USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 758 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 90 SER OG : rot -102:sc= 0.0846 USER MOD Set 1.2: A 92 HIS :FLIP no HE2:sc= -4.87! C(o=-7!,f=-4.8!) USER MOD Set 2.1: A 79 THR OG1 : rot -81:sc= 0.014 USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= 0.0134 USER MOD Set 3.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 78 TYR OH : rot 61:sc= 0.159 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0472 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -76:sc= 0.257 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -6.19! C(o=-6.2!,f=-12!) USER MOD Single : A 30 CYS SG : rot 180:sc= -2.48! USER MOD Single : A 33 SER OG : rot 111:sc= -0.427 USER MOD Single : A 37 THR OG1 : rot 113:sc= -1.11 USER MOD Single : A 40 HIS : no HE2:sc= -0.0586 X(o=-0.059,f=-0.28) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 52 GLN : amide:sc= -0.932 K(o=-0.93,f=-4.5!) USER MOD Single : A 53 LYS NZ :NH3+ -151:sc=-0.00969 (180deg=-0.863) USER MOD Single : A 58 CYS SG : rot 179:sc= 0.664 USER MOD Single : A 61 THR OG1 : rot 56:sc= -0.155 USER MOD Single : A 62 MET CE :methyl 169:sc= 0 (180deg=-0.0591) USER MOD Single : A 64 MET CE :methyl 161:sc= -0.249 (180deg=-0.96) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 107:sc= -2.06! USER MOD Single : A 85 SER OG : rot -160:sc= -0.0893 USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0258) USER MOD Single : A 87 SER OG : rot 50:sc= 0.0254 USER MOD Single : A 96 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.532) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -58:sc= 0.388 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.554 13.372 0.151 1.00 0.00 N ATOM 2 CA GLY A 1 21.139 13.057 0.218 1.00 0.00 C ATOM 3 C GLY A 1 20.361 14.063 1.043 1.00 0.00 C ATOM 4 O GLY A 1 20.782 15.209 1.197 1.00 0.00 O ATOM 0 H1 GLY A 1 22.872 13.334 -0.839 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.715 14.327 0.530 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.090 12.681 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.729 13.024 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.011 12.063 0.647 1.00 0.00 H new ATOM 8 N SER A 2 19.220 13.634 1.574 1.00 0.00 N ATOM 9 CA SER A 2 18.378 14.507 2.384 1.00 0.00 C ATOM 10 C SER A 2 18.281 15.897 1.762 1.00 0.00 C ATOM 11 O SER A 2 18.342 16.907 2.462 1.00 0.00 O ATOM 12 CB SER A 2 18.931 14.609 3.806 1.00 0.00 C ATOM 13 OG SER A 2 18.438 13.561 4.622 1.00 0.00 O ATOM 0 H SER A 2 18.858 12.688 1.458 1.00 0.00 H new ATOM 0 HA SER A 2 17.378 14.074 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.020 14.572 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.656 15.571 4.238 1.00 0.00 H new ATOM 0 HG SER A 2 18.808 13.648 5.525 1.00 0.00 H new ATOM 19 N SER A 3 18.130 15.939 0.442 1.00 0.00 N ATOM 20 CA SER A 3 18.029 17.204 -0.275 1.00 0.00 C ATOM 21 C SER A 3 17.150 17.057 -1.514 1.00 0.00 C ATOM 22 O SER A 3 16.730 15.955 -1.864 1.00 0.00 O ATOM 23 CB SER A 3 19.419 17.699 -0.679 1.00 0.00 C ATOM 24 OG SER A 3 20.136 16.694 -1.374 1.00 0.00 O ATOM 0 H SER A 3 18.075 15.112 -0.152 1.00 0.00 H new ATOM 0 HA SER A 3 17.570 17.935 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.325 18.584 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.975 17.998 0.210 1.00 0.00 H new ATOM 0 HG SER A 3 20.467 16.028 -0.736 1.00 0.00 H new ATOM 30 N GLY A 4 16.876 18.178 -2.175 1.00 0.00 N ATOM 31 CA GLY A 4 16.049 18.154 -3.367 1.00 0.00 C ATOM 32 C GLY A 4 15.560 19.533 -3.761 1.00 0.00 C ATOM 33 O GLY A 4 16.360 20.439 -3.995 1.00 0.00 O ATOM 0 H GLY A 4 17.212 19.103 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.618 17.724 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.192 17.503 -3.198 1.00 0.00 H new ATOM 37 N SER A 5 14.243 19.693 -3.837 1.00 0.00 N ATOM 38 CA SER A 5 13.648 20.970 -4.212 1.00 0.00 C ATOM 39 C SER A 5 12.834 21.550 -3.059 1.00 0.00 C ATOM 40 O SER A 5 12.466 20.837 -2.125 1.00 0.00 O ATOM 41 CB SER A 5 12.757 20.800 -5.445 1.00 0.00 C ATOM 42 OG SER A 5 12.682 22.004 -6.189 1.00 0.00 O ATOM 0 H SER A 5 13.567 18.954 -3.644 1.00 0.00 H new ATOM 0 HA SER A 5 14.456 21.663 -4.449 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.151 20.003 -6.075 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.757 20.497 -5.136 1.00 0.00 H new ATOM 0 HG SER A 5 12.109 21.869 -6.972 1.00 0.00 H new ATOM 48 N SER A 6 12.558 22.848 -3.132 1.00 0.00 N ATOM 49 CA SER A 6 11.792 23.526 -2.093 1.00 0.00 C ATOM 50 C SER A 6 10.373 23.821 -2.570 1.00 0.00 C ATOM 51 O SER A 6 10.091 23.798 -3.767 1.00 0.00 O ATOM 52 CB SER A 6 12.485 24.827 -1.684 1.00 0.00 C ATOM 53 OG SER A 6 13.526 24.580 -0.755 1.00 0.00 O ATOM 0 H SER A 6 12.853 23.451 -3.900 1.00 0.00 H new ATOM 0 HA SER A 6 11.737 22.865 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.891 25.320 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.756 25.509 -1.246 1.00 0.00 H new ATOM 0 HG SER A 6 13.954 25.427 -0.511 1.00 0.00 H new ATOM 59 N GLY A 7 9.482 24.098 -1.622 1.00 0.00 N ATOM 60 CA GLY A 7 8.103 24.393 -1.963 1.00 0.00 C ATOM 61 C GLY A 7 7.139 23.351 -1.434 1.00 0.00 C ATOM 62 O GLY A 7 7.453 22.592 -0.516 1.00 0.00 O ATOM 0 H GLY A 7 9.691 24.123 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.834 25.370 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.006 24.456 -3.047 1.00 0.00 H new ATOM 66 N PRO A 8 5.932 23.304 -2.018 1.00 0.00 N ATOM 67 CA PRO A 8 4.893 22.352 -1.614 1.00 0.00 C ATOM 68 C PRO A 8 5.242 20.918 -1.997 1.00 0.00 C ATOM 69 O PRO A 8 5.888 20.677 -3.016 1.00 0.00 O ATOM 70 CB PRO A 8 3.658 22.826 -2.385 1.00 0.00 C ATOM 71 CG PRO A 8 4.205 23.542 -3.572 1.00 0.00 C ATOM 72 CD PRO A 8 5.489 24.178 -3.117 1.00 0.00 C ATOM 0 HA PRO A 8 4.755 22.333 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.031 21.986 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.039 23.485 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.382 22.852 -4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.503 24.294 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.225 24.218 -3.920 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.332 25.202 -2.778 1.00 0.00 H new ATOM 80 N ALA A 9 4.809 19.969 -1.173 1.00 0.00 N ATOM 81 CA ALA A 9 5.074 18.558 -1.428 1.00 0.00 C ATOM 82 C ALA A 9 3.775 17.781 -1.617 1.00 0.00 C ATOM 83 O ALA A 9 3.634 16.661 -1.127 1.00 0.00 O ATOM 84 CB ALA A 9 5.888 17.960 -0.289 1.00 0.00 C ATOM 0 H ALA A 9 4.274 20.151 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 9 5.650 18.482 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.079 16.906 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.836 18.490 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.333 18.055 0.644 1.00 0.00 H new ATOM 90 N ALA A 10 2.830 18.384 -2.330 1.00 0.00 N ATOM 91 CA ALA A 10 1.543 17.747 -2.585 1.00 0.00 C ATOM 92 C ALA A 10 1.710 16.495 -3.439 1.00 0.00 C ATOM 93 O ALA A 10 2.821 16.150 -3.841 1.00 0.00 O ATOM 94 CB ALA A 10 0.595 18.727 -3.260 1.00 0.00 C ATOM 0 H ALA A 10 2.931 19.312 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 10 1.117 17.447 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.362 18.239 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.443 19.591 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.024 19.055 -4.207 1.00 0.00 H new ATOM 100 N ILE A 11 0.599 15.818 -3.711 1.00 0.00 N ATOM 101 CA ILE A 11 0.623 14.605 -4.518 1.00 0.00 C ATOM 102 C ILE A 11 0.190 14.889 -5.952 1.00 0.00 C ATOM 103 O ILE A 11 -0.919 15.367 -6.193 1.00 0.00 O ATOM 104 CB ILE A 11 -0.291 13.516 -3.924 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.149 13.171 -2.500 1.00 0.00 C ATOM 106 CG2 ILE A 11 -0.276 12.275 -4.804 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.915 12.459 -1.694 1.00 0.00 C ATOM 0 H ILE A 11 -0.328 16.089 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 11 1.652 14.246 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.311 13.899 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.039 12.544 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.431 14.088 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.926 11.514 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.632 12.532 -5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.741 11.888 -4.870 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.533 12.246 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.798 13.093 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.181 11.524 -2.188 1.00 0.00 H new ATOM 119 N ILE A 12 1.072 14.591 -6.900 1.00 0.00 N ATOM 120 CA ILE A 12 0.780 14.811 -8.311 1.00 0.00 C ATOM 121 C ILE A 12 0.135 13.580 -8.938 1.00 0.00 C ATOM 122 O ILE A 12 -0.739 13.692 -9.798 1.00 0.00 O ATOM 123 CB ILE A 12 2.053 15.169 -9.101 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.279 14.522 -8.453 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.222 16.679 -9.177 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.855 15.329 -7.311 1.00 0.00 C ATOM 0 H ILE A 12 1.995 14.197 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 12 0.084 15.648 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 12 1.955 14.783 -10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.006 13.532 -8.087 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.049 14.380 -9.212 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.126 16.916 -9.738 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.359 17.117 -9.678 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.303 17.087 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.721 14.811 -6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.159 16.310 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.101 15.449 -6.533 1.00 0.00 H new ATOM 138 N LYS A 13 0.572 12.403 -8.502 1.00 0.00 N ATOM 139 CA LYS A 13 0.036 11.149 -9.017 1.00 0.00 C ATOM 140 C LYS A 13 -0.689 10.375 -7.920 1.00 0.00 C ATOM 141 O LYS A 13 -0.078 9.855 -6.986 1.00 0.00 O ATOM 142 CB LYS A 13 1.161 10.292 -9.601 1.00 0.00 C ATOM 143 CG LYS A 13 1.811 10.899 -10.833 1.00 0.00 C ATOM 144 CD LYS A 13 2.755 9.917 -11.506 1.00 0.00 C ATOM 145 CE LYS A 13 2.042 9.100 -12.572 1.00 0.00 C ATOM 146 NZ LYS A 13 2.954 8.120 -13.223 1.00 0.00 N ATOM 0 H LYS A 13 1.296 12.292 -7.793 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.680 11.385 -9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.923 10.138 -8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.763 9.310 -9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.039 11.205 -11.539 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.360 11.798 -10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.585 10.460 -11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.180 9.248 -10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.202 8.571 -12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.630 9.769 -13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.430 7.583 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.742 8.626 -13.