USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 641 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 82 GLN : amide:sc= -0.485 X(o=-0.74,f=-1) USER MOD Set 1.2: A 84 HIS : no HE2:sc= -0.256 X(o=-0.74,f=-1) USER MOD Set 2.1: A 41 GLN : amide:sc= -5.89! C(o=-5.9!,f=-13!) USER MOD Set 2.2: A 75 MET CE :methyl 140:sc= -0.0113 (180deg=-0.0924) USER MOD Set 3.1: A 36 GLN : amide:sc= -4.94! C(o=-9.8!,f=-11!) USER MOD Set 3.2: A 46 THR OG1 : rot 133:sc= -4.83! USER MOD Single : A 1 GLY N :NH3+ -137:sc=-0.000251 (180deg=-0.627) USER MOD Single : A 5 SER OG : rot 95:sc= 0.131 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.852 K(o=-0.85,f=-0.028) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.0152 USER MOD Single : A 22 GLN : amide:sc= -20.8! C(o=-21!,f=-11!) USER MOD Single : A 24 MET CE :methyl -151:sc= -0.227 (180deg=-1.28) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 31 TYR OH : rot 92:sc= -1.41 USER MOD Single : A 39 HIS : no HD1:sc= -0.231 K(o=-0.23,f=-0.79) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-5.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -120:sc=-0.00389 (180deg=-1.07) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.711 -11.703 9.130 1.00 0.00 N ATOM 2 CA GLY A 1 32.406 -12.701 10.192 1.00 0.00 C ATOM 3 C GLY A 1 31.408 -13.749 9.735 1.00 0.00 C ATOM 4 O GLY A 1 30.258 -13.746 10.175 1.00 0.00 O ATOM 0 H1 GLY A 1 33.734 -11.518 9.111 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.410 -12.075 8.207 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.202 -10.818 9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.329 -13.193 10.500 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.012 -12.186 11.068 1.00 0.00 H new ATOM 10 N PRO A 2 31.821 -14.667 8.844 1.00 0.00 N ATOM 11 CA PRO A 2 30.943 -15.723 8.334 1.00 0.00 C ATOM 12 C PRO A 2 30.612 -16.766 9.396 1.00 0.00 C ATOM 13 O PRO A 2 31.507 -17.371 9.987 1.00 0.00 O ATOM 14 CB PRO A 2 31.763 -16.354 7.205 1.00 0.00 C ATOM 15 CG PRO A 2 33.180 -16.077 7.567 1.00 0.00 C ATOM 16 CD PRO A 2 33.176 -14.745 8.266 1.00 0.00 C ATOM 0 HA PRO A 2 29.979 -15.329 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 2 31.575 -17.425 7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 2 31.508 -15.918 6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 2 33.577 -16.857 8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 2 33.812 -16.050 6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 2 33.945 -14.693 9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 2 33.365 -13.926 7.572 1.00 0.00 H new ATOM 24 N LEU A 3 29.320 -16.971 9.635 1.00 0.00 N ATOM 25 CA LEU A 3 28.870 -17.940 10.627 1.00 0.00 C ATOM 26 C LEU A 3 28.900 -19.355 10.058 1.00 0.00 C ATOM 27 O LEU A 3 29.510 -20.255 10.634 1.00 0.00 O ATOM 28 CB LEU A 3 27.457 -17.599 11.102 1.00 0.00 C ATOM 29 CG LEU A 3 27.352 -16.348 11.976 1.00 0.00 C ATOM 30 CD1 LEU A 3 27.037 -15.127 11.126 1.00 0.00 C ATOM 31 CD2 LEU A 3 26.292 -16.538 13.052 1.00 0.00 C ATOM 0 H LEU A 3 28.567 -16.479 9.155 1.00 0.00 H new ATOM 0 HA LEU A 3 29.551 -17.894 11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 3 26.818 -17.468 10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 3 27.063 -18.448 11.661 1.00 0.00 H new ATOM 0 HG LEU A 3 28.313 -16.187 12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 3 26.966 -14.247 11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 3 27.830 -14.980 10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 3 26.089 -15.278 10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 3 26.230 -15.639 13.665 1.00 0.00 H new ATOM 0 HD22 LEU A 3 25.326 -16.724 12.582 1.00 0.00 H new ATOM 0 HD23 LEU A 3 26.560 -17.388 13.680 1.00 0.00 H new ATOM 43 N GLY A 4 28.237 -19.543 8.921 1.00 0.00 N ATOM 44 CA GLY A 4 28.200 -20.849 8.290 1.00 0.00 C ATOM 45 C GLY A 4 28.255 -20.764 6.778 1.00 0.00 C ATOM 46 O GLY A 4 29.336 -20.778 6.188 1.00 0.00 O ATOM 0 H GLY A 4 27.725 -18.813 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.039 -21.446 8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.289 -21.368 8.589 1.00 0.00 H new ATOM 50 N SER A 5 27.088 -20.677 6.149 1.00 0.00 N ATOM 51 CA SER A 5 27.008 -20.589 4.695 1.00 0.00 C ATOM 52 C SER A 5 27.382 -19.189 4.214 1.00 0.00 C ATOM 53 O SER A 5 27.103 -18.198 4.889 1.00 0.00 O ATOM 54 CB SER A 5 25.598 -20.945 4.220 1.00 0.00 C ATOM 55 OG SER A 5 24.631 -20.095 4.811 1.00 0.00 O ATOM 0 H SER A 5 26.185 -20.666 6.623 1.00 0.00 H new ATOM 0 HA SER A 5 27.717 -21.300 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.545 -20.862 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.377 -21.982 4.472 1.00 0.00 H new ATOM 0 HG SER A 5 24.438 -19.348 4.206 1.00 0.00 H new ATOM 61 N PRO A 6 28.023 -19.087 3.035 1.00 0.00 N ATOM 62 CA PRO A 6 28.432 -17.796 2.471 1.00 0.00 C ATOM 63 C PRO A 6 27.263 -16.824 2.345 1.00 0.00 C ATOM 64 O PRO A 6 27.237 -15.781 2.999 1.00 0.00 O ATOM 65 CB PRO A 6 28.978 -18.162 1.088 1.00 0.00 C ATOM 66 CG PRO A 6 29.364 -19.596 1.194 1.00 0.00 C ATOM 67 CD PRO A 6 28.397 -20.216 2.163 1.00 0.00 C ATOM 0 HA PRO A 6 29.158 -17.288 3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 6 28.225 -18.012 0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 6 29.834 -17.541 0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 6 29.311 -20.087 0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 6 30.390 -19.699 1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 6 27.530 -20.636 1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 6 28.857 -21.026 2.728 1.00 0.00 H new ATOM 75 N ILE A 7 26.297 -17.173 1.500 1.00 0.00 N ATOM 76 CA ILE A 7 25.130 -16.334 1.288 1.00 0.00 C ATOM 77 C ILE A 7 24.102 -16.533 2.399 1.00 0.00 C ATOM 78 O ILE A 7 23.936 -17.638 2.913 1.00 0.00 O ATOM 79 CB ILE A 7 24.465 -16.626 -0.072 1.00 0.00 C ATOM 80 CG1 ILE A 7 25.504 -16.578 -1.194 1.00 0.00 C ATOM 81 CG2 ILE A 7 23.344 -15.633 -0.339 1.00 0.00 C ATOM 82 CD1 ILE A 7 25.307 -17.647 -2.247 1.00 0.00 C ATOM 0 H ILE A 7 26.303 -18.033 0.952 1.00 0.00 H new ATOM 0 HA ILE A 7 25.477 -15.301 1.298 1.00 0.00 H new ATOM 0 HB ILE A 7 24.037 -17.628 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 7 25.467 -15.599 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 7 26.499 -16.684 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 7 22.885 -15.853 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 7 22.593 -15.712 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 7 23.750 -14.621 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 7 26.079 -17.552 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 7 25.374 -18.631 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 7 24.326 -17.528 -2.707 1.00 0.00 H new ATOM 94 N GLY A 8 23.415 -15.454 2.762 1.00 0.00 N ATOM 95 CA GLY A 8 22.412 -15.533 3.807 1.00 0.00 C ATOM 96 C GLY A 8 22.317 -14.257 4.619 1.00 0.00 C ATOM 97 O GLY A 8 22.175 -13.168 4.063 1.00 0.00 O ATOM 0 H GLY A 8 23.535 -14.528 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 8 21.442 -15.748 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 8 22.648 -16.365 4.470 1.00 0.00 H new ATOM 101 N ALA A 9 22.394 -14.390 5.940 1.00 0.00 N ATOM 102 CA ALA A 9 22.315 -13.239 6.830 1.00 0.00 C ATOM 103 C ALA A 9 23.429 -12.240 6.537 1.00 0.00 C ATOM 104 O ALA A 9 23.229 -11.028 6.628 1.00 0.00 O ATOM 105 CB ALA A 9 22.377 -13.690 8.281 1.00 0.00 C ATOM 0 H ALA A 9 22.511 -15.284 6.417 1.00 0.00 H new ATOM 0 HA ALA A 9 21.361 -12.741 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 9 22.317 -12.820 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.543 -14.359 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 9 23.316 -14.214 8.459 1.00 0.00 H new ATOM 111 N LEU A 10 24.601 -12.755 6.186 1.00 0.00 N ATOM 112 CA LEU A 10 25.747 -11.906 5.878 1.00 0.00 C ATOM 113 C LEU A 10 25.458 -11.017 4.674 1.00 0.00 C ATOM 114 O LEU A 10 25.816 -9.840 4.658 1.00 0.00 O ATOM 115 CB LEU A 10 26.985 -12.762 5.610 1.00 0.00 C ATOM 116 CG LEU A 10 28.322 -12.034 5.762 1.00 0.00 C ATOM 117 CD1 LEU A 10 29.478 -13.017 5.668 1.00 0.00 C ATOM 118 CD2 LEU A 10 28.458 -10.946 4.707 1.00 0.00 C ATOM 0 H LEU A 10 24.784 -13.755 6.107 1.00 0.00 H new ATOM 0 HA LEU A 10 25.936 -11.267 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 10 26.973 -13.614 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 10 26.919 -13.162 4.598 1.00 0.00 H new ATOM 0 HG LEU A 10 28.350 -11.565 6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 10 30.421 -12.481 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 10 29.388 -13.761 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 10 29.455 -13.515 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 10 29.415 -10.438 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 10 28.409 -11.394 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 10 27.648 -10.226 4.820 1.00 0.00 H new ATOM 130 N ALA A 11 24.807 -11.589 3.666 1.00 0.00 N ATOM 131 CA ALA A 11 24.469 -10.847 2.457 1.00 0.00 C ATOM 132 C ALA A 11 23.457 -9.745 2.753 1.00 0.00 C ATOM 133 O ALA A 11 22.248 -9.973 2.715 1.00 0.00 O ATOM 134 CB ALA A 11 23.927 -11.792 1.394 1.00 0.00 C ATOM 0 H ALA A 11 24.503 -12.563 3.663 1.00 0.00 H new ATOM 0 HA ALA A 11 25.378 -10.377 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 11 23.678 -11.226 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 11 24.682 -12.540 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 11 23.032 -12.287 1.770 1.00 0.00 H new ATOM 140 N SER A 12 23.960 -8.551 3.048 1.00 0.00 N ATOM 141 CA SER A 12 23.100 -7.413 3.350 1.00 0.00 C ATOM 142 C SER A 12 22.410 -6.901 2.090 1.00 0.00 C ATOM 143 O SER A 12 21.269 -6.442 2.138 1.00 0.00 