566 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.462 8.901 6.715 1.00 0.00 H new ATOM 0 HG3 MET A 3 24.533 7.518 6.816 1.00 0.00 H new ATOM 0 HE1 MET A 3 25.301 11.429 8.673 1.00 0.00 H new ATOM 0 HE2 MET A 3 24.045 11.271 7.422 1.00 0.00 H new ATOM 0 HE3 MET A 3 24.038 10.185 8.831 1.00 0.00 H new ATOM 41 N GLY A 4 21.449 9.151 3.904 1.00 0.00 N ATOM 42 CA GLY A 4 20.591 10.085 3.200 1.00 0.00 C ATOM 43 C GLY A 4 19.580 9.388 2.312 1.00 0.00 C ATOM 44 O GLY A 4 19.524 9.638 1.108 1.00 0.00 O ATOM 0 H GLY A 4 21.080 8.818 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.066 10.707 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.205 10.751 2.593 1.00 0.00 H new ATOM 48 N SER A 5 18.780 8.509 2.906 1.00 0.00 N ATOM 49 CA SER A 5 17.767 7.772 2.160 1.00 0.00 C ATOM 50 C SER A 5 16.457 8.551 2.108 1.00 0.00 C ATOM 51 O SER A 5 16.137 9.312 3.022 1.00 0.00 O ATOM 52 CB SER A 5 17.533 6.400 2.797 1.00 0.00 C ATOM 53 OG SER A 5 18.412 5.429 2.255 1.00 0.00 O ATOM 0 H SER A 5 18.814 8.290 3.902 1.00 0.00 H new ATOM 0 HA SER A 5 18.129 7.635 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.680 6.466 3.875 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.500 6.091 2.634 1.00 0.00 H new ATOM 0 HG SER A 5 18.244 4.562 2.680 1.00 0.00 H new ATOM 59 N MET A 6 15.701 8.356 1.032 1.00 0.00 N ATOM 60 CA MET A 6 14.424 9.041 0.859 1.00 0.00 C ATOM 61 C MET A 6 13.265 8.051 0.909 1.00 0.00 C ATOM 62 O MET A 6 13.208 7.108 0.120 1.00 0.00 O ATOM 63 CB MET A 6 14.405 9.803 -0.468 1.00 0.00 C ATOM 64 CG MET A 6 13.477 11.006 -0.465 1.00 0.00 C ATOM 65 SD MET A 6 13.898 12.211 -1.738 1.00 0.00 S ATOM 66 CE MET A 6 12.517 13.342 -1.602 1.00 0.00 C ATOM 0 H MET A 6 15.950 7.729 0.267 1.00 0.00 H new ATOM 0 HA MET A 6 14.307 9.751 1.678 1.00 0.00 H new ATOM 0 HB2 MET A 6 15.417 10.135 -0.701 1.00 0.00 H new ATOM 0 HB3 MET A 6 14.102 9.123 -1.264 1.00 0.00 H new ATOM 0 HG2 MET A 6 12.451 10.669 -0.614 1.00 0.00 H new ATOM 0 HG3 MET A 6 13.515 11.487 0.512 1.00 0.00 H new ATOM 0 HE1 MET A 6 12.633 14.147 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 6 11.588 12.807 -1.798 1.00 0.00 H new ATOM 0 HE3 MET A 6 12.488 13.762 -0.597 1.00 0.00 H new ATOM 76 N ALA A 7 12.344 8.272 1.841 1.00 0.00 N ATOM 77 CA ALA A 7 11.186 7.399 1.993 1.00 0.00 C ATOM 78 C ALA A 7 9.900 8.208 2.112 1.00 0.00 C ATOM 79 O ALA A 7 8.978 7.824 2.834 1.00 0.00 O ATOM 80 CB ALA A 7 11.361 6.499 3.207 1.00 0.00 C ATOM 0 H ALA A 7 12.377 9.048 2.502 1.00 0.00 H new ATOM 0 HA ALA A 7 11.110 6.777 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.490 5.852 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.254 5.887 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.465 7.112 4.102 1.00 0.00 H new ATOM 86 N ASP A 8 9.840 9.328 1.396 1.00 0.00 N ATOM 87 CA ASP A 8 8.661 10.188 1.420 1.00 0.00 C ATOM 88 C ASP A 8 7.404 9.391 1.081 1.00 0.00 C ATOM 89 O ASP A 8 6.307 9.719 1.534 1.00 0.00 O ATOM 90 CB ASP A 8 8.829 11.347 0.431 1.00 0.00 C ATOM 91 CG ASP A 8 8.849 12.698 1.122 1.00 0.00 C ATOM 92 OD1 ASP A 8 9.777 12.943 1.921 1.00 0.00 O ATOM 93 OD2 ASP A 8 7.935 13.509 0.863 1.00 0.00 O ATOM 0 H ASP A 8 10.593 9.660 0.793 1.00 0.00 H new ATOM 0 HA ASP A 8 8.554 10.593 2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.756 11.214 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.015 11.324 -0.293 1.00 0.00 H new ATOM 98 N LYS A 9 7.576 8.349 0.277 1.00 0.00 N ATOM 99 CA LYS A 9 6.476 7.504 -0.136 1.00 0.00 C ATOM 100 C LYS A 9 6.179 6.420 0.877 1.00 0.00 C ATOM 101 O LYS A 9 6.888 6.252 1.870 1.00 0.00 O ATOM 102 CB LYS A 9 6.805 6.847 -1.466 1.00 0.00 C ATOM 103 CG LYS A 9 6.920 7.819 -2.617 1.00 0.00 C ATOM 104 CD LYS A 9 8.194 8.638 -2.527 1.00 0.00 C ATOM 105 CE LYS A 9 8.815 8.844 -3.896 1.00 0.00 C ATOM 106 NZ LYS A 9 10.277 8.559 -3.894 1.00 0.00 N ATOM 0 H LYS A 9 8.481 8.071 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 9 5.596 8.141 -0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.744 6.302 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.033 6.113 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.904 7.272 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.057 8.485 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.976 9.606 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.907 8.135 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.320 8.196 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.646 9.871 -4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.662 8.712 -4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.754 9.194 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.438 7.572 -3.610 1.00 0.00 H new ATOM 120 N ILE A 10 5.134 5.673 0.582 1.00 0.00 N ATOM 121 CA ILE A 10 4.718 4.565 1.417 1.00 0.00 C ATOM 122 C ILE A 10 4.763 3.301 0.593 1.00 0.00 C ATOM 123 O ILE A 10 4.403 3.295 -0.584 1.00 0.00 O ATOM 124 CB ILE A 10 3.301 4.742 2.002 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.792 6.160 1.773 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.300 4.409 3.488 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.358 6.359 2.205 1.00 0.00 C ATOM 0 H ILE A 10 4.550 5.817 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 10 5.403 4.517 2.264 1.00 0.00 H new ATOM 0 HB ILE A 10 2.629 4.055 1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.428 6.859 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.882 6.404 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.295 4.538 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.618 3.376 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.987 5.075 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.060 7.390 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.712 5.685 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.266 6.146 3.270 1.00 0.00 H new ATOM 139 N LYS A 11 5.227 2.241 1.207 1.00 0.00 N ATOM 140 CA LYS A 11 5.348 0.972 0.522 1.00 0.00 C ATOM 141 C LYS A 11 4.342 -0.026 1.072 1.00 0.00 C ATOM 142 O LYS A 11 4.543 -0.615 2.132 1.00 0.00 O ATOM 143 CB LYS A 11 6.784 0.469 0.644 1.00 0.00 C ATOM 144 CG LYS A 11 7.820 1.570 0.405 1.00 0.00 C ATOM 145 CD LYS A 11 8.931 1.524 1.442 1.00 0.00 C ATOM 146 CE LYS A 11 10.150 0.782 0.918 1.00 0.00 C ATOM 147 NZ LYS A 11 11.387 1.605 1.021 1.00 0.00 N ATOM 0 H LYS A 11 5.528 2.229 2.181 1.00 0.00 H new ATOM 0 HA LYS A 11 5.122 1.098 -0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.933 0.046 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.944 -0.336 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.247 1.459 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.331 2.544 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.213 2.539 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.567 1.036 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.281 -0.143 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.985 0.502 -0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.204 0.984 1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.528 2.132 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.294 2.275 1.811 1.00 0.00 H new ATOM 161 N CYS A 12 3.237 -0.172 0.347 1.00 0.00 N ATOM 162 CA CYS A 12 2.152 -1.059 0.746 1.00 0.00 C ATOM 163 C CYS A 12 1.749 -1.976 -0.412 1.00 0.00 C ATOM 164 O CYS A 12 2.324 -1.918 -1.494 1.00 0.00 O ATOM 165 CB CYS A 12 0.959 -0.213 1.211 1.00 0.00 C ATOM 166 SG CYS A 12 -0.115 -0.996 2.433 1.00 0.00 S ATOM 0 H CYS A 12 3.070 0.320 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 12 2.486 -1.693 1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.338 0.720 1.629 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.359 0.049 0.339 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.081 -0.184 2.746 1.00 0.00 H new ATOM 172 N SER A 13 0.762 -2.828 -0.166 1.00 0.00 N ATOM 173 CA SER A 13 0.265 -3.760 -1.173 1.00 0.00 C ATOM 174 C SER A 13 -1.208 -3.472 -1.453 1.00 0.00 C ATOM 175 O SER A 13 -1.864 -2.779 -0.676 1.00 0.00 O ATOM 176 CB SER A 13 0.444 -5.203 -0.694 1.00 0.00 C ATOM 177 OG SER A 13 -0.458 -6.075 -1.352 1.00 0.00 O ATOM 0 H SER A 13 0.284 -2.893 0.733 1.00 0.00 H new ATOM 0 HA SER A 13 0.835 -3.631 -2.093 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.468 -5.527 -0.880 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.284 -5.254 0.383 1.00 0.00 H new ATOM 0 HG SER A 13 -0.211 -6.148 -2.298 1.00 0.00 H new ATOM 183 N HIS A 14 -1.732 -3.987 -2.563 1.00 0.00 N ATOM 184 CA HIS A 14 -3.131 -3.751 -2.911 1.00 0.00 C ATOM 185 C HIS A 14 -3.803 -5.013 -3.449 1.00 0.00 C ATOM 186 O HIS A 14 -3.204 -5.782 -4.200 1.00 0.00 O ATOM 187 CB HIS A 14 -3.233 -2.621 -3.939 1.00 0.00 C ATOM 188 CG HIS A 14 -4.612 -2.423 -4.490 1.00 0.00 C ATOM 189 ND1 HIS A 14 -4.878 -2.365 -5.840 1.00 0.00 N ATOM 190 CD2 HIS A 14 -5.804 -2.272 -3.866 1.00 0.00 C ATOM 191 CE1 HIS A 14 -6.173 -2.186 -6.024 1.00 0.00 C ATOM 192 NE2 HIS A 14 -6.758 -2.127 -4.842 1.00 0.00 N ATOM 0 H HIS A 14 -1.217 -4.563 -3.229 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.654 -3.461 -2.000 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.900 -1.692 -3.477 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.550 -2.830 -4.762 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.183 -2.447 -6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.973 -2.267 -2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.670 -2.102 -6.979 1.00 0.00 H new ATOM 201 N ILE A 15 -5.062 -5.207 -3.058 1.00 0.00 N ATOM 202 CA ILE A 15 -5.843 -6.359 -3.493 1.00 0.00 C ATOM 203 C ILE A 15 -7.334 -6.016 -3.520 1.00 0.00 C ATOM 204 O ILE A 15 -7.915 -5.664 -2.494 1.00 0.00 O ATOM 205 CB ILE A 15 -5.615 -7.583 -2.571 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.169 -8.079 -2.671 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.581 -8.709 -2.921 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.211 -7.355 -1.753 1.00 0.00 C ATOM 0 H ILE A 15 -5.564 -4.574 -2.435 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.508 -6.616 -4.498 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.803 -7.269 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.143 -9.144 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.827 -7.967 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.404 -9.559 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.606 -8.361 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.425 -9.014 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.208 -7.761 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.206 -6.293 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.528 -7.488 -0.719 1.00 0.00 H new ATOM 220 N LEU A 16 -7.950 -6.118 -4.698 1.00 0.00 N ATOM 221 CA LEU A 16 -9.375 -5.813 -4.845 1.00 0.00 C ATOM 222 C LEU A 16 -10.196 -7.073 -5.086 1.00 0.00 C ATOM 223 O LEU A 16 -9.808 -7.936 -5.872 1.00 0.00 O ATOM 224 CB LEU A 16 -9.607 -4.836 -6.001 1.00 0.00 C ATOM 225 CG LEU A 16 -10.384 -3.574 -5.631 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.356 -2.578 -6.778 1.00 0.00 C ATOM 227 CD2 LEU A 16 -11.819 -3.920 -5.265 1.00 0.00 C ATOM 0 H LEU A 16 -7.489 -6.408 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.700 -5.356 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.640 -4.543 