USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 104 HIS : no HD1:sc= -0.15 K(o=-0.081,f=-4.1!) USER MOD Set 1.2: A 105 HIS : no HD1:sc= 0.0684 K(o=-0.081,f=-6.3!) USER MOD Set 2.1: A 11 ASN : amide:sc= -1.92! K(o=-4!,f=-4.7) USER MOD Set 2.2: A 84 LYS NZ :NH3+ -119:sc= -2.03 (180deg=-3.68!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.248 (180deg=-1.01) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.871 USER MOD Single : A 22 GLN : amide:sc= -0.577 K(o=-0.58,f=-5.4!) USER MOD Single : A 24 LYS NZ :NH3+ -130:sc= -0.453 (180deg=-1.77!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.12 USER MOD Single : A 34 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-5.1!) USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= -1.86 (180deg=-4.19!) USER MOD Single : A 43 THR OG1 : rot -45:sc= 1.09 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.359 F(o=-2.1,f=-0.36) USER MOD Single : A 52 ASN : amide:sc= -0.427 K(o=-0.43,f=-1.9!) USER MOD Single : A 53 SER OG : rot -26:sc= 0.769 USER MOD Single : A 54 HIS : no HD1:sc= -0.7 X(o=-0.7,f=-0.28) USER MOD Single : A 57 LYS NZ :NH3+ -159:sc=-0.00579 (180deg=-0.406) USER MOD Single : A 61 LYS NZ :NH3+ -143:sc= -0.277 (180deg=-0.75) USER MOD Single : A 62 GLN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.2) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.312) USER MOD Single : A 80 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.44) USER MOD Single : A 81 LYS NZ :NH3+ -126:sc= -7.06! (180deg=-12!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.417 F(o=-1.7!,f=-0.42) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.292 F(o=-2.3!,f=-0.29) USER MOD Single : A 89 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 90 GLN : amide:sc= -0.415 K(o=-0.42,f=-2.2!) USER MOD Single : A 100 ASN : amide:sc= -3.14 X(o=-3.1,f=-3.1!) USER MOD Single : A 103 HIS : no HD1:sc= -0.041 X(o=-0.041,f=-0.089) USER MOD Single : A 106 HIS :FLIP no HD1:sc= -1.79! C(o=-2.3!,f=-1.8!) USER MOD Single : A 107 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.086) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.129 1.160 15.548 1.00 0.00 N ATOM 2 CA MET A 1 18.346 1.972 15.271 1.00 0.00 C ATOM 3 C MET A 1 19.231 1.237 14.269 1.00 0.00 C ATOM 4 O MET A 1 20.073 1.847 13.608 1.00 0.00 O ATOM 5 CB MET A 1 19.116 2.202 16.576 1.00 0.00 C ATOM 6 CG MET A 1 18.266 3.037 17.536 1.00 0.00 C ATOM 7 SD MET A 1 18.116 4.724 16.894 1.00 0.00 S ATOM 8 CE MET A 1 17.010 5.362 18.177 1.00 0.00 C ATOM 0 H1 MET A 1 16.380 1.775 15.925 1.00 0.00 H new ATOM 0 H2 MET A 1 16.801 0.715 14.667 1.00 0.00 H new ATOM 0 H3 MET A 1 17.355 0.422 16.245 1.00 0.00 H new ATOM 0 HA MET A 1 18.055 2.935 14.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.367 1.246 17.035 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.056 2.713 16.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.278 2.590 17.648 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.723 3.052 18.525 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.783 6.409 17.974 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.086 4.784 18.181 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.495 5.278 19.150 1.00 0.00 H new ATOM 17 N ASP A 2 19.031 -0.075 14.161 1.00 0.00 N ATOM 18 CA ASP A 2 19.813 -0.888 13.236 1.00 0.00 C ATOM 19 C ASP A 2 19.069 -2.176 12.894 1.00 0.00 C ATOM 20 O ASP A 2 18.916 -3.061 13.738 1.00 0.00 O ATOM 21 CB ASP A 2 21.173 -1.230 13.852 1.00 0.00 C ATOM 22 CG ASP A 2 21.921 -2.219 12.962 1.00 0.00 C ATOM 23 OD1 ASP A 2 22.299 -1.835 11.867 1.00 0.00 O ATOM 24 OD2 ASP A 2 22.102 -3.348 13.388 1.00 0.00 O ATOM 0 H ASP A 2 18.338 -0.594 14.700 1.00 0.00 H new ATOM 0 HA ASP A 2 19.966 -0.314 12.322 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.763 -0.322 13.975 1.00 0.00 H new ATOM 0 HB3 ASP A 2 21.034 -1.657 14.845 1.00 0.00 H new ATOM 29 N GLY A 3 18.613 -2.274 11.650 1.00 0.00 N ATOM 30 CA GLY A 3 17.889 -3.457 11.197 1.00 0.00 C ATOM 31 C GLY A 3 16.990 -3.124 10.014 1.00 0.00 C ATOM 32 O GLY A 3 15.877 -3.640 9.905 1.00 0.00 O ATOM 0 H GLY A 3 18.731 -1.552 10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.597 -4.235 10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 3 17.288 -3.856 12.014 1.00 0.00 H new ATOM 36 N VAL A 4 17.481 -2.253 9.132 1.00 0.00 N ATOM 37 CA VAL A 4 16.720 -1.841 7.953 1.00 0.00 C ATOM 38 C VAL A 4 15.337 -1.337 8.361 1.00 0.00 C ATOM 39 O VAL A 4 14.331 -2.026 8.181 1.00 0.00 O ATOM 40 CB VAL A 4 16.587 -3.012 6.966 1.00 0.00 C ATOM 41 CG1 VAL A 4 16.010 -2.504 5.640 1.00 0.00 C ATOM 42 CG2 VAL A 4 17.967 -3.625 6.714 1.00 0.00 C ATOM 0 H VAL A 4 18.401 -1.820 9.212 1.00 0.00 H new ATOM 0 HA VAL A 4 17.257 -1.029 7.462 1.00 0.00 H new ATOM 0 HB VAL A 4 15.922 -3.766 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.916 -3.336 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 4 15.028 -2.065 5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 4 16.675 -1.750 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 4 17.874 -4.456 6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 4 18.630 -2.869 6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 4 18.381 -3.988 7.655 1.00 0.00 H new ATOM 52 N MET A 5 15.300 -0.126 8.912 1.00 0.00 N ATOM 53 CA MET A 5 14.042 0.476 9.346 1.00 0.00 C ATOM 54 C MET A 5 13.357 1.163 8.174 1.00 0.00 C ATOM 55 O MET A 5 13.234 2.390 8.148 1.00 0.00 O ATOM 56 CB MET A 5 14.308 1.515 10.436 1.00 0.00 C ATOM 57 CG MET A 5 13.215 1.441 11.507 1.00 0.00 C ATOM 58 SD MET A 5 13.421 2.800 12.685 1.00 0.00 S ATOM 59 CE MET A 5 11.827 2.618 13.527 1.00 0.00 C ATOM 0 H MET A 5 16.123 0.456 9.068 1.00 0.00 H new ATOM 0 HA MET A 5 13.399 -0.314 9.736 1.00 0.00 H new ATOM 0 HB2 MET A 5 15.284 1.339 10.888 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.334 2.514 10.000 1.00 0.00 H new ATOM 0 HG2 MET A 5 12.231 1.497 11.041 1.00 0.00 H new ATOM 0 HG3 MET A 5 13.267 0.485 12.028 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.740 3.372 14.309 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.019 2.747 12.807 1.00 0.00 H new ATOM 0 HE3 MET A 5 11.762 1.625 13.972 1.00 0.00 H new ATOM 69 N SER A 6 12.917 0.382 7.201 1.00 0.00 N ATOM 70 CA SER A 6 12.265 0.946 6.053 1.00 0.00 C ATOM 71 C SER A 6 10.804 0.526 6.012 1.00 0.00 C ATOM 72 O SER A 6 10.272 -0.022 6.977 1.00 0.00 O ATOM 73 CB SER A 6 12.979 0.497 4.776 1.00 0.00 