O ATOM 144 CB SER A 12 23.914 -6.288 3.992 1.00 0.00 C ATOM 145 OG SER A 12 23.927 -6.408 5.404 1.00 0.00 O ATOM 0 H SER A 12 24.959 -8.346 3.084 1.00 0.00 H new ATOM 0 HA SER A 12 22.335 -7.745 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.936 -6.312 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.492 -5.323 3.710 1.00 0.00 H new ATOM 0 HG SER A 12 24.455 -5.678 5.789 1.00 0.00 H new ATOM 151 N ALA A 13 23.110 -6.984 0.963 1.00 0.00 N ATOM 152 CA ALA A 13 22.566 -6.529 -0.310 1.00 0.00 C ATOM 153 C ALA A 13 21.321 -7.325 -0.691 1.00 0.00 C ATOM 154 O ALA A 13 20.291 -6.751 -1.047 1.00 0.00 O ATOM 155 CB ALA A 13 23.618 -6.639 -1.403 1.00 0.00 C ATOM 0 H ALA A 13 24.056 -7.362 0.906 1.00 0.00 H new ATOM 0 HA ALA A 13 22.279 -5.483 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 13 23.198 -6.296 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 13 24.478 -6.022 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 13 23.933 -7.678 -1.502 1.00 0.00 H new ATOM 161 N LEU A 14 21.423 -8.647 -0.612 1.00 0.00 N ATOM 162 CA LEU A 14 20.305 -9.521 -0.949 1.00 0.00 C ATOM 163 C LEU A 14 19.102 -9.235 -0.055 1.00 0.00 C ATOM 164 O LEU A 14 17.955 -9.405 -0.469 1.00 0.00 O ATOM 165 CB LEU A 14 20.719 -10.987 -0.812 1.00 0.00 C ATOM 166 CG LEU A 14 21.460 -11.566 -2.019 1.00 0.00 C ATOM 167 CD1 LEU A 14 22.548 -12.529 -1.569 1.00 0.00 C ATOM 168 CD2 LEU A 14 20.484 -12.263 -2.956 1.00 0.00 C ATOM 0 H LEU A 14 22.268 -9.137 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 14 20.021 -9.325 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.354 -11.089 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.826 -11.586 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 14 21.932 -10.745 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 14 23.063 -12.930 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 14 23.262 -12.001 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 14 22.099 -13.347 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.026 -12.670 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.985 -13.073 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.741 -11.546 -3.306 1.00 0.00 H new ATOM 180 N ALA A 15 19.371 -8.798 1.171 1.00 0.00 N ATOM 181 CA ALA A 15 18.311 -8.489 2.122 1.00 0.00 C ATOM 182 C ALA A 15 17.389 -7.401 1.580 1.00 0.00 C ATOM 183 O ALA A 15 16.183 -7.417 1.827 1.00 0.00 O ATOM 184 CB ALA A 15 18.906 -8.064 3.455 1.00 0.00 C ATOM 0 H ALA A 15 20.315 -8.650 1.529 1.00 0.00 H new ATOM 0 HA ALA A 15 17.717 -9.390 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.103 -7.836 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.518 -8.873 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.524 -7.178 3.311 1.00 0.00 H new ATOM 190 N ASN A 16 17.964 -6.458 0.842 1.00 0.00 N ATOM 191 CA ASN A 16 17.193 -5.362 0.266 1.00 0.00 C ATOM 192 C ASN A 16 16.145 -5.889 -0.710 1.00 0.00 C ATOM 193 O ASN A 16 16.441 -6.140 -1.878 1.00 0.00 O ATOM 194 CB ASN A 16 18.121 -4.378 -0.448 1.00 0.00 C ATOM 195 CG ASN A 16 19.071 -3.683 0.507 1.00 0.00 C ATOM 196 OD1 ASN A 16 18.780 -2.599 1.013 1.00 0.00 O ATOM 197 ND2 ASN A 16 20.217 -4.305 0.760 1.00 0.00 N ATOM 0 H ASN A 16 18.961 -6.430 0.628 1.00 0.00 H new ATOM 0 HA ASN A 16 16.681 -4.845 1.078 1.00 0.00 H new ATOM 0 HB2 ASN A 16 18.696 -4.910 -1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.522 -3.631 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 16 20.896 -3.885 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 16 20.418 -5.202 0.319 1.00 0.00 H new ATOM 204 N SER A 17 14.920 -6.054 -0.222 1.00 0.00 N ATOM 205 CA SER A 17 13.828 -6.551 -1.051 1.00 0.00 C ATOM 206 C SER A 17 13.112 -5.400 -1.755 1.00 0.00 C ATOM 207 O SER A 17 13.046 -4.287 -1.234 1.00 0.00 O ATOM 208 CB SER A 17 12.834 -7.342 -0.200 1.00 0.00 C ATOM 209 OG SER A 17 13.441 -7.814 0.990 1.00 0.00 O ATOM 0 H SER A 17 14.659 -5.851 0.743 1.00 0.00 H new ATOM 0 HA SER A 17 14.251 -7.210 -1.809 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.981 -6.710 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.449 -8.185 -0.774 1.00 0.00 H new ATOM 0 HG SER A 17 12.783 -8.315 1.516 1.00 0.00 H new ATOM 215 N PRO A 18 12.563 -5.657 -2.955 1.00 0.00 N ATOM 216 CA PRO A 18 11.848 -4.638 -3.731 1.00 0.00 C ATOM 217 C PRO A 18 10.601 -4.129 -3.012 1.00 0.00 C ATOM 218 O PRO A 18 10.176 -4.702 -2.008 1.00 0.00 O ATOM 219 CB PRO A 18 11.460 -5.368 -5.022 1.00 0.00 C ATOM 220 CG PRO A 18 11.509 -6.816 -4.678 1.00 0.00 C ATOM 221 CD PRO A 18 12.593 -6.956 -3.648 1.00 0.00 C ATOM 0 HA PRO A 18 12.463 -3.754 -3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.465 -5.076 -5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.150 -5.131 -5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.551 -7.157 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.726 -7.420 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.396 -7.782 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.563 -7.146 -4.107 1.00 0.00 H new ATOM 229 N PRO A 19 9.995 -3.042 -3.520 1.00 0.00 N ATOM 230 CA PRO A 19 8.790 -2.454 -2.924 1.00 0.00 C ATOM 231 C PRO A 19 7.616 -3.428 -2.909 1.00 0.00 C ATOM 232 O PRO A 19 6.806 -3.423 -1.982 1.00 0.00 O ATOM 233 CB PRO A 19 8.480 -1.256 -3.831 1.00 0.00 C ATOM 234 CG PRO A 19 9.208 -1.530 -5.101 1.00 0.00 C ATOM 235 CD PRO A 19 10.435 -2.302 -4.714 1.00 0.00 C ATOM 0 HA PRO A 19 8.949 -2.181 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.408 -1.160 -4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.815 -0.322 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.588 -2.102 -5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.474 -0.602 -5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.757 -2.974 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.275 -1.643 -4.494 1.00 0.00 H new ATOM 243 N GLU A 20 7.530 -4.259 -3.941 1.00 0.00 N ATOM 244 CA GLU A 20 6.453 -5.239 -4.047 1.00 0.00 C ATOM 245 C GLU A 20 6.510 -6.233 -2.892 1.00 0.00 C ATOM 246 O GLU A 20 5.474 -6.720 -2.421 1.00 0.00 O ATOM 247 CB GLU A 20 6.540 -5.983 -5.381 1.00 0.00 C ATOM 248 CG GLU A 20 6.833 -5.076 -6.565 1.00 0.00 C ATOM 249 CD GLU A 20 5.702 -5.050 -7.576 1.00 0.00 C ATOM 250 OE1 GLU A 20 4.964 -6.053 -7.667 1.00 0.00 O ATOM 251 OE2 GLU A 20 5.555 -4.027 -8.275 1.00 0.00 O ATOM 0 H GLU A 20 8.192 -4.275 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 20 5.503 -4.706 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.319 -6.742 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.600 -6.506 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.017 -4.064 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.747 -5.410 -7.056 1.00 0.00 H new ATOM 258 N THR A 21 7.724 -6.529 -2.435 1.00 0.00 N ATOM 259 CA THR A 21 7.906 -7.465 -1.335 1.00 0.00 C ATOM 260 C THR A 21 7.255 -6.915 -0.083 1.00 0.00 C ATOM 261 O THR A 21 6.478 -7.602 0.581 1.00 0.00 O ATOM 262 CB THR A 21 9.396 -7.723 -1.091 1.00 0.00 C ATOM 263 OG1 THR A 21 9.966 -8.426 -2.181 1.00 0.00 O ATOM 264 CG2 THR A 21 9.670 -8.524 0.165 1.00 0.00 C ATOM 0 H THR A 21 8.589 -6.137 -2.807 1.00 0.00 H new ATOM 0 HA THR A 21 7.434 -8.412 -1.595 1.00 0.00 H new ATOM 0 HB THR A 21 9.845 -6.736 -0.976 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.706 -8.983 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.744 -8.670 0.276 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.285 -7.986 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.178 -9.494 0.093 1.00 0.00 H new ATOM 272 N GLN A 22 7.528 -5.655 0.203 1.00 0.00 N ATOM 273 CA GLN A 22 6.912 -5.004 1.346 1.00 0.00 C ATOM 274 C GLN A 22 5.445 -4.826 1.055 1.00 0.00 C ATOM 275 O GLN A 22 4.593 -5.093 1.896 1.00 0.00 O ATOM 276 CB GLN A 22 7.516 -3.625 1.635 1.00 0.00 C ATOM 277 CG GLN A 22 6.593 -2.724 2.464 1.00 0.00 C ATOM 278 CD GLN A 22 5.461 -2.103 1.642 1.00 0.00 C ATOM 279 OE1 GLN A 22 5.708 -1.241 0.799 1.00 0.00 O ATOM 280 NE2 GLN A 22 4.209 -2.535 1.879 1.00 0.00 N ATOM 0 H GLN A 22 8.165 -5.067 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 22 7.084 -5.633 2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.460 -3.753 2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.744 -3.130 0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.164 -3.306 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.184 -1.928 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.042 -3.251 2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.427 -2.146 1.352 1.00 0.00 H new ATOM 289 N ARG A 23 5.178 -4.320 -0.148 1.00 0.00 N ATOM 290 CA ARG A 23 3.834 -4.033 -0.600 1.00 0.00 C ATOM 291 C ARG A 23 2.798 -4.793 0.209 1.00 0.00 C ATOM 292 O ARG A 23 2.292 -4.289 1.206 1.00 0.00 O ATOM 293 CB ARG A 23 3.690 -4.338 -2.092 1.00 0.00 C ATOM 294 CG ARG A 23 2.300 -4.053 -2.622 1.00 0.00 C ATOM 295 CD ARG A 23 1.752 -5.216 -3.436 1.00 0.00 C ATOM 296 NE ARG A 23 1.550 -4.857 -4.838 1.00 0.00 N ATOM 297 CZ ARG A 23 1.422 -5.747 -5.820 1.00 0.00 C ATOM 298 NH1 ARG A 23 1.473 -7.047 -5.559 1.00 0.00 N ATOM 299 NH2 ARG A 23 1.241 -5.334 -7.067 1.00 0.00 N ATOM 0 H ARG A 23 5.899 -4.099 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 23 3.653 -2.969 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.415 -3.745 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.932 -5.386 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.629 -3.846 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.325 -3.156 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.441 -6.058 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.806 -5.545 -3.006 1.00 0.00 H new ATOM 0 HE ARG A 23 1.504 -3.867 -5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.611 -7.370 