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.144 -5.356 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.907 -3.118 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.914 -1.685 -6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.324 -2.306 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.810 -3.027 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.358 -3.009 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.306 -4.399 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.823 -4.600 -4.414 1.00 0.00 H new ATOM 239 N VAL A 17 -11.343 -7.155 -4.420 1.00 0.00 N ATOM 240 CA VAL A 17 -12.244 -8.292 -4.569 1.00 0.00 C ATOM 241 C VAL A 17 -13.694 -7.850 -4.398 1.00 0.00 C ATOM 242 O VAL A 17 -14.013 -7.099 -3.477 1.00 0.00 O ATOM 243 CB VAL A 17 -11.935 -9.402 -3.551 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.598 -10.064 -3.861 1.00 0.00 C ATOM 245 CG2 VAL A 17 -11.959 -8.851 -2.132 1.00 0.00 C ATOM 0 H VAL A 17 -11.672 -6.443 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.093 -8.690 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.710 -10.164 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.400 -10.846 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.632 -10.502 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.804 -9.318 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.738 -9.652 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.210 -8.065 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.946 -8.441 -1.918 1.00 0.00 H new ATOM 255 N LYS A 18 -14.570 -8.307 -5.290 1.00 0.00 N ATOM 256 CA LYS A 18 -15.979 -7.933 -5.219 1.00 0.00 C ATOM 257 C LYS A 18 -16.642 -8.550 -3.993 1.00 0.00 C ATOM 258 O LYS A 18 -17.482 -7.920 -3.350 1.00 0.00 O ATOM 259 CB LYS A 18 -16.713 -8.365 -6.490 1.00 0.00 C ATOM 260 CG LYS A 18 -16.893 -7.242 -7.499 1.00 0.00 C ATOM 261 CD LYS A 18 -16.147 -7.526 -8.793 1.00 0.00 C ATOM 262 CE LYS A 18 -16.469 -6.493 -9.862 1.00 0.00 C ATOM 263 NZ LYS A 18 -16.405 -7.073 -11.231 1.00 0.00 N ATOM 0 H LYS A 18 -14.332 -8.930 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.037 -6.848 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.161 -9.179 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.692 -8.759 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.954 -7.110 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.535 -6.306 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.074 -7.530 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.410 -8.520 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.465 -6.087 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.768 -5.662 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.631 -6.337 -11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.448 -7.438 -11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.092 -7.850 -11.311 1.00 0.00 H new ATOM 277 N LYS A 19 -16.243 -9.771 -3.656 1.00 0.00 N ATOM 278 CA LYS A 19 -16.783 -10.444 -2.490 1.00 0.00 C ATOM 279 C LYS A 19 -16.226 -9.786 -1.234 1.00 0.00 C ATOM 280 O LYS A 19 -15.280 -10.274 -0.614 1.00 0.00 O ATOM 281 CB LYS A 19 -16.459 -11.938 -2.540 1.00 0.00 C ATOM 282 CG LYS A 19 -15.088 -12.268 -3.106 1.00 0.00 C ATOM 283 CD LYS A 19 -14.500 -13.511 -2.456 1.00 0.00 C ATOM 284 CE LYS A 19 -14.512 -14.696 -3.407 1.00 0.00 C ATOM 285 NZ LYS A 19 -15.844 -14.887 -4.042 1.00 0.00 N ATOM 0 H LYS A 19 -15.550 -10.310 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.869 -10.352 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.529 -12.346 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.217 -12.441 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.165 -12.421 -4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.417 -11.423 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.477 -13.308 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.068 -13.757 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.759 -14.547 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.236 -15.600 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.982 -15.894 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.589 -14.571 -3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.894 -14.329 -4.919 1.00 0.00 H new ATOM 299 N GLN A 20 -16.808 -8.640 -0.903 1.00 0.00 N ATOM 300 CA GLN A 20 -16.384 -7.835 0.238 1.00 0.00 C ATOM 301 C GLN A 20 -16.177 -8.650 1.505 1.00 0.00 C ATOM 302 O GLN A 20 -15.402 -8.249 2.376 1.00 0.00 O ATOM 303 CB GLN A 20 -17.398 -6.722 0.498 1.00 0.00 C ATOM 304 CG GLN A 20 -18.824 -7.225 0.660 1.00 0.00 C ATOM 305 CD GLN A 20 -19.730 -6.202 1.316 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.391 -5.808 2.538 1.00 0.00 O flip ATOM 307 NE2 GLN A 20 -20.724 -5.770 0.731 1.00 0.00 N flip ATOM 0 H GLN A 20 -17.591 -8.240 -1.420 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.415 -7.410 -0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.108 -6.180 1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.364 -6.010 -0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.226 -7.487 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.818 -8.137 1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.947 -6.101 -0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.324 -5.082 1.185 1.00 0.00 H new ATOM 316 N GLY A 21 -16.853 -9.781 1.626 1.00 0.00 N ATOM 317 CA GLY A 21 -16.682 -10.581 2.820 1.00 0.00 C ATOM 318 C GLY A 21 -15.288 -11.156 2.893 1.00 0.00 C ATOM 319 O GLY A 21 -14.724 -11.320 3.976 1.00 0.00 O ATOM 0 H GLY A 21 -17.504 -10.154 0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.873 -9.970 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.413 -11.389 2.828 1.00 0.00 H new ATOM 323 N GLU A 22 -14.716 -11.422 1.732 1.00 0.00 N ATOM 324 CA GLU A 22 -13.367 -11.944 1.659 1.00 0.00 C ATOM 325 C GLU A 22 -12.374 -10.865 2.061 1.00 0.00 C ATOM 326 O GLU A 22 -11.382 -11.128 2.737 1.00 0.00 O ATOM 327 CB GLU A 22 -13.081 -12.449 0.246 1.00 0.00 C ATOM 328 CG GLU A 22 -12.757 -11.373 -0.769 1.00 0.00 C ATOM 329 CD GLU A 22 -11.500 -11.690 -1.556 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.398 -11.351 -1.077 1.00 0.00 O ATOM 331 OE2 GLU A 22 -11.617 -12.279 -2.652 1.00 0.00 O ATOM 0 H GLU A 22 -15.167 -11.284 0.827 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.264 -12.781 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.246 -13.149 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.948 -13.008 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.595 -11.260 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.633 -10.419 -0.257 1.00 0.00 H new ATOM 338 N ALA A 23 -12.666 -9.641 1.637 1.00 0.00 N ATOM 339 CA ALA A 23 -11.823 -8.494 1.944 1.00 0.00 C ATOM 340 C ALA A 23 -11.548 -8.418 3.442 1.00 0.00 C ATOM 341 O ALA A 23 -10.445 -8.075 3.867 1.00 0.00 O ATOM 342 CB ALA A 23 -12.478 -7.207 1.450 1.00 0.00 C ATOM 0 H ALA A 23 -13.487 -9.418 1.075 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.870 -8.615 1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.836 -6.358 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.622 -7.263 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.444 -7.079 1.939 1.00 0.00 H new ATOM 348 N LEU A 24 -12.559 -8.753 4.240 1.00 0.00 N ATOM 349 CA LEU A 24 -12.425 -8.738 5.692 1.00 0.00 C ATOM 350 C LEU A 24 -11.571 -9.908 6.169 1.00 0.00 C ATOM 351 O LEU A 24 -10.889 -9.818 7.189 1.00 0.00 O ATOM 352 CB LEU A 24 -13.801 -8.792 6.355 1.00 0.00 C ATOM 353 CG LEU A 24 -13.927 -7.986 7.650 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.084 -8.609 8.751 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.519 -6.540 7.418 1.00 0.00 C ATOM 0 H LEU A 24 -13.479 -9.038 3.905 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.931 -7.809 5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.544 -8.429 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.045 -9.833 6.567 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.970 -8.003 7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.186 -8.022 9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.422 -9.629 8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.038 -8.623 8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.615 -5.981 8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.484 -6.504 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.165 -6.097 6.661 1.00 0.00 H new ATOM 367 N ALA A 25 -11.621 -11.010 5.429 1.00 0.00 N ATOM 368 CA ALA A 25 -10.857 -12.201 5.782 1.00 0.00 C ATOM 369 C ALA A 25 -9.416 -12.104 5.291 1.00 0.00 C ATOM 370 O ALA A 25 -8.485 -12.493 5.996 1.00 0.00 O ATOM 371 CB ALA A 25 -11.527 -13.440 5.210 1.00 0.00 C ATOM 0 H ALA A 25 -12.182 -11.103 4.582 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.834 -12.276 6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.948 -14.324 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.535 -13.529 5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.579 -13.357 4.124 1.00 0.00 H new ATOM 377 N VAL A 26 -9.236 -11.590 4.078 1.00 0.00 N ATOM 378 CA VAL A 26 -7.904 -11.451 3.500 1.00 0.00 C ATOM 379 C VAL A 26 -6.957 -10.741 4.458 1.00 0.00 C ATOM 380 O VAL A 26 -5.775 -11.057 4.514 1.00 0.00 O ATOM 381 CB VAL A 26 -7.929 -10.698 2.151 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.074 -11.191 1.279 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.021 -9.191 2.366 1.00 0.00 C ATOM 0 H VAL A 26 -9.994 -11.264 3.478 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.541 -12.463 3.320 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.993 -10.906 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.072 -10.647 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.951 -12.256 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.021 -11.023 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.037 -8.686 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.934 -8.957 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.158 -8.852 2.939 1.00 0.00 H new ATOM 393 N GLN A 27 -7.479 -9.784 5.216 1.00 0.00 N ATOM 394 CA GLN A 27 -6.652 -9.059 6.167 1.00 0.00 C ATOM 395 C GLN A 27 -6.066 -10.032 7.188 1.00 0.00 C ATOM 396 O GLN A 27 -4.863 -10.031 7.443 1.00 0.00 O ATOM 397 CB GLN A 27 -7.453 -7.925 6.843 1.00 0.00 C ATOM 398 CG GLN A 27 -8.301 -8.341 8.038 1.00 0.00 C ATOM 399 CD GLN A 27 -8.344 -7.275 9.114 1.00 0.00 C ATOM 400 OE1 GLN A 27 -8.147 -7.560 10.296 1.00 0.00 O ATOM 401 NE2 GLN A 27 -8.604 -6.036 8.710 1.00 0.00 N ATOM 0 H GLN A 27 -8.457 -9.496 5.191 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.825 -8.588 5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.754 -7.154 7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.106 -7.471 6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.316 -8.556 7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.902 -9.263 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.761 -5.845 7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.647 -5.276 9.389 1.00 0.00 H new ATOM 410 N GLU A 28 -6.926 -10.882 7.742 1.00 0.00 N ATOM 411 CA GLU A 28 -6.505 -11.888 8.706 1.00 0.00 C ATOM 412 C GLU A 28 -5.748 -13.019 8.009 1.00 0.00 C ATOM 413 O GLU A 28 -4.907 -13.689 8.607 1.00 0.00 O ATOM 414 CB GLU A 