C ATOM 74 OG SER A 6 14.383 0.650 4.946 1.00 0.00 O ATOM 0 H SER A 6 13.003 -0.634 7.191 1.00 0.00 H new ATOM 0 HA SER A 6 12.310 2.033 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.738 -0.543 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.637 1.089 3.927 1.00 0.00 H new ATOM 0 HG SER A 6 14.845 0.362 4.131 1.00 0.00 H new ATOM 80 N ALA A 7 10.183 0.796 4.878 1.00 0.00 N ATOM 81 CA ALA A 7 8.777 0.474 4.638 1.00 0.00 C ATOM 82 C ALA A 7 8.199 1.475 3.656 1.00 0.00 C ATOM 83 O ALA A 7 7.162 1.233 3.039 1.00 0.00 O ATOM 84 CB ALA A 7 7.965 0.527 5.930 1.00 0.00 C ATOM 0 H ALA A 7 10.640 1.249 4.087 1.00 0.00 H new ATOM 0 HA ALA A 7 8.723 -0.538 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.924 0.283 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.368 -0.193 6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.022 1.529 6.355 1.00 0.00 H new ATOM 90 N VAL A 8 8.882 2.610 3.523 1.00 0.00 N ATOM 91 CA VAL A 8 8.434 3.655 2.619 1.00 0.00 C ATOM 92 C VAL A 8 9.605 4.535 2.184 1.00 0.00 C ATOM 93 O VAL A 8 10.611 4.645 2.887 1.00 0.00 O ATOM 94 CB VAL A 8 7.352 4.509 3.304 1.00 0.00 C ATOM 95 CG1 VAL A 8 7.781 4.826 4.742 1.00 0.00 C ATOM 96 CG2 VAL A 8 7.146 5.823 2.538 1.00 0.00 C ATOM 0 H VAL A 8 9.742 2.824 4.028 1.00 0.00 H new ATOM 0 HA VAL A 8 8.011 3.188 1.730 1.00 0.00 H new ATOM 0 HB VAL A 8 6.417 3.949 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.014 5.431 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.913 3.896 5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.722 5.377 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.378 6.417 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.081 6.383 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.832 5.604 1.517 1.00 0.00 H new ATOM 106 N THR A 9 9.458 5.155 1.015 1.00 0.00 N ATOM 107 CA THR A 9 10.496 6.026 0.473 1.00 0.00 C ATOM 108 C THR A 9 9.866 7.283 -0.128 1.00 0.00 C ATOM 109 O THR A 9 8.785 7.225 -0.715 1.00 0.00 O ATOM 110 CB THR A 9 11.304 5.258 -0.585 1.00 0.00 C ATOM 111 OG1 THR A 9 12.462 4.705 0.025 1.00 0.00 O ATOM 112 CG2 THR A 9 11.725 6.192 -1.725 1.00 0.00 C ATOM 0 H THR A 9 8.630 5.070 0.426 1.00 0.00 H new ATOM 0 HA THR A 9 11.169 6.335 1.273 1.00 0.00 H new ATOM 0 HB THR A 9 10.682 4.464 -0.998 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.981 4.212 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.296 5.630 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.837 6.614 -2.196 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.342 6.998 -1.326 1.00 0.00 H new ATOM 120 N VAL A 10 10.548 8.417 0.031 1.00 0.00 N ATOM 121 CA VAL A 10 10.056 9.689 -0.487 1.00 0.00 C ATOM 122 C VAL A 10 10.966 10.200 -1.600 1.00 0.00 C ATOM 123 O VAL A 10 12.066 10.690 -1.344 1.00 0.00 O ATOM 124 CB VAL A 10 9.983 10.728 0.643 1.00 0.00 C ATOM 125 CG1 VAL A 10 8.740 10.471 1.498 1.00 0.00 C ATOM 126 CG2 VAL A 10 11.235 10.630 1.526 1.00 0.00 C ATOM 0 H VAL A 10 11.444 8.479 0.515 1.00 0.00 H new ATOM 0 HA VAL A 10 9.057 9.532 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 10 9.927 11.725 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.690 11.209 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.848 10.549 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.795 9.471 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.176 11.370 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.297 9.632 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.122 10.819 0.922 1.00 0.00 H new ATOM 136 N ASN A 11 10.495 10.080 -2.834 1.00 0.00 N ATOM 137 CA ASN A 11 11.264 10.531 -3.989 1.00 0.00 C ATOM 138 C ASN A 11 10.901 11.972 -4.339 1.00 0.00 C ATOM 139 O ASN A 11 10.434 12.731 -3.486 1.00 0.00 O ATOM 140 CB ASN A 11 10.978 9.625 -5.195 1.00 0.00 C ATOM 141 CG ASN A 11 10.894 8.166 -4.756 1.00 0.00 C ATOM 142 OD1 ASN A 11 11.872 7.608 -4.258 1.00 0.00 O ATOM 143 ND2 ASN A 11 9.777 7.510 -4.918 1.00 0.00 N ATOM 0 H ASN A 11 9.587 9.675 -3.062 1.00 0.00 H new ATOM 0 HA ASN A 11 12.324 10.481 -3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.043 9.923 -5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.764 9.742 -5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.713 6.533 -4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.968 7.974 -5.331 1.00 0.00 H new ATOM 150 N ASP A 12 11.101 12.334 -5.603 1.00 0.00 N ATOM 151 CA ASP A 12 10.776 13.673 -6.076 1.00 0.00 C ATOM 152 C ASP A 12 9.538 13.598 -6.955 1.00 0.00 C ATOM 153 O ASP A 12 9.126 14.583 -7.568 1.00 0.00 O ATOM 154 CB ASP A 12 11.950 14.252 -6.873 1.00 0.00 C ATOM 155 CG ASP A 12 13.151 14.483 -5.955 1.00 0.00 C ATOM 156 OD1 ASP A 12 12.939 14.817 -4.799 1.00 0.00 O ATOM 157 OD2 ASP A 12 14.268 14.323 -6.420 1.00 0.00 O ATOM 0 H ASP A 12 11.487 11.717 -6.318 1.00 0.00 H new ATOM 0 HA ASP A 12 10.583 14.324 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.224 13.569 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.654 15.192 -7.339 1.00 0.00 H new ATOM 162 N ASP A 13 8.965 12.400 -7.013 1.00 0.00 N ATOM 163 CA ASP A 13 7.780 12.149 -7.820 1.00 0.00 C ATOM 164 C ASP A 13 6.582 11.826 -6.930 1.00 0.00 C ATOM 165 O ASP A 13 5.432 11.980 -7.343 1.00 0.00 O ATOM 166 CB ASP A 13 8.065 10.973 -8.758 1.00 0.00 C ATOM 167 CG ASP A 13 6.868 10.710 -9.670 1.00 0.00 C ATOM 168 OD1 ASP A 13 6.381 11.656 -10.267 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.462 9.565 -9.762 1.00 0.00 O ATOM 0 H ASP A 13 9.307 11.583 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 13 7.542 13.041 -8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.948 11.187 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.287 10.080 -8.173 1.00 0.00 H new ATOM 174 N GLY A 14 6.862 11.382 -5.707 1.00 0.00 N ATOM 175 CA GLY A 14 5.805 11.041 -4.762 1.00 0.00 C ATOM 176 C GLY A 14 6.356 10.218 -3.603 1.00 0.00 C ATOM 177 O GLY A 14 7.285 10.645 -2.913 1.00 0.00 O ATOM 0 H GLY A 14 7.808 11.251 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.345 11.953 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.023 10.479 -5.272 1.00 0.00 H new ATOM 181 N LEU A 15 5.774 9.040 -3.392 1.00 0.00 N ATOM 182 CA LEU A 15 6.211 8.167 -2.303 1.00 0.00 C ATOM 183 C LEU A 15 5.969 6.698 -2.636 1.00 0.00 C ATOM 184 O LEU A 15 5.072 6.363 -3.410 1.00 0.00 O ATOM 185 CB LEU A 15 5.459 8.512 -1.013 1.00 0.00 C ATOM 186 CG LEU A 15 4.006 8.889 -1.333 1.00 0.00 C ATOM 187 CD1 LEU A 15 