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.374 -7.723 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.200 -4.336 -7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.143 -6.015 -7.820 1.00 0.00 H new ATOM 313 N MET A 24 2.497 -6.007 -0.202 1.00 0.00 N ATOM 314 CA MET A 24 1.521 -6.804 0.512 1.00 0.00 C ATOM 315 C MET A 24 1.929 -7.005 1.972 1.00 0.00 C ATOM 316 O MET A 24 1.075 -7.064 2.852 1.00 0.00 O ATOM 317 CB MET A 24 1.321 -8.156 -0.176 1.00 0.00 C ATOM 318 CG MET A 24 0.276 -9.031 0.498 1.00 0.00 C ATOM 319 SD MET A 24 0.972 -10.549 1.181 1.00 0.00 S ATOM 320 CE MET A 24 1.754 -11.248 -0.271 1.00 0.00 C ATOM 0 H MET A 24 2.909 -6.460 -1.018 1.00 0.00 H new ATOM 0 HA MET A 24 0.576 -6.262 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.029 -7.988 -1.212 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.272 -8.689 -0.196 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.205 -8.466 1.296 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.500 -9.285 -0.224 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.769 -12.335 -0.189 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.194 -10.959 -1.160 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.776 -10.876 -0.349 1.00 0.00 H new ATOM 330 N MET A 25 3.230 -7.134 2.223 1.00 0.00 N ATOM 331 CA MET A 25 3.720 -7.354 3.584 1.00 0.00 C ATOM 332 C MET A 25 3.277 -6.244 4.543 1.00 0.00 C ATOM 333 O MET A 25 2.719 -6.535 5.602 1.00 0.00 O ATOM 334 CB MET A 25 5.245 -7.463 3.587 1.00 0.00 C ATOM 335 CG MET A 25 5.757 -8.846 3.219 1.00 0.00 C ATOM 336 SD MET A 25 5.822 -9.962 4.634 1.00 0.00 S ATOM 337 CE MET A 25 6.533 -11.422 3.879 1.00 0.00 C ATOM 0 H MET A 25 3.959 -7.091 1.510 1.00 0.00 H new ATOM 0 HA MET A 25 3.285 -8.289 3.936 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.654 -6.735 2.887 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.618 -7.198 4.576 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.113 -9.275 2.452 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.753 -8.757 2.785 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.637 -12.206 4.629 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.882 -11.771 3.078 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.514 -11.179 3.470 1.00 0.00 H new ATOM 347 N LEU A 26 3.493 -4.974 4.181 1.00 0.00 N ATOM 348 CA LEU A 26 3.061 -3.879 5.053 1.00 0.00 C ATOM 349 C LEU A 26 1.544 -3.843 5.079 1.00 0.00 C ATOM 350 O LEU A 26 0.937 -3.837 6.144 1.00 0.00 O ATOM 351 CB LEU A 26 3.625 -2.531 4.607 1.00 0.00 C ATOM 352 CG LEU A 26 3.692 -1.468 5.699 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.848 -1.748 6.647 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.825 -0.082 5.086 1.00 0.00 C ATOM 0 H LEU A 26 3.951 -4.685 3.316 1.00 0.00 H new ATOM 0 HA LEU A 26 3.448 -4.062 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.628 -2.687 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.014 -2.151 3.788 1.00 0.00 H new ATOM 0 HG LEU A 26 2.765 -1.503 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.880 -0.979 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.709 -2.724 7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.785 -1.742 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.871 0.664 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.736 -0.034 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.963 0.119 4.449 1.00 0.00 H new ATOM 366 N GLY A 27 0.932 -3.884 3.893 1.00 0.00 N ATOM 367 CA GLY A 27 -0.489 -3.920 3.806 1.00 0.00 C ATOM 368 C GLY A 27 -1.021 -5.096 4.592 1.00 0.00 C ATOM 369 O GLY A 27 -2.119 -5.054 5.107 1.00 0.00 O ATOM 0 H GLY A 27 1.416 -3.892 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.910 -2.992 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.797 -3.999 2.763 1.00 0.00 H new ATOM 373 N GLU A 28 -0.231 -6.143 4.733 1.00 0.00 N ATOM 374 CA GLU A 28 -0.682 -7.282 5.507 1.00 0.00 C ATOM 375 C GLU A 28 -1.086 -6.806 6.898 1.00 0.00 C ATOM 376 O GLU A 28 -2.143 -7.174 7.416 1.00 0.00 O ATOM 377 CB GLU A 28 0.423 -8.337 5.609 1.00 0.00 C ATOM 378 CG GLU A 28 -0.099 -9.764 5.637 1.00 0.00 C ATOM 379 CD GLU A 28 -0.921 -10.060 6.875 1.00 0.00 C ATOM 380 OE1 GLU A 28 -0.324 -10.408 7.915 1.00 0.00 O ATOM 381 OE2 GLU A 28 -2.163 -9.944 6.806 1.00 0.00 O ATOM 0 H GLU A 28 0.703 -6.229 4.333 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.539 -7.738 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.101 -8.224 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.006 -8.154 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.708 -9.942 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.742 -10.456 5.590 1.00 0.00 H new ATOM 388 N ASN A 29 -0.251 -5.950 7.481 1.00 0.00 N ATOM 389 CA ASN A 29 -0.529 -5.403 8.808 1.00 0.00 C ATOM 390 C ASN A 29 -1.219 -4.044 8.720 1.00 0.00 C ATOM 391 O ASN A 29 -2.210 -3.784 9.411 1.00 0.00 O ATOM 392 CB ASN A 29 0.768 -5.274 9.608 1.00 0.00 C ATOM 393 CG ASN A 29 0.536 -5.365 11.104 1.00 0.00 C ATOM 394 OD1 ASN A 29 -0.407 -4.775 11.634 1.00 0.00 O ATOM 395 ND2 ASN A 29 1.396 -6.104 11.792 1.00 0.00 N ATOM 0 H ASN A 29 0.618 -5.621 7.060 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.203 -6.093 9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.460 -6.059 9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.243 -4.321 9.374 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.291 -6.201 12.802 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.162 -6.575 11.311 1.00 0.00 H new ATOM 402 N LEU A 30 -0.692 -3.174 7.873 1.00 0.00 N ATOM 403 CA LEU A 30 -1.253 -1.844 7.713 1.00 0.00 C ATOM 404 C LEU A 30 -2.478 -1.836 6.795 1.00 0.00 C ATOM 405 O LEU A 30 -3.369 -1.020 6.986 1.00 0.00 O ATOM 406 CB LEU A 30 -0.184 -0.875 7.212 1.00 0.00 C ATOM 407 CG LEU A 30 0.785 -0.389 8.296 1.00 0.00 C ATOM 408 CD1 LEU A 30 2.015 0.258 7.677 1.00 0.00 C ATOM 409 CD2 LEU A 30 0.084 0.579 9.242 1.00 0.00 C ATOM 0 H LEU A 30 0.121 -3.365 7.288 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.596 -1.513 8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.388 -1.360 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.675 -0.010 6.766 1.00 0.00 H new ATOM 0 HG LEU A 30 1.115 -1.255 8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.686 0.594 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.530 -0.468 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.711 1.112 7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.786 0.914 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.278 1.439 8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.758 0.077 9.719 1.00 0.00 H new ATOM 421 N TYR A 31 -2.544 -2.745 5.815 1.00 0.00 N ATOM 422 CA TYR A 31 -3.708 -2.794 4.927 1.00 0.00 C ATOM 423 C TYR A 31 -4.945 -3.053 5.762 1.00 0.00 C ATOM 424 O TYR A 31 -5.924 -2.345 5.629 1.00 0.00 O ATOM 425 CB TYR A 31 -3.570 -3.833 3.792 1.00 0.00 C ATOM 426 CG TYR A 31 -4.850 -4.556 3.411 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.365 -5.567 4.215 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.536 -4.236 2.246 1.00 0.00 C ATOM 429 CE1 TYR A 31 -6.524 -6.235 3.872 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.699 -4.901 1.900 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.187 -5.897 2.716 1.00 0.00 C ATOM 432 OH TYR A 31 -8.341 -6.560 2.372 1.00 0.00 O ATOM 0 H TYR A 31 -1.823 -3.440 5.620 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.788 -1.830 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.180 -3.330 2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.829 -4.575 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.849 -5.835 5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.156 -3.457 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.908 -7.019 4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.223 -4.640 0.992 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.115 -6.076 2.729 1.00 0.00 H new ATOM 442 N PRO A 32 -4.927 -4.018 6.692 1.00 0.00 N ATOM 443 CA PRO A 32 -6.087 -4.231 7.530 1.00 0.00 C ATOM 444 C PRO A 32 -6.440 -2.934 8.242 1.00 0.00 C ATOM 445 O PRO A 32 -7.612 -2.644 8.482 1.00 0.00 O ATOM 446 CB PRO A 32 -5.639 -5.290 8.541 1.00 0.00 C ATOM 447 CG PRO A 32 -4.450 -5.940 7.928 1.00 0.00 C ATOM 448 CD PRO A 32 -3.816 -4.913 7.030 1.00 0.00 C ATOM 0 HA PRO A 32 -6.967 -4.546 6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.389 -4.837 9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.431 -6.015 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.749 -6.269 8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.741 -6.824 7.361 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.011 -4.380 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.385 -5.370 6.140 1.00 0.00 H new ATOM 456 N LEU A 33 -5.412 -2.134 8.550 1.00 0.00 N ATOM 457 CA LEU A 33 -5.637 -0.854 9.198 1.00 0.00 C ATOM 458 C LEU A 33 -6.096 0.172 8.181 1.00 0.00 C ATOM 459 O LEU A 33 -7.082 0.879 8.383 1.00 0.00 O ATOM 460 CB LEU A 33 -4.360 -0.372 9.890 1.00 0.00 C ATOM 461 CG LEU A 33 -4.582 0.581 11.066 1.00 0.00 C ATOM 462 CD1 LEU A 33 -4.913 -0.197 12.330 1.00 0.00 C ATOM 463 CD2 LEU A 33 -3.354 1.454 11.282 1.00 0.00 C ATOM 0 H LEU A 33 -4.434 -2.353 8.361 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.415 -0.979 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.807 -1.241 10.246 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.731 0.126 9.152 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.428 1.227 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.067 0.498 13.155 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.821 -0.779 12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.089 -0.868 12.571 