28 -7.723 -12.435 9.468 1.00 0.00 C ATOM 415 CG GLU A 28 -8.540 -13.472 8.704 1.00 0.00 C ATOM 416 CD GLU A 28 -8.742 -14.750 9.493 1.00 0.00 C ATOM 417 OE1 GLU A 28 -7.868 -15.082 10.322 1.00 0.00 O ATOM 418 OE2 GLU A 28 -9.775 -15.420 9.280 1.00 0.00 O ATOM 0 H GLU A 28 -7.925 -10.892 7.536 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.829 -11.422 9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.380 -12.879 10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.374 -11.601 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.512 -13.049 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.038 -13.705 7.765 1.00 0.00 H new ATOM 425 N ARG A 29 -6.082 -13.231 6.738 1.00 0.00 N ATOM 426 CA ARG A 29 -5.477 -14.285 5.931 1.00 0.00 C ATOM 427 C ARG A 29 -4.095 -13.889 5.422 1.00 0.00 C ATOM 428 O ARG A 29 -3.198 -14.727 5.312 1.00 0.00 O ATOM 429 CB ARG A 29 -6.395 -14.598 4.748 1.00 0.00 C ATOM 430 CG ARG A 29 -6.310 -16.033 4.261 1.00 0.00 C ATOM 431 CD ARG A 29 -6.800 -17.013 5.316 1.00 0.00 C ATOM 432 NE ARG A 29 -8.173 -17.448 5.063 1.00 0.00 N ATOM 433 CZ ARG A 29 -8.958 -17.996 5.987 1.00 0.00 C ATOM 434 NH1 ARG A 29 -8.511 -18.182 7.224 1.00 0.00 N ATOM 435 NH2 ARG A 29 -10.194 -18.362 5.675 1.00 0.00 N ATOM 0 H ARG A 29 -6.779 -12.677 6.240 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.354 -15.167 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.425 -14.383 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.147 -13.930 3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.905 -16.146 3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.279 -16.268 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.142 -17.882 5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.743 -16.546 6.299 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.551 -17.324 4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.561 -17.904 7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.118 -18.603 7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.543 -18.223 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.796 -18.782 6.383 1.00 0.00 H new ATOM 449 N LEU A 30 -3.933 -12.613 5.097 1.00 0.00 N ATOM 450 CA LEU A 30 -2.668 -12.101 4.582 1.00 0.00 C ATOM 451 C LEU A 30 -1.507 -12.468 5.501 1.00 0.00 C ATOM 452 O LEU A 30 -0.562 -13.134 5.084 1.00 0.00 O ATOM 453 CB LEU A 30 -2.752 -10.581 4.407 1.00 0.00 C ATOM 454 CG LEU A 30 -1.696 -9.972 3.483 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.300 -10.218 4.035 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.827 -10.536 2.076 1.00 0.00 C ATOM 0 H LEU A 30 -4.666 -11.909 5.181 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.482 -12.563 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.739 -10.330 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.667 -10.113 5.388 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.859 -8.895 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.439 -9.778 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.213 -9.762 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.124 -11.291 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.067 -10.091 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.691 -11.617 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.817 -10.305 1.682 1.00 0.00 H new ATOM 468 N LYS A 31 -1.584 -12.033 6.752 1.00 0.00 N ATOM 469 CA LYS A 31 -0.536 -12.323 7.724 1.00 0.00 C ATOM 470 C LYS A 31 -0.522 -13.804 8.108 1.00 0.00 C ATOM 471 O LYS A 31 0.390 -14.263 8.795 1.00 0.00 O ATOM 472 CB LYS A 31 -0.721 -11.462 8.976 1.00 0.00 C ATOM 473 CG LYS A 31 -1.959 -11.820 9.785 1.00 0.00 C ATOM 474 CD LYS A 31 -3.036 -10.751 9.668 1.00 0.00 C ATOM 475 CE LYS A 31 -3.594 -10.373 11.030 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.125 -8.981 11.045 1.00 0.00 N ATOM 0 H LYS A 31 -2.359 -11.479 7.118 1.00 0.00 H new ATOM 0 HA LYS A 31 0.421 -12.085 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.159 -11.565 9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.781 -10.414 8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.355 -12.775 9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.685 -11.948 10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.621 -9.866 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.843 -11.114 9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.388 -11.068 11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.812 -10.472 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.496 -8.761 11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.361 -8.316 10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.889 -8.893 10.344 1.00 0.00 H new ATOM 490 N ALA A 32 -1.543 -14.543 7.678 1.00 0.00 N ATOM 491 CA ALA A 32 -1.650 -15.963 7.995 1.00 0.00 C ATOM 492 C ALA A 32 -0.676 -16.822 7.186 1.00 0.00 C ATOM 493 O ALA A 32 -1.067 -17.832 6.602 1.00 0.00 O ATOM 494 CB ALA A 32 -3.073 -16.441 7.766 1.00 0.00 C ATOM 0 H ALA A 32 -2.308 -14.180 7.109 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.384 -16.077 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.143 -17.502 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.753 -15.879 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.345 -16.286 6.722 1.00 0.00 H new ATOM 500 N GLY A 33 0.596 -16.434 7.176 1.00 0.00 N ATOM 501 CA GLY A 33 1.596 -17.200 6.462 1.00 0.00 C ATOM 502 C GLY A 33 1.631 -16.935 4.967 1.00 0.00 C ATOM 503 O GLY A 33 2.554 -17.376 4.282 1.00 0.00 O ATOM 0 H GLY A 33 0.950 -15.603 7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.577 -16.978 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.411 -18.261 6.628 1.00 0.00 H new ATOM 507 N GLU A 34 0.636 -16.223 4.446 1.00 0.00 N ATOM 508 CA GLU A 34 0.589 -15.926 3.018 1.00 0.00 C ATOM 509 C GLU A 34 1.177 -14.551 2.725 1.00 0.00 C ATOM 510 O GLU A 34 1.243 -13.690 3.600 1.00 0.00 O ATOM 511 CB GLU A 34 -0.844 -16.006 2.480 1.00 0.00 C ATOM 512 CG GLU A 34 -1.811 -16.746 3.392 1.00 0.00 C ATOM 513 CD GLU A 34 -3.196 -16.877 2.791 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.681 -15.893 2.195 1.00 0.00 O ATOM 515 OE2 GLU A 34 -3.797 -17.966 2.916 1.00 0.00 O ATOM 0 H GLU A 34 -0.142 -15.844 4.986 1.00 0.00 H new ATOM 0 HA GLU A 34 1.191 -16.680 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.217 -14.995 2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.829 -16.499 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.416 -17.739 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.881 -16.220 4.344 1.00 0.00 H new ATOM 522 N LYS A 35 1.609 -14.358 1.485 1.00 0.00 N ATOM 523 CA LYS A 35 2.195 -13.092 1.069 1.00 0.00 C ATOM 524 C LYS A 35 1.276 -12.349 0.106 1.00 0.00 C ATOM 525 O LYS A 35 0.592 -12.960 -0.719 1.00 0.00 O ATOM 526 CB LYS A 35 3.555 -13.331 0.411 1.00 0.00 C ATOM 527 CG LYS A 35 4.422 -12.086 0.333 1.00 0.00 C ATOM 528 CD LYS A 35 5.758 -12.377 -0.333 1.00 0.00 C ATOM 529 CE LYS A 35 6.748 -12.988 0.647 1.00 0.00 C ATOM 530 NZ LYS A 35 7.498 -14.124 0.044 1.00 0.00 N ATOM 0 H LYS A 35 1.564 -15.064 0.750 1.00 0.00 H new ATOM 0 HA LYS A 35 2.328 -12.475 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.089 -14.100 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.399 -13.718 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.897 -11.311 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.592 -11.696 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.607 -13.057 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.171 -11.455 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.451 -12.223 0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.215 -13.334 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.162 -14.512 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.830 -14.865 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.027 -13.789 -0.786 1.00 0.00 H new ATOM 544 N PHE A 36 1.271 -11.026 0.219 1.00 0.00 N ATOM 545 CA PHE A 36 0.445 -10.184 -0.642 1.00 0.00 C ATOM 546 C PHE A 36 0.623 -10.571 -2.107 1.00 0.00 C ATOM 547 O PHE A 36 -0.284 -10.402 -2.920 1.00 0.00 O ATOM 548 CB PHE A 36 0.803 -8.708 -0.443 1.00 0.00 C ATOM 549 CG PHE A 36 2.272 -8.463 -0.233 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.172 -8.630 -1.272 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.750 -8.066 1.005 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.522 -8.406 -1.081 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.098 -7.840 1.203 1.00 0.00 C ATOM 554 CZ PHE A 36 4.986 -8.011 0.160 1.00 0.00 C ATOM 0 H PHE A 36 1.830 -10.511 0.899 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.599 -10.336 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.471 -8.143 -1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.253 -8.323 0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.815 -8.939 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.060 -7.932 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.214 -8.539 -1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.457 -7.530 2.173 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.041 -7.837 0.313 1.00 0.00 H new ATOM 564 N GLY A 37 1.802 -11.094 -2.430 1.00 0.00 N ATOM 565 CA GLY A 37 2.086 -11.504 -3.791 1.00 0.00 C ATOM 566 C GLY A 37 1.134 -12.572 -4.287 1.00 0.00 C ATOM 567 O GLY A 37 0.794 -12.608 -5.468 1.00 0.00 O ATOM 0 H GLY A 37 2.566 -11.241 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.027 -10.636 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.108 -11.878 -3.848 1.00 0.00 H new ATOM 571 N LYS A 38 0.708 -13.447 -3.384 1.00 0.00 N ATOM 572 CA LYS A 38 -0.208 -14.524 -3.742 1.00 0.00 C ATOM 573 C LYS A 38 -1.618 -13.988 -3.953 1.00 0.00 C ATOM 574 O LYS A 38 -2.254 -14.280 -4.965 1.00 0.00 O ATOM 575 CB LYS A 38 -0.230 -15.612 -2.662 1.00 0.00 C ATOM 576 CG LYS A 38 1.068 -15.747 -1.884 1.00 0.00 C ATOM 577 CD LYS A 38 1.492 -17.202 -1.746 1.00 0.00 C ATOM 578 CE LYS A 38 1.910 -17.530 -0.322 1.00 0.00 C ATOM 579 NZ LYS A 38 3.314 -17.122 -0.046 1.00 0.00 N ATOM 0 H LYS A 38 0.981 -13.433 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 38 0.150 -14.961 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.038 -15.397 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.460 -16.569 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.854 -15.185 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.946 -15.308 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.668 -17.851 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.320 -17.406 -2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.242 -17.027 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.803 -18.601 -0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.559 -17.363 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.955 -17.621 -0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.411 -16.096 -0.185 1.00 0.00 H new ATOM 593 N LEU A 39 -2.102 -13.208 -2.988 1.00 0.00 N ATOM 594 CA LEU A 39 -3.446 -12.640 -3.059 1.00 0.00 C ATOM 595 C LEU A 39 -3.661 -11.888 -4.369 1.00 0.00 C ATOM 596 O LEU A 39 -4.754 -11.915 -4.935 1.00 0.00 O ATOM 597 CB LEU A 39 -3.694 -11.691 -1.881 1.00 0.00 C ATOM 598 CG LEU A 39 -3.742 -12.344 -0.492 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.651 -13.562 -0.499 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.346 -12.725 -0.018 1.00 0.00 C ATOM 0 H LEU A 39 -1.583 -12.955 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.153 -13.468 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.910 -10.934 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.638 -11.172 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.150 -11.613 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.669 -14.008 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.660 -13.261 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.276 -14.292 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.410 -13.185 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.903 -13.431 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.724 -11.831 0.038 1.00 0.00 H new ATOM 612 N ALA A 40 -2.617 -11.222 -4.851 1.00 0.00 N ATOM 613 CA ALA A 40 -2.706 -10.465 -6.095 1.00 0.00 C ATOM 614 C ALA A 40 -3.262 -11.333 -7.216 1.00 0.00 C ATOM 615 O ALA A 40 -4.236 -10.974 -7.874 1.00 0.00 O ATOM 616 CB ALA A 40 -1.340 -9.913 -6.476 1.00 0.00 C ATOM 0 H ALA A 40 -1.702 -11.191 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.389 -9.630 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.421 -9.350 -7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.980 -9.256 -5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.639 -10.737 -6.610 1.00 0.00 H new ATOM 622 N LYS A 41 -2.648 -12.485 -7.413 1.00 0.00 N ATOM 623 CA LYS A 41 -3.086 -13.419 -8.436 1.00 0.00 C ATOM 624 C LYS A 41 -4.198 -14.324 -7.905 1.00 0.00 C ATOM 625 O LYS A 41 -4.974 -14.889 -8.674 1.00 0.00 O ATOM 626 CB LYS A 41 -1.909 -14.266 -8.925 1.00 0.00 C ATOM 627 CG LYS A 41 -1.361 -15.215 -7.869 1.00 0.00 C ATOM 628 CD LYS A 41 -0.367 -16.198 -8.467 1.00 0.00 C ATOM 629 CE LYS A 41 0.668 -16.635 -7.444 1.00 0.00 C ATOM 630 NZ LYS A 41 0.986 -18.084 -7.560 1.00 0.00 N ATOM 0 H LYS A 41 -1.840 -12.798 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.479 -12.844 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.225 -14.845 -9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.109 -13.604 -9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.877 -14.641 -7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.183 -15.762 -7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.899 -17.071 -8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.134 -15.738 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.579 -16.052 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.298 -16.424 -6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.696 -18.342 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.122 -18.642 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.363 -18.282 -8.509 1.00 0.00 H new ATOM 644 N GLU A 42 -4.244 -14.481 -6.582 1.00 0.00 N ATOM 645 CA GLU A 42 -5.231 -15.348 -5.946 1.00 0.00 C ATOM 646 C GLU A 42 -6.646 -14.761 -5.973 1.00 0.00 C ATOM 647 O GLU A 42 -7.527 -15.310 -6.636 1.00 0.00 O ATOM 648 CB GLU A 42 -4.810 -15.648 -4.506 1.00 0.00 C ATOM 649 CG GLU A 42 -4.381 -17.090 -4.287 1.00 0.00 C ATOM 650 CD GLU A 42 -4.793 -17.623 -2.929 1.00 0.00 C ATOM 651 OE1 GLU A 42 -6.011 -17.759 -2.689 1.00 0.00 O ATOM 652 OE2 GLU A 42 -3.897 -17.903 -2.105 1.00 0.00 O ATOM 0 H GLU A 42 -3.609 -14.018 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.264 -16.272 -6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.988 -14.987 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.640 -15.419 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.816 -17.716 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.298 -17.162 -4.388 1.00 0.00 H new ATOM 659 N LEU A 43 -6.884 -13.665 -5.244 1.00 0.00 N ATOM 660 CA LEU A 43 -8.225 -13.071 -5.212 1.00 0.00 C ATOM 661 C LEU A 43 -8.271 -11.639 -5.750 1.00 0.00 C ATOM 662 O LEU A 43 -9.355 -11.129 -6.035 1.00 0.00 O ATOM 663 CB LEU A 43 -8.838 -13.122 -3.802 1.00 0.00 C ATOM 664 CG LEU A 43 -7.865 -13.045 -2.622 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.154 -14.372 -2.423 1.00 0.00 C ATOM 666 CD2 LEU A 43 -6.866 -11.914 -2.808 1.00 0.00 C ATOM 0 H LEU A 43 -6.185 -13.181 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.825 -13.686 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.548 -12.300 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.408 -14.047 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.443 -12.832 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.468 -14.294 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.889 -15.152 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.594 -14.624 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.188 -11.883 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.294 -12.080 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.399 -10.966 -2.882 1.00 0.00 H new ATOM 678 N SER A 44 -7.122 -10.978 -5.895 1.00 0.00 N ATOM 679 CA SER A 44 -7.128 -9.606 -6.404 1.00 0.00 C ATOM 680 C SER A 44 -7.654 -9.573 -7.828 1.00 0.00 C ATOM 681 O SER A 44 -7.172 -10.298 -8.698 1.00 0.00 O ATOM 682 CB SER A 44 -5.732 -9.002 -6.377 1.00 0.00 C ATOM 683 OG SER A 44 -5.787 -7.592 -6.283 1.00 0.00 O ATOM 0 H SER A 44 -6.201 -11.356 -5.675 1.00 0.00 H new ATOM 0 HA SER A 44 -7.779 -9.019 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.175 -9.404 -5.531 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.191 -9.288 -7.279 1.00 0.00 H new ATOM 0 HG SER A 44 -4.881 -7.224 -6.346 1.00 0.00 H new ATOM 689 N ILE A 45 -8.662 -8.741 -8.056 1.00 0.00 N ATOM 690 CA ILE A 45 -9.267 -8.638 -9.376 1.00 0.00 C ATOM 691 C ILE A 45 -8.920 -7.337 -10.095 1.00 0.00 C ATOM 692 O ILE A 45 -8.915 -7.288 -11.325 1.00 0.00 O ATOM 693 CB ILE A 45 -10.801 -8.715 -9.269 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.293 -7.784 -8.154 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.244 -10.144 -9.006 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.333 -6.784 -8.594 1.00 0.00 C ATOM 0 H ILE A 45 -9.075 -8.132 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.864 -9.471 -9.952 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.238 -8.392 -10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.706 -8.389 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.439 -7.246 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.331 -10.180 -8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.914 -10.784 -9.824 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.806 -10.495 -8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.626 -6.166 -7.745 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.920 -6.150 -9.379 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.206 -7.312 -8.977 1.00 0.00 H new ATOM 708 N ASP A 46 -8.657 -6.279 -9.337 1.00 0.00 N ATOM 709 CA ASP A 46 -8.345 -4.987 -9.939 1.00 0.00 C ATOM 710 C ASP A 46 -7.064 -4.378 -9.387 1.00 0.00 C ATOM 711 O ASP A 46 -7.040 -3.877 -8.264 1.00 0.00 O ATOM 712 CB ASP A 46 -9.512 -4.020 -9.732 1.00 0.00 C ATOM 713 CG ASP A 46 -9.278 -2.674 -10.389 1.00 0.00 C ATOM 714 OD1 ASP A 46 -8.646 -1.805 -9.752 1.00 0.00 O ATOM 715 OD2 ASP A 46 -9.727 -2.489 -11.540 1.00 0.00 O ATOM 0 H ASP A 46 -8.653 -6.288 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.187 -5.159 -11.004 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.422 -4.464 -10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.674 -3.875 -8.664 1.00 0.00 H new ATOM 720 N GLY A 47 -6.006 -4.395 -10.190 1.00 0.00 N ATOM 721 CA GLY A 47 -4.756 -3.805 -9.761 1.00 0.00 C ATOM 722 C GLY A 47 -3.643 -3.985 -10.770 1.00 0.00 C ATOM 723 O GLY A 47 -3.535 -5.031 -11.410 1.00 0.00 O ATOM 0 H GLY A 47 -5.993 -4.804 -11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.906 -2.741 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.456 -4.251 -8.813 1.00 0.00 H new ATOM 727 N GLY A 48 -2.790 -2.975 -10.887 1.00 0.00 N ATOM 728 CA GLY A 48 -1.671 -3.058 -11.802 1.00 0.00 C ATOM 729 C GLY A 48 -0.535 -3.832 -11.184 1.00 0.00 C ATOM 730 O GLY A 48 0.195 -4.553 -11.867 1.00 0.00 O ATOM 0 H GLY A 48 -2.854 -2.101 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.986 -3.541 -12.727 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.334 -2.055 -12.065 1.00 0.00 H new ATOM 734 N SER A 49 -0.402 -3.694 -9.871 1.00 0.00 N ATOM 735 CA SER A 49 0.632 -4.388 -9.128 1.00 0.00 C ATOM 736 C SER A 49 0.235 -5.839 -8.865 1.00 0.00 C ATOM 737 O SER A 49 0.972 -6.573 -8.212 1.00 0.00 O ATOM 738 CB SER A 49 0.903 -3.674 -7.803 1.00 0.00 C ATOM 739 OG SER A 49 -0.288 -3.120 -7.271 1.00 0.00 O ATOM 0 H SER A 49 -1.004 -3.102 -9.299 1.00 0.00 H new ATOM 0 HA SER A 49 1.541 -4.383 -9.729 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.332 -4.376 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.639 -2.885 -7.955 1.00 0.00 H new ATOM 0 HG SER A 49 -0.554 -3.622 -6.472 1.00 0.00 H new ATOM 745 N ALA A 50 -0.913 -6.266 -9.398 1.00 0.00 N ATOM 746 CA ALA A 50 -1.350 -7.643 -9.221 1.00 0.00 C ATOM 747 C ALA A 50 -0.410 -8.558 -9.984 1.00 0.00 C ATOM 748 O ALA A 50 -0.250 -9.735 -9.659 1.00 0.00 O ATOM 749 CB ALA A 50 -2.789 -7.822 -9.690 1.00 0.00 C ATOM 0 H ALA A 50 -1.545 -5.683 -9.947 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.322 -7.899 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.092 -8.859 -9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.444 -7.170 -9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.862 -7.565 -10.747 1.00 0.00 H new ATOM 755 N LYS A 51 0.232 -7.978 -10.991 1.00 0.00 N ATOM 756 CA LYS A 51 1.190 -8.685 -11.812 1.00 0.00 C ATOM 757 C LYS A 51 2.572 -8.620 -11.166 1.00 0.00 C ATOM 758 O LYS A 51 3.461 -9.411 -11.478 1.00 0.00 O ATOM 759 CB LYS A 51 1.225 -8.039 -13.190 1.00 0.00 C ATOM 760 CG LYS A 51 0.055 -8.432 -14.074 1.00 0.00 C ATOM 761 CD LYS A 51 0.158 -9.878 -14.535 1.00 0.00 C ATOM 762 CE LYS A 51 -1.129 -10.643 -14.266 1.00 0.00 C ATOM 763 NZ LYS A 51 -0.963 -11.645 -13.176 1.00 0.00 N ATOM 0 H LYS A 51 0.098 -7.002 -11.257 1.00 0.00 H new ATOM 0 HA LYS A 51 0.899 -9.731 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.234 -6.955 -13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.155 -8.314 -13.688 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.877 -8.290 -13.528 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.019 -7.775 -14.943 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.383 -9.906 -15.601 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.987 -10.366 -14.022 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.919 -9.941 -13.997 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.448 -11.148 -15.