3.060 8.059 -0.460 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.789 10.378 -1.044 1.00 0.00 C ATOM 0 H LEU A 15 5.007 8.670 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 15 7.281 8.326 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.480 7.661 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.954 9.340 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 15 3.802 8.689 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.028 8.326 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.214 6.999 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.265 8.260 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.757 10.646 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.993 10.578 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.463 10.971 -1.663 1.00 0.00 H new ATOM 200 N VAL A 16 6.773 5.828 -2.024 1.00 0.00 N ATOM 201 CA VAL A 16 6.648 4.388 -2.233 1.00 0.00 C ATOM 202 C VAL A 16 6.131 3.719 -0.960 1.00 0.00 C ATOM 203 O VAL A 16 6.636 3.976 0.129 1.00 0.00 O ATOM 204 CB VAL A 16 8.009 3.797 -2.615 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.870 2.289 -2.850 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.516 4.468 -3.898 1.00 0.00 C ATOM 0 H VAL A 16 7.517 6.097 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 16 5.940 4.207 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 16 8.718 3.973 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.840 1.872 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.512 1.810 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.160 2.111 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.484 4.048 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.805 4.293 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.620 5.540 -3.731 1.00 0.00 H new ATOM 216 N LEU A 17 5.120 2.863 -1.102 1.00 0.00 N ATOM 217 CA LEU A 17 4.541 2.169 0.047 1.00 0.00 C ATOM 218 C LEU A 17 4.900 0.684 0.010 1.00 0.00 C ATOM 219 O LEU A 17 4.315 -0.091 -0.748 1.00 0.00 O ATOM 220 CB LEU A 17 3.017 2.350 0.039 1.00 0.00 C ATOM 221 CG LEU A 17 2.352 1.361 1.008 1.00 0.00 C ATOM 222 CD1 LEU A 17 3.024 1.436 2.384 1.00 0.00 C ATOM 223 CD2 LEU A 17 0.867 1.711 1.149 1.00 0.00 C ATOM 0 H LEU A 17 4.687 2.634 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 17 4.948 2.595 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.765 3.372 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.632 2.195 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 17 2.459 0.350 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.544 0.731 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.080 1.185 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.926 2.446 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.392 1.011 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.767 2.725 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.384 1.647 0.174 1.00 0.00 H new ATOM 235 N ARG A 18 5.869 0.307 0.841 1.00 0.00 N ATOM 236 CA ARG A 18 6.328 -1.078 0.919 1.00 0.00 C ATOM 237 C ARG A 18 5.783 -1.753 2.176 1.00 0.00 C ATOM 238 O ARG A 18 6.063 -1.314 3.293 1.00 0.00 O ATOM 239 CB ARG A 18 7.860 -1.093 0.942 1.00 0.00 C ATOM 240 CG ARG A 18 8.402 -1.308 -0.471 1.00 0.00 C ATOM 241 CD ARG A 18 9.916 -1.091 -0.466 1.00 0.00 C ATOM 242 NE ARG A 18 10.439 -1.147 -1.825 1.00 0.00 N ATOM 243 CZ ARG A 18 11.599 -0.579 -2.138 1.00 0.00 C ATOM 244 NH1 ARG A 18 12.715 -1.072 -1.671 1.00 0.00 N ATOM 245 NH2 ARG A 18 11.621 0.473 -2.909 1.00 0.00 N ATOM 0 H ARG A 18 6.354 0.945 1.473 1.00 0.00 H new ATOM 0 HA ARG A 18 5.964 -1.627 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.235 -0.152 1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.214 -1.886 1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.168 -2.316 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.925 -0.616 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.150 -0.125 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.397 -1.852 0.148 1.00 0.00 H new ATOM 0 HE ARG A 18 9.906 -1.630 -2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.696 -1.893 -1.066 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.605 -0.636 -1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.749 0.859 -3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.511 0.910 -3.150 1.00 0.00 H new ATOM 259 N LEU A 19 5.003 -2.821 1.990 1.00 0.00 N ATOM 260 CA LEU A 19 4.430 -3.540 3.128 1.00 0.00 C ATOM 261 C LEU A 19 4.278 -5.031 2.831 1.00 0.00 C ATOM 262 O LEU A 19 4.610 -5.502 1.742 1.00 0.00 O ATOM 263 CB LEU A 19 3.066 -2.942 3.510 1.00 0.00 C ATOM 264 CG LEU A 19 2.023 -3.218 2.418 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.249 -4.505 2.741 1.00 0.00 C ATOM 266 CD2 LEU A 19 1.038 -2.045 2.351 1.00 0.00 C ATOM 0 H LEU A 19 4.757 -3.202 1.076 1.00 0.00 H new ATOM 0 HA LEU A 19 5.119 -3.430 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.730 -3.367 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.165 -1.867 3.661 1.00 0.00 H new ATOM 0 HG LEU A 19 2.532 -3.335 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.512 -4.692 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.943 -5.344 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.742 -4.394 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.296 -2.237 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.538 -1.934 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.579 -1.129 2.115 1.00 0.00 H new ATOM 278 N TYR A 20 3.769 -5.757 3.824 1.00 0.00 N ATOM 279 CA TYR A 20 3.560 -7.196 3.712 1.00 0.00 C ATOM 280 C TYR A 20 2.063 -7.495 3.706 1.00 0.00 C ATOM 281 O TYR A 20 1.394 -7.391 4.736 1.00 0.00 O ATOM 282 CB TYR A 20 4.229 -7.891 4.903 1.00 0.00 C ATOM 283 CG TYR A 20 4.367 -9.374 4.658 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.292 -9.850 3.719 1.00 0.00 C ATOM 285 CD2 TYR A 20 3.590 -10.274 5.397 1.00 0.00 C ATOM 286 CE1 TYR A 20 5.433 -11.228 3.518 1.00 0.00 C ATOM 287 CE2 TYR A 20 3.735 -11.649 5.198 1.00 0.00 C ATOM 288 CZ TYR A 20 4.658 -12.127 4.259 1.00 0.00 C ATOM 289 OH TYR A 20 4.807 -13.485 4.068 1.00 0.00 O ATOM 0 H TYR A 20 3.492 -5.365 4.724 1.00 0.00 H new ATOM 0 HA TYR A 20 3.998 -7.564 2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.213 -7.455 5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.641 -7.721 5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.894 -9.156 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.878 -9.905 6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.140 -11.598 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.136 -12.343 5.768 1.00 0.00 H new ATOM 0 HH TYR A 20 4.195 -13.968 4.662 1.00 0.00 H new ATOM 299 N ILE A 21 1.541 -7.844 2.537 1.00 0.00 N ATOM 300 CA ILE A 21 0.118 -8.133 2.400 1.00 0.00 C ATOM 301 C ILE A 21 -0.217 -9.513 2.960 1.00 0.00 C ATOM 302 O ILE A 21 0.478 -10.494 2.689 1.00 0.00 O ATOM 303 CB ILE A 21 -0.288 -8.066 0.918 1.00 0.00 C ATOM 304 CG1 ILE A 21 -0.605 -6.613 0.529 1.00 0.00 C ATOM 305 CG2 ILE A 21 -1.524 -8.941 0.666 1.00 0.00 C ATOM 306 CD1 ILE A 21 -1.972 -6.202 1.089 1.00 0.00 C ATOM 0 H ILE A 21 2.078 -7.934 1.674 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.437 -7.386 2.967 1.00 0.00 H new ATOM 0 HB ILE A 21 0.540 -8.434 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.169 -5.949 0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.602 -6.510 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.801 -8.885 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.297 -9.975 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.352 -8.586 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.186 -5.171 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.743 -6.856 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.960 -6.286 2.176 1.00 0.00 H new ATOM 318 N GLN A 22 -1.303 -9.572 3.725 1.00 0.00 N ATOM 319 CA GLN A 22 -1.765 -10.824 4.312 1.00 0.00 C ATOM 320 C GLN A 22 -3.196 -11.089 3.850 1.00 0.00 C ATOM 321 O GLN A 22 -4.158 -10.626 4.465 1.00 0.00 O ATOM 322 CB GLN A 22 -1.708 -10.745 5.845 1.00 0.00 C ATOM 323 CG GLN A 22 -0.902 -11.926 6.397 1.00 0.00 C ATOM 324 CD GLN A 22 -1.684 -13.226 6.227 1.00 0.00 C ATOM 325 OE1 GLN A 22 -2.074 -13.580 5.115 1.00 0.00 O ATOM 326 NE2 GLN A 22 -1.933 -13.966 7.273 1.00 0.00 N ATOM 0 H GLN A 22 -1.881 -8.763 3.953 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.119 -11.640 3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.250 -9.805 6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.717 -10.758 6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.053 -11.998 5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.680 -11.762 7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.609 -13.672 8.195 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.451 -14.838 7.169 1.00 0.00 H new ATOM 335 N PRO A 23 -3.351 -11.796 2.759 1.00 0.00 N ATOM 336 CA PRO A 23 -4.686 -12.097 2.181 1.00 0.00 C ATOM 337 C PRO A 23 -5.470 -13.114 3.002 1.00 0.00 C ATOM 338 O PRO A 23 -4.892 -13.942 3.706 1.00 0.00 O ATOM 339 CB PRO A 23 -4.390 -12.640 0.773 1.00 0.00 C ATOM 340 CG PRO A 23 -2.901 -12.623 0.594 1.00 0.00 C ATOM 341 CD PRO A 23 -2.269 -12.388 1.964 1.00 0.00 C ATOM 0 HA PRO A 23 -5.314 -11.206 2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.779 -13.652 0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.876 -12.026 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.556 -13.567 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.609 -11.836 -0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.914 -13.320 2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.411 -11.719 1.898 1.00 0.00 H new ATOM 349 N LYS A 24 -6.796 -13.033 2.887 1.00 0.00 N ATOM 350 CA LYS A 24 -7.701 -13.938 3.596 1.00 0.00 C ATOM 351 C LYS A 24 -7.830 -13.562 5.072 1.00 0.00 C ATOM 352 O LYS A 24 -7.852 -14.438 5.940 1.00 0.00 O ATOM 353 CB LYS A 24 -7.224 -15.395 3.473 1.00 0.00 C ATOM 354 CG LYS A 24 -6.942 -15.733 2.002 1.00 0.00 C ATOM 355 CD LYS A 24 -6.405 -17.165 1.892 1.00 0.00 C ATOM 356 CE LYS A 24 -5.026 -17.256 2.555 1.00 0.00 C ATOM 357 NZ LYS A 24 -5.176 -17.752 3.952 1.00 0.00 N ATOM 0 H LYS A 24 -7.270 -12.343 2.304 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.682 -13.842 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.323 -15.543 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.982 -16.069 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.854 -15.631 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.217 -15.030 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.095 -17.860 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.335 -17.457 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.382 -17.927 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.546 -16.277 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.657 -17.126 4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.183 -17.761 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.792 -18.716 4.021 1.00 0.00 H new ATOM 371 N ALA A 25 -7.949 -12.263 5.357 1.00 0.00 N ATOM 372 CA ALA A 25 -8.111 -11.808 6.717 1.00 0.00 C ATOM 373 C ALA A 25 -9.583 -11.515 6.948 1.00 0.00 C ATOM 374 O ALA A 25 -10.363 -11.458 5.995 1.00 0.00 O ATOM 375 CB ALA A 25 -7.283 -10.544 6.939 1.00 0.00 C ATOM 0 H ALA A 25 -7.935 -11.519 4.659 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.770 -12.572 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.408 -10.203 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.231 -10.761 6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.619 -9.764 6.255 1.00 0.00 H new ATOM 381 N SER A 26 -9.965 -11.325 8.196 1.00 0.00 N ATOM 382 CA SER A 26 -11.359 -11.035 8.499 1.00 0.00 C ATOM 383 C SER A 26 -11.775 -9.725 7.835 1.00 0.00 C ATOM 384 O SER A 26 -12.964 -9.461 7.650 1.00 0.00 O ATOM 385 CB SER A 26 -11.559 -10.931 10.014 1.00 0.00 C ATOM 386 OG SER A 26 -10.816 -9.825 10.513 1.00 0.00 O ATOM 0 H SER A 26 -9.345 -11.364 9.005 1.00 0.00 H new ATOM 0 HA SER A 26 -11.977 -11.846 8.113 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.617 -10.807 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.233 -11.851 10.499 1.00 0.00 H new ATOM 0 HG SER A 26 -10.944 -9.755 11.482 1.00 0.00 H new ATOM 392 N ARG A 27 -10.781 -8.911 7.478 1.00 0.00 N ATOM 393 CA ARG A 27 -11.045 -7.623 6.831 1.00 0.00 C ATOM 394 C ARG A 27 -9.738 -6.939 6.449 1.00 0.00 C ATOM 395 O ARG A 27 -8.664 -7.359 6.879 1.00 0.00 O ATOM 396 CB ARG A 27 -11.845 -6.706 7.769 1.00 0.00 C ATOM 397 CG ARG A 27 -11.100 -6.532 9.100 1.00 0.00 C ATOM 398 CD ARG A 27 -12.090 -6.152 10.208 1.00 0.00 C ATOM 399 NE ARG A 27 -13.207 -5.386 9.659 1.00 0.00 N ATOM 400 CZ ARG A 27 -14.457 -5.615 10.048 1.00 0.00 C ATOM 401 NH1 ARG A 27 -14.928 -6.833 10.047 1.00 0.00 N ATOM 402 NH2 ARG A 27 -15.213 -4.622 10.428 1.00 0.00 N