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.328 7.465 -12.507 1.00 0.00 H new ATOM 160 N PRO A 14 -2.023 10.295 -8.034 1.00 0.00 N ATOM 161 CA PRO A 14 -2.859 9.585 -7.062 1.00 0.00 C ATOM 162 C PRO A 14 -2.665 8.074 -7.124 1.00 0.00 C ATOM 163 O PRO A 14 -2.225 7.536 -8.141 1.00 0.00 O ATOM 164 CB PRO A 14 -4.284 9.959 -7.480 1.00 0.00 C ATOM 165 CG PRO A 14 -4.180 10.285 -8.930 1.00 0.00 C ATOM 166 CD PRO A 14 -2.817 10.891 -9.121 1.00 0.00 C ATOM 0 HA PRO A 14 -2.614 9.861 -6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.976 9.135 -7.308 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.654 10.810 -6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.298 9.390 -9.541 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.963 10.982 -9.231 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.403 10.649 -10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.847 11.978 -9.047 1.00 0.00 H new ATOM 174 N LEU A 15 -2.996 7.394 -6.032 1.00 0.00 N ATOM 175 CA LEU A 15 -2.858 5.943 -5.963 1.00 0.00 C ATOM 176 C LEU A 15 -3.727 5.263 -7.016 1.00 0.00 C ATOM 177 O LEU A 15 -4.492 5.920 -7.721 1.00 0.00 O ATOM 178 CB LEU A 15 -3.239 5.441 -4.569 1.00 0.00 C ATOM 179 CG LEU A 15 -2.319 5.873 -3.426 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.945 5.536 -2.081 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.954 5.214 -3.561 1.00 0.00 C ATOM 0 H LEU A 15 -3.362 7.824 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.816 5.692 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.249 5.783 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.269 4.352 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.185 6.953 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.277 5.850 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.898 6.055 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.109 4.460 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.313 5.533 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.069 4.130 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.501 5.506 -4.509 1.00 0.00 H new ATOM 193 N GLU A 16 -3.605 3.943 -7.114 1.00 0.00 N ATOM 194 CA GLU A 16 -4.381 3.174 -8.080 1.00 0.00 C ATOM 195 C GLU A 16 -4.872 1.867 -7.466 1.00 0.00 C ATOM 196 O GLU A 16 -4.358 1.417 -6.441 1.00 0.00 O ATOM 197 CB GLU A 16 -3.541 2.882 -9.325 1.00 0.00 C ATOM 198 CG GLU A 16 -3.037 4.132 -10.026 1.00 0.00 C ATOM 199 CD GLU A 16 -2.014 3.824 -11.103 1.00 0.00 C ATOM 200 OE1 GLU A 16 -0.832 3.616 -10.756 1.00 0.00 O ATOM 201 OE2 GLU A 16 -2.395 3.791 -12.291 1.00 0.00 O ATOM 0 H GLU A 16 -2.977 3.384 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.248 3.769 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.688 2.266 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.137 2.298 -10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.880 4.660 -10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.594 4.803 -9.290 1.00 0.00 H new ATOM 208 N ASP A 17 -5.871 1.261 -8.098 1.00 0.00 N ATOM 209 CA ASP A 17 -6.433 0.005 -7.616 1.00 0.00 C ATOM 210 C ASP A 17 -5.515 -1.165 -7.952 1.00 0.00 C ATOM 211 O ASP A 17 -5.181 -1.390 -9.115 1.00 0.00 O ATOM 212 CB ASP A 17 -7.818 -0.226 -8.223 1.00 0.00 C ATOM 213 CG ASP A 17 -7.866 0.114 -9.700 1.00 0.00 C ATOM 214 OD1 ASP A 17 -6.799 0.100 -10.347 1.00 0.00 O ATOM 215 OD2 ASP A 17 -8.972 0.394 -10.208 1.00 0.00 O ATOM 0 H ASP A 17 -6.309 1.620 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.527 0.070 -6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.103 -1.269 -8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.551 0.379 -7.690 1.00 0.00 H new ATOM 220 N GLN A 18 -5.109 -1.907 -6.926 1.00 0.00 N ATOM 221 CA GLN A 18 -4.228 -3.053 -7.114 1.00 0.00 C ATOM 222 C GLN A 18 -5.003 -4.361 -6.994 1.00 0.00 C ATOM 223 O GLN A 18 -5.879 -4.498 -6.140 1.00 0.00 O ATOM 224 CB GLN A 18 -3.093 -3.023 -6.089 1.00 0.00 C ATOM 225 CG GLN A 18 -1.864 -2.265 -6.564 1.00 0.00 C ATOM 226 CD GLN A 18 -2.214 -0.972 -7.273 1.00 0.00 C ATOM 227 OE1 GLN A 18 -2.955 -0.970 -8.256 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.681 0.139 -6.777 1.00 0.00 N ATOM 0 H GLN A 18 -5.376 -1.735 -5.957 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.805 -2.994 -8.117 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.458 -2.567 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.807 -4.046 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.225 -2.045 -5.709 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.288 -2.900 -7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.072 0.092 -5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.881 1.039 -7.213 1.00 0.00 H new ATOM 237 N TRP A 19 -4.674 -5.318 -7.854 1.00 0.00 N ATOM 238 CA TRP A 19 -5.340 -6.615 -7.844 1.00 0.00 C ATOM 239 C TRP A 19 -4.340 -7.739 -7.594 1.00 0.00 C ATOM 240 O TRP A 19 -3.506 -8.041 -8.447 1.00 0.00 O ATOM 241 CB TRP A 19 -6.067 -6.849 -9.170 1.00 0.00 C ATOM 242 CG TRP A 19 -7.416 -6.198 -9.230 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.595 -6.711 -8.768 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.725 -4.915 -9.785 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.618 -5.824 -9.003 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.110 -4.714 -9.625 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.966 -3.915 -10.399 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.749 -3.556 -10.058 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.602 -2.766 -10.829 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.982 -2.593 -10.657 1.00 0.00 C ATOM 0 H TRP A 19 -3.951 -5.220 -8.566 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.068 -6.615 -7.033 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.452 -6.469 -9.986 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.181 -7.921 -9.329 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -8.707 -7.672 -8.289 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.597 -5.969 -8.755 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.902 -4.038 -10.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.812 -3.422 -9.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.025 -1.987 -11.306 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.449 -1.683 -11.003 1.00 0.00 H new ATOM 261 N VAL A 20 -4.430 -8.355 -6.420 1.00 0.00 N ATOM 262 CA VAL A 20 -3.534 -9.447 -6.058 1.00 0.00 C ATOM 263 C VAL A 20 -4.307 -10.619 -5.464 1.00 0.00 C ATOM 264 O VAL A 20 -5.536 -10.607 -5.423 1.00 0.00 O ATOM 265 CB VAL A 20 -2.466 -8.985 -5.048 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.671 -7.816 -5.609 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.113 -8.614 -3.723 1.00 0.00 C ATOM 0 H VAL A 20 -5.115 -8.116 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.041 -9.769 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.776 -9.810 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.922 -7.503 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.177 -8.121 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.344 -6.984 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.345 -8.290 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.826 -7.804 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.633 -9.481 -3.317 1.00 0.00 H new ATOM 277 N ALA A 21 -3.577 -11.630 -5.005 1.00 0.00 N ATOM 278 CA ALA A 21 -4.193 -12.809 -4.411 1.00 0.00 C ATOM 279 C ALA A 21 -3.992 -12.831 -2.899 1.00 0.00 C ATOM 280 O ALA A 21 -3.137 -12.134 -2.352 1.00 0.00 O ATOM 281 CB ALA A 21 -3.627 -14.074 -5.039 1.00 0.00 C ATOM 0 H ALA A 21 -2.558 -11.656 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.264 -12.767 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.096 -14.947 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.828 -14.070 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.551 -14.113 -4.872 1.00 0.00 H new ATOM 287 N PRO A 22 -4.797 -13.650 -2.206 1.00 0.00 N ATOM 288 CA PRO A 22 -4.727 -13.781 -0.748 1.00 0.00 C ATOM 289 C PRO A 22 -3.454 -14.486 -0.290 1.00 0.00 C ATOM 290 O PRO A 22 -3.449 -15.696 -0.067 1.00 0.00 O ATOM 291 CB PRO A 22 -5.958 -14.626 -0.408 1.00 0.00 C ATOM 292 CG PRO A 22 -6.240 -15.400 -1.649 1.00 0.00 C ATOM 293 CD PRO A 22 -5.839 -14.510 -2.793 1.00 0.00 C ATOM 0 HA PRO A 22 -4.709 -12.811 -0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.763 -15.288 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.805 -13.998 -0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.676 -16.333 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.295 -15.665 -1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.457 -15.086 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.682 -13.926 -3.162 1.00 0.00 H new ATOM 301 N GLY A 23 -2.376 -13.721 -0.152 1.00 0.00 N ATOM 302 CA GLY A 23 -1.112 -14.290 0.278 1.00 0.00 C ATOM 303 C GLY A 23 0.081 -13.558 -0.302 1.00 0.00 C ATOM 304 O GLY A 23 1.219 -13.794 0.103 1.00 0.00 O ATOM 0 H GLY A 23 -2.355 -12.717 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.057 -14.263 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.070 -15.338 -0.018 1.00 0.00 H new ATOM 308 N GLU A 24 -0.178 -12.669 -1.256 1.00 0.00 N ATOM 309 CA GLU A 24 0.885 -11.902 -1.895 1.00 0.00 C ATOM 310 C GLU A 24 1.126 -10.588 -1.158 1.00 0.00 C ATOM 311 O GLU A 24 0.486 -10.305 -0.145 1.00 0.00 O ATOM 312 CB GLU A 24 0.534 -11.623 -3.357 1.00 0.00 C ATOM 313 CG GLU A 24 0.179 -12.871 -4.148 1.00 0.00 C ATOM 314 CD GLU A 24 0.467 -12.725 -5.629 1.00 0.00 C ATOM 315 OE1 GLU A 24 -0.191 -11.887 -6.281 1.00 0.00 O ATOM 316 OE2 GLU A 24 1.349 -13.448 -6.137 1.00 0.00 O ATOM 0 H GLU A 24 -1.115 -12.462 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 24 1.800 -12.494 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.306 -10.929 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.378 -11.128 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.741 -13.718 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.878 -13.097 -4.008 1.00 0.00 H new ATOM 323 N ASP A 25 2.055 -9.790 -1.673 1.00 0.00 N ATOM 324 CA ASP A 25 2.382 -8.505 -1.065 1.00 0.00 C ATOM 325 C ASP A 25 2.003 -7.354 -1.992 1.00 0.00 C ATOM 326 O ASP A 25 2.438 -7.300 -3.142 1.00 0.00 O ATOM 327 CB ASP A 25 3.873 -8.439 -0.732 1.00 0.00 C ATOM 328 CG ASP A 25 4.748 -8.706 -1.940 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.950 -9.892 -2.276 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.233 -7.730 -2.550 1.00 0.00 O ATOM 0 H ASP A 25 2.595 -10.010 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 25 1.808 -8.410 -0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.109 -7.455 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.101 -9.167 0.046 1.00 0.00 H new ATOM 335 N VAL A 26 1.189 -6.434 -1.482 1.00 0.00 N ATOM 336 CA VAL A 26 0.752 -5.284 -2.264 1.00 0.00 C ATOM 337 C VAL A 26 1.736 -4.127 -2.137 1.00 0.00 C ATOM 338 O VAL A 26 2.430 -3.997 -1.129 1.00 0.00 O ATOM 339 CB VAL A 26 -0.645 -4.805 -1.825 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.976 -3.466 -2.464 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.698 -5.846 -2.172 1.00 0.00 C ATOM 0 H VAL A 26 0.820 -6.463 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 26 0.708 -5.607 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.641 -4.672 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.966 -3.144 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.237 -2.725 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.962 -3.567 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.679 -5.491 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.703 -6.013 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.468 -6.781 -1.661 1.00 0.00 H new ATOM 351 N GLU A 27 1.791 -3.288 -3.167 1.00 0.00 N ATOM 352 CA GLU A 27 2.692 -2.141 -3.170 1.00 0.00 C ATOM 353 C GLU A 27 2.020 -0.923 -3.797 1.00 0.00 C ATOM 354 O GLU A 27 1.776 -0.886 -5.003 1.00 0.00 O ATOM 355 CB GLU A 27 3.977 -2.476 -3.930 1.00 0.00 C ATOM 356 CG GLU A 27 4.734 -3.660 -3.354 1.00 0.00 C ATOM 357 CD GLU A 27 5.785 -4.199 -4.304 1.00 0.00 C ATOM 358 OE1 GLU A 27 6.224 -3.443 -5.196 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.169 -5.379 -4.157 1.00 0.00 O ATOM 0 H GLU A 27 1.223 -3.381 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 27 2.941 -1.904 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.729 -2.685 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.629 -1.603 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.212 -3.362 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.028 -4.454 -3.111 1.00 0.00 H new ATOM 366 N LEU A 28 1.722 0.073 -2.969 1.00 0.00 N ATOM 367 CA LEU A 28 1.078 1.293 -3.440 1.00 0.00 C ATOM 368 C LEU A 28 2.074 2.446 -3.503 1.00 0.00 C ATOM 369 O LEU A 28 2.363 3.086 -2.491 1.00 0.00 O ATOM 370 CB LEU A 28 -0.091 1.663 -2.525 1.00 0.00 C ATOM 371 CG LEU A 28 -1.020 0.516 -2.127 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.717 0.826 -0.811 1.00 0.00 C ATOM 373 CD2 LEU A 28 -2.041 0.253 -3.224 1.00 0.00 C ATOM 0 H LEU A 28 1.917 0.059 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 28 0.700 1.109 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.312 2.110 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.686 2.430 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.419 -0.384 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.374 -0.001 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.971 0.965 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.306 1.737 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.694 -0.566 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.637 1.150 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.524 -0.014 -4.146 1.00 0.00 H new ATOM 385 N ARG A 29 2.596 2.707 -4.697 1.00 0.00 N ATOM 386 CA ARG A 29 3.559 3.784 -4.892 1.00 0.00 C ATOM 387 C ARG A 29 2.864 5.056 -5.369 1.00 0.00 C ATOM 388 O ARG A 29 1.775 5.002 -5.942 1.00 0.00 O ATOM 389 CB ARG A 29 4.627 3.364 -5.903 1.00 0.00 C ATOM 390 CG ARG A 29 5.458 2.174 -5.452 1.00 0.00 C ATOM 391 CD ARG A 29 6.633 1.929 -6.386 1.00 0.00 C ATOM 392 NE ARG A 29 7.051 0.530 -6.385 1.00 0.00 N ATOM 393 CZ ARG A 29 8.030 0.054 -7.147 1.00 0.00 C ATOM 394 NH1 ARG A 29 8.689 0.862 -7.966 1.00 0.00 N ATOM 395 NH2 ARG A 29 8.352 -1.232 -7.090 1.00 0.00 N ATOM 0 H ARG A 29 2.368 2.187 -5.544 1.00 0.00 H new ATOM 0 HA ARG A 29 4.036 3.989 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.144 3.121 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.290 4.209 -6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.826 2.348 -4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.830 1.284 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.359 2.225 -7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.471 2.558 -6.086 1.00 0.00 H new ATOM 0 HE ARG A 29 6.565 -0.118 -5.765 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.445 1.851 -8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.440 0.494 -8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.848 -1.857 -6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.104 -1.596 -7.676 1.00 0.00 H new ATOM 409 N CYS A 30 3.500 6.197 -5.128 1.00 0.00 N ATOM 410 CA CYS A 30 2.942 7.483 -5.531 1.00 0.00 C ATOM 411 C CYS A 30 4.050 8.470 -5.882 1.00 0.00 C ATOM 412 O CYS A 30 5.228 8.115 -5.897 1.00 0.00 O ATOM 413 CB CYS A 30 2.067 8.055 -4.415 1.00 0.00 C ATOM 414 SG CYS A 30 2.968 9.063 -3.214 1.00 0.00 S ATOM 0 H CYS A 30 4.402 6.258 -4.656 1.00 0.00 H new ATOM 0 HA CYS A 30 2.328 7.323 -6.418 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.277 8.660 -4.861 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.581 7.232 -3.891 1.00 0.00 H new ATOM 0 HG CYS A 30 2.143 9.503 -2.311 1.00 0.00 H new ATOM 420 N GLU A 31 3.663 9.710 -6.166 1.00 0.00 N ATOM 421 CA GLU A 31 4.625 10.747 -6.520 1.00 0.00 C ATOM 422 C GLU A 31 4.354 12.030 -5.739 1.00 0.00 C ATOM 423 O GLU A 31 3.212 12.481 -5.641 1.00 0.00 O ATOM 424 CB GLU A 31 4.573 11.032 -8.023 1.00 0.00 C ATOM 425 CG GLU A 31 5.860 11.619 -8.576 1.00 0.00 C ATOM 426 CD GLU A 31 6.337 12.824 -7.789 1.00 0.00 C ATOM 427 OE1 GLU A 31 5.890 13.949 -8.095 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.158 12.641 -6.866 1.00 0.00 O ATOM 0 H GLU A 31 2.691 10.020 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 31 5.620 10.386 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.349 10.106 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.753 11.721 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.637 10.854 -8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.706 11.907 -9.616 1.00 0.00 H new ATOM 435 N LEU A 32 5.411 12.612 -5.184 1.00 0.00 N ATOM 436 CA LEU A 32 5.289 13.842 -4.410 1.00 0.00 C ATOM 437 C LEU A 32 6.082 14.973 -5.056 1.00 0.00 C ATOM 438 O LEU A 32 7.241 14.796 -5.433 1.00 0.00 O ATOM 439 CB LEU A 32 5.775 13.618 -2.977 1.00 0.00 C ATOM 440 CG LEU A 32 5.327 12.315 -2.313 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.342 11.871 -1.271 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.952 12.484 -1.682 1.00 0.00 C ATOM 0 H LEU A 32 6.363 12.252 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 32 4.237 14.125 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.865 13.648 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.432 14.452 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 32 5.261 11.543 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.007 10.942 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.308 11.710 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.440 12.642 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.649 11.547 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.992 13.270 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.229 12.756 -2.452 1.00 0.00 H new ATOM 454 N SER A 33 5.451 16.136 -5.180 1.00 0.00 N ATOM 455 CA SER A 33 6.097 17.296 -5.783 1.00 0.00 C ATOM 456 C SER A 33 7.439 17.580 -5.113 1.00 0.00 C ATOM 457 O SER A 33 8.313 18.221 -5.697 1.00 0.00 O ATOM 458 CB SER A 33 5.191 18.525 -5.675 1.00 0.00 C ATOM 459 OG SER A 33 4.652 18.648 -4.370 1.00 0.00 O ATOM 0 H SER A 33 4.493 16.300 -4.871 1.00 0.00 H new ATOM 0 HA SER A 33 6.275 17.075 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.758 19.422 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.381 18.449 -6.401 1.00 0.00 H new ATOM 0 HG SER A 33 5.048 19.426 -3.925 1.00 0.00 H new ATOM 465 N ARG A 34 7.594 17.097 -3.885 1.00 0.00 N ATOM 466 CA ARG A 34 8.827 17.298 -3.135 1.00 0.00 C ATOM 467 C ARG A 34 9.164 16.065 -2.302 1.00 0.00 C ATOM 468 O ARG A 34 8.307 15.520 -1.607 1.00 0.00 O ATOM 469 CB ARG A 34 8.702 18.522 -2.226 1.00 0.00 C ATOM 470 CG ARG A 34 9.854 18.673 -1.245 1.00 0.00 C ATOM 471 CD ARG A 34 9.689 19.911 -0.378 1.00 0.00 C ATOM 472 NE ARG A 34 10.865 20.158 0.452 1.00 0.00 N ATOM 473 CZ ARG A 34 11.135 19.484 1.564 1.00 0.00 C ATOM 474 NH1 ARG A 34 10.318 18.525 1.977 1.00 0.00 N ATOM 475 NH2 ARG A 34 12.225 19.767 2.265 1.00 0.00 N ATOM 0 H ARG A 34 6.881 16.563 -3.388 1.00 0.00 H new ATOM 0 HA ARG A 34 9.634 17.465 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.642 19.418 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.768 18.456 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.911 17.788 -0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.794 18.734 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.506 20.777 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.813 19.793 0.260 1.00 0.00 H new ATOM 0 HE ARG A 34 11.515 20.889 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.479 18.303 1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.528 18.009 2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.857 20.503 1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.431 19.249 3.119 1.00 0.00 H new ATOM 489 N ALA A 35 10.418 15.631 -2.377 1.00 0.00 N ATOM 490 CA ALA A 35 10.869 14.464 -1.630 1.00 0.00 C ATOM 491 C ALA A 35 10.881 14.743 -0.130 1.00 0.00 C ATOM 492 O ALA A 35 10.598 15.858 0.305 1.00 0.00 O ATOM 493 CB ALA A 35 12.251 14.037 -2.100 1.00 0.00 C ATOM 0 H ALA A 35 11.140 16.071 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 35 10.167 13.651 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.575 13.164 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.214 13.787 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.957 14.853 -1.944 1.00 0.00 H new ATOM 499 N GLY A 36 11.210 13.722 0.655 1.00 0.00 N ATOM 500 CA GLY A 36 11.251 13.878 2.097 1.00 0.00 C ATOM 501 C GLY A 36 10.007 14.550 2.643 1.00 0.00 C ATOM 502 O GLY A 36 10.085 15.618 3.252 1.00 0.00 O ATOM 0 H GLY A 36 11.449 12.789 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.365 12.899 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.127 14.465 2.371 1.00 0.00 H new ATOM 506 N THR A 37 8.854 13.925 2.425 1.00 0.00 N ATOM 507 CA THR A 37 7.588 14.470 2.897 1.00 0.00 C ATOM 508 C THR A 37 6.778 13.414 3.641 1.00 0.00 C ATOM 509 O THR A 37 6.677 12.262 3.217 1.00 0.00 O ATOM 510 CB THR A 37 6.745 15.021 1.733 1.00 0.00 C ATOM 511 OG1 THR A 37 7.418 16.128 1.121 1.00 0.00 O ATOM 512 CG2 THR A 37 5.372 15.462 2.219 1.00 0.00 C ATOM 0 H THR A 37 8.771 13.040 1.924 1.00 0.00 H new ATOM 0 HA THR A 37 7.830 15.286 3.579 1.00 0.00 H new ATOM 0 HB THR A 37 6.615 14.225 1.000 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.698 15.880 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.795 15.848 1.378 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.851 14.611 2.657 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.486 16.244 2.970 1.00 0.00 H new ATOM 520 N PRO A 38 6.185 13.812 4.776 1.00 0.00 N ATOM 521 CA PRO A 38 5.372 12.914 5.601 1.00 0.00 C ATOM 522 C PRO A 38 4.055 12.542 4.929 1.00 0.00 C ATOM 523 O PRO A 38 3.436 13.366 4.255 1.00 0.00 O ATOM 524 CB PRO A 38 5.112 13.734 6.868 1.00 0.00 C ATOM 525 CG PRO A 38 5.225 15.154 6.429 1.00 0.00 C ATOM 526 CD PRO A 38 6.262 15.170 5.341 1.00 0.00 C ATOM 0 HA PRO A 38 5.875 11.965 5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.125 13.524 7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.838 13.501 7.647 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.269 15.526 6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.520 15.797 7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.045 15.930 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.255 15.385 5.736 1.00 0.00 H new ATOM 534 N VAL A 39 3.631 11.296 5.117 1.00 0.00 N ATOM 535 CA VAL A 39 2.386 10.816 4.529 1.00 0.00 C ATOM 536 C VAL A 39 1.452 10.260 5.599 1.00 0.00 C ATOM 537 O VAL A 39 1.874 9.978 6.721 1.00 0.00 O ATOM 538 CB VAL A 39 2.648 9.725 3.474 1.00 0.00 C ATOM 539 CG1 VAL A 39 3.043 8.418 4.144 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.423 9.532 2.592 1.00 0.00 C ATOM 0 H VAL A 39 4.131 10.601 5.672 1.00 0.00 H new ATOM 0 HA VAL A 39 1.913 11.671 4.046 1.00 0.00 H new ATOM 0 HB VAL A 39 3.476 10.046 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.224 7.659 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.950 8.569 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.238 8.088 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.626 8.758 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.575 9.233 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.190 10.467 2.083 1.00 0.00 H new ATOM 550 N HIS A 40 0.181 10.104 5.244 1.00 0.00 N ATOM 551 CA HIS A 40 -0.814 9.580 6.173 1.00 0.00 C ATOM 552 C HIS A 40 -1.648 8.485 5.515 1.00 0.00 C ATOM 553 O HIS A 40 -2.649 8.766 4.856 1.00 0.00 O ATOM 554 CB HIS A 40 -1.725 10.705 6.666 1.00 0.00 C ATOM 555 CG HIS A 40 -2.231 10.499 8.060 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.695 11.528 8.852 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.347 9.373 8.802 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.072 11.044 10.022 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.871 9.738 10.017 1.00 0.00 N ATOM 0 H HIS A 40 -0.185 10.333 4.320 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.288 9.149 7.025 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.180 11.648 6.622 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.575 10.796 5.990 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.740 12.509 8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.077 8.373 8.495 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.476 11.618 10.843 1.00 0.00 H new ATOM 568 N TRP A 41 -1.229 7.239 5.699 1.00 0.00 N ATOM 569 CA TRP A 41 -1.938 6.102 5.123 1.00 0.00 C ATOM 570 C TRP A 41 -3.185 5.769 5.935 1.00 0.00 C ATOM 571 O TRP A 41 -3.092 5.280 7.062 1.00 0.00 O ATOM 572 CB TRP A 41 -1.018 4.882 5.055 1.00 0.00 C ATOM 573 CG TRP A 41 0.163 5.078 4.154 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.422 5.459 4.523 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.195 4.905 2.733 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.234 5.533 3.417 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.505 5.197 2.306 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.756 4.529 1.779 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.886 5.126 0.969 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.376 4.459 0.452 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.935 4.756 0.057 1.00 0.00 C ATOM 0 H TRP A 41 -0.402 6.990 6.242 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.247 6.372 4.113 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.665 4.646 6.059 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.592 4.022 4.708 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.733 5.671 5.535 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.220 5.795 3.422 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.769 4.298 2.