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.862 -12.145 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.227 -12.330 -13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.683 -11.161 -12.299 1.00 0.00 H new ATOM 777 N ARG A 52 2.731 -7.659 -10.259 1.00 0.00 N ATOM 778 CA ARG A 52 3.981 -7.450 -9.547 1.00 0.00 C ATOM 779 C ARG A 52 3.887 -7.970 -8.113 1.00 0.00 C ATOM 780 O ARG A 52 4.600 -7.503 -7.229 1.00 0.00 O ATOM 781 CB ARG A 52 4.336 -5.964 -9.538 1.00 0.00 C ATOM 782 CG ARG A 52 4.721 -5.425 -10.906 1.00 0.00 C ATOM 783 CD ARG A 52 5.876 -4.440 -10.816 1.00 0.00 C ATOM 784 NE ARG A 52 5.909 -3.531 -11.960 1.00 0.00 N ATOM 785 CZ ARG A 52 6.987 -2.843 -12.329 1.00 0.00 C ATOM 786 NH1 ARG A 52 8.121 -2.957 -11.648 1.00 0.00 N ATOM 787 NH2 ARG A 52 6.931 -2.037 -13.380 1.00 0.00 N ATOM 0 H ARG A 52 1.993 -7.004 -9.999 1.00 0.00 H new ATOM 0 HA ARG A 52 4.764 -8.005 -10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.485 -5.398 -9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.162 -5.800 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.998 -6.253 -11.559 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.859 -4.936 -11.360 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.789 -3.862 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.817 -4.988 -10.761 1.00 0.00 H new ATOM 0 HE ARG A 52 5.056 -3.417 -12.508 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.169 -3.574 -10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.944 -2.427 -11.935 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.062 -1.944 -13.906 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.757 -1.510 -13.663 1.00 0.00 H new ATOM 801 N ASP A 53 2.990 -8.931 -7.896 1.00 0.00 N ATOM 802 CA ASP A 53 2.779 -9.531 -6.579 1.00 0.00 C ATOM 803 C ASP A 53 2.169 -8.528 -5.592 1.00 0.00 C ATOM 804 O ASP A 53 2.523 -8.490 -4.417 1.00 0.00 O ATOM 805 CB ASP A 53 4.089 -10.152 -6.045 1.00 0.00 C ATOM 806 CG ASP A 53 4.954 -9.211 -5.216 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.673 -9.052 -4.009 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.927 -8.657 -5.767 1.00 0.00 O ATOM 0 H ASP A 53 2.390 -9.315 -8.626 1.00 0.00 H new ATOM 0 HA ASP A 53 2.054 -10.338 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.840 -11.023 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.675 -10.510 -6.891 1.00 0.00 H new ATOM 813 N GLY A 54 1.224 -7.735 -6.084 1.00 0.00 N ATOM 814 CA GLY A 54 0.556 -6.757 -5.243 1.00 0.00 C ATOM 815 C GLY A 54 1.521 -5.837 -4.523 1.00 0.00 C ATOM 816 O GLY A 54 1.232 -5.364 -3.424 1.00 0.00 O ATOM 0 H GLY A 54 0.907 -7.752 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.118 -6.159 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.058 -7.277 -4.508 1.00 0.00 H new ATOM 820 N SER A 55 2.666 -5.581 -5.141 1.00 0.00 N ATOM 821 CA SER A 55 3.671 -4.710 -4.546 1.00 0.00 C ATOM 822 C SER A 55 3.487 -3.268 -5.008 1.00 0.00 C ATOM 823 O SER A 55 4.111 -2.833 -5.975 1.00 0.00 O ATOM 824 CB SER A 55 5.076 -5.194 -4.903 1.00 0.00 C ATOM 825 OG SER A 55 5.285 -5.174 -6.305 1.00 0.00 O ATOM 0 H SER A 55 2.922 -5.963 -6.052 1.00 0.00 H new ATOM 0 HA SER A 55 3.546 -4.745 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.817 -4.562 -4.413 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.222 -6.206 -4.525 1.00 0.00 H new ATOM 0 HG SER A 55 4.734 -5.865 -6.728 1.00 0.00 H new ATOM 831 N LEU A 56 2.633 -2.528 -4.305 1.00 0.00 N ATOM 832 CA LEU A 56 2.379 -1.131 -4.643 1.00 0.00 C ATOM 833 C LEU A 56 3.690 -0.357 -4.702 1.00 0.00 C ATOM 834 O LEU A 56 3.892 0.484 -5.578 1.00 0.00 O ATOM 835 CB LEU A 56 1.437 -0.494 -3.616 1.00 0.00 C ATOM 836 CG LEU A 56 0.040 -1.111 -3.544 1.00 0.00 C ATOM 837 CD1 LEU A 56 -0.836 -0.340 -2.570 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.597 -1.149 -4.927 1.00 0.00 C ATOM 0 H LEU A 56 2.107 -2.871 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 56 1.903 -1.093 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.899 -0.563 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.337 0.567 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 56 0.133 -2.134 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.826 -0.794 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.387 -0.367 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.924 0.695 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.591 -1.591 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.677 -0.135 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.021 -1.748 -5.596 1.00 0.00 H new ATOM 850 N GLY A 57 4.582 -0.656 -3.766 1.00 0.00 N ATOM 851 CA GLY A 57 5.868 0.011 -3.727 1.00 0.00 C ATOM 852 C GLY A 57 5.783 1.401 -3.133 1.00 0.00 C ATOM 853 O GLY A 57 4.766 1.770 -2.547 1.00 0.00 O ATOM 0 H GLY A 57 4.437 -1.350 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.567 -0.588 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.271 0.075 -4.738 1.00 0.00 H new ATOM 857 N TYR A 58 6.853 2.173 -3.276 1.00 0.00 N ATOM 858 CA TYR A 58 6.887 3.528 -2.732 1.00 0.00 C ATOM 859 C TYR A 58 5.955 4.462 -3.489 1.00 0.00 C ATOM 860 O TYR A 58 6.217 4.829 -4.634 1.00 0.00 O ATOM 861 CB TYR A 58 8.305 4.124 -2.758 1.00 0.00 C ATOM 862 CG TYR A 58 9.417 3.121 -2.981 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.845 2.804 -4.264 1.00 0.00 C ATOM 864 CD2 TYR A 58 10.040 2.494 -1.909 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.861 1.889 -4.472 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.056 1.579 -2.109 1.00 0.00 C ATOM 867 CZ TYR A 58 11.462 1.280 -3.392 1.00 0.00 C ATOM 868 OH TYR A 58 12.474 0.370 -3.595 1.00 0.00 O ATOM 0 H TYR A 58 7.704 1.888 -3.760 1.00 0.00 H new ATOM 0 HA TYR A 58 6.554 3.442 -1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.352 4.877 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.484 4.638 -1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.377 3.280 -5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.725 2.726 -0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.182 1.653 -5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.530 1.101 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 58 12.790 0.034 -2.730 1.00 0.00 H new ATOM 878 N PHE A 59 4.893 4.885 -2.818 1.00 0.00 N ATOM 879 CA PHE A 59 3.950 5.828 -3.395 1.00 0.00 C ATOM 880 C PHE A 59 3.795 7.014 -2.459 1.00 0.00 C ATOM 881 O PHE A 59 3.980 6.888 -1.252 1.00 0.00 O ATOM 882 CB PHE A 59 2.587 5.188 -3.640 1.00 0.00 C ATOM 883 CG PHE A 59 2.560 4.214 -4.785 1.00 0.00 C ATOM 884 CD1 PHE A 59 3.290 4.454 -5.940 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.795 3.060 -4.708 1.00 0.00 C ATOM 886 CE1 PHE A 59 3.258 3.561 -6.994 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.760 2.165 -5.759 1.00 0.00 C ATOM 888 CZ PHE A 59 2.492 2.415 -6.904 1.00 0.00 C ATOM 0 H PHE A 59 4.664 4.588 -1.870 1.00 0.00 H new ATOM 0 HA PHE A 59 4.342 6.153 -4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.271 4.673 -2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.857 5.975 -3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.890 5.349 -6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.220 2.859 -3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.831 3.759 -7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.161 1.270 -5.686 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.465 1.716 -7.727 1.00 0.00 H new ATOM 898 N GLY A 60 3.457 8.159 -3.012 1.00 0.00 N ATOM 899 CA GLY A 60 3.291 9.342 -2.195 1.00 0.00 C ATOM 900 C GLY A 60 1.833 9.641 -1.908 1.00 0.00 C ATOM 901 O GLY A 60 0.953 8.854 -2.260 1.00 0.00 O ATOM 0 H GLY A 60 3.294 8.296 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.825 9.209 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.743 10.196 -2.700 1.00 0.00 H new ATOM 905 N ARG A 61 1.571 10.776 -1.268 1.00 0.00 N ATOM 906 CA ARG A 61 0.210 11.165 -0.937 1.00 0.00 C ATOM 907 C ARG A 61 -0.377 12.025 -2.044 1.00 0.00 C ATOM 908 O ARG A 61 -0.106 13.225 -2.126 1.00 0.00 O ATOM 909 CB ARG A 61 0.178 11.923 0.393 1.00 0.00 C ATOM 910 CG ARG A 61 0.972 13.220 0.384 1.00 0.00 C ATOM 911 CD ARG A 61 1.331 13.667 1.793 1.00 0.00 C ATOM 912 NE ARG A 61 2.756 13.958 1.929 1.00 0.00 N ATOM 913 CZ ARG A 61 3.691 13.025 2.097 1.00 0.00 C ATOM 914 NH1 ARG A 61 3.357 11.741 2.144 1.00 0.00 N ATOM 915 NH2 ARG A 61 4.964 13.376 2.214 1.00 0.00 N ATOM 0 H ARG A 61 2.285 11.441 -0.969 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.392 10.262 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.858 12.145 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.568 11.275 1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.883 13.085 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.391 14.000 -0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.754 14.555 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.051 12.889 2.503 1.00 0.00 H new ATOM 0 HE ARG A 61 3.052 14.933 1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.380 11.465 2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.078 11.031 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.227 14.361 2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.680 12.661 2.343 1.00 0.00 H new ATOM 929 N GLY A 62 -1.181 11.406 -2.894 1.00 0.00 N ATOM 930 CA GLY A 62 -1.792 12.134 -3.984 1.00 0.00 C ATOM 931 C GLY A 62 -1.986 11.295 -5.238 1.00 0.00 C ATOM 932 O GLY A 62 -2.618 11.742 -6.194 1.00 0.00 O ATOM 0 H GLY A 62 -1.421 10.416 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.759 12.516 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.173 12.998 -4.226 1.00 0.00 H new ATOM 936 N LYS A 63 -1.438 10.080 -5.242 1.00 0.00 N ATOM 937 CA LYS A 63 -1.554 9.197 -6.398 1.00 0.00 C ATOM 938 C LYS A 63 -2.768 8.275 -6.280 1.00 0.00 C ATOM 939 O LYS A 63 -3.468 8.031 -7.264 1.00 0.00 O ATOM 940 CB LYS A 63 -0.280 8.364 -6.555 1.00 0.00 C ATOM 941 CG LYS A 63 0.683 8.915 -7.593 1.00 0.00 C ATOM 942 CD LYS A 63 1.593 7.828 -8.142 1.00 0.00 C ATOM 943 CE LYS A 63 2.978 7.891 -7.519 1.00 0.00 C ATOM 944 NZ LYS A 63 4.051 7.660 -8.525 1.00 0.00 N ATOM 0 H LYS A 63 -0.912 9.688 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.690 9.821 -7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.229 8.309 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.554 7.345 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.120 9.366 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.287 9.705 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.151 6.851 -7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.675 7.933 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.122 8.865 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.055 7.144 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.980 7.711 -8.