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.529 2.126 12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.492 0.822 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.161 2.039 10.383 1.00 0.00 H new ATOM 475 N VAL A 34 -5.367 0.224 7.067 1.00 0.00 N ATOM 476 CA VAL A 34 -5.691 1.134 5.994 1.00 0.00 C ATOM 477 C VAL A 34 -6.862 0.627 5.209 1.00 0.00 C ATOM 478 O VAL A 34 -7.830 1.349 4.992 1.00 0.00 O ATOM 479 CB VAL A 34 -4.491 1.370 5.095 1.00 0.00 C ATOM 480 CG1 VAL A 34 -4.807 2.474 4.101 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.294 1.721 5.963 1.00 0.00 C ATOM 0 H VAL A 34 -4.548 -0.359 6.894 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.966 2.093 6.434 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.255 0.471 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.944 2.642 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.663 2.182 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.041 3.392 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.424 1.893 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.511 2.623 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.087 0.898 6.648 1.00 0.00 H new ATOM 491 N ASP A 35 -6.782 -0.639 4.815 1.00 0.00 N ATOM 492 CA ASP A 35 -7.874 -1.270 4.080 1.00 0.00 C ATOM 493 C ASP A 35 -9.235 -0.838 4.640 1.00 0.00 C ATOM 494 O ASP A 35 -9.771 -1.479 5.544 1.00 0.00 O ATOM 495 CB ASP A 35 -7.780 -2.793 4.136 1.00 0.00 C ATOM 496 CG ASP A 35 -8.854 -3.469 3.304 1.00 0.00 C ATOM 497 OD1 ASP A 35 -8.864 -3.266 2.072 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.683 -4.200 3.885 1.00 0.00 O ATOM 0 H ASP A 35 -5.980 -1.245 4.990 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.785 -0.945 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.798 -3.107 3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.866 -3.122 5.172 1.00 0.00 H new ATOM 503 N GLN A 36 -9.778 0.257 4.117 1.00 0.00 N ATOM 504 CA GLN A 36 -11.067 0.771 4.594 1.00 0.00 C ATOM 505 C GLN A 36 -12.219 -0.142 4.190 1.00 0.00 C ATOM 506 O GLN A 36 -12.922 -0.687 5.042 1.00 0.00 O ATOM 507 CB GLN A 36 -11.351 2.193 4.074 1.00 0.00 C ATOM 508 CG GLN A 36 -10.147 2.925 3.503 1.00 0.00 C ATOM 509 CD GLN A 36 -9.977 2.687 2.015 1.00 0.00 C ATOM 510 OE1 GLN A 36 -10.957 2.638 1.272 1.00 0.00 O ATOM 511 NE2 GLN A 36 -8.735 2.538 1.568 1.00 0.00 N ATOM 0 H GLN A 36 -9.353 0.805 3.369 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.995 0.802 5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -12.120 2.134 3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.763 2.786 4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.254 3.994 3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.247 2.600 4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.950 2.586 2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.566 2.376 0.575 1.00 0.00 H new ATOM 520 N LEU A 37 -12.420 -0.284 2.887 1.00 0.00 N ATOM 521 CA LEU A 37 -13.507 -1.111 2.367 1.00 0.00 C ATOM 522 C LEU A 37 -13.078 -2.571 2.237 1.00 0.00 C ATOM 523 O LEU A 37 -12.088 -2.994 2.834 1.00 0.00 O ATOM 524 CB LEU A 37 -13.991 -0.578 1.008 1.00 0.00 C ATOM 525 CG LEU A 37 -13.582 0.863 0.670 1.00 0.00 C ATOM 526 CD1 LEU A 37 -12.445 0.870 -0.341 1.00 0.00 C ATOM 527 CD2 LEU A 37 -14.772 1.648 0.139 1.00 0.00 C ATOM 0 H LEU A 37 -11.847 0.161 2.170 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.331 -1.060 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.613 -1.236 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.079 -0.643 0.980 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.235 1.344 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.168 1.899 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.585 0.346 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.767 0.370 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.461 2.666 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.151 1.168 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.558 1.673 0.894 1.00 0.00 H new ATOM 539 N GLU A 38 -13.832 -3.336 1.451 1.00 0.00 N ATOM 540 CA GLU A 38 -13.533 -4.746 1.240 1.00 0.00 C ATOM 541 C GLU A 38 -12.330 -4.920 0.317 1.00 0.00 C ATOM 542 O GLU A 38 -12.163 -4.177 -0.649 1.00 0.00 O ATOM 543 CB GLU A 38 -14.749 -5.465 0.652 1.00 0.00 C ATOM 544 CG GLU A 38 -15.740 -5.942 1.702 1.00 0.00 C ATOM 545 CD GLU A 38 -17.179 -5.818 1.243 1.00 0.00 C ATOM 546 OE1 GLU A 38 -17.563 -6.529 0.291 1.00 0.00 O ATOM 547 OE2 GLU A 38 -17.924 -5.010 1.838 1.00 0.00 O ATOM 0 H GLU A 38 -14.655 -3.001 0.950 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.290 -5.186 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.259 -4.793 -0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.408 -6.321 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.530 -6.983 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.603 -5.364 2.616 1.00 0.00 H new ATOM 554 N HIS A 39 -11.497 -5.909 0.635 1.00 0.00 N ATOM 555 CA HIS A 39 -10.291 -6.212 -0.142 1.00 0.00 C ATOM 556 C HIS A 39 -10.504 -6.026 -1.646 1.00 0.00 C ATOM 557 O HIS A 39 -9.569 -5.679 -2.368 1.00 0.00 O ATOM 558 CB HIS A 39 -9.834 -7.645 0.141 1.00 0.00 C ATOM 559 CG HIS A 39 -10.764 -8.690 -0.393 1.00 0.00 C ATOM 560 ND1 HIS A 39 -12.111 -8.722 -0.099 1.00 0.00 N ATOM 561 CD2 HIS A 39 -10.536 -9.747 -1.210 1.00 0.00 C ATOM 562 CE1 HIS A 39 -12.672 -9.750 -0.709 1.00 0.00 C ATOM 563 NE2 HIS A 39 -11.738 -10.388 -1.389 1.00 0.00 N ATOM 0 H HIS A 39 -11.636 -6.524 1.437 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.521 -5.506 0.169 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.846 -7.794 -0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.732 -7.778 1.218 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.587 -10.032 -1.640 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.716 -10.022 -0.660 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.885 -11.223 -1.956 1.00 0.00 H new ATOM 571 N ASP A 40 -11.731 -6.264 -2.112 1.00 0.00 N ATOM 572 CA ASP A 40 -12.059 -6.126 -3.533 1.00 0.00 C ATOM 573 C ASP A 40 -11.372 -4.909 -4.145 1.00 0.00 C ATOM 574 O ASP A 40 -10.413 -5.042 -4.905 1.00 0.00 O ATOM 575 CB ASP A 40 -13.574 -6.018 -3.720 1.00 0.00 C ATOM 576 CG ASP A 40 -14.295 -7.297 -3.343 1.00 0.00 C ATOM 577 OD1 ASP A 40 -13.643 -8.362 -3.321 1.00 0.00 O ATOM 578 OD2 ASP A 40 -15.513 -7.234 -3.070 1.00 0.00 O ATOM 0 H ASP A 40 -12.515 -6.553 -1.527 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.696 -7.016 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.955 -5.197 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.793 -5.774 -4.760 1.00 0.00 H new ATOM 583 N GLN A 41 -11.859 -3.727 -3.796 1.00 0.00 N ATOM 584 CA GLN A 41 -11.279 -2.484 -4.296 1.00 0.00 C ATOM 585 C GLN A 41 -10.469 -1.800 -3.200 1.00 0.00 C ATOM 586 O GLN A 41 -9.601 -0.972 -3.477 1.00 0.00 O ATOM 587 CB GLN A 41 -12.369 -1.536 -4.817 1.00 0.00 C ATOM 588 CG GLN A 41 -13.761 -1.826 -4.275 1.00 0.00 C ATOM 589 CD GLN A 41 -13.868 -1.581 -2.782 1.00 0.00 C ATOM 590 OE1 GLN A 41 -13.475 -2.422 -1.974 1.00 0.00 O ATOM 591 NE2 GLN A 41 -14.403 -0.425 -2.410 1.00 0.00 N ATOM 0 H GLN A 41 -12.654 -3.600 -3.169 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.617 -2.731 -5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.097 -0.512 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.396 -1.595 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.487 -1.201 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.022 -2.863 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.715 0.243 -3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -14.502 -0.204 -1.419 1.00 0.00 H new ATOM 600 N ALA A 42 -10.758 -2.160 -1.952 1.00 0.00 N ATOM 601 CA ALA A 42 -10.059 -1.593 -0.805 1.00 0.00 C ATOM 602 C ALA A 42 -8.582 -1.964 -0.824 1.00 0.00 C ATOM 603 O ALA A 42 -7.715 -1.127 -0.576 1.00 0.00 O ATOM 604 CB ALA A 42 -10.706 -2.071 0.479 1.00 0.00 C ATOM 0 H ALA A 42 -11.474 -2.845 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.132 -0.507 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.179 -1.644 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.749 -1.755 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.656 -3.159 0.529 1.00 0.00 H new ATOM 610 N ALA A 43 -8.306 -3.227 -1.127 1.00 0.00 N ATOM 611 CA ALA A 43 -6.938 -3.718 -1.185 1.00 0.00 C ATOM 612 C ALA A 43 -6.186 -3.084 -2.341 1.00 0.00 C ATOM 613 O ALA A 43 -4.973 -2.881 -2.274 1.00 0.00 O ATOM 614 CB ALA A 43 -6.926 -5.234 -1.321 1.00 0.00 C ATOM 0 H ALA A 43 -9.015 -3.930 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.438 -3.442 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.896 -5.587 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.428 -5.680 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.446 -5.521 -2.235 1.00 0.00 H new ATOM 620 N LYS A 44 -6.911 -2.791 -3.410 1.00 0.00 N ATOM 621 CA LYS A 44 -6.313 -2.199 -4.590 1.00 0.00 C ATOM 622 C LYS A 44 -5.753 -0.807 -4.309 1.00 0.00 C ATOM 623 O LYS A 44 -4.635 -0.505 -4.690 1.00 0.00 O ATOM 624 CB LYS A 44 -7.339 -2.122 -5.721 1.00 0.00 C ATOM 625 CG LYS A 44 -7.906 -3.475 -6.122 1.00 0.00 C ATOM 626 CD LYS A 44 -7.585 -3.811 -7.571 1.00 0.00 C ATOM 627 CE LYS A 44 -8.737 -4.543 -8.241 1.00 0.00 C ATOM 628 NZ LYS A 44 -8.805 -4.254 -9.700 1.00 0.00 N ATOM 0 H LYS A 44 -7.915 -2.955 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.484 -2.840 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.158 -1.471 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.874 -1.660 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.499 -4.248 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.987 -3.474 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.367 -2.894 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.687 -4.428 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.623 -5.616 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.675 -4.252 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.603 -4.772 -10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.939 -3.233 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.920 -4.555 -10.155 1.00 0.00 H new ATOM 642 N VAL A 45 -6.537 0.056 -3.679 1.00 0.00 N ATOM 643 CA VAL A 45 -6.081 1.415 -3.417 1.00 0.00 C ATOM 644 C VAL A 45 -4.972 1.517 -2.359 1.00 0.00 C ATOM 645 O VAL A 45 -3.955 2.173 -2.592 1.00 0.00 O ATOM 646 CB VAL A 45 -7.269 2.305 -2.984 1.00 0.00 C ATOM 647 CG1 VAL A 45 -8.440 2.112 -3.926 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.698 2.005 -1.558 1.00 0.00 C ATOM 0 H VAL A 45 -7.477 -0.155 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.653 1.761 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.938 3.343 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.270 2.744 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.141 2.385 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.753 1.068 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.535 2.649 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.003 0.961 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.864 2.190 -0.881 1.00 0.00 H new ATOM 658 N THR A 46 -5.171 0.911 -1.188 1.00 0.00 N ATOM 659 CA THR A 46 -4.177 1.018 -0.121 1.00 0.00 C ATOM 660 C THR A 46 -2.887 0.259 -0.394 1.00 0.00 C ATOM 661 O THR A 46 -1.796 0.819 -0.316 1.00 0.00 O ATOM 662 CB THR A 46 -4.793 0.483 1.185 1.00 0.00 C ATOM 663 OG1 THR A 46 -5.588 1.477 1.800 1.00 0.00 O ATOM 664 CG2 THR A 46 -3.769 -0.001 2.210 1.00 0.00 C ATOM 0 H THR A 46 -5.993 0.353 -0.957 1.00 0.00 H new ATOM 0 HA THR A 46 -3.911 2.073 -0.051 1.00 0.00 H new ATOM 0 HB THR A 46 -5.389 -0.378 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.448 1.090 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.286 -0.361 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.179 -0.811 1.781 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.110 0.823 2.483 1.00 0.00 H new ATOM 672 N GLY A 47 -3.023 -1.023 -0.673 1.00 0.00 N ATOM 673 CA GLY A 47 -1.861 -1.853 -0.890 1.00 0.00 C ATOM 674 C GLY A 47 -1.174 -1.695 -2.243 1.00 0.00 C ATOM 675 O GLY A 47 0.015 -1.976 -2.355 1.00 0.00 O ATOM 0 H GLY A 47 -3.918 -1.506 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.133 -1.638 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.156 -2.896 -0.773 1.00 0.00 H new ATOM 679 N MET A 48 -1.888 -1.256 -3.283 1.00 0.00 N ATOM 680 CA MET A 48 -1.245 -1.093 -4.590 1.00 0.00 C ATOM 681 C MET A 48 -0.162 -0.037 -4.493 1.00 0.00 C ATOM 682 O MET A 48 0.969 -0.244 -4.935 1.00 0.00 O ATOM 683 CB MET A 48 -2.244 -0.705 -5.679 1.00 0.00 C ATOM 684 CG MET A 48 -3.031 -1.884 -6.231 1.00 0.00 C ATOM 685 SD MET A 48 -2.105 -2.822 -7.461 1.00 0.00 S ATOM 686 CE MET A 48 -2.945 -4.402 -7.384 1.00 0.00 C ATOM 0 H MET A 48 -2.878 -1.014 -3.251 1.00 0.00 H new ATOM 0 HA MET A 48 -0.812 -2.054 -4.868 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.941 0.030 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.709 -0.222 -6.496 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.311 -2.545 -5.411 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.957 -1.521 -6.678 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.486 -5.093 -8.091 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.865 -4.808 -6.376 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.996 -4.268 -7.639 1.00 0.00 H new ATOM 696 N LEU A 49 -0.511 1.091 -3.886 1.00 0.00 N ATOM 697 CA LEU A 49 0.436 2.176 -3.699 1.00 0.00 C ATOM 698 C LEU A 49 1.603 1.722 -2.829 1.00 0.00 C ATOM 699 O LEU A 49 2.650 2.368 -2.793 1.00 0.00 O ATOM 700 CB LEU A 49 -0.247 3.393 -3.075 1.00 0.00 C ATOM 701 CG LEU A 49 -0.983 4.305 -4.061 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.156 4.528 -5.318 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.342 3.721 -4.417 1.00 0.00 C ATOM 0 H LEU A 49 -1.443 1.275 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 49 0.820 2.463 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.958 3.046 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.505 3.983 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.135 5.270 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.701 5.179 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.792 4.995 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.034 3.571 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.850 4.383 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.208 2.741 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.943 3.620 -3.513 1.00 0.00 H new ATOM 715 N LEU A 50 1.411 0.612 -2.118 1.00 0.00 N ATOM 716 CA LEU A 50 2.439 0.081 -1.238 1.00 0.00 C ATOM 717 C LEU A 50 3.750 -0.169 -1.995 1.00 0.00 C ATOM 718 O LEU A 50 4.816 -0.265 -1.390 1.00 0.00 O ATOM 719 CB LEU A 50 1.958 -1.209 -0.587 1.00 0.00 C ATOM 720 CG LEU A 50 1.200 -0.997 0.715 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.675 -2.314 1.275 1.00 0.00 C ATOM 722 CD2 LEU A 50 2.106 -0.299 1.722 1.00 0.00 C ATOM 0 H LEU A 50 0.550 0.065 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 50 2.633 0.824 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.315 -1.740 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.818 -1.850 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 50 0.334 -0.366 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.139 -2.126 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.001 -2.773 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.511 -2.986 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.564 -0.147 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.985 -0.916 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.419 0.666 1.323 1.00 0.00 H new ATOM 734 N GLU A 51 3.673 -0.265 -3.320 1.00 0.00 N ATOM 735 CA GLU A 51 4.869 -0.486 -4.133 1.00 0.00 C ATOM 736 C GLU A 51 4.951 0.501 -5.298 1.00 0.00 C ATOM 737 O GLU A 51 5.969 0.573 -5.984 1.00 0.00 O ATOM 738 CB GLU A 51 4.917 -1.921 -4.665 1.00 0.00 C ATOM 739 CG GLU A 51 3.591 -2.427 -5.204 1.00 0.00 C ATOM 740 CD GLU A 51 3.447 -2.214 -6.698 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.475 -1.976 -7.367 1.00 0.00 O ATOM 742 OE2 GLU A 51 2.306 -2.284 -7.200 1.00 0.00 O ATOM 0 H GLU A 51 2.805 -0.194 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 51 5.729 -0.321 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.664 -1.979 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.248 -2.583 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.495 -3.490 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.776 -1.919 -4.688 1.00 0.00 H new ATOM 749 N MET A 52 3.882 1.264 -5.518 1.00 0.00 N ATOM 750 CA MET A 52 3.858 2.241 -6.599 1.00 0.00 C ATOM 751 C MET A 52 4.795 3.404 -6.295 1.00 0.00 C ATOM 752 O MET A 52 5.843 3.550 -6.925 1.00 0.00 O ATOM 753 CB MET A 52 2.435 2.758 -6.820 1.00 0.00 C ATOM 754 CG MET A 52 1.438 1.665 -7.168 1.00 0.00 C ATOM 755 SD MET A 52 1.146 1.532 -8.943 1.00 0.00 S ATOM 756 CE MET A 52 -0.310 0.490 -8.970 1.00 0.00 C ATOM 0 H MET A 52 3.026 1.223 -4.964 1.00 0.00 H new ATOM 0 HA MET A 52 4.199 1.749 -7.510 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.100 3.271 -5.918 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.446 3.497 -7.621 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.805 0.710 -6.791 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.494 1.865 -6.662 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.614 0.316 -10.002 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.084 -0.464 -8.493 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.120 0.982 -8.431 1.00 0.00 H new ATOM 766 N ASP A 53 4.415 4.228 -5.323 1.00 0.00 N ATOM 767 CA ASP A 53 5.229 5.377 -4.936 1.00 0.00 C ATOM 768 C ASP A 53 5.641 5.282 -3.471 1.00 0.00 C ATOM 769 O ASP A 53 4.831 4.943 -2.610 1.00 0.00 O ATOM 770 CB ASP A 53 4.463 6.677 -5.179 1.00 0.00 C ATOM 771 CG ASP A 53 5.383 7.840 -5.497 1.00 0.00 C ATOM 772 OD1 ASP A 53 6.566 7.788 -5.098 1.00 0.00 O ATOM 773 OD2 ASP A 53 4.921 8.803 -6.145 1.00 0.00 O ATOM 0 H ASP A 53 3.552 4.123 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 53 6.130 5.375 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.764 6.535 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.871 6.917 -4.296 1.00 0.00 H new ATOM 778 N GLN A 54 6.907 5.587 -3.195 1.00 0.00 N ATOM 779 CA GLN A 54 7.428 5.538 -1.832 1.00 0.00 C ATOM 780 C GLN A 54 6.636 6.470 -0.917 1.00 0.00 C ATOM 781 O GLN A 54 6.398 6.165 0.250 1.00 0.00 O ATOM 782 CB GLN A 54 8.909 5.919 -1.814 1.00 0.00 C ATOM 783 CG GLN A 54 9.752 5.044 -0.901 1.00 0.00 C ATOM 784 CD GLN A 54 10.100 5.731 0.405 1.00 0.00 C ATOM 785 OE1 GLN A 54 9.218 6.119 1.170 1.00 0.00 O ATOM 786 NE2 GLN A 54 11.393 5.883 0.666 1.00 0.00 N ATOM 0 H GLN A 54 7.590 5.871 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 54 7.322 4.518 -1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.304 5.857 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.004 6.958 -1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.213 4.121 -0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.671 4.766 -1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.090 5.546 0.002 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.689 6.337 1.530 1.00 0.00 H new ATOM 795 N THR A 55 6.228 7.604 -1.465 1.00 0.00 N ATOM 796 CA THR A 55 5.451 8.585 -0.721 1.00 0.00 C ATOM 797 C THR A 55 4.037 8.070 -0.468 1.00 0.00 C ATOM 798 O THR A 55 3.487 8.241 0.620 1.00 0.00 O ATOM 