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.896 5.355 0.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.102 4.170 -0.293 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.200 4.692 -0.988 1.00 0.00 H new ATOM 592 N LEU A 42 -4.351 6.036 5.356 1.00 0.00 N ATOM 593 CA LEU A 42 -5.618 5.764 6.027 1.00 0.00 C ATOM 594 C LEU A 42 -6.350 4.604 5.359 1.00 0.00 C ATOM 595 O LEU A 42 -6.555 4.602 4.145 1.00 0.00 O ATOM 596 CB LEU A 42 -6.501 7.013 6.017 1.00 0.00 C ATOM 597 CG LEU A 42 -5.877 8.280 6.603 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.427 9.516 5.908 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.128 8.354 8.102 1.00 0.00 C ATOM 0 H LEU A 42 -4.445 6.440 4.424 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.402 5.487 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.793 7.219 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.414 6.793 6.570 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.801 8.242 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.972 10.408 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.196 9.468 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.508 9.559 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.677 9.262 8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.201 8.368 8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.686 7.485 8.588 1.00 0.00 H new ATOM 611 N LYS A 43 -6.743 3.620 6.160 1.00 0.00 N ATOM 612 CA LYS A 43 -7.455 2.455 5.649 1.00 0.00 C ATOM 613 C LYS A 43 -8.862 2.378 6.234 1.00 0.00 C ATOM 614 O LYS A 43 -9.045 1.978 7.384 1.00 0.00 O ATOM 615 CB LYS A 43 -6.684 1.175 5.977 1.00 0.00 C ATOM 616 CG LYS A 43 -7.183 -0.046 5.223 1.00 0.00 C ATOM 617 CD LYS A 43 -8.271 -0.772 5.996 1.00 0.00 C ATOM 618 CE LYS A 43 -8.324 -2.248 5.632 1.00 0.00 C ATOM 619 NZ LYS A 43 -9.514 -2.922 6.221 1.00 0.00 N ATOM 0 H LYS A 43 -6.580 3.606 7.167 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.535 2.555 4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.629 1.327 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.753 0.984 7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.568 0.258 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.351 -0.726 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.091 -0.666 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.236 -0.310 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.346 -2.354 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.417 -2.741 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.514 -3.926 5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.480 -2.843 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.380 -2.468 5.868 1.00 0.00 H new ATOM 633 N ASP A 44 -9.852 2.760 5.435 1.00 0.00 N ATOM 634 CA ASP A 44 -11.242 2.732 5.873 1.00 0.00 C ATOM 635 C ASP A 44 -11.478 3.734 6.999 1.00 0.00 C ATOM 636 O ASP A 44 -12.117 3.416 8.002 1.00 0.00 O ATOM 637 CB ASP A 44 -11.625 1.325 6.337 1.00 0.00 C ATOM 638 CG ASP A 44 -13.118 1.077 6.262 1.00 0.00 C ATOM 639 OD1 ASP A 44 -13.835 1.486 7.200 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.570 0.475 5.266 1.00 0.00 O ATOM 0 H ASP A 44 -9.717 3.093 4.480 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.869 3.010 5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.106 0.589 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.287 1.179 7.363 1.00 0.00 H new ATOM 645 N ARG A 45 -10.958 4.944 6.826 1.00 0.00 N ATOM 646 CA ARG A 45 -11.109 5.992 7.828 1.00 0.00 C ATOM 647 C ARG A 45 -10.369 5.627 9.112 1.00 0.00 C ATOM 648 O ARG A 45 -10.873 5.840 10.215 1.00 0.00 O ATOM 649 CB ARG A 45 -12.591 6.227 8.131 1.00 0.00 C ATOM 650 CG ARG A 45 -13.422 6.537 6.897 1.00 0.00 C ATOM 651 CD ARG A 45 -13.454 8.029 6.607 1.00 0.00 C ATOM 652 NE ARG A 45 -14.241 8.762 7.595 1.00 0.00 N ATOM 653 CZ ARG A 45 -14.769 9.961 7.372 1.00 0.00 C ATOM 654 NH1 ARG A 45 -14.596 10.557 6.200 1.00 0.00 N ATOM 655 NH2 ARG A 45 -15.473 10.564 8.321 1.00 0.00 N ATOM 0 H ARG A 45 -10.428 5.223 6.001 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.676 6.909 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.998 5.342 8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.683 7.052 8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.011 6.007 6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.439 6.171 7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.436 8.418 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.872 8.196 5.614 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.394 8.330 8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.057 10.095 5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.002 11.477 6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.609 10.107 9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.878 11.484 8.149 1.00 0.00 H new ATOM 669 N LYS A 46 -9.169 5.077 8.960 1.00 0.00 N ATOM 670 CA LYS A 46 -8.357 4.683 10.106 1.00 0.00 C ATOM 671 C LYS A 46 -6.879 4.946 9.841 1.00 0.00 C ATOM 672 O LYS A 46 -6.340 4.537 8.813 1.00 0.00 O ATOM 673 CB LYS A 46 -8.574 3.202 10.425 1.00 0.00 C ATOM 674 CG LYS A 46 -9.910 2.910 11.084 1.00 0.00 C ATOM 675 CD LYS A 46 -9.912 3.320 12.547 1.00 0.00 C ATOM 676 CE LYS A 46 -9.166 2.313 13.409 1.00 0.00 C ATOM 677 NZ LYS A 46 -9.107 2.738 14.835 1.00 0.00 N ATOM 0 H LYS A 46 -8.737 4.894 8.054 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.666 5.282 10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.500 2.626 9.503 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.773 2.859 11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.701 3.441 10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.132 1.846 11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.451 4.302 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.940 3.411 12.899 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.656 1.342 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.153 2.187 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.591 2.025 15.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.616 3.652 14.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.073 2.834 15.209 1.00 0.00 H new ATOM 691 N ALA A 47 -6.227 5.630 10.776 1.00 0.00 N ATOM 692 CA ALA A 47 -4.810 5.945 10.645 1.00 0.00 C ATOM 693 C ALA A 47 -3.953 4.693 10.802 1.00 0.00 C ATOM 694 O ALA A 47 -3.883 4.110 11.885 1.00 0.00 O ATOM 695 CB ALA A 47 -4.406 6.996 11.668 1.00 0.00 C ATOM 0 H ALA A 47 -6.658 5.977 11.633 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.643 6.345 9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.345 7.221 11.559 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.988 7.903 11.507 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.595 6.617 12.673 1.00 0.00 H new ATOM 701 N ILE A 48 -3.305 4.285 9.717 1.00 0.00 N ATOM 702 CA ILE A 48 -2.452 3.103 9.736 1.00 0.00 C ATOM 703 C ILE A 48 -1.097 3.412 10.362 1.00 0.00 C ATOM 704 O ILE A 48 -0.695 4.572 10.456 1.00 0.00 O ATOM 705 CB ILE A 48 -2.234 2.543 8.318 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.571 2.418 7.585 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.531 1.195 8.383 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.426 2.242 6.089 1.00 0.00 C ATOM 0 H ILE A 48 -3.354 4.755 8.813 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.965 2.354 10.339 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.600 3.235 7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.121 1.569 7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.169 3.308 7.782 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.384 0.812 7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.563 1.312 8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.141 0.493 8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.414 2.160 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.904 3.103 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.856 1.336 5.883 1.00 0.00 H new ATOM 720 N ARG A 49 -0.395 2.367 10.788 1.00 0.00 N ATOM 721 CA ARG A 49 0.916 2.527 11.404 1.00 0.00 C ATOM 722 C ARG A 49 1.964 1.686 10.680 1.00 0.00 C ATOM 723 O ARG A 49 1.629 0.786 9.909 1.00 0.00 O ATOM 724 CB ARG A 49 0.861 2.131 12.881 1.00 0.00 C ATOM 725 CG ARG A 49 0.272 0.750 13.120 1.00 0.00 C ATOM 726 CD ARG A 49 1.348 -0.324 13.106 1.00 0.00 C ATOM 727 NE ARG A 49 1.563 -0.866 11.766 1.00 0.00 N ATOM 728 CZ ARG A 49 0.806 -1.814 11.226 1.00 0.00 C ATOM 729 NH1 ARG A 49 -0.212 -2.322 11.908 1.00 0.00 N ATOM 730 NH2 ARG A 49 1.065 -2.255 10.002 1.00 0.00 N ATOM 0 H ARG A 49 -0.713 1.400 10.718 1.00 0.00 H new ATOM 0 HA ARG A 49 1.200 3.576 11.326 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.869 2.163 13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.269 2.868 13.424 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.246 0.735 14.079 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.471 0.532 12.353 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.282 0.094 13.482 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.064 -1.130 13.782 1.00 0.00 H new ATOM 0 HE ARG A 49 2.337 -0.496 11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.415 -1.984 12.849 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.792 -3.050 11.491 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.846 -1.866 9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.483 -2.983 9.588 1.00 0.00 H new ATOM 744 N LYS A 50 3.233 1.985 10.933 1.00 0.00 N ATOM 745 CA LYS A 50 4.331 1.257 10.307 1.00 0.00 C ATOM 746 C LYS A 50 4.666 -0.005 11.095 1.00 0.00 C ATOM 747 O LYS A 50 4.895 0.048 12.303 1.00 0.00 O ATOM 748 CB LYS A 50 5.569 2.151 10.205 1.00 0.00 C ATOM 749 CG LYS A 50 6.753 1.475 9.534 1.00 0.00 C ATOM 750 CD LYS A 50 8.016 2.310 9.660 1.00 0.00 C ATOM 751 CE LYS A 50 9.258 1.434 9.729 1.00 0.00 C ATOM 752 NZ LYS A 50 9.831 1.175 8.380 1.00 0.00 N ATOM 0 H LYS A 50 3.527 2.727 11.568 1.00 0.00 H new ATOM 0 HA LYS A 50 4.017 0.965 