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.929 6.720 -8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.994 8.387 -9.266 1.00 0.00 H new ATOM 958 N MET A 64 -3.007 7.757 -5.079 1.00 0.00 N ATOM 959 CA MET A 64 -4.133 6.853 -4.852 1.00 0.00 C ATOM 960 C MET A 64 -5.382 7.615 -4.423 1.00 0.00 C ATOM 961 O MET A 64 -5.314 8.791 -4.067 1.00 0.00 O ATOM 962 CB MET A 64 -3.772 5.811 -3.790 1.00 0.00 C ATOM 963 CG MET A 64 -2.364 5.254 -3.934 1.00 0.00 C ATOM 964 SD MET A 64 -1.229 5.903 -2.693 1.00 0.00 S ATOM 965 CE MET A 64 -0.754 4.396 -1.848 1.00 0.00 C ATOM 0 H MET A 64 -2.441 7.945 -4.252 1.00 0.00 H new ATOM 0 HA MET A 64 -4.348 6.350 -5.795 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.876 6.260 -2.802 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.486 4.989 -3.843 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.398 4.167 -3.857 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.984 5.491 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.052 4.611 -1.146 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.611 3.998 -1.305 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.414 3.661 -2.578 1.00 0.00 H new ATOM 975 N VAL A 65 -6.523 6.932 -4.459 1.00 0.00 N ATOM 976 CA VAL A 65 -7.793 7.537 -4.072 1.00 0.00 C ATOM 977 C VAL A 65 -7.732 8.056 -2.636 1.00 0.00 C ATOM 978 O VAL A 65 -6.830 7.706 -1.879 1.00 0.00 O ATOM 979 CB VAL A 65 -8.957 6.535 -4.215 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.111 6.097 -5.663 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.736 5.332 -3.313 1.00 0.00 C ATOM 0 H VAL A 65 -6.594 5.958 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.973 8.375 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.878 7.031 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.937 5.390 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.316 6.967 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.191 5.619 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.566 4.635 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.806 4.836 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.677 5.661 -2.276 1.00 0.00 H new ATOM 991 N LYS A 66 -8.685 8.910 -2.276 1.00 0.00 N ATOM 992 CA LYS A 66 -8.727 9.500 -0.938 1.00 0.00 C ATOM 993 C LYS A 66 -8.823 8.448 0.171 1.00 0.00 C ATOM 994 O LYS A 66 -8.081 8.511 1.151 1.00 0.00 O ATOM 995 CB LYS A 66 -9.902 10.473 -0.831 1.00 0.00 C ATOM 996 CG LYS A 66 -9.631 11.656 0.084 1.00 0.00 C ATOM 997 CD LYS A 66 -10.837 12.575 0.176 1.00 0.00 C ATOM 998 CE LYS A 66 -10.441 13.969 0.636 1.00 0.00 C ATOM 999 NZ LYS A 66 -9.462 14.602 -0.289 1.00 0.00 N ATOM 0 H LYS A 66 -9.441 9.211 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.786 10.032 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.148 10.843 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.777 9.935 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.370 11.296 1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.773 12.216 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.324 12.636 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.564 12.154 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.331 14.595 0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.011 13.913 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.806 15.543 -0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.543 14.696 0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.352 14.009 -1.137 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.742 7.471 0.051 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.906 6.435 1.072 1.00 0.00 C ATOM 1015 C PRO A 67 -8.699 5.513 1.154 1.00 0.00 C ATOM 1016 O PRO A 67 -8.299 5.083 2.235 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.144 5.654 0.627 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.368 6.000 -0.806 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.680 7.313 -1.071 1.00 0.00 C ATOM 0 HA PRO A 67 -10.009 6.870 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.991 4.582 0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.010 5.923 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.968 5.221 -1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.434 6.077 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.157 7.301 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.395 8.135 -1.109 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.123 5.219 -0.002 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.953 4.350 -0.080 1.00 0.00 C ATOM 1029 C PHE A 68 -5.708 5.082 0.403 1.00 0.00 C ATOM 1030 O PHE A 68 -4.970 4.583 1.253 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.747 3.866 -1.518 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.771 2.733 -1.647 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -6.186 1.421 -1.487 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -4.439 2.981 -1.936 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -5.289 0.377 -1.613 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -3.538 1.942 -2.066 1.00 0.00 C ATOM 1037 CZ PHE A 68 -3.963 0.638 -1.903 1.00 0.00 C ATOM 0 H PHE A 68 -8.447 5.570 -0.903 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.124 3.488 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.708 3.552 -1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.400 4.702 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.221 1.212 -1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.101 3.999 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.624 -0.642 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.503 2.149 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.260 -0.176 -2.002 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.484 6.276 -0.142 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.331 7.085 0.232 1.00 0.00 C ATOM 1049 C GLU A 69 -4.318 7.343 1.736 1.00 0.00 C ATOM 1050 O GLU A 69 -3.257 7.453 2.350 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.356 8.411 -0.527 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.997 9.079 -0.638 1.00 0.00 C ATOM 1053 CD GLU A 69 -3.082 10.590 -0.553 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.402 11.226 -1.579 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -2.831 11.138 0.541 1.00 0.00 O ATOM 0 H GLU A 69 -6.088 6.703 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.425 6.539 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.748 8.238 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.045 9.092 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.349 8.710 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.534 8.797 -1.584 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.508 7.438 2.319 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.642 7.683 3.749 1.00 0.00 C ATOM 1064 C ASP A 70 -5.142 6.489 4.560 1.00 0.00 C ATOM 1065 O ASP A 70 -4.356 6.648 5.494 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.103 7.979 4.100 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.334 9.442 4.419 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.932 10.299 3.605 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -7.919 9.731 5.485 1.00 0.00 O ATOM 0 H ASP A 70 -6.394 7.349 1.822 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.030 8.549 4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.741 7.686 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.399 7.372 4.956 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.607 5.299 4.198 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.210 4.080 4.895 1.00 0.00 C ATOM 1076 C ALA A 71 -3.788 3.655 4.528 1.00 0.00 C ATOM 1077 O ALA A 71 -3.226 2.751 5.146 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.190 2.958 4.586 1.00 0.00 C ATOM 0 H ALA A 71 -6.258 5.152 3.427 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.226 4.289 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.884 2.053 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.189 3.247 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.200 2.769 3.513 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.213 4.305 3.521 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.860 3.984 3.079 1.00 0.00 C ATOM 1086 C ALA A 72 -0.823 4.385 4.122 1.00 0.00 C ATOM 1087 O ALA A 72 0.031 3.585 4.505 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.565 4.663 1.751 1.00 0.00 C ATOM 0 H ALA A 72 -3.662 5.056 2.996 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.798 2.904 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.552 4.415 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.276 4.318 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.655 5.743 1.867 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.898 5.633 4.573 1.00 0.00 N ATOM 1095 CA PHE A 73 0.038 6.147 5.568 1.00 0.00 C ATOM 1096 C PHE A 73 -0.520 6.010 6.983 1.00 0.00 C ATOM 1097 O PHE A 73 -0.032 6.652 7.914 1.00 0.00 O ATOM 1098 CB PHE A 73 0.363 7.613 5.279 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.851 8.451 4.998 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.788 8.689 5.990 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.056 8.997 3.742 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.908 9.456 5.735 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.174 9.765 3.480 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.101 9.996 4.477 1.00 0.00 C ATOM 0 H PHE A 73 -1.598 6.308 4.265 1.00 0.00 H new ATOM 0 HA PHE A 73 0.950 5.553 5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.896 8.034 6.132 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.037 7.666 4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.641 8.270 6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.334 8.820 2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.632 9.634 6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.323 10.184 2.496 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.975 10.597 4.274 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.544 5.176 7.144 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.156 4.971 8.450 1.00 0.00 C ATOM 1116 C ARG A 74 -1.600 3.718 9.118 1.00 0.00 C ATOM 1117 O ARG A 74 -1.542 3.630 10.343 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.675 4.859 8.312 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.439 5.522 9.446 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.772 6.075 8.970 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.329 7.048 9.908 1.00 0.00 N ATOM 1122 CZ ARG A 74 -7.586 7.480 9.869 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -8.423 7.027 8.943 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -8.010 8.366 10.761 1.00 0.00 N ATOM 0 H ARG A 74 -1.965 4.634 6.389 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.918 5.831 9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.980 5.309 7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.951 3.805 8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.608 4.799 10.244 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.839 6.328 9.868 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.642 6.545 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.478 5.255 8.837 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.717 7.418 10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.103 6.344 8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.386 7.362 8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.372 8.715 11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.974 8.698 10.732 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.198 2.749 8.302 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.651 1.502 8.814 1.00 0.00 C ATOM 1140 C LEU A 75 0.864 1.461 8.677 1.00 0.00 C ATOM 1141 O LEU A 75 1.410 0.654 7.924 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.276 0.310 8.088 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.738 0.018 8.427 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.001 -1.464 8.292 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.091 0.484 9.835 1.00 0.00 C ATOM 0 H LEU A 75 -1.242 2.805 7.284 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.895 1.443 9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.199 0.481 7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.686 -0.579 