799 CB THR A 55 5.398 9.912 -1.481 1.00 0.00 C ATOM 800 OG1 THR A 55 4.609 10.859 -0.783 1.00 0.00 O ATOM 801 CG2 THR A 55 4.830 9.784 -2.878 1.00 0.00 C ATOM 0 H THR A 55 6.424 7.870 -2.430 1.00 0.00 H new ATOM 0 HA THR A 55 5.939 8.749 0.240 1.00 0.00 H new ATOM 0 HB THR A 55 6.435 10.239 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.589 11.701 -1.284 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.822 10.762 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.446 9.099 -3.460 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.812 9.398 -2.823 1.00 0.00 H new ATOM 809 N GLU A 56 3.452 7.442 -1.487 1.00 0.00 N ATOM 810 CA GLU A 56 2.101 6.905 -1.382 1.00 0.00 C ATOM 811 C GLU A 56 2.069 5.664 -0.500 1.00 0.00 C ATOM 812 O GLU A 56 1.190 5.520 0.343 1.00 0.00 O ATOM 813 CB GLU A 56 1.541 6.580 -2.769 1.00 0.00 C ATOM 814 CG GLU A 56 1.134 7.812 -3.564 1.00 0.00 C ATOM 815 CD GLU A 56 1.657 7.790 -4.987 1.00 0.00 C ATOM 816 OE1 GLU A 56 1.191 6.944 -5.778 1.00 0.00 O ATOM 817 OE2 GLU A 56 2.534 8.618 -5.309 1.00 0.00 O ATOM 0 H GLU A 56 3.895 7.294 -2.394 1.00 0.00 H new ATOM 0 HA GLU A 56 1.475 7.668 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.290 6.024 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.676 5.927 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.047 7.885 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.505 8.704 -3.059 1.00 0.00 H new ATOM 824 N VAL A 57 3.037 4.768 -0.686 1.00 0.00 N ATOM 825 CA VAL A 57 3.102 3.549 0.117 1.00 0.00 C ATOM 826 C VAL A 57 3.172 3.898 1.597 1.00 0.00 C ATOM 827 O VAL A 57 2.458 3.327 2.421 1.00 0.00 O ATOM 828 CB VAL A 57 4.341 2.691 -0.244 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.570 3.565 -0.384 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.576 1.599 0.797 1.00 0.00 C ATOM 0 H VAL A 57 3.780 4.862 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 57 2.200 2.975 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 57 4.148 2.207 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.430 2.945 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.406 4.299 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.759 4.080 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.452 1.013 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.741 2.056 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.703 0.948 0.844 1.00 0.00 H new ATOM 840 N LEU A 58 4.040 4.844 1.919 1.00 0.00 N ATOM 841 CA LEU A 58 4.219 5.286 3.287 1.00 0.00 C ATOM 842 C LEU A 58 2.947 5.945 3.807 1.00 0.00 C ATOM 843 O LEU A 58 2.505 5.675 4.921 1.00 0.00 O ATOM 844 CB LEU A 58 5.402 6.261 3.356 1.00 0.00 C ATOM 845 CG LEU A 58 5.465 7.140 4.611 1.00 0.00 C ATOM 846 CD1 LEU A 58 6.783 6.934 5.342 1.00 0.00 C ATOM 847 CD2 LEU A 58 5.279 8.606 4.248 1.00 0.00 C ATOM 0 H LEU A 58 4.635 5.322 1.243 1.00 0.00 H new ATOM 0 HA LEU A 58 4.431 4.423 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.326 5.687 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.366 6.910 2.481 1.00 0.00 H new ATOM 0 HG LEU A 58 4.653 6.846 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.809 7.566 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.876 5.889 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.610 7.199 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.327 9.214 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.068 8.914 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.309 8.742 3.770 1.00 0.00 H new ATOM 859 N HIS A 59 2.380 6.823 2.992 1.00 0.00 N ATOM 860 CA HIS A 59 1.171 7.554 3.355 1.00 0.00 C ATOM 861 C HIS A 59 -0.085 6.676 3.390 1.00 0.00 C ATOM 862 O HIS A 59 -0.892 6.785 4.313 1.00 0.00 O ATOM 863 CB HIS A 59 0.959 8.712 2.377 1.00 0.00 C ATOM 864 CG HIS A 59 1.613 9.987 2.810 1.00 0.00 C ATOM 865 ND1 HIS A 59 2.981 10.156 2.849 1.00 0.00 N ATOM 866 CD2 HIS A 59 1.081 11.163 3.223 1.00 0.00 C ATOM 867 CE1 HIS A 59 3.263 11.376 3.267 1.00 0.00 C ATOM 868 NE2 HIS A 59 2.128 12.008 3.501 1.00 0.00 N ATOM 0 H HIS A 59 2.741 7.049 2.065 1.00 0.00 H new ATOM 0 HA HIS A 59 1.322 7.926 4.368 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.348 8.427 1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.111 8.884 2.257 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.030 11.393 3.316 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.253 11.787 3.396 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.042 12.968 3.834 1.00 0.00 H new ATOM 876 N LEU A 60 -0.284 5.855 2.359 1.00 0.00 N ATOM 877 CA LEU A 60 -1.490 5.029 2.271 1.00 0.00 C ATOM 878 C LEU A 60 -1.616 4.002 3.393 1.00 0.00 C ATOM 879 O LEU A 60 -2.692 3.843 3.949 1.00 0.00 O ATOM 880 CB LEU A 60 -1.552 4.311 0.919 1.00 0.00 C ATOM 881 CG LEU A 60 -2.440 4.980 -0.131 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.882 5.060 0.353 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.905 6.366 -0.467 1.00 0.00 C ATOM 0 H LEU A 60 0.366 5.744 1.581 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.327 5.719 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.541 4.232 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.911 3.294 1.081 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.423 4.373 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.496 5.539 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.258 4.055 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.925 5.643 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.546 6.832 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.894 6.980 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.892 6.280 -0.860 1.00 0.00 H new ATOM 895 N LEU A 61 -0.536 3.309 3.733 1.00 0.00 N ATOM 896 CA LEU A 61 -0.598 2.303 4.795 1.00 0.00 C ATOM 897 C LEU A 61 -0.176 2.895 6.140 1.00 0.00 C ATOM 898 O LEU A 61 0.307 2.180 7.015 1.00 0.00 O ATOM 899 CB LEU A 61 0.265 1.088 4.435 1.00 0.00 C ATOM 900 CG LEU A 61 -0.347 0.143 3.383 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.479 -0.701 3.959 1.00 0.00 C ATOM 902 CD2 LEU A 61 -0.839 0.937 2.189 1.00 0.00 C ATOM 0 H LEU A 61 0.381 3.419 3.299 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.632 1.972 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.228 1.442 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.460 0.518 5.343 1.00 0.00 H new ATOM 0 HG LEU A 61 0.439 -0.542 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.880 -1.351 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.098 -1.309 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.269 -0.047 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.269 0.258 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.598 1.649 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.004 1.476 1.741 1.00 0.00 H new ATOM 914 N GLU A 62 -0.369 4.207 6.302 1.00 0.00 N ATOM 915 CA GLU A 62 -0.012 4.884 7.549 1.00 0.00 C ATOM 916 C GLU A 62 -0.948 6.058 7.845 1.00 0.00 C ATOM 917 O GLU A 62 -1.527 6.138 8.927 1.00 0.00 O ATOM 918 CB GLU A 62 1.431 5.395 7.499 1.00 0.00 C ATOM 919 CG GLU A 62 2.470 4.306 7.287 1.00 0.00 C ATOM 920 CD GLU A 62 2.821 3.581 8.573 1.00 0.00 C ATOM 921 OE1 GLU A 62 1.902 3.319 9.377 1.00 0.00 O ATOM 922 OE2 GLU A 62 4.015 3.274 8.774 1.00 0.00 O ATOM 0 H GLU A 62 -0.768 4.817 5.589 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.112 4.148 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.518 6.126 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.652 5.917 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.095 3.587 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.373 4.747 6.864 1.00 0.00 H new ATOM 929 N SER A 63 -1.075 6.979 6.889 1.00 0.00 N ATOM 930 CA SER A 63 -1.923 8.154 7.070 1.00 0.00 C ATOM 931 C SER A 63 -3.370 7.868 6.684 1.00 0.00 C ATOM 932 O SER A 63 -3.635 7.050 5.807 1.00 0.00 O ATOM 933 CB SER A 63 -1.388 9.319 6.235 1.00 0.00 C ATOM 934 OG SER A 63 0.016 9.447 6.377 1.00 0.00 O ATOM 0 H SER A 63 -0.603 6.933 5.986 1.00 0.00 H new ATOM 0 HA SER A 63 -1.902 8.418 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.638 9.163 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.874 10.245 6.544 1.00 0.00 H new ATOM 0 HG SER A 63 0.333 10.197 5.832 1.00 0.00 H new ATOM 940 N PRO A 64 -4.330 8.553 7.337 1.00 0.00 N ATOM 941 CA PRO A 64 -5.757 8.382 7.060 1.00 0.00 C ATOM 942 C PRO A 64 -6.207 9.190 5.846 1.00 0.00 C ATOM 943 O PRO A 64 -7.146 8.813 5.146 1.00 0.00 O ATOM 944 CB PRO A 64 -6.412 8.917 8.330 1.00 0.00 C ATOM 945 CG PRO A 64 -5.483 9.982 8.805 1.00 0.00 C ATOM 946 CD PRO A 64 -4.095 9.553 8.397 1.00 0.00 C ATOM 0 HA PRO A 64 -6.017 7.350 6.826 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.405 9.318 8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.532 8.132 9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.737 10.945 8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.550 10.101 9.886 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.509 10.395 8.029 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.546 9.125 9.236 1.00 0.00 H new ATOM 954 N ASP A 65 -5.523 10.303 5.603 1.00 0.00 N ATOM 955 CA ASP A 65 -5.837 11.168 4.477 1.00 0.00 C ATOM 956 C ASP A 65 -5.289 10.582 3.179 1.00 0.00 C ATOM 957 O ASP A 65 -5.754 10.907 2.087 1.00 0.00 O ATOM 958 CB ASP A 65 -5.258 12.566 4.717 1.00 0.00 C ATOM 959 CG ASP A 65 -3.803 12.689 4.298 1.00 0.00 C ATOM 960 OD1 ASP A 65 -3.027 11.747 4.561 1.00 0.00 O ATOM 961 OD2 ASP A 65 -3.441 13.729 3.707 1.00 0.00 O ATOM 0 H ASP A 65 -4.744 10.627 6.176 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.921 11.243 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.851 13.297 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.347 12.813 5.775 1.00 0.00 H new ATOM 966 