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.312 3.052 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.862 2.468 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.917 0.496 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.529 1.309 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.093 2.986 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.956 2.930 10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.008 1.917 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.007 0.486 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.675 0.575 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.124 0.691 7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.094 2.078 7.935 1.00 0.00 H new ATOM 766 N SER A 51 4.694 -1.139 10.402 1.00 0.00 N ATOM 767 CA SER A 51 4.999 -2.416 11.038 1.00 0.00 C ATOM 768 C SER A 51 5.250 -3.497 9.992 1.00 0.00 C ATOM 769 O SER A 51 5.189 -3.239 8.790 1.00 0.00 O ATOM 770 CB SER A 51 3.852 -2.838 11.959 1.00 0.00 C ATOM 771 OG SER A 51 4.282 -3.812 12.894 1.00 0.00 O ATOM 0 H SER A 51 4.509 -1.200 9.401 1.00 0.00 H new ATOM 0 HA SER A 51 5.905 -2.291 11.631 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.467 -1.966 12.488 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.031 -3.238 11.363 1.00 0.00 H new ATOM 0 HG SER A 51 3.532 -4.064 13.472 1.00 0.00 H new ATOM 777 N GLN A 52 5.533 -4.709 10.459 1.00 0.00 N ATOM 778 CA GLN A 52 5.794 -5.830 9.564 1.00 0.00 C ATOM 779 C GLN A 52 4.761 -5.885 8.443 1.00 0.00 C ATOM 780 O GLN A 52 5.099 -6.123 7.284 1.00 0.00 O ATOM 781 CB GLN A 52 5.787 -7.146 10.344 1.00 0.00 C ATOM 782 CG GLN A 52 7.087 -7.422 11.083 1.00 0.00 C ATOM 783 CD GLN A 52 8.231 -7.755 10.146 1.00 0.00 C ATOM 784 OE1 GLN A 52 8.193 -7.429 8.960 1.00 0.00 O ATOM 785 NE2 GLN A 52 9.259 -8.409 10.676 1.00 0.00 N ATOM 0 H GLN A 52 5.587 -4.939 11.451 1.00 0.00 H new ATOM 0 HA GLN A 52 6.778 -5.684 9.119 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.967 -7.129 11.062 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.590 -7.967 9.654 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.353 -6.550 11.680 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.938 -8.250 11.777 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.249 -8.660 11.665 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.058 -8.660 10.094 1.00 0.00 H new ATOM 794 N LYS A 53 3.500 -5.662 8.797 1.00 0.00 N ATOM 795 CA LYS A 53 2.416 -5.685 7.822 1.00 0.00 C ATOM 796 C LYS A 53 2.531 -4.513 6.853 1.00 0.00 C ATOM 797 O LYS A 53 2.819 -4.699 5.670 1.00 0.00 O ATOM 798 CB LYS A 53 1.062 -5.641 8.533 1.00 0.00 C ATOM 799 CG LYS A 53 -0.121 -5.545 7.585 1.00 0.00 C ATOM 800 CD LYS A 53 -0.261 -6.800 6.739 1.00 0.00 C ATOM 801 CE LYS A 53 -1.133 -7.840 7.426 1.00 0.00 C ATOM 802 NZ LYS A 53 -0.336 -8.738 8.305 1.00 0.00 N ATOM 0 H LYS A 53 3.203 -5.463 9.752 1.00 0.00 H new ATOM 0 HA LYS A 53 2.491 -6.612 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.954 -6.536 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.044 -4.787 9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.035 -5.387 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.002 -4.679 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.693 -6.542 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.725 -7.221 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.899 -7.338 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.651 -8.434 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.797 -9.669 8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.621 -8.848 7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.275 -8.326 9.258 1.00 0.00 H new ATOM 816 N TYR A 54 2.307 -3.306 7.362 1.00 0.00 N ATOM 817 CA TYR A 54 2.385 -2.104 6.540 1.00 0.00 C ATOM 818 C TYR A 54 3.761 -1.455 6.654 1.00 0.00 C ATOM 819 O TYR A 54 4.119 -0.912 7.700 1.00 0.00 O ATOM 820 CB TYR A 54 1.303 -1.107 6.955 1.00 0.00 C ATOM 821 CG TYR A 54 -0.098 -1.675 6.899 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.551 -2.347 5.771 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.967 -1.539 7.975 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.830 -2.867 5.716 1.00 0.00 C ATOM 825 CE2 TYR A 54 -2.247 -2.057 7.929 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.674 -2.720 6.797 1.00 0.00 C ATOM 827 OH TYR A 54 -3.948 -3.237 6.746 1.00 0.00 O ATOM 0 H TYR A 54 2.070 -3.134 8.339 1.00 0.00 H new ATOM 0 HA TYR A 54 2.224 -2.393 5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.507 -0.764 7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.358 -0.233 6.306 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.107 -2.465 4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.636 -1.020 8.862 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.167 -3.386 4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.910 -1.944 8.774 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.412 -3.048 7.589 1.00 0.00 H new ATOM 837 N ASP A 55 4.528 -1.515 5.571 1.00 0.00 N ATOM 838 CA ASP A 55 5.864 -0.932 5.547 1.00 0.00 C ATOM 839 C ASP A 55 5.881 0.355 4.727 1.00 0.00 C ATOM 840 O ASP A 55 5.715 0.328 3.507 1.00 0.00 O ATOM 841 CB ASP A 55 6.869 -1.931 4.972 1.00 0.00 C ATOM 842 CG ASP A 55 6.783 -3.289 5.640 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.825 -3.341 6.887 1.00 0.00 O ATOM 844 OD2 ASP A 55 6.672 -4.300 4.916 1.00 0.00 O ATOM 0 H ASP A 55 4.247 -1.962 4.698 1.00 0.00 H new ATOM 0 HA ASP A 55 6.147 -0.692 6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.693 -2.044 3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.878 -1.535 5.089 1.00 0.00 H new ATOM 849 N VAL A 56 6.082 1.480 5.405 1.00 0.00 N ATOM 850 CA VAL A 56 6.121 2.777 4.740 1.00 0.00 C ATOM 851 C VAL A 56 7.494 3.043 4.134 1.00 0.00 C ATOM 852 O VAL A 56 8.498 3.102 4.845 1.00 0.00 O ATOM 853 CB VAL A 56 5.772 3.918 5.714 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.674 5.242 4.972 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.476 3.612 6.450 1.00 0.00 C ATOM 0 H VAL A 56 6.220 1.520 6.415 1.00 0.00 H new ATOM 0 HA VAL A 56 5.376 2.747 3.945 1.00 0.00 H new ATOM 0 HB VAL A 56 6.571 4.001 6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.427 6.036 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.629 5.464 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.896 5.176 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.244 4.429 7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.666 3.501 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.588 2.686 7.015 1.00 0.00 H new ATOM 865 N VAL A 57 7.532 3.204 2.815 1.00 0.00 N ATOM 866 CA VAL A 57 8.782 3.465 2.112 1.00 0.00 C ATOM 867 C VAL A 57 8.708 4.769 1.325 1.00 0.00 C ATOM 868 O VAL A 57 8.463 4.764 0.118 1.00 0.00 O ATOM 869 CB VAL A 57 9.136 2.316 1.149 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.440 2.610 0.423 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.222 0.998 1.903 1.00 0.00 C ATOM 0 H VAL A 57 6.711 3.158 2.212 1.00 0.00 H new ATOM 0 HA VAL A 57 9.561 3.545 2.871 1.00 0.00 H new ATOM 0 HB VAL A 57 8.345 2.232 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.674 1.787 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.338 3.532 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.244 2.722 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.473 0.197 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.993 1.067 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.262 0.784 2.372 1.00 0.00 H new ATOM 881 N CYS A 58 8.920 5.883 2.015 1.00 0.00 N ATOM 882 CA CYS A 58 8.877 7.196 1.381 1.00 0.00 C ATOM 883 C CYS A 58 10.284 7.703 1.084 1.00 0.00 C ATOM 884 O CYS A 58 10.894 8.386 1.907 1.00 0.00 O ATOM 885 CB CYS A 58 8.140 8.194 2.275 1.00 0.00 C ATOM 886 SG CYS A 58 8.156 9.893 1.656 1.00 0.00 S ATOM 0 H CYS A 58 9.124 5.904 3.014 1.00 0.00 H new ATOM 0 HA CYS A 58 8.339 7.099 0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.106 7.870 2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.589 8.176 3.268 1.00 0.00 H new ATOM 0 HG CYS A 58 7.486 10.657 2.467 1.00 0.00 H new ATOM 892 N GLU A 59 10.795 7.363 -0.095 1.00 0.00 N ATOM 893 CA GLU A 59 12.132 7.783 -0.498 1.00 0.00 C ATOM 894 C GLU A 59 12.122 8.339 -1.919 1.00 0.00 C ATOM 895 O GLU A 59 11.222 8.048 -2.705 1.00 0.00 O ATOM 896 CB GLU A 59 13.108 6.608 -0.405 1.00 0.00 C ATOM 897 CG GLU A 59 13.538 6.285 1.016 1.00 0.00 C ATOM 898 CD GLU A 59 12.365 6.186 1.972 1.00 0.00 C ATOM 899 OE1 GLU A 59 11.391 5.477 1.644 1.00 0.00 O ATOM 900 OE2 GLU A 59 12.420 6.818 3.048 1.00 0.00 O ATOM 0 H GLU A 59 10.304 6.798 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 59 12.458 8.572 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.644 5.725 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.992 6.833 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.086 5.343 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.225 7.055 1.368 1.00 0.00 H new ATOM 907 N GLY A 60 13.132 9.143 -2.240 1.00 0.00 N ATOM 908 CA GLY A 60 13.221 9.728 -3.565 1.00 0.00 C ATOM 909 C GLY A 60 11.859 10.016 -4.164 1.00 0.00 C ATOM 910 O GLY A 60 11.459 9.391 -5.148 1.00 0.00 O ATOM 0 H GLY A 60 13.889 9.399 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.794 10.653 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.768 9.051 -4.222 1.00 0.00 H new ATOM 914 N THR A 61 11.141 10.964 -3.571 1.00 0.00 N ATOM 915 CA THR A 61 9.814 11.332 -4.050 1.00 0.00 C ATOM 916 C THR A 61 9.018 10.099 -4.462 1.00 0.00 C ATOM 917 O THR A 61 8.393 10.078 -5.522 1.00 0.00 O ATOM 918 CB THR A 61 9.897 12.299 -5.246 1.00 0.00 C ATOM 919 OG1 THR A 61 11.065 12.016 -6.025 1.00 0.00 O ATOM 920 CG2 THR A 61 9.935 13.744 -4.772 1.00 0.00 C ATOM 0 H THR A 61 11.456 11.492 -2.757 1.00 0.00 H new ATOM 0 HA THR A 61 9.306 11.830 -3.224 1.00 0.00 H new ATOM 0 HB THR A 61 9.008 12.158 -5.861 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.054 11.076 -6.302 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.994 14.408 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.031 13.965 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.808 13.896 -4.137 1.00 0.00 H new ATOM 928 N MET A 62 9.043 9.074 -3.617 1.00 0.00 N ATOM 929 CA MET A 62 8.321 7.838 -3.893 1.00 0.00 C ATOM 930 C MET A 62 7.808 7.207 -2.603 1.00 0.00 C ATOM 931 O MET A 62 8.584 6.676 -1.809 1.00 0.00 O ATOM 932 CB MET A 62 9.224 6.849 -4.633 1.00 0.00 C ATOM 933 CG MET A 62 8.567 5.503 -4.893 1.00 0.00 C ATOM 934 SD MET A 62 9.767 4.174 -5.106 1.00 0.00 S ATOM 935 CE MET A 62 10.239 3.869 -3.405 1.00 0.00 C ATOM 0 H MET A 62 9.556 9.075 -2.735 1.00 0.00 H new ATOM 0 HA MET A 62 7.465 8.081 -4.523 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.525 7.287 -5.585 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.133 6.694 -4.051 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.905 5.260 -4.062 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.946 5.573 -5.786 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.824 2.951 -3.349 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.837 4.703 -3.038 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.344 3.767 -2.792 1.00 0.00 H new ATOM 945 N ALA A 63 6.496 7.271 -2.399 1.00 0.00 N ATOM 946 CA ALA A 63 5.879 6.705 -1.206 1.00 0.00 C ATOM 947 C ALA A 63 5.225 5.362 -1.510 1.00 0.00 C ATOM 948 O ALA A 63 4.177 5.303 -2.153 1.00 0.00 O ATOM 949 CB ALA A 63 4.857 7.674 -0.630 1.00 0.00 C ATOM 0 H ALA A 63 5.840 7.710 -3.045 1.00 0.00 H new ATOM 0 HA ALA A 63 6.662 6.538 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.404 7.238 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.351 8.609 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.083 