ATOM 0 H ARG A 27 -9.793 -9.117 7.624 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.627 -7.811 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.996 -5.734 7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.833 -7.130 7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.585 -7.456 9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.337 -5.759 9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.464 -7.053 10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.581 -5.566 10.973 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.024 -4.662 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.337 -7.608 9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.887 -7.009 10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -14.845 -3.671 10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -16.172 -4.797 10.727 1.00 0.00 H new ATOM 416 N ASP A 28 -9.837 -5.854 5.683 1.00 0.00 N ATOM 417 CA ASP A 28 -8.651 -5.098 5.304 1.00 0.00 C ATOM 418 C ASP A 28 -8.297 -4.138 6.431 1.00 0.00 C ATOM 419 O ASP A 28 -8.781 -3.006 6.488 1.00 0.00 O ATOM 420 CB ASP A 28 -8.872 -4.310 4.016 1.00 0.00 C ATOM 421 CG ASP A 28 -10.146 -4.767 3.307 1.00 0.00 C ATOM 422 OD1 ASP A 28 -11.216 -4.369 3.738 1.00 0.00 O ATOM 423 OD2 ASP A 28 -10.033 -5.506 2.344 1.00 0.00 O ATOM 0 H ASP A 28 -10.715 -5.485 5.318 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.837 -5.802 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.940 -3.246 4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.016 -4.441 3.354 1.00 0.00 H new ATOM 428 N SER A 29 -7.469 -4.622 7.338 1.00 0.00 N ATOM 429 CA SER A 29 -7.051 -3.837 8.500 1.00 0.00 C ATOM 430 C SER A 29 -5.535 -3.866 8.688 1.00 0.00 C ATOM 431 O SER A 29 -4.887 -4.890 8.463 1.00 0.00 O ATOM 432 CB SER A 29 -7.727 -4.380 9.760 1.00 0.00 C ATOM 433 OG SER A 29 -9.044 -3.853 9.852 1.00 0.00 O ATOM 0 H SER A 29 -7.067 -5.559 7.298 1.00 0.00 H new ATOM 0 HA SER A 29 -7.351 -2.804 8.327 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.760 -5.469 9.728 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.150 -4.105 10.643 1.00 0.00 H new ATOM 0 HG SER A 29 -9.480 -4.201 10.658 1.00 0.00 H new ATOM 439 N ILE A 30 -4.988 -2.733 9.126 1.00 0.00 N ATOM 440 CA ILE A 30 -3.549 -2.610 9.375 1.00 0.00 C ATOM 441 C ILE A 30 -3.261 -2.926 10.847 1.00 0.00 C ATOM 442 O ILE A 30 -3.022 -2.030 11.658 1.00 0.00 O ATOM 443 CB ILE A 30 -3.072 -1.188 9.024 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.280 -0.240 8.904 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.318 -1.222 7.691 1.00 0.00 C ATOM 446 CD1 ILE A 30 -3.831 1.130 8.384 1.00 0.00 C ATOM 0 H ILE A 30 -5.520 -1.884 9.317 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.008 -3.317 8.746 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.413 -0.827 9.813 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.021 -0.668 8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.761 -0.128 9.876 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.979 -0.217 7.439 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.457 -1.885 7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.981 -1.588 6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.695 1.790 8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.107 1.562 9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.371 1.014 7.403 1.00 0.00 H new ATOM 458 N VAL A 31 -3.328 -4.213 11.180 1.00 0.00 N ATOM 459 CA VAL A 31 -3.123 -4.677 12.555 1.00 0.00 C ATOM 460 C VAL A 31 -1.744 -5.312 12.763 1.00 0.00 C ATOM 461 O VAL A 31 -1.548 -6.062 13.722 1.00 0.00 O ATOM 462 CB VAL A 31 -4.216 -5.685 12.934 1.00 0.00 C ATOM 463 CG1 VAL A 31 -4.505 -5.586 14.435 1.00 0.00 C ATOM 464 CG2 VAL A 31 -5.496 -5.374 12.151 1.00 0.00 C ATOM 0 H VAL A 31 -3.524 -4.960 10.513 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.178 -3.800 13.200 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.877 -6.692 12.692 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.281 -6.302 14.704 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.597 -5.808 14.996 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.843 -4.578 14.675 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.271 -6.091 12.421 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.834 -4.366 12.392 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.295 -5.443 11.082 1.00 0.00 H new ATOM 474 N GLY A 32 -0.793 -5.035 11.872 1.00 0.00 N ATOM 475 CA GLY A 32 0.541 -5.616 11.998 1.00 0.00 C ATOM 476 C GLY A 32 1.589 -4.625 11.541 1.00 0.00 C ATOM 477 O GLY A 32 2.610 -4.986 10.956 1.00 0.00 O ATOM 0 H GLY A 32 -0.919 -4.421 11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.726 -5.899 13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.607 -6.526 11.402 1.00 0.00 H new ATOM 481 N LEU A 33 1.319 -3.367 11.832 1.00 0.00 N ATOM 482 CA LEU A 33 2.217 -2.289 11.476 1.00 0.00 C ATOM 483 C LEU A 33 3.466 -2.345 12.346 1.00 0.00 C ATOM 484 O LEU A 33 3.382 -2.315 13.575 1.00 0.00 O ATOM 485 CB LEU A 33 1.481 -0.967 11.671 1.00 0.00 C ATOM 486 CG LEU A 33 0.336 -0.859 10.657 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.134 0.594 10.572 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.818 -1.324 9.278 1.00 0.00 C ATOM 0 H LEU A 33 0.475 -3.066 12.319 1.00 0.00 H new ATOM 0 HA LEU A 33 2.528 -2.383 10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.088 -0.905 12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.171 -0.133 11.545 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.491 -1.491 10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.948 0.672 9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.484 0.921 11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.695 1.226 10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.001 -1.245 8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.648 -0.697 8.952 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.149 -2.361 9.339 1.00 0.00 H new ATOM 500 N HIS A 34 4.622 -2.454 11.696 1.00 0.00 N ATOM 501 CA HIS A 34 5.888 -2.545 12.411 1.00 0.00 C ATOM 502 C HIS A 34 6.724 -1.281 12.231 1.00 0.00 C ATOM 503 O HIS A 34 6.485 -0.485 11.323 1.00 0.00 O ATOM 504 CB HIS A 34 6.662 -3.769 11.906 1.00 0.00 C ATOM 505 CG HIS A 34 7.861 -4.024 12.782 1.00 0.00 C ATOM 506 ND1 HIS A 34 7.898 -3.651 14.117 1.00 0.00 N ATOM 507 CD2 HIS A 34 9.071 -4.618 12.527 1.00 0.00 C ATOM 