N ALA A 66 -4.291 9.721 3.319 1.00 0.00 N ATOM 967 CA ALA A 66 -3.655 9.082 2.175 1.00 0.00 C ATOM 968 C ALA A 66 -4.637 8.192 1.417 1.00 0.00 C ATOM 969 O ALA A 66 -4.585 8.094 0.192 1.00 0.00 O ATOM 970 CB ALA A 66 -2.463 8.266 2.643 1.00 0.00 C ATOM 0 H ALA A 66 -3.902 9.447 4.221 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.318 9.862 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.989 7.789 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.745 8.921 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.798 7.501 3.344 1.00 0.00 H new ATOM 976 N LEU A 67 -5.529 7.545 2.159 1.00 0.00 N ATOM 977 CA LEU A 67 -6.525 6.656 1.573 1.00 0.00 C ATOM 978 C LEU A 67 -7.443 7.398 0.606 1.00 0.00 C ATOM 979 O LEU A 67 -7.717 6.923 -0.495 1.00 0.00 O ATOM 980 CB LEU A 67 -7.355 6.011 2.685 1.00 0.00 C ATOM 981 CG LEU A 67 -6.566 5.117 3.645 1.00 0.00 C ATOM 982 CD1 LEU A 67 -5.776 5.948 4.637 1.00 0.00 C ATOM 983 CD2 LEU A 67 -7.497 4.168 4.379 1.00 0.00 C ATOM 0 H LEU A 67 -5.582 7.621 3.175 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.999 5.886 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.838 6.800 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.148 5.418 2.229 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.863 4.530 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.225 5.288 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.075 6.587 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.459 6.567 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.917 3.541 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.226 4.743 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.017 3.538 3.657 1.00 0.00 H new ATOM 995 N LYS A 68 -7.914 8.562 1.027 1.00 0.00 N ATOM 996 CA LYS A 68 -8.809 9.379 0.211 1.00 0.00 C ATOM 997 C LYS A 68 -8.195 9.715 -1.147 1.00 0.00 C ATOM 998 O LYS A 68 -8.898 9.825 -2.150 1.00 0.00 O ATOM 999 CB LYS A 68 -9.163 10.666 0.951 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.339 10.517 1.902 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.618 11.076 1.301 1.00 0.00 C ATOM 1002 CE LYS A 68 -12.730 11.159 2.334 1.00 0.00 C ATOM 1003 NZ LYS A 68 -14.052 10.790 1.759 1.00 0.00 N ATOM 0 H LYS A 68 -7.691 8.967 1.936 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.713 8.797 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.292 11.003 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.392 11.443 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.480 9.464 2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.120 11.033 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.426 12.068 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.937 10.445 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.500 10.497 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.778 12.172 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.783 10.860 2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.284 11.437 0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.014 9.815 1.400 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.886 9.917 -1.155 1.00 0.00 N ATOM 1018 CA ALA A 69 -6.160 10.290 -2.366 1.00 0.00 C ATOM 1019 C ALA A 69 -6.164 9.214 -3.450 1.00 0.00 C ATOM 1020 O ALA A 69 -6.491 9.486 -4.605 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.726 10.547 -1.989 1.00 0.00 C ATOM 0 H ALA A 69 -6.296 9.828 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.663 11.166 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.161 10.828 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.681 11.356 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.296 9.644 -1.556 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.763 8.006 -3.080 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.681 6.904 -4.032 1.00 0.00 C ATOM 1029 C LYS A 70 -7.041 6.293 -4.302 1.00 0.00 C ATOM 1030 O LYS A 70 -7.331 5.871 -5.419 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.719 5.835 -3.521 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.383 6.395 -3.064 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.709 7.198 -4.165 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.917 8.693 -3.973 1.00 0.00 C ATOM 1035 NZ LYS A 70 -1.852 9.494 -4.637 1.00 0.00 N ATOM 0 H LYS A 70 -5.489 7.763 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.305 7.308 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.185 5.304 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.547 5.104 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.533 7.029 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.731 5.578 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.642 6.977 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.108 6.896 -5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.889 8.978 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.933 8.923 -2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.354 10.067 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.176 8.855 -5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.281 10.121 -5.348 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.865 6.231 -3.272 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.196 5.644 -3.414 1.00 0.00 C ATOM 1051 C VAL A 71 -10.007 6.349 -4.498 1.00 0.00 C ATOM 1052 O VAL A 71 -10.605 5.700 -5.354 1.00 0.00 O ATOM 1053 CB VAL A 71 -9.995 5.667 -2.096 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.308 4.827 -1.029 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.202 7.093 -1.616 1.00 0.00 C ATOM 0 H VAL A 71 -7.645 6.574 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.032 4.605 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.975 5.230 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.891 4.860 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.229 3.796 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.310 5.223 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.768 7.085 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.234 7.565 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.753 7.655 -2.370 1.00 0.00 H new ATOM 1065 N ALA A 72 -10.030 7.677 -4.456 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.779 8.454 -5.436 1.00 0.00 C ATOM 1067 C ALA A 72 -10.283 8.194 -6.855 1.00 0.00 C ATOM 1068 O ALA A 72 -11.077 7.989 -7.772 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.687 9.938 -5.109 1.00 0.00 C ATOM 0 H ALA A 72 -9.541 8.236 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.821 8.139 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.250 10.509 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.102 10.118 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.643 10.251 -5.128 1.00 0.00 H new ATOM 1075 N GLU A 73 -8.965 8.209 -7.029 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.364 7.979 -8.338 1.00 0.00 C ATOM 1077 C GLU A 73 -8.465 6.513 -8.752 1.00 0.00 C ATOM 1078 O GLU A 73 -8.889 6.200 -9.865 1.00 0.00 O ATOM 1079 CB GLU A 73 -6.898 8.416 -8.329 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.696 9.857 -7.890 1.00 0.00 C ATOM 1081 CD GLU A 73 -7.275 10.854 -8.875 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -7.466 10.481 -10.052 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -7.537 12.005 -8.471 1.00 0.00 O ATOM 0 H GLU A 73 -8.293 8.378 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.916 8.574 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.336 7.760 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.483 8.288 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.160 10.004 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.630 10.050 -7.768 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.058 5.619 -7.857 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.087 4.187 -8.134 1.00 0.00 C ATOM 1092 C ALA A 74 -9.510 3.677 -8.344 1.00 0.00 C ATOM 1093 O ALA A 74 -9.800 3.029 -9.349 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.410 3.420 -7.008 1.00 0.00 C ATOM 0 H ALA A 74 -7.703 5.861 -6.932 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.540 4.019 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.438 2.353 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.373 3.745 -6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.933 3.612 -6.071 1.00 0.00 H new ATOM 1100 N MET A 75 -10.394 3.965 -7.394 1.00 0.00 N ATOM 1101 CA MET A 75 -11.778 3.527 -7.486 1.00 0.00 C ATOM 1102 C MET A 75 -12.444 4.071 -8.746 1.00 0.00 C ATOM 1103 O MET A 75 -13.328 3.437 -9.319 1.00 0.00 O ATOM 1104 CB MET A 75 -12.552 3.977 -6.249 1.00 0.00 C ATOM 1105 CG MET A 75 -12.010 3.406 -4.949 1.00 0.00 C ATOM 1106 SD MET A 75 -12.976 2.008 -4.346 1.00 0.00 S ATOM 1107 CE MET A 75 -14.448 2.842 -3.758 1.00 0.00 C ATOM 0 H MET A 75 -10.175 4.499 -6.553 1.00 0.00 H new ATOM 0 HA MET A 75 -11.787 2.438 -7.540 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.531 5.065 -6.194 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.596 3.683 -6.357 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.977 3.091 -5.098 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.998 4.188 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 75 -15.328 2.253 -4.017 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.393 2.957 -2.675 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.520 3.825 -4.224 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.016 5.251 -9.171 1.00 0.00 N ATOM 1118 CA GLU A 76 -12.576 5.880 -10.359 1.00 0.00 C ATOM 1119 C GLU A 76 -12.417 4.987 -11.588 1.00 0.00 C ATOM 1120 O GLU A 76 -13.354 4.816 -12.365 1.00 0.00 O ATOM 1121 CB GLU A 76 -11.907 7.233 -10.608 1.00 0.00 C ATOM 1122 CG GLU A 76 -12.654 8.403 -9.988 1.00 0.00 C ATOM 1123 CD