7.870 -1.372 1.00 0.00 H new ATOM 955 N MET A 64 5.850 4.285 -1.045 1.00 0.00 N ATOM 956 CA MET A 64 5.327 2.943 -1.268 1.00 0.00 C ATOM 957 C MET A 64 4.856 2.318 0.041 1.00 0.00 C ATOM 958 O MET A 64 5.508 2.458 1.077 1.00 0.00 O ATOM 959 CB MET A 64 6.394 2.057 -1.915 1.00 0.00 C ATOM 960 CG MET A 64 5.844 0.759 -2.483 1.00 0.00 C ATOM 961 SD MET A 64 7.111 -0.237 -3.291 1.00 0.00 S ATOM 962 CE MET A 64 8.333 -0.354 -1.987 1.00 0.00 C ATOM 0 H MET A 64 6.719 4.316 -0.512 1.00 0.00 H new ATOM 0 HA MET A 64 4.473 3.021 -1.941 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.883 2.615 -2.714 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.159 1.824 -1.174 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.389 0.179 -1.680 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.054 0.986 -3.199 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.002 -1.191 -2.189 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.910 0.570 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.832 -0.513 -1.032 1.00 0.00 H new ATOM 972 N LEU A 65 3.722 1.630 -0.011 1.00 0.00 N ATOM 973 CA LEU A 65 3.163 0.983 1.172 1.00 0.00 C ATOM 974 C LEU A 65 3.028 -0.521 0.958 1.00 0.00 C ATOM 975 O LEU A 65 2.082 -0.985 0.322 1.00 0.00 O ATOM 976 CB LEU A 65 1.799 1.587 1.511 1.00 0.00 C ATOM 977 CG LEU A 65 1.068 0.966 2.702 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.735 1.370 4.007 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.398 1.375 2.700 1.00 0.00 C ATOM 0 H LEU A 65 3.170 1.505 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 65 3.845 1.152 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.934 2.651 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.158 1.503 0.633 1.00 0.00 H new ATOM 0 HG LEU A 65 1.122 -0.119 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.201 0.919 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.769 1.026 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.713 2.455 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.903 0.924 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.473 2.460 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.870 1.034 1.778 1.00 0.00 H new ATOM 991 N VAL A 66 3.980 -1.278 1.496 1.00 0.00 N ATOM 992 CA VAL A 66 3.965 -2.730 1.367 1.00 0.00 C ATOM 993 C VAL A 66 2.949 -3.356 2.315 1.00 0.00 C ATOM 994 O VAL A 66 2.778 -2.900 3.446 1.00 0.00 O ATOM 995 CB VAL A 66 5.354 -3.332 1.650 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.385 -4.805 1.271 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.432 -2.559 0.904 1.00 0.00 C ATOM 0 H VAL A 66 4.771 -0.909 2.025 1.00 0.00 H new ATOM 0 HA VAL A 66 3.683 -2.954 0.338 1.00 0.00 H new ATOM 0 HB VAL A 66 5.554 -3.252 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.374 -5.213 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.640 -5.346 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.163 -4.912 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.407 -2.998 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.238 -2.606 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.424 -1.519 1.229 1.00 0.00 H new ATOM 1007 N ILE A 67 2.277 -4.402 1.847 1.00 0.00 N ATOM 1008 CA ILE A 67 1.279 -5.092 2.655 1.00 0.00 C ATOM 1009 C ILE A 67 1.561 -6.589 2.717 1.00 0.00 C ATOM 1010 O ILE A 67 1.092 -7.355 1.875 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.142 -4.871 2.104 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.474 -3.377 2.072 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.160 -5.628 2.944 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.574 -3.023 1.097 1.00 0.00 C ATOM 0 H ILE A 67 2.405 -4.790 0.913 1.00 0.00 H new ATOM 0 HA ILE A 67 1.340 -4.671 3.659 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.184 -5.255 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.769 -3.057 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.425 -2.819 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.159 -5.462 2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.932 -6.694 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.119 -5.272 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.756 -1.949 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.274 -3.311 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.486 -3.553 1.370 1.00 0.00 H new ATOM 1026 N ARG A 68 2.329 -7.000 3.721 1.00 0.00 N ATOM 1027 CA ARG A 68 2.673 -8.406 3.894 1.00 0.00 C ATOM 1028 C ARG A 68 1.415 -9.263 4.009 1.00 0.00 C ATOM 1029 O ARG A 68 0.519 -8.966 4.798 1.00 0.00 O ATOM 1030 CB ARG A 68 3.544 -8.591 5.137 1.00 0.00 C ATOM 1031 CG ARG A 68 5.032 -8.438 4.866 1.00 0.00 C ATOM 1032 CD ARG A 68 5.575 -9.606 4.058 1.00 0.00 C ATOM 1033 NE ARG A 68 5.670 -10.826 4.856 1.00 0.00 N ATOM 1034 CZ ARG A 68 6.689 -11.097 5.664 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.693 -10.240 5.781 1.00 0.00 N ATOM 1036 NH2 ARG A 68 6.704 -12.228 6.357 1.00 0.00 N ATOM 0 H ARG A 68 2.725 -6.379 4.427 1.00 0.00 H new ATOM 0 HA ARG A 68 3.233 -8.728 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.244 -7.864 5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.359 -9.580 5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.211 -7.507 4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.570 -8.367 5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.928 -9.784 3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.560 -9.350 3.668 1.00 0.00 H new ATOM 0 HE ARG A 68 4.913 -11.506 4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.685 -9.369 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.474 -10.451 6.402 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.933 -12.890 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.487 -12.436 6.977 1.00 0.00 H new ATOM 1050 N GLY A 69 1.357 -10.329 3.215 1.00 0.00 N ATOM 1051 CA GLY A 69 0.205 -11.212 3.243 1.00 0.00 C ATOM 1052 C GLY A 69 -1.104 -10.462 3.099 1.00 0.00 C ATOM 1053 O GLY A 69 -1.842 -10.295 4.069 1.00 0.00 O ATOM 0 H GLY A 69 2.086 -10.596 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.292 -11.943 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.200 -11.768 4.180 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.393 -10.008 1.883 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.622 -9.272 1.615 1.00 0.00 C ATOM 1059 C ALA A 70 -3.798 -10.222 1.412 1.00 0.00 C ATOM 1060 O ALA A 70 -3.968 -10.792 0.334 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.447 -8.378 0.396 1.00 0.00 C ATOM 0 H ALA A 70 -0.793 -10.137 1.069 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.838 -8.648 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.373 -7.834 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.640 -7.668 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.203 -8.990 -0.472 1.00 0.00 H new ATOM 1067 N SER A 71 -4.605 -10.389 2.455 1.00 0.00 N ATOM 1068 CA SER A 71 -5.762 -11.274 2.392 1.00 0.00 C ATOM 1069 C SER A 71 -7.005 -10.513 1.941 1.00 0.00 C ATOM 1070 O SER A 71 -7.013 -9.282 1.904 1.00 0.00 O ATOM 1071 CB SER A 71 -6.012 -11.919 3.756 1.00 0.00 C ATOM 1072 OG SER A 71 -4.975 -12.824 4.091 1.00 0.00 O ATOM 0 H SER A 71 -4.479 -9.923 3.354 1.00 0.00 H new ATOM 0 HA SER A 71 -5.551 -12.055 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.084 -11.145 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.967 -12.444 3.744 1.00 0.00 H new ATOM 0 HG SER A 71 -5.158 -13.221 4.968 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.053 -11.254 1.598 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.302 -10.650 1.149 1.00 0.00 C ATOM 1080 C LEU A 72 -9.658 -9.436 2.002 1.00 0.00 C ATOM 1081 O LEU A 72 -10.228 -8.462 1.509 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.436 -11.676 1.203 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.193 -12.985 0.451 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.189 -14.046 0.891 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.279 -12.760 -1.052 1.00 0.00 C ATOM 0 H LEU A 72 -8.062 -12.274 1.622 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.167 -10.320 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.636 -11.912 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.338 -11.212 0.803 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.189 -13.338 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.001 -14.970 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.079 -14.227 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.202 -13.702 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.104 -13.702 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.270 -12.384 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.526 -12.033 -1.355 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.317 -9.501 3.284 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.597 -8.407 4.207 1.00 0.00 C ATOM 1099 C LYS A 73 -8.780 -7.170 3.847 1.00 0.00 C ATOM 1100 O LYS A 73 -9.328 -6.081 3.675 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.291 -8.833 5.644 1.00 0.00 C ATOM 1102 CG LYS A 73 -9.993 -7.987 6.692 1.00 0.00 C ATOM 1103 CD LYS A 73 -9.683 -8.472 8.099 1.00 0.00 C ATOM 1104 CE LYS A 73 -8.257 -8.133 8.504 1.00 0.00 C ATOM 1105 NZ LYS A 73 -7.701 -9.128 9.462 1.00 0.00 N ATOM 0 H LYS A 73 -8.846 -10.300 3.708 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.655 -8.159 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.583 -9.875 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.215 -8.781 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.684 -6.947 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.070 -8.018 6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.380 -8.018 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.831 -9.550 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.627 -8.093 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.234 -7.141 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.728 -8.861 9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.287 -9.148 10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.699 -10.070 9.022 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.468 -7.345 3.734 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.576 -6.243 3.392 1.00 0.00 C ATOM 1121 C ASP A 74 -7.256 -5.271 2.433 1.00 0.00 C ATOM 1122 O ASP A 74 -7.206 -4.057 2.626 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.287 -6.778 2.766 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.088 -5.904 3.075 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -3.491 -6.076 4.159 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.745 -5.048 2.233 1.00 0.00 O ATOM 0 H ASP A 74 -6.998 -8.240 3.874 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.331 -5.708 4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.101 -7.788 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.413 -6.848 1.686 1.00 0.00 H new ATOM 1131 N ALA A 75 -7.891 -5.814 1.399 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.581 -4.994 0.411 1.00 0.00 C ATOM 1133 C ALA A 75 -9.444 -3.932 1.085 1.00 0.00 C ATOM 1134 O ALA A 75 -10.378 -4.251 1.819 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.432 -5.869 -0.498 1.00 0.00 C ATOM 0 H ALA A 75 -7.942 -6.818 1.224 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.829 -4.485 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.942 -5.244 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.794 -6.587 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.171 -6.404 0.099 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.124 -2.667 0.829 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.879 -1.578 1.420 1.00 0.00 C ATOM 1143 C GLY A 76 -9.611 -0.250 0.738 1.00 0.00 C ATOM 1144 O GLY A 76 -8.856 -0.185 -0.232 1.00 0.00 O ATOM 0 H GLY A 76 -8.356 -2.377 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.944 -1.805 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.627 -1.497 2.477 1.00 0.00 H new ATOM 1148 N GLU A 77 -10.231 0.810 1.246 1.00 0.00 N ATOM 1149 CA GLU A 77 -10.056 2.141 0.678 1.00 0.00 C ATOM 1150 C GLU A 77 -8.865 2.852 1.313 1.00 0.00 C ATOM 1151 O GLU A 77 -8.971 3.408 2.407 1.00 0.00 O ATOM 1152 CB GLU A 77 -11.325 2.974 0.873 1.00 0.00 C ATOM 1153 CG GLU A 77 -11.536 4.024 -0.205 1.00 0.00 C ATOM 1154 CD GLU A 77 -12.670 4.976 0.122 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.816 5.338 1.309 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -13.410 5.360 -0.807 1.00 0.00 O ATOM 0 H GLU A 77 -10.859 0.773 2.049 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.863 2.030 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.187 2.308 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.280 3.467 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.616 4.593 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.744 3.529 -1.153 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.732 2.830 0.621 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.519 3.470 1.118 1.00 0.00 C ATOM 1165 C TYR A 78 -6.462 4.934 0.693 1.00 0.00 C ATOM 1166 O TYR A 78 -6.376 5.246 -0.496 1.00 0.00 O ATOM 1167 CB TYR A 78 -5.282 2.730 0.607 1.00 0.00 C ATOM 1168 CG TYR A 78 -5.041 1.405 1.295 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.881 0.321 1.071 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.973 1.237 2.168 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.665 -0.891 1.699 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.749 0.029 2.798 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.598 -1.032 2.561 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.379 -2.238 3.186 1.00 0.00 O ATOM 0 H TYR A 78 -7.627 2.376 -0.286 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.536 3.428 2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.388 2.559 -0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.407 3.365 0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.716 0.427 0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.307 2.066 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.328 -1.723 1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.913 -0.085 3.473 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.218 -2.931 2.512 1.00 0.00 H new ATOM 1184 N THR A 79 -6.510 5.830 1.673 1.00 0.00 N ATOM 1185 CA THR A 79 -6.465 7.261 1.403 1.00 0.00 C ATOM 1186 C THR A 79 -5.112 7.851 1.788 1.00 0.00 C ATOM 1187 O THR A 79 -4.827 8.055 2.968 1.00 0.00 O ATOM 1188 CB THR A 79 -7.574 8.012 2.164 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.860 7.546 1.741 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.471 9.512 1.929 1.00 0.00 C ATOM 0 H THR A 79 -6.580 5.590 2.662 1.00 0.00 H new ATOM 0 HA THR A 79 -6.622 7.385 0.331 1.00 0.00 H new ATOM 0 HB THR A 79 -7.449 7.817 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.110 7.990 0.904 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.264 10.021 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.502 9.869 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.573 9.721 0.864 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.284 8.123 0.785 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.961 8.689 1.019 1.00 0.00 C ATOM 1200 C CYS A 80 -3.044 10.197 1.234 1.00 0.00 C ATOM 1201 O CYS A 80 -2.957 10.974 0.283 1.00 0.00 O ATOM 1202 CB CYS A 80 -2.035 8.380 -0.158 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.293 8.216 0.295 1.00 0.00 S ATOM 0 H CYS A 80 -4.506 7.961 -0.197 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.554 8.234 1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.364 7.455 -0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.133 9.172 -0.901 1.00 0.00 H new ATOM 0 HG CYS A 80 0.051 6.963 0.251 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.216 10.603 2.488 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.315 12.018 2.825 1.00 0.00 C ATOM 1211 C GLU A 81 -1.930 12.624 3.036 1.00 0.00 C ATOM 1212 O GLU A 81 -1.246 12.313 4.011 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.164 12.207 4.084 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.944 13.511 4.102 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.166 14.038 5.506 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -4.278 14.751 6.019 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -6.227 13.738 6.092 1.00 0.00 O ATOM 0 H GLU A 81 -3.290 9.973 3.287 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.795 12.532 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.862 11.374 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.515 12.170 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.408 14.259 3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.909 13.360 3.618 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.524 13.491 2.115 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.222 14.143 2.199 1.00 0.00 C ATOM 1226 C VAL A 82 -0.317 15.466 2.950 1.00 0.00 C ATOM 1227 O VAL A 82 -1.392 15.859 3.400 1.00 0.00 O ATOM 1228 CB VAL A 82 0.368 14.400 0.800 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.225 15.663 0.194 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.885 14.495 0.871 1.00 0.00 C ATOM 0 H VAL A 82 -2.078 13.759 1.301 1.00 0.00 H new ATOM 0 HA VAL A 82 0.436 13.466 2.744 1.00 0.00 H new ATOM 0 HB VAL A 82 0.109 13.560 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.204 15.828 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.306 15.552 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.001 16.515 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.285 14.677 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.168 15.315 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.290 13.561 1.260 1.00 0.00 H new ATOM 1240 N GLU A 83 0.817 16.148 3.081 1.00 0.00 N ATOM 1241 CA GLU A 83 0.860 17.428 3.779 1.00 0.00 C ATOM 1242 C GLU A 83 -0.478 18.152 3.671 1.00 0.00 C ATOM 1243 O GLU A 83 -1.186 18.321 4.663 1.00 0.00 O ATOM 1244 CB GLU A 83 1.976 18.307 3.209 1.00 0.00 C ATOM 1245 CG GLU A 83 2.338 17.974 1.771 1.00 0.00 C ATOM 1246 CD GLU A 83 2.896 19.167 1.019 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.876 19.769 1.506 1.00 0.00 O ATOM 1248 OE2 GLU A 83 2.353 19.499 -0.055 1.00 0.00 O ATOM 0 H GLU A 83 1.716 15.836 2.714 1.00 0.00 H new ATOM 0 HA GLU A 83 1.063 17.232 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.669 19.351 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.864 18.202 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.072 17.168 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.453 17.605 1.254 1.00 0.00 H new ATOM 1255 N ALA A 84 -0.818 18.579 2.459 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.071 19.284 2.221 1.00 0.00 C ATOM 1257 C ALA A 84 -3.003 18.462 1.337 1.00 0.00 C ATOM 1258 O ALA A 84 -4.204 18.379 1.594 1.00 0.00 O ATOM 1259 CB ALA A 84 -1.801 20.641 1.588 1.00 0.00 C ATOM 0 H ALA A 84 -0.243 18.449 1.627 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.563 19.435 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.746 21.157 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.179 21.237 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.285 20.503 0.638 1.00 0.00 H new ATOM 1265 N SER A 85 -2.442 17.858 0.294 1.00 0.00 N ATOM 1266 CA SER A 85 -3.225 17.046 -0.631 1.00 0.00 C ATOM 1267 C SER A 85 -3.582 15.701 -0.005 1.00 0.00 C ATOM 1268 O SER A 85 -3.184 15.401 1.121 1.00 0.00 O ATOM 1269 CB SER A 85 -2.450 16.826 -1.931 1.00 0.00 C ATOM 1270 OG SER A 85 -2.734 17.846 -2.873 1.00 0.00 O ATOM 0 H SER A 85 -1.449 17.915 0.068 1.00 0.00 H new ATOM 0 HA SER A 85 -4.149 17.581 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.380 16.808 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.709 15.855 -2.353 1.00 0.00 H new ATOM 0 HG SER A 85 -2.499 17.535 -3.772 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.337 14.894 -0.743 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.749 13.580 -0.264 1.00 0.00 C ATOM 1278 C LYS A 86 -5.394 12.770 -1.384 1.00 0.00 C ATOM 1279 O LYS A 86 -6.313 13.242 -2.053 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.726 13.724 0.905 1.00 0.00 C ATOM 1281 CG LYS A 86 -7.161 13.971 0.471 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.922 12.669 0.293 1.00 0.00 C ATOM 1283 CE LYS A 86 -9.405 12.845 0.583 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.678 12.936 2.044 1.00 0.00 N ATOM 0 H LYS A 86 -4.676 15.127 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.860 13.050 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.689 12.819 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.400 14.548 1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.665 14.589 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.168 14.528 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.790 12.306 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.508 11.911 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.767 13.747 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.959 12.006 0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.705 12.919 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.237 12.130 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.283 13.823 2.416 1.00 0.00 H new ATOM 1298 N SER A 87 -4.908 11.549 -1.580 1.00 0.00 N ATOM 1299 CA SER A 87 -5.436 10.674 -2.621 1.00 0.00 C ATOM 1300 C SER A 87 -6.232 9.524 -2.011 1.00 0.00 C ATOM 1301 O SER A 87 -6.093 9.215 -0.827 1.00 0.00 O ATOM 1302 CB SER A 87 -4.297 10.123 -3.480 1.00 0.00 C ATOM 1303 OG SER A 87 -4.799 9.371 -4.571 1.00 0.00 O ATOM 0 H SER A 87 -4.150 11.143 -1.032 1.00 0.00 H new ATOM 0 HA SER A 87 -6.104 11.261 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.687 10.946 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.648 9.495 -2.870 1.00 0.00 H new ATOM 0 HG SER A 87 -5.487 9.890 -5.037 1.00 0.00 H new ATOM 1309 N THR A 88 -7.068 8.892 -2.829 1.00 0.00 N ATOM 1310 CA THR A 88 -7.887 7.777 -2.372 1.00 0.00 C ATOM 1311 C THR A 88 -7.929 6.663 -3.412 1.00 0.00 C ATOM 1312 O THR A 88 -8.123 6.917 -4.600 1.00 0.00 O ATOM 1313 CB THR A 88 -9.327 8.228 -2.062 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.315 9.243 -1.052 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.174 7.053 -1.596 1.00 0.00 C ATOM 0 H THR A 88 -7.195 9.134 -3.812 1.00 0.00 H new ATOM 0 HA THR A 88 -7.427 7.401 -1.458 1.00 0.00 H new ATOM 0 HB THR A 88 -9.763 8.630 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.234 9.526 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.186 7.396 -1.383 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.205 6.294 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.738 6.626 -0.693 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.746 5.428 -2.957 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.766 4.274 -3.848 1.00 0.00 C ATOM 1325 C ALA A 89 -8.455 3.084 -3.190 1.00 0.00 C ATOM 1326 O ALA A 89 -8.960 3.187 -2.072 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.350 3.904 -4.263 1.00 0.00 C ATOM 0 H ALA A 89 -7.582 5.201 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.335 4.543 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.380 3.041 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.891 4.746 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.763 3.660 -3.377 1.00 0.00 H new ATOM 1333 N SER A 90 -8.473 1.955 -3.891 1.00 0.00 N ATOM 1334 CA SER