8.313 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.366 0.570 7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.043 -1.672 8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.796 -1.778 7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.353 -2.012 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.138 0.260 10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.460 -0.033 10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.928 1.559 9.914 1.00 0.00 H new ATOM 1157 N GLN A 76 1.537 2.319 9.426 1.00 0.00 N ATOM 1158 CA GLN A 76 2.991 2.370 9.411 1.00 0.00 C ATOM 1159 C GLN A 76 3.564 1.176 10.168 1.00 0.00 C ATOM 1160 O GLN A 76 4.732 0.824 10.010 1.00 0.00 O ATOM 1161 CB GLN A 76 3.482 3.676 10.033 1.00 0.00 C ATOM 1162 CG GLN A 76 3.520 4.838 9.054 1.00 0.00 C ATOM 1163 CD GLN A 76 4.718 5.742 9.266 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.861 5.335 9.062 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.461 6.978 9.680 1.00 0.00 N ATOM 0 H GLN A 76 1.098 2.992 10.054 1.00 0.00 H new ATOM 0 HA GLN A 76 3.333 2.328 8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.833 3.937 10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.481 3.522 10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.539 4.449 8.036 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.606 5.423 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.497 7.273 9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.227 7.632 9.841 1.00 0.00 H new ATOM 1174 N VAL A 77 2.717 0.552 10.983 1.00 0.00 N ATOM 1175 CA VAL A 77 3.111 -0.614 11.766 1.00 0.00 C ATOM 1176 C VAL A 77 3.408 -1.796 10.849 1.00 0.00 C ATOM 1177 O VAL A 77 4.183 -2.687 11.198 1.00 0.00 O ATOM 1178 CB VAL A 77 2.002 -1.013 12.770 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.640 -1.015 12.091 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.287 -2.373 13.399 1.00 0.00 C ATOM 0 H VAL A 77 1.747 0.838 11.118 1.00 0.00 H new ATOM 0 HA VAL A 77 4.010 -0.349 12.322 1.00 0.00 H new ATOM 0 HB VAL A 77 1.992 -0.270 13.568 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.126 -1.298 12.813 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.424 -0.019 11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.645 -1.730 11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.490 -2.624 14.099 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.337 -3.132 12.618 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.238 -2.336 13.930 1.00 0.00 H new ATOM 1190 N GLY A 78 2.779 -1.801 9.680 1.00 0.00 N ATOM 1191 CA GLY A 78 2.979 -2.882 8.741 1.00 0.00 C ATOM 1192 C GLY A 78 1.914 -3.935 8.877 1.00 0.00 C ATOM 1193 O GLY A 78 2.202 -5.091 9.187 1.00 0.00 O ATOM 0 H GLY A 78 2.135 -1.075 9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.975 -2.488 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.959 -3.331 8.905 1.00 0.00 H new ATOM 1197 N GLU A 79 0.678 -3.526 8.676 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.444 -4.430 8.810 1.00 0.00 C ATOM 1199 C GLU A 79 -1.491 -4.163 7.746 1.00 0.00 C ATOM 1200 O GLU A 79 -1.372 -3.218 6.967 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.057 -4.240 10.188 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.786 -5.458 10.722 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.274 -5.226 10.883 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.671 -4.595 11.886 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.043 -5.675 10.009 1.00 0.00 O ATOM 0 H GLU A 79 0.426 -2.572 8.419 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.092 -5.454 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.268 -3.967 10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.753 -3.402 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.625 -6.298 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.360 -5.738 11.685 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.528 -4.987 7.726 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.596 -4.808 6.768 1.00 0.00 C ATOM 1214 C VAL A 80 -4.558 -3.737 7.266 1.00 0.00 C ATOM 1215 O VAL A 80 -4.736 -3.573 8.472 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.367 -6.118 6.505 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.442 -5.903 5.449 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.413 -7.227 6.084 1.00 0.00 C ATOM 0 H VAL A 80 -2.648 -5.778 8.358 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.144 -4.497 5.826 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.854 -6.421 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.975 -6.838 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.144 -5.143 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.978 -5.574 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.976 -8.142 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.894 -6.934 5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.684 -7.400 6.876 1.00 0.00 H new ATOM 1228 N SER A 81 -5.160 -2.996 6.344 1.00 0.00 N ATOM 1229 CA SER A 81 -6.073 -1.923 6.721 1.00 0.00 C ATOM 1230 C SER A 81 -7.529 -2.324 6.505 1.00 0.00 C ATOM 1231 O SER A 81 -7.832 -3.255 5.758 1.00 0.00 O ATOM 1232 CB SER A 81 -5.759 -0.659 5.922 1.00 0.00 C ATOM 1233 OG SER A 81 -5.725 0.481 6.763 1.00 0.00 O ATOM 0 H SER A 81 -5.035 -3.116 5.339 1.00 0.00 H new ATOM 0 HA SER A 81 -5.932 -1.726 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.799 -0.772 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.511 -0.520 5.146 1.00 0.00 H new ATOM 0 HG SER A 81 -6.619 0.878 6.812 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.419 -1.620 7.196 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.851 -1.887 7.133 1.00 0.00 C ATOM 1241 C GLU A 82 -10.371 -1.962 5.698 1.00 0.00 C ATOM 1242 O GLU A 82 -9.797 -1.382 4.770 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.617 -0.807 7.900 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.303 -0.781 9.388 1.00 0.00 C ATOM 1245 CD GLU A 82 -9.481 0.428 9.789 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -9.957 1.565 9.587 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -8.361 0.239 10.308 1.00 0.00 O ATOM 0 H GLU A 82 -8.168 -0.849 7.815 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.015 -2.862 7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.383 0.167 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.687 -0.967 7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.235 -0.785 9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.763 -1.689 9.658 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.486 -2.678 5.499 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.096 -2.822 4.182 1.00 0.00 C ATOM 1256 C PRO A 83 -12.466 -1.471 3.587 1.00 0.00 C ATOM 1257 O PRO A 83 -13.424 -0.831 4.018 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.358 -3.654 4.446 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.603 -3.533 5.912 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.247 -3.391 6.538 1.00 0.00 C ATOM 0 HA PRO A 83 -11.418 -3.287 3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.205 -3.278 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.212 -4.694 4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.230 -2.669 6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.122 -4.411 6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.288 -2.827 7.470 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.805 -4.360 6.771 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.697 -1.043 2.596 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.942 0.238 1.943 1.00 0.00 C ATOM 1270 C VAL A 84 -12.658 0.038 0.614 1.00 0.00 C ATOM 1271 O VAL A 84 -12.043 -0.323 -0.388 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.626 0.998 1.675 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.894 2.275 0.894 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.902 1.309 2.973 1.00 0.00 C ATOM 0 H VAL A 84 -10.900 -1.561 2.226 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.565 0.823 2.620 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.982 0.355 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.954 2.796 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.359 2.027 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.562 2.918 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.978 1.845 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.539 1.927 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.668 0.379 3.491 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.964 0.286 0.615 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.769 0.141 -0.589 1.00 0.00 C ATOM 1286 C LYS A 85 -14.846 1.462 -1.346 1.00 0.00 C ATOM 1287 O LYS A 85 -15.446 2.427 -0.873 1.00 0.00 O ATOM 1288 CB LYS A 85 -16.177 -0.339 -0.225 1.00 0.00 C ATOM 1289 CG LYS A 85 -17.150 -0.343 -1.396 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.617 -1.160 -2.561 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.747 -1.785 -3.366 1.00 0.00 C ATOM 1292 NZ LYS A 85 -17.441 -3.189 -3.759 1.00 0.00 N ATOM 0 H LYS A 85 -14.486 0.588 1.437 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.296 -0.600 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.112 -1.347 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.575 0.300 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -18.108 -0.750 -1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.333 0.681 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -16.016 -0.522 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.959 -1.944 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.665 -1.765 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.928 -1.189 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.245 -3.229 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.608 -3.523 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.256 -3.797 -3.539 1.00 0.00 H new ATOM 1306 N SER A 86 -14.238 1.496 -2.526 1.00 0.00 N ATOM 1307 CA SER A 86 -14.243 2.697 -3.352 1.00 0.00 C ATOM 1308 C SER A 86 -15.024 2.458 -4.639 1.00 0.00 C ATOM 1309 O SER A 86 -15.645 1.410 -4.814 1.00 0.00 O ATOM 1310 CB SER A 86 -12.811 3.124 -3.680 1.00 0.00 C ATOM 1311 OG SER A 86 -11.961 2.964 -2.557 1.00 0.00 O ATOM 0 H SER A 86 -13.736 0.706 -2.932 1.00 0.00 H new ATOM 0 HA SER A 86 -14.729 3.496 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.433 2.531 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.803 4.166 -4.000 1.00 0.00 H new ATOM 0 HG SER A 86 -11.550 2.075 -2.582 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.984 3.433 -5.541 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.685 3.319 -6.815 1.00 0.00 C ATOM 1319 C GLU A 87 -15.207 2.095 -7.593 1.00 0.00 C ATOM 1320 O GLU A 87 -15.898 1.611 -8.489 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.472 4.583 -7.650 1.00 0.00 C ATOM 1322 CG GLU A 87 -14.009 4.884 -7.935 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.723 6.373 -8.002 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -14.646 7.139 -8.350 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.577 6.770 -7.706 1.00 0.00 O ATOM 0 H GLU A 87 -14.476 4.308 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.749 3.202 