GLU A 76 -13.578 9.093 -10.972 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -14.683 8.566 -11.218 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -13.196 10.160 -11.498 1.00 0.00 O ATOM 0 H GLU A 76 -11.283 5.792 -8.712 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.641 6.032 -10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.893 7.207 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.822 7.395 -11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.235 8.048 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.934 9.126 -9.603 1.00 0.00 H new ATOM 1132 N VAL A 77 -11.221 4.435 -11.768 1.00 0.00 N ATOM 1133 CA VAL A 77 -10.941 3.577 -12.916 1.00 0.00 C ATOM 1134 C VAL A 77 -11.556 2.184 -12.775 1.00 0.00 C ATOM 1135 O VAL A 77 -11.986 1.591 -13.763 1.00 0.00 O ATOM 1136 CB VAL A 77 -9.425 3.445 -13.164 1.00 0.00 C ATOM 1137 CG1 VAL A 77 -8.732 2.806 -11.970 1.00 0.00 C ATOM 1138 CG2 VAL A 77 -9.156 2.650 -14.434 1.00 0.00 C ATOM 0 H VAL A 77 -10.431 4.566 -11.136 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.406 4.065 -13.773 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.015 4.446 -13.294 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.664 2.724 -12.170 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.889 3.423 -11.085 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.146 1.812 -11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.080 2.568 -14.591 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.585 1.653 -14.337 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.609 3.159 -15.285 1.00 0.00 H new ATOM 1148 N LEU A 78 -11.585 1.651 -11.560 1.00 0.00 N ATOM 1149 CA LEU A 78 -12.142 0.318 -11.342 1.00 0.00 C ATOM 1150 C LEU A 78 -13.633 0.380 -11.021 1.00 0.00 C ATOM 1151 O LEU A 78 -14.457 -0.159 -11.757 1.00 0.00 O ATOM 1152 CB LEU A 78 -11.391 -0.417 -10.226 1.00 0.00 C ATOM 1153 CG LEU A 78 -11.061 0.420 -8.984 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -11.833 -0.088 -7.776 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -9.564 0.396 -8.707 1.00 0.00 C ATOM 0 H LEU A 78 -11.235 2.112 -10.720 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.018 -0.239 -12.271 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.988 -1.275 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.460 -0.808 -10.636 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.361 1.450 -9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.586 0.518 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.903 -0.020 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.565 -1.127 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.348 0.995 -7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.242 -0.631 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.029 0.807 -9.563 1.00 0.00 H new ATOM 1167 N ARG A 79 -13.972 1.032 -9.916 1.00 0.00 N ATOM 1168 CA ARG A 79 -15.337 1.162 -9.484 1.00 0.00 C ATOM 1169 C ARG A 79 -16.183 1.936 -10.499 1.00 0.00 C ATOM 1170 O ARG A 79 -17.381 1.684 -10.632 1.00 0.00 O ATOM 1171 CB ARG A 79 -15.314 1.835 -8.108 1.00 0.00 C ATOM 1172 CG ARG A 79 -16.262 3.009 -7.937 1.00 0.00 C ATOM 1173 CD ARG A 79 -17.207 2.807 -6.762 1.00 0.00 C ATOM 1174 NE ARG A 79 -18.341 1.952 -7.110 1.00 0.00 N ATOM 1175 CZ ARG A 79 -18.431 0.660 -6.793 1.00 0.00 C ATOM 1176 NH1 ARG A 79 -17.458 0.059 -6.118 1.00 0.00 N ATOM 1177 NH2 ARG A 79 -19.502 -0.034 -7.153 1.00 0.00 N ATOM 0 H ARG A 79 -13.297 1.484 -9.299 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.809 0.183 -9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.552 1.086 -7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.299 2.178 -7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.686 3.922 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.842 3.144 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.661 2.363 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.574 3.775 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.113 2.371 -7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.631 0.586 -5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.537 -0.930 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.254 0.421 -7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -19.574 -1.023 -6.912 1.00 0.00 H new ATOM 1191 N SER A 80 -15.570 2.887 -11.201 1.00 0.00 N ATOM 1192 CA SER A 80 -16.300 3.690 -12.178 1.00 0.00 C ATOM 1193 C SER A 80 -15.925 3.320 -13.611 1.00 0.00 C ATOM 1194 O SER A 80 -16.798 3.145 -14.462 1.00 0.00 O ATOM 1195 CB SER A 80 -16.041 5.178 -11.937 1.00 0.00 C ATOM 1196 OG SER A 80 -17.252 5.913 -11.936 1.00 0.00 O ATOM 0 H SER A 80 -14.580 3.118 -11.113 1.00 0.00 H new ATOM 0 HA SER A 80 -17.362 3.480 -12.048 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.530 5.312 -10.983 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.378 5.565 -12.711 1.00 0.00 H new ATOM 0 HG SER A 80 -17.059 6.861 -11.778 1.00 0.00 H new ATOM 1202 N ALA A 81 -14.628 3.212 -13.879 1.00 0.00 N ATOM 1203 CA ALA A 81 -14.150 2.873 -15.215 1.00 0.00 C ATOM 1204 C ALA A 81 -14.456 3.993 -16.201 1.00 0.00 C ATOM 1205 O ALA A 81 -14.717 3.747 -17.378 1.00 0.00 O ATOM 1206 CB ALA A 81 -14.769 1.564 -15.685 1.00 0.00 C ATOM 0 H ALA A 81 -13.890 3.354 -13.190 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.068 2.748 -15.168 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.402 1.326 -16.683 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -14.495 0.764 -14.997 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -15.854 1.664 -15.712 1.00 0.00 H new ATOM 1212 N GLN A 82 -14.421 5.228 -15.710 1.00 0.00 N ATOM 1213 CA GLN A 82 -14.692 6.393 -16.540 1.00 0.00 C ATOM 1214 C GLN A 82 -13.904 7.603 -16.045 1.00 0.00 C ATOM 1215 O GLN A 82 -14.481 8.603 -15.615 1.00 0.00 O ATOM 1216 CB GLN A 82 -16.192 6.699 -16.541 1.00 0.00 C ATOM 1217 CG GLN A 82 -16.901 6.263 -17.813 1.00 0.00 C ATOM 1218 CD GLN A 82 -16.259 6.833 -19.063 1.00 0.00 C ATOM 1219 OE1 GLN A 82 -15.418 6.190 -19.691 1.00 0.00 O ATOM 1220 NE2 GLN A 82 -16.654 8.046 -19.430 1.00 0.00 N ATOM 0 H GLN A 82 -14.206 5.446 -14.737 1.00 0.00 H new ATOM 0 HA GLN A 82 -14.375 6.174 -17.560 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -16.656 6.203 -15.688 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.336 7.771 -16.404 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.898 5.175 -17.871 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.944 6.577 -17.769 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.354 8.543 -18.879 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.257 8.481 -20.263 1.00 0.00 H new ATOM 1229 N GLN A 83 -12.580 7.504 -16.106 1.00 0.00 N ATOM 1230 CA GLN A 83 -11.709 8.588 -15.662 1.00 0.00 C ATOM 1231 C GLN A 83 -12.003 9.873 -16.429 1.00 0.00 C ATOM 1232 O GLN A 83 -11.991 9.890 -17.660 1.00 0.00 O ATOM 1233 CB GLN A 83 -10.242 8.196 -15.841 1.00 0.00 C ATOM 1234 CG GLN A 83 -9.632 7.544 -14.609 1.00 0.00 C ATOM 1235 CD GLN A 83 -8.266 8.106 -14.267 1.00 0.00 C ATOM 1236 OE1 GLN A 83 -8.150 9.227 -13.772 1.00 0.00 O ATOM 1237 NE2 GLN A 83 -7.223 7.326 -14.529 1.00 0.00 N ATOM 0 H GLN A 83 -12.086 6.684 -16.459 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.904 8.767 -14.605 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.158 7.510 -16.684 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -9.665 9.085 -16.095 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.301 7.684 -13.760 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.548 6.470 -14.775 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.367 6.403 -14.940 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.279 7.650 -14.319 1.00 0.00 H new ATOM 1246 N HIS A 84 -12.264 10.949 -15.692 1.00 0.00 N ATOM 1247 CA HIS A 84 -12.560 12.240 -16.302 1.00 0.00 C ATOM 1248 C HIS A 84 -11.606 13.314 -15.790 1.00 0.00 C ATOM 1249 O HIS A 84 -11.438 13.485 -14.582 1.00 0.00 O ATOM 1250 CB HIS A 84 -14.006 12.645 -16.010 1.00 0.00 C ATOM 1251 CG HIS A 84 -15.014 11.890 -16.820 1.00 0.00 C ATOM 1252 ND1 HIS A 84 -15.114 11.999 -18.190 1.00 0.00 N ATOM 1253 CD2 HIS A 84 -15.972 11.009 -16.446 1.00 0.00 C ATOM 1254 CE1 HIS A 84 -16.088 11.220 -18.625 1.00 0.00 C ATOM 1255 NE2 HIS A 84 -16.625 10.608 -17.587 1.00 0.00 N ATOM 0 H HIS A 84 -12.276 10.952 -14.672 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.427 12.145 -17.380 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -14.212 12.488 -14.951 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.122 13.711 -16.203 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -14.526 12.590 -18.778 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -16.184 10.682 -15.439 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -16.393 11.104 -19.655 1.00 0.00 H new ATOM 1263 N THR A 85 -10.984 14.036 -16.717 1.00 0.00 N ATOM 1264 CA THR A 85 -10.048 15.094 -16.358 1.00 0.00 C ATOM 1265 C THR A 85 -10.117 16.245 -17.358 1.00 0.00 C ATOM 1266 O THR A 85 -9.681 17.361 -17.006 1.00 0.00 O ATOM 1267 CB THR A 85 -8.622 14.543 -16.298 1.00 0.00 C ATOM 1268 OG1 THR A 85 -7.684 15.594 -16.145 1.00 0.00 O ATOM 1269 CG2 THR A 85 -8.233 13.754 -17.529 1.00 0.00 C ATOM 1270 OXT THR A 85 -10.607 16.019 -18.485 1.00 0.00 O ATOM 0 H THR A 85 -11.111 13.907 -17.721 1.00 0.00 H new ATOM 0 HA THR A 85 -10.327 15.473 -15.375 1.00 0.00 H new ATOM 0 HB THR A 85 -8.607 13.873 -15.438 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.778 15.221 -16.107 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.210 13.392 -17.421 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.908 12.906 -17.646 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.300 14.395 -18.408 1.00 0.00 H new TER 1278 THR A 85