A 90 -9.104 0.745 -3.376 1.00 0.00 C ATOM 1335 C SER A 90 -8.297 -0.493 -3.755 1.00 0.00 C ATOM 1336 O SER A 90 -7.949 -0.689 -4.921 1.00 0.00 O ATOM 1337 CB SER A 90 -10.531 0.621 -3.913 1.00 0.00 C ATOM 1338 OG SER A 90 -11.017 -0.702 -3.770 1.00 0.00 O ATOM 0 H SER A 90 -8.058 1.853 -4.817 1.00 0.00 H new ATOM 0 HA SER A 90 -9.137 0.817 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.185 1.311 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.553 0.908 -4.964 1.00 0.00 H new ATOM 0 HG SER A 90 -10.979 -1.160 -4.636 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.002 -1.326 -2.763 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.236 -2.546 -2.991 1.00 0.00 C ATOM 1346 C LEU A 91 -8.162 -3.737 -3.214 1.00 0.00 C ATOM 1347 O LEU A 91 -9.176 -3.884 -2.531 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.310 -2.819 -1.804 1.00 0.00 C ATOM 1349 CG LEU A 91 -5.778 -4.248 -1.683 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -4.824 -4.560 -2.826 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.089 -4.448 -0.341 1.00 0.00 C ATOM 0 H LEU A 91 -8.282 -1.179 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.634 -2.406 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.460 -2.140 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.845 -2.573 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.621 -4.936 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.455 -5.581 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.348 -4.457 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.984 -3.866 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.717 -5.470 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.255 -3.751 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.801 -4.266 0.464 1.00 0.00 H new ATOM 1363 N HIS A 92 -7.805 -4.587 -4.172 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.603 -5.768 -4.482 1.00 0.00 C ATOM 1365 C HIS A 92 -7.799 -7.043 -4.249 1.00 0.00 C ATOM 1366 O HIS A 92 -6.589 -7.076 -4.473 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.088 -5.714 -5.931 1.00 0.00 C ATOM 1368 CG HIS A 92 -9.689 -4.397 -6.314 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -9.210 -3.397 -7.090 1.00 0.00 N flip ATOM 1370 CD2 HIS A 92 -10.933 -3.985 -5.884 1.00 0.00 C flip ATOM 1371 CE1 HIS A 92 -10.164 -2.409 -7.115 1.00 0.00 C flip ATOM 1372 NE2 HIS A 92 -11.194 -2.788 -6.380 1.00 0.00 N flip ATOM 0 H HIS A 92 -6.969 -4.480 -4.746 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.467 -5.778 -3.817 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.250 -5.928 -6.594 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.827 -6.500 -6.088 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -8.309 -3.380 -7.567 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.591 -4.552 -5.242 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.085 -1.474 -7.649 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.480 -8.091 -3.797 1.00 0.00 N ATOM 1382 CA VAL A 93 -7.829 -9.369 -3.533 1.00 0.00 C ATOM 1383 C VAL A 93 -8.826 -10.520 -3.613 1.00 0.00 C ATOM 1384 O VAL A 93 -9.901 -10.465 -3.016 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.157 -9.382 -2.147 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.996 -8.611 -1.140 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.928 -10.811 -1.679 1.00 0.00 C ATOM 0 H VAL A 93 -9.482 -8.080 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.065 -9.499 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.187 -8.891 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.506 -8.631 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.104 -7.578 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.981 -9.071 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.452 -10.801 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.884 -11.330 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.283 -11.328 -2.390 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.461 -11.562 -4.354 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.324 -12.726 -4.512 1.00 0.00 C ATOM 1399 C GLU A 94 -8.499 -14.006 -4.610 1.00 0.00 C ATOM 1400 O GLU A 94 -7.441 -14.027 -5.237 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.200 -12.574 -5.757 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.420 -11.695 -5.540 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.369 -11.711 -6.722 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -11.915 -11.438 -7.852 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.567 -11.998 -6.516 1.00 0.00 O ATOM 0 H GLU A 94 -7.574 -11.623 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.964 -12.794 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.600 -12.155 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.527 -13.561 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.950 -12.030 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.097 -10.671 -5.353 1.00 0.00 H new ATOM 1412 N GLU A 95 -8.992 -15.071 -3.984 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.300 -16.354 -4.000 1.00 0.00 C ATOM 1414 C GLU A 95 -8.441 -17.032 -5.360 1.00 0.00 C ATOM 1415 O GLU A 95 -9.375 -16.753 -6.112 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.849 -17.268 -2.903 1.00 0.00 C ATOM 1417 CG GLU A 95 -7.953 -18.457 -2.597 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.260 -19.658 -3.471 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.456 -19.964 -3.660 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -7.304 -20.292 -3.966 1.00 0.00 O ATOM 0 H GLU A 95 -9.867 -15.070 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.242 -16.169 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.989 -16.685 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.832 -17.632 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.911 -18.168 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.069 -18.735 -1.550 1.00 0.00 H new ATOM 1427 N LYS A 96 -7.507 -17.924 -5.670 1.00 0.00 N ATOM 1428 CA LYS A 96 -7.525 -18.643 -6.938 1.00 0.00 C ATOM 1429 C LYS A 96 -8.518 -19.801 -6.892 1.00 0.00 C ATOM 1430 O LYS A 96 -8.133 -20.953 -6.698 1.00 0.00 O ATOM 1431 CB LYS A 96 -6.127 -19.169 -7.270 1.00 0.00 C ATOM 1432 CG LYS A 96 -5.115 -18.072 -7.548 1.00 0.00 C ATOM 1433 CD LYS A 96 -3.793 -18.642 -8.035 1.00 0.00 C ATOM 1434 CE LYS A 96 -2.864 -18.964 -6.874 1.00 0.00 C ATOM 1435 NZ LYS A 96 -3.058 -20.354 -6.377 1.00 0.00 N ATOM 0 H LYS A 96 -6.727 -18.167 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.839 -17.948 -7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.771 -19.779 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.191 -19.822 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.515 -17.388 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.949 -17.490 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.977 -19.545 -8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.310 -17.927 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.829 -18.832 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.041 -18.260 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.209 -20.337 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.887 -20.776 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.214 -20.921 -6.594 1.00 0.00 H new ATOM 1449 N ALA A 97 -9.796 -19.486 -7.074 1.00 0.00 N ATOM 1450 CA ALA A 97 -10.843 -20.500 -7.057 1.00 0.00 C ATOM 1451 C ALA A 97 -10.852 -21.302 -8.354 1.00 0.00 C ATOM 1452 O ALA A 97 -11.160 -20.770 -9.421 1.00 0.00 O ATOM 1453 CB ALA A 97 -12.200 -19.854 -6.824 1.00 0.00 C ATOM 0 H ALA A 97 -10.131 -18.536 -7.235 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.635 -21.187 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -12.972 -20.623 -6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.195 -19.332 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.407 -19.143 -7.624 1.00 0.00 H new ATOM 1459 N SER A 98 -10.511 -22.583 -8.255 1.00 0.00 N ATOM 1460 CA SER A 98 -10.476 -23.456 -9.422 1.00 0.00 C ATOM 1461 C SER A 98 -11.618 -24.467 -9.379 1.00 0.00 C ATOM 1462 O SER A 98 -11.435 -25.610 -8.963 1.00 0.00 O ATOM 1463 CB SER A 98 -9.135 -24.189 -9.497 1.00 0.00 C ATOM 1464 OG SER A 98 -8.052 -23.275 -9.456 1.00 0.00 O ATOM 0 H SER A 98 -10.255 -23.039 -7.379 1.00 0.00 H new ATOM 0 HA SER A 98 -10.595 -22.837 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.054 -24.891 -8.668 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.087 -24.774 -10.416 1.00 0.00 H new ATOM 0 HG SER A 98 -7.206 -23.768 -9.504 1.00 0.00 H new ATOM 1470 N GLY A 99 -12.798 -24.035 -9.813 1.00 0.00 N ATOM 1471 CA GLY A 99 -13.954 -24.912 -9.817 1.00 0.00 C ATOM 1472 C GLY A 99 -14.342 -25.356 -11.213 1.00 0.00 C ATOM 1473 O GLY A 99 -13.630 -25.106 -12.187 1.00 0.00 O ATOM 0 H GLY A 99 -12.974 -23.093 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.742 -25.790 -9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.797 -24.398 -9.355 1.00 0.00 H new ATOM 1477 N PRO A 100 -15.494 -26.032 -11.325 1.00 0.00 N ATOM 1478 CA PRO A 100 -16.001 -26.527 -12.609 1.00 0.00 C ATOM 1479 C PRO A 100 -16.461 -25.398 -13.525 1.00 0.00 C ATOM 1480 O PRO A 100 -16.183 -25.406 -14.724 1.00 0.00 O ATOM 1481 CB PRO A 100 -17.187 -27.406 -12.207 1.00 0.00 C ATOM 1482 CG PRO A 100 -17.635 -26.863 -10.894 1.00 0.00 C ATOM 1483 CD PRO A 100 -16.393 -26.366 -10.207 1.00 0.00 C ATOM 0 HA PRO A 100 -15.233 -27.056 -13.174 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -17.985 -27.357 -12.948 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.893 -28.452 -12.123 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.355 -26.056 -11.030 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -18.128 -27.633 -10.301 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.600 -25.496 -9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.961 -27.128 -9.558 1.00 0.00 H new ATOM 1491 N SER A 101 -17.165 -24.427 -12.951 1.00 0.00 N ATOM 1492 CA SER A 101 -17.666 -23.292 -13.717 1.00 0.00 C ATOM 1493 C SER A 101 -18.726 -23.739 -14.720 1.00 0.00 C ATOM 1494 O SER A 101 -18.741 -23.289 -15.866 1.00 0.00 O ATOM 1495 CB SER A 101 -16.517 -22.595 -14.449 1.00 0.00 C ATOM 1496 OG SER A 101 -16.948 -21.378 -15.032 1.00 0.00 O ATOM 0 H SER A 101 -17.401 -24.404 -11.959 1.00 0.00 H new ATOM 0 HA SER A 101 -18.123 -22.589 -13.020 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.703 -22.399 -13.751 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.122 -23.253 -15.223 1.00 0.00 H new ATOM 0 HG SER A 101 -17.684 -21.556 -15.655 1.00 0.00 H new ATOM 1502 N SER A 102 -19.611 -24.628 -14.280 1.00 0.00 N ATOM 1503 CA SER A 102 -20.672 -25.139 -15.139 1.00 0.00 C ATOM 1504 C SER A 102 -22.039 -24.669 -14.653 1.00 0.00 C ATOM 1505 O SER A 102 -22.196 -24.269 -13.500 1.00 0.00 O ATOM 1506 CB SER A 102 -20.631 -26.668 -15.180 1.00 0.00 C ATOM 1507 OG SER A 102 -20.897 -27.220 -13.902 1.00 0.00 O ATOM 0 H SER A 102 -19.614 -25.009 -13.334 1.00 0.00 H new ATOM 0 HA SER A 102 -20.510 -24.750 -16.144 1.00 0.00 H new ATOM 0 HB2 SER A 102 -21.364 -27.035 -15.898 1.00 0.00 H new ATOM 0 HB3 SER A 102 -19.652 -26.999 -15.526 1.00 0.00 H new ATOM 0 HG SER A 102 -20.867 -28.198 -13.955 1.00 0.00 H new ATOM 1513 N GLY A 103 -23.027 -24.720 -15.542 1.00 0.00 N ATOM 1514 CA GLY A 103 -24.368 -24.296 -15.185 1.00 0.00 C ATOM 1515 C GLY A 103 -24.440 -22.820 -14.850 1.00 0.00 C ATOM 1516 O GLY A 103 -25.492 -22.316 -14.457 1.00 0.00 O ATOM 0 H GLY A 103 -22.922 -25.047 -16.502 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -25.046 -24.511 -16.011 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -24.714 -24.877 -14.330 1.00 0.00 H new TER 1520 GLY A 103