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.004 4.478 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.914 5.432 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.391 4.433 -7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.723 4.420 -8.879 1.00 0.00 H new ATOM 1332 N PHE A 88 -14.020 1.601 -7.247 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.449 0.440 -7.915 1.00 0.00 C ATOM 1334 C PHE A 88 -13.876 -0.860 -7.232 1.00 0.00 C ATOM 1335 O PHE A 88 -13.878 -1.923 -7.855 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.923 0.549 -7.938 1.00 0.00 C ATOM 1337 CG PHE A 88 -11.376 1.028 -9.252 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.222 2.383 -9.501 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -11.015 0.124 -10.238 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.717 2.827 -10.709 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -10.511 0.562 -11.449 1.00 0.00 C ATOM 1342 CZ PHE A 88 -10.362 1.915 -11.684 1.00 0.00 C ATOM 0 H PHE A 88 -13.436 1.989 -6.506 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.824 0.419 -8.938 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.604 1.231 -7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.494 -0.426 -7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.500 3.100 -8.743 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.129 -0.935 -10.059 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.600 3.885 -10.890 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.234 -0.153 -12.210 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.968 2.259 -12.629 1.00 0.00 H new ATOM 1352 N GLY A 89 -14.232 -0.776 -5.953 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.650 -1.963 -5.223 1.00 0.00 C ATOM 1354 C GLY A 89 -14.062 -2.035 -3.831 1.00 0.00 C ATOM 1355 O GLY A 89 -13.499 -1.062 -3.333 1.00 0.00 O ATOM 0 H GLY A 89 -14.239 0.088 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.738 -1.977 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.355 -2.850 -5.783 1.00 0.00 H new ATOM 1359 N TYR A 90 -14.194 -3.198 -3.204 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.675 -3.412 -1.867 1.00 0.00 C ATOM 1361 C TYR A 90 -12.156 -3.565 -1.917 1.00 0.00 C ATOM 1362 O TYR A 90 -11.639 -4.634 -2.241 1.00 0.00 O ATOM 1363 CB TYR A 90 -14.334 -4.657 -1.274 1.00 0.00 C ATOM 1364 CG TYR A 90 -15.214 -4.369 -0.077 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.449 -3.753 -0.236 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.813 -4.713 1.207 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.259 -3.488 0.851 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.619 -4.453 2.299 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.841 -3.840 2.115 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.646 -3.579 3.200 1.00 0.00 O ATOM 0 H TYR A 90 -14.660 -4.010 -3.608 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.904 -2.555 -1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.932 -5.143 -2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.557 -5.364 -0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.781 -3.477 -1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.856 -5.191 1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.216 -3.007 0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.294 -4.728 3.291 1.00 0.00 H new ATOM 0 HH TYR A 90 -18.378 -4.229 3.228 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.452 -2.475 -1.624 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.994 -2.465 -1.667 1.00 0.00 C ATOM 1382 C HIS A 91 -9.370 -3.063 -0.409 1.00 0.00 C ATOM 1383 O HIS A 91 -10.042 -3.273 0.602 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.491 -1.032 -1.857 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.852 -0.437 -3.182 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -11.145 -0.114 -3.535 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -9.080 -0.102 -4.242 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -11.152 0.390 -4.756 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.912 0.410 -5.206 1.00 0.00 N ATOM 0 H HIS A 91 -11.870 -1.585 -1.353 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.691 -3.086 -2.510 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.899 -0.405 -1.064 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.407 -1.020 -1.747 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.967 -0.244 -2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.009 -0.216 -4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -12.025 0.728 -5.295 1.00 0.00 H new ATOM 1398 N VAL A 92 -8.067 -3.318 -0.493 1.00 0.00 N ATOM 1399 CA VAL A 92 -7.299 -3.876 0.614 1.00 0.00 C ATOM 1400 C VAL A 92 -5.873 -3.338 0.563 1.00 0.00 C ATOM 1401 O VAL A 92 -5.390 -2.970 -0.508 1.00 0.00 O ATOM 1402 CB VAL A 92 -7.265 -5.415 0.563 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.565 -5.979 1.788 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.675 -5.975 0.438 1.00 0.00 C ATOM 0 H VAL A 92 -7.514 -3.143 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.784 -3.579 1.544 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.698 -5.717 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.553 -7.067 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.542 -5.606 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.098 -5.669 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.632 -7.064 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.268 -5.662 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.135 -5.601 -0.476 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.201 -3.268 1.708 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.841 -2.743 1.730 1.00 0.00 C ATOM 1416 C ILE A 93 -2.989 -3.343 2.847 1.00 0.00 C ATOM 1417 O ILE A 93 -3.364 -3.311 4.018 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.829 -1.202 1.868 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.254 -0.650 1.982 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -3.114 -0.571 0.680 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.305 0.831 2.288 1.00 0.00 C ATOM 0 H ILE A 93 -5.566 -3.561 2.614 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.405 -3.032 0.774 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.291 -0.947 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.784 -0.838 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.784 -1.193 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.113 0.513 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.087 -0.933 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.630 -0.842 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.344 1.153 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.804 1.024 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.804 1.384 1.494 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.822 -3.859 2.464 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.879 -4.443 3.412 1.00 0.00 C ATOM 1435 C LYS A 94 0.504 -3.829 3.206 1.00 0.00 C ATOM 1436 O LYS A 94 1.100 -3.964 2.137 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.811 -5.962 3.244 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.448 -6.695 4.525 1.00 0.00 C ATOM 1439 CD LYS A 94 0.981 -6.402 4.951 1.00 0.00 C ATOM 1440 CE LYS A 94 1.562 -7.542 5.769 1.00 0.00 C ATOM 1441 NZ LYS A 94 0.851 -7.716 7.066 1.00 0.00 N ATOM 0 H LYS A 94 -1.507 -3.883 1.494 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.223 -4.227 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.775 -6.324 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.076 -6.203 2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.133 -6.400 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.572 -7.768 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.598 -6.235 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.006 -5.483 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.502 -8.467 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.619 -7.352 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.532 -7.640 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.125 -6.978 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.398 -8.652 7.091 1.00 0.00 H new ATOM 1455 N ARG A 95 0.996 -3.121 4.220 1.00 0.00 N ATOM 1456 CA ARG A 95 2.288 -2.449 4.133 1.00 0.00 C ATOM 1457 C ARG A 95 3.416 -3.419 3.811 1.00 0.00 C ATOM 1458 O ARG A 95 3.522 -4.497 4.393 1.00 0.00 O ATOM 1459 CB ARG A 95 2.595 -1.716 5.440 1.00 0.00 C ATOM 1460 CG ARG A 95 2.962 -0.253 5.247 1.00 0.00 C ATOM 1461 CD ARG A 95 3.975 0.211 6.281 1.00 0.00 C ATOM 1462 NE ARG A 95 5.123 -0.691 6.368 1.00 0.00 N ATOM 1463 CZ ARG A 95 6.139 -0.682 5.509 1.00 0.00 C ATOM 1464 NH1 ARG A 95 6.156 0.176 4.497 1.00 0.00 N ATOM 1465 NH2 ARG A 95 7.142 -1.536 5.662 1.00 0.00 N ATOM 0 H ARG A 95 0.518 -2.998 5.113 1.00 0.00 H new ATOM 0 HA ARG A 95 2.223 -1.730 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.726 -1.780 6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.415 -2.224 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.370 -0.109 4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.064 0.360 5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.320 1.213 6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.493 0.279 7.256 1.00 0.00 H new ATOM 0 HE ARG A 95 5.146 -1.366 7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.387 0.834 4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.938 0.177 3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.134 -2.199 6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.922 -1.530 5.004 1.00 0.00 H new ATOM 1479 N LEU A 96 4.258 -3.004 2.873 1.00 0.00 N ATOM 1480 CA LEU A 96 5.387 -3.782 2.440 1.00 0.00 C ATOM 1481 C LEU A 96 6.439 -2.865 1.820 1.00 0.00 C ATOM 1482 O LEU A 96 6.199 -2.213 0.803 1.00 0.00 O ATOM 1483 CB LEU A 96 4.932 -4.844 1.436 1.00 0.00 C ATOM 1484 CG LEU A 96 5.149 -4.509 -0.046 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.600 -4.749 -0.442 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.209 -5.325 -0.921 1.00 0.00 C ATOM 0 H LEU A 96 4.166 -2.108 2.394 1.00 0.00 H new ATOM 0 HA LEU A 96 5.831 -4.287 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.457 -5.773 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.870 -5.032 1.593 1.00 0.00 H new ATOM 0 HG LEU A 96 4.925 -3.453 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.734 -4.506 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.251 -4.117 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.854 -5.796 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.377 -5.074 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.399 -6.387 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.176 -5.099 -0.655 1.00 0.00 H new ATOM 1498 N GLY A 97 7.596 -2.816 2.444 1.00 0.00 N ATOM 1499 CA GLY A 97 8.671 -1.983 1.946 1.00 0.00 C ATOM 1500 C GLY A 97 10.033 -2.433 2.440 1.00 0.00 C ATOM 1501 O GLY A 97 10.416 -3.587 2.153 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.716 -1.631 3.111 1.00 0.00 O ATOM 0 H GLY A 97 7.817 -3.339 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.661 -1.996 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.499 -0.952 2.254 1.00 0.00 H new TER 1506 GLY A 97