508 CE1 HIS A 34 9.094 -4.021 14.609 1.00 0.00 C ATOM 509 NE2 HIS A 34 9.848 -4.615 13.681 1.00 0.00 N ATOM 0 H HIS A 34 4.706 -2.481 10.680 1.00 0.00 H new ATOM 0 HA HIS A 34 5.680 -2.650 13.476 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.012 -4.644 11.903 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.982 -3.607 10.877 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.375 -5.026 11.574 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.406 -3.858 15.630 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.791 -4.987 13.794 1.00 0.00 H new ATOM 517 N GLY A 35 7.709 -1.103 13.108 1.00 0.00 N ATOM 518 CA GLY A 35 8.581 0.061 13.039 1.00 0.00 C ATOM 519 C GLY A 35 9.539 -0.063 11.861 1.00 0.00 C ATOM 520 O GLY A 35 9.975 0.939 11.296 1.00 0.00 O ATOM 0 H GLY A 35 7.921 -1.747 13.870 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.983 0.966 12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.145 0.156 13.967 1.00 0.00 H new ATOM 524 N ASP A 36 9.853 -1.305 11.494 1.00 0.00 N ATOM 525 CA ASP A 36 10.753 -1.562 10.375 1.00 0.00 C ATOM 526 C ASP A 36 9.987 -2.169 9.206 1.00 0.00 C ATOM 527 O ASP A 36 10.528 -2.303 8.108 1.00 0.00 O ATOM 528 CB ASP A 36 11.863 -2.532 10.791 1.00 0.00 C ATOM 529 CG ASP A 36 12.615 -1.997 12.006 1.00 0.00 C ATOM 530 OD1 ASP A 36 11.996 -1.845 13.047 1.00 0.00 O ATOM 531 OD2 ASP A 36 13.804 -1.752 11.878 1.00 0.00 O ATOM 0 H ASP A 36 9.499 -2.144 11.954 1.00 0.00 H new ATOM 0 HA ASP A 36 11.192 -0.611 10.073 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.434 -3.507 11.022 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.556 -2.677 9.962 1.00 0.00 H new ATOM 536 N GLU A 37 8.729 -2.544 9.451 1.00 0.00 N ATOM 537 CA GLU A 37 7.905 -3.145 8.405 1.00 0.00 C ATOM 538 C GLU A 37 6.449 -2.711 8.546 1.00 0.00 C ATOM 539 O GLU A 37 6.106 -1.940 9.435 1.00 0.00 O ATOM 540 CB GLU A 37 7.989 -4.675 8.475 1.00 0.00 C ATOM 541 CG GLU A 37 9.455 -5.115 8.558 1.00 0.00 C ATOM 542 CD GLU A 37 9.583 -6.619 8.304 1.00 0.00 C ATOM 543 OE1 GLU A 37 8.583 -7.312 8.404 1.00 0.00 O ATOM 544 OE2 GLU A 37 10.685 -7.054 8.016 1.00 0.00 O ATOM 0 H GLU A 37 8.265 -2.443 10.354 1.00 0.00 H new ATOM 0 HA GLU A 37 8.284 -2.805 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.442 -5.038 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.518 -5.114 7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.047 -4.566 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.858 -4.871 9.541 1.00 0.00 H new ATOM 551 N VAL A 38 5.599 -3.217 7.660 1.00 0.00 N ATOM 552 CA VAL A 38 4.179 -2.888 7.689 1.00 0.00 C ATOM 553 C VAL A 38 3.374 -4.115 7.301 1.00 0.00 C ATOM 554 O VAL A 38 3.454 -4.577 6.166 1.00 0.00 O ATOM 555 CB VAL A 38 3.878 -1.741 6.715 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.360 -1.575 6.550 1.00 0.00 C ATOM 557 CG2 VAL A 38 4.476 -0.442 7.262 1.00 0.00 C ATOM 0 H VAL A 38 5.869 -3.857 6.913 1.00 0.00 H new ATOM 0 HA VAL A 38 3.905 -2.571 8.695 1.00 0.00 H new ATOM 0 HB VAL A 38 4.319 -1.970 5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.156 -0.759 5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.933 -2.498 6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.911 -1.350 7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.264 0.375 6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.036 -0.220 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.555 -0.555 7.370 1.00 0.00 H new ATOM 567 N LYS A 39 2.605 -4.649 8.241 1.00 0.00 N ATOM 568 CA LYS A 39 1.810 -5.827 7.951 1.00 0.00 C ATOM 569 C LYS A 39 0.327 -5.497 7.968 1.00 0.00 C ATOM 570 O LYS A 39 -0.221 -5.082 8.992 1.00 0.00 O ATOM 571 CB LYS A 39 2.117 -6.934 8.955 1.00 0.00 C ATOM 572 CG LYS A 39 2.228 -8.258 8.202 1.00 0.00 C ATOM 573 CD LYS A 39 1.856 -9.431 9.121 1.00 0.00 C ATOM 574 CE LYS A 39 0.443 -9.230 9.682 1.00 0.00 C ATOM 575 NZ LYS A 39 0.527 -8.832 11.115 1.00 0.00 N ATOM 0 H LYS A 39 2.517 -4.291 9.192 1.00 0.00 H new ATOM 0 HA LYS A 39 2.071 -6.176 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.047 -6.719 9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.330 -6.991 9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.570 -8.246 7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.244 -8.388 7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.906 -10.368 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.573 -9.505 9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.080 -8.463 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.133 -10.150 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.286 -8.230 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.517 -9.683 11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.409 -8.305 11.278 1.00 0.00 H new ATOM 589 N VAL A 40 -0.316 -5.689 6.824 1.00 0.00 N ATOM 590 CA VAL A 40 -1.740 -5.420 6.697 1.00 0.00 C ATOM 591 C VAL A 40 -2.467 -6.673 6.230 1.00 0.00 C ATOM 592 O VAL A 40 -2.039 -7.332 5.281 1.00 0.00 O ATOM 593 CB VAL A 40 -1.974 -4.283 5.692 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.664 -4.769 4.273 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.436 -3.827 5.763 1.00 0.00 C ATOM 0 H VAL A 40 0.127 -6.030 5.971 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.129 -5.122 7.671 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.317 -3.449 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.832 -3.957 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.624 -5.089 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.315 -5.607 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.600 -3.020 5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.090 -4.664 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.658 -3.472 6.769 1.00 0.00 H new ATOM 605 N ALA A 41 -3.573 -6.993 6.889 1.00 0.00 N ATOM 606 CA ALA A 41 -4.349 -8.163 6.507 1.00 0.00 C ATOM 607 C ALA A 41 -5.510 -7.728 5.636 1.00 0.00 C ATOM 608 O ALA A 41 -6.277 -6.851 6.020 1.00 0.00 O ATOM 609 CB ALA A 41 -4.881 -8.894 7.743 1.00 0.00 C ATOM 0 H ALA A 41 -3.948 -6.467 7.679 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.703 -8.846 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.458 -9.765 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.045 -9.216 8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.520 -8.222 8.316 1.00 0.00 H new ATOM 615 N ILE A 42 -5.627 -8.341 4.466 1.00 0.00 N ATOM 616 CA ILE A 42 -6.701 -8.007 3.543 1.00 0.00 C ATOM 617 C ILE A 42 -7.598 -9.222 3.355 1.00 0.00 C ATOM 618 O ILE A 42 -7.135 -10.363 3.391 1.00 0.00 O ATOM 619 CB ILE A 42 -6.109 -7.548 2.198 1.00 0.00 C ATOM 620 CG1 ILE A 42 -7.233 -7.053 1.280 1.00 0.00 C ATOM 621 CG2 ILE A 42 -5.378 -8.714 1.526 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.635 -6.309 0.081 1.00 0.00 C ATOM 0 H ILE A 42 -4.994 -9.069 4.135 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.298 -7.190 3.949 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.404 -6.737 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.831 -7.896 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.902 -6.393 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.961 -8.383 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.573 -9.060 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.079 -9.530 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.438 -5.960 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.056 -5.455 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.984 -6.982 -0.477 1.00 0.00 H new ATOM 634 N THR A 43 -8.886 -8.966 3.179 1.00 0.00 N ATOM 635 CA THR A 43 -9.861 -10.041 3.015 1.00 0.00 C ATOM 636 C THR A 43 -9.973 -10.453 1.551 1.00 0.00 C ATOM 637 O THR A 43 -10.984 -11.017 1.127 1.00 0.00 O ATOM 638 CB THR A 43 -11.226 -9.586 3.553 1.00 0.00 C ATOM 639 OG1 THR A 43 -12.157 -10.652 3.449 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.731 -8.381 2.755 1.00 0.00 C ATOM 0 H THR A 43 -9.282 -8.027 3.146 1.00 0.00 H new ATOM 0 HA THR A 43 -9.525 -10.909 3.582 1.00 0.00 H new ATOM 0 HB THR A 43 -11.118 -9.298 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.076 -11.073 2.568 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.699 -8.067 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.019 -7.560 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.834 -8.657 1.706 1.00 0.00 H new ATOM 648 N ALA A 44 -8.924 -10.174 0.785 1.00 0.00 N ATOM 649 CA ALA A 44 -8.908 -10.521 -0.629 1.00 0.00 C ATOM 650 C ALA A 44 -8.096 -11.790 -0.867 1.00 0.00 C ATOM 651 O ALA A 44 -7.077 -12.015 -0.214 1.00 0.00 O ATOM 652 CB ALA A 44 -8.302 -9.375 -1.439 1.00 0.00 C ATOM 0 H ALA A 44 -8.078 -9.711 1.118 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.935 -10.696 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.293 -9.641 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.898 -8.474 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.282 -9.191 -1.103 1.00 0.00 H new ATOM 658 N PRO A 45 -8.526 -12.608 -1.797 1.00 0.00 N ATOM 659 CA PRO A 45 -7.814 -13.868 -2.148 1.00 0.00 C ATOM 660 C PRO A 45 -6.355 -13.612 -2.533 1.00 0.00 C ATOM 661 O PRO A 45 -5.960 -12.470 -2.775 1.00 0.00 O ATOM 662 CB PRO A 45 -8.591 -14.449 -3.337 1.00 0.00 C ATOM 663 CG PRO A 45 -9.728 -13.526 -3.636 1.00 0.00 C ATOM 664 CD PRO A 45 -9.740 -12.408 -2.592 1.00 0.00 C ATOM 0 HA PRO A 45 -7.781 -14.550 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.941 -14.548 -4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.961 -15.447 -3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.622 -13.107 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.672 -14.071 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.742 -11.427 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.632 -12.462 -1.968 1.00 0.00 H new ATOM 672 N PRO A 46 -5.556 -14.650 -2.595 1.00 0.00 N ATOM 673 CA PRO A 46 -4.115 -14.544 -2.960 1.00 0.00 C ATOM 674 C PRO A 46 -3.911 -14.346 -4.464 1.00 0.00 C ATOM 675 O PRO A 46 -2.789 -14.445 -4.964 1.00 0.00 O ATOM 676 CB PRO A 46 -3.503 -15.879 -2.497 1.00 0.00 C ATOM 677 CG PRO A 46 -4.616 -16.682 -1.890 1.00 0.00 C ATOM 678 CD PRO A 46 -5.931 -16.038 -2.322 1.00 0.00 C ATOM 0 HA PRO A 46 -3.648 -13.678 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.057 -16.411 -3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.709 -15.708 -1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.568 -17.718 -2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.533 -16.693 -0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.345 -16.524 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.687 -16.103 -1.539 1.00 0.00 H new ATOM 686 N VAL A 47 -4.999 -14.060 -5.179 1.00 0.00 N ATOM 687 CA VAL A 47 -4.922 -13.847 -6.623 1.00 0.00 C ATOM 688 C VAL A 47 -4.787 -12.356 -6.931 1.00 0.00 C ATOM 689 O VAL A 47 -5.266 -11.515 -6.172 1.00 0.00 O ATOM 690 CB VAL A 47 -6.169 -14.424 -7.312 1.00 0.00 C ATOM 691 CG1 VAL A 47 -7.396 -13.564 -6.996 1.00 0.00 C ATOM 692 CG2 VAL A 47 -5.948 -14.457 -8.827 1.00 0.00 C ATOM 0 H VAL A 47 -5.936 -13.971 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.042 -14.363 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.339 -15.435 -6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.272 -13.984 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.561 -13.547 -5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.230 -12.548 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.833 -14.866 -9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.768 -13.445 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.085 -15.083 -9.055 1.00 0.00 H new ATOM 702 N ASP A 48 -4.119 -12.034 -8.039 1.00 0.00 N ATOM 703 CA ASP A 48 -3.920 -10.636 -8.418 1.00 0.00 C ATOM 704 C ASP A 48 -5.253 -9.958 -8.713 1.00 0.00 C ATOM 705 O ASP A 48 -5.556 -8.912 -8.154 1.00 0.00 O ATOM 706 CB ASP A 48 -3.009 -10.524 -9.649 1.00 0.00 C ATOM 707 CG ASP A 48 -1.836 -11.507 -9.566 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.544 -11.978 -8.479 1.00 0.00 O ATOM 709 OD2 ASP A 48 -1.239 -11.768 -10.599 1.00 0.00 O ATOM 0 H ASP A 48 -3.711 -12.713 -8.682 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.443 -10.134 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.588 -10.721 -10.551 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.628 -9.506 -9.730 1.00 0.00 H new ATOM 714 N GLY A 49 -6.046 -10.553 -9.598 1.00 0.00 N ATOM 715 CA GLY A 49 -7.344 -9.982 -9.958 1.00 0.00 C ATOM 716 C GLY A 49 -8.071 -9.404 -8.741 1.00 0.00 C ATOM 717 O GLY A 49 -8.579 -8.283 -8.789 1.00 0.00 O ATOM 0 H GLY A 49 -5.817 -11.424 -10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.202 -9.198 -10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.963 -10.751 -10.419 1.00 0.00 H new ATOM 721 N GLN A 50 -8.127 -10.179 -7.658 1.00 0.00 N ATOM 722 CA GLN A 50 -8.815 -9.748 -6.440 1.00 0.00 C ATOM 723 C GLN A 50 -7.920 -8.895 -5.536 1.00 0.00 C ATOM 724 O GLN A 50 -8.325 -7.820 -5.092 1.00 0.00 O ATOM 725 CB GLN A 50 -9.297 -10.978 -5.664 1.00 0.00 C ATOM 726 CG GLN A 50 -10.800 -10.861 -5.386 1.00 0.00 C ATOM 727 CD GLN A 50 -11.586 -10.842 -6.696 1.00 0.00 C ATOM 728 OE1 GLN A 50 -11.005 -11.210 -7.807 1.00 0.00 O flip ATOM 729 NE2 GLN A 50 -12.763 -10.480 -6.707 1.00 0.00 N flip ATOM 0 H GLN A 50 -7.706 -11.106 -7.599 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.661 -9.130 -6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.093 -11.883 -6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.750 -11.064 -4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.128 -11.698 -4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.002 -9.951 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.216 -10.193 -5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.285 -10.467 -7.583 1.00 0.00 H new ATOM 738 N ALA A 51 -6.714 -9.379 -5.252 1.00 0.00 N ATOM 739 CA ALA A 51 -5.790 -8.645 -4.387 1.00 0.00 C ATOM 740 C ALA A 51 -5.461 -7.282 -4.993 1.00 0.00 C ATOM 741 O ALA A 51 -5.555 -6.252 -4.325 1.00 0.00 O ATOM 742 CB ALA A 51 -4.505 -9.454 -4.194 1.00 0.00 C ATOM 0 H ALA A 51 -6.355 -10.267 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.266 -8.490 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.821 -8.902 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.744 -10.413 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.033 -9.624 -5.162 1.00 0.00 H new ATOM 748 N ASN A 52 -5.085 -7.298 -6.266 1.00 0.00 N ATOM 749 CA ASN A 52 -4.744 -6.080 -6.991 1.00 0.00 C ATOM 750 C ASN A 52 -5.910 -5.089 -6.980 1.00 0.00 C ATOM 751 O ASN A 52 -5.735 -3.923 -6.621 1.00 0.00 O ATOM 752 CB ASN A 52 -4.383 -6.431 -8.437 1.00 0.00 C ATOM 753 CG ASN A 52 -3.694 -5.248 -9.110 1.00 0.00 C ATOM 754 OD1 ASN A 52 -4.280 -4.173 -9.231 1.00 0.00 O ATOM 755 ND2 ASN A 52 -2.475 -5.383 -9.557 1.00 0.00 N ATOM 0 H ASN A 52 -5.008 -8.150 -6.822 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.892 -5.612 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.727 -7.301 -8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.284 -6.699 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.007 -4.597 -10.007 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.991 -6.275 -9.456 1.00 0.00 H new ATOM 762 N SER A 53 -7.096 -5.555 -7.383 1.00 0.00 N ATOM 763 CA SER A 53 -8.276 -4.689 -7.419 1.00 0.00 C ATOM 764 C SER A 53 -8.481 -3.991 -6.074 1.00 0.00 C ATOM 765 O SER A 53 -8.692 -2.780 -6.026 1.00 0.00 O ATOM 766 CB SER A 53 -9.522 -5.502 -7.785 1.00 0.00 C ATOM 767 OG SER A 53 -9.688 -6.563 -6.854 1.00 0.00 O ATOM 0 H SER A 53 -7.263 -6.515 -7.685 1.00 0.00 H new ATOM 0 HA SER A 53 -8.114 -3.927 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.402 -4.859 -7.780 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.424 -5.902 -8.794 1.00 0.00 H new ATOM 0 HG SER A 53 -8.818 -6.801 -6.471 1.00 0.00 H new ATOM 773 N HIS A 54 -8.407 -4.757 -4.985 1.00 0.00 N ATOM 774 CA HIS A 54 -8.575 -4.186 -3.650 1.00 0.00 C ATOM 775 C HIS A 54 -7.494 -3.148 -3.380 1.00 0.00 C ATOM 776 O HIS A 54 -7.780 -2.055 -2.903 1.00 0.00 O ATOM 777 CB HIS A 54 -8.477 -5.280 -2.584 1.00 0.00 C ATOM 778 CG HIS A 54 -9.849 -5.765 -2.210 1.00 0.00 C ATOM 779 ND1 HIS A 54 -10.916 -5.735 -3.094 1.00 0.00 N ATOM 780 CD2 HIS A 54 -10.344 -6.295 -1.044 1.00 0.00 C ATOM 781 CE1 HIS A 54 -11.988 -6.233 -2.453 1.00 0.00 C ATOM 782 NE2 HIS A 54 -11.695 -6.590 -1.199 1.00 0.00 N ATOM 0 H HIS A 54 -8.234 -5.762 -5.000 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.558 -3.717 -3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.879 -6.111 -2.959 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.967 -4.893 -1.702 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.771 -6.458 -0.143 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.967 -6.332 -2.898 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.326 -6.992 -0.505 1.00 0.00 H new ATOM 790 N LEU A 55 -6.251 -3.506 -3.684 1.00 0.00 N ATOM 791 CA LEU A 55 -5.121 -2.606 -3.470 1.00 0.00 C ATOM 792 C LEU A 55 -5.414 -1.230 -4.058 1.00 0.00 C ATOM 793 O LEU A 55 -5.451 -0.232 -3.338 1.00 0.00 O ATOM 794 CB LEU A 55 -3.864 -3.189 -4.130 1.00 0.00 C ATOM 795 CG LEU A 55 -2.619 -2.844 -3.302 1.00 0.00 C ATOM 796 CD1 LEU A 55 -2.539 -1.328 -3.087 1.00 0.00 C ATOM 797 CD2 LEU A 55 -2.687 -3.556 -1.945 1.00 0.00 C ATOM 0 H LEU A 55 -5.999 -4.412 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.957 -2.502 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.961 -4.271 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.758 -2.793 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.730 -3.176 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.653 -1.090 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.479 -0.826 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.429 -0.988 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.801 -3.309 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.579 -3.232 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.729 -4.634 -2.101 1.00 0.00 H new ATOM 809 N VAL A 56 -5.625 -1.189 -5.368 1.00 0.00 N ATOM 810 CA VAL A 56 -5.916 0.064 -6.049 1.00 0.00 C ATOM 811 C VAL A 56 -7.123 0.756 -5.413 1.00 0.00 C ATOM 812 O VAL A 56 -7.301 1.966 -5.556 1.00 0.00 O ATOM 813 CB VAL A 56 -6.167 -0.203 -7.543 1.00 0.00 C ATOM 814 CG1 VAL A 56 -7.670 -0.204 -7.848 1.00 0.00 C ATOM 815 CG2 VAL A 56 -5.477 0.882 -8.374 1.00 0.00 C ATOM 0 H VAL A 56 -5.600 -2.007 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.058 0.728 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.761 -1.182 -7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.826 -0.395 -8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.159 -0.983 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.095 0.765 -7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.653 0.696 -9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.881 1.858 -8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.405 0.866 -8.176 1.00 0.00 H new ATOM 825 N LYS A 57 -7.949 -0.021 -4.716 1.00 0.00 N ATOM 826 CA LYS A 57 -9.138 0.530 -4.070 1.00 0.00 C ATOM 827 C LYS A 57 -8.800 1.099 -2.693 1.00 0.00 C ATOM 828 O LYS A 57 -8.996 2.288 -2.440 1.00 0.00 O ATOM 829 CB LYS A 57 -10.213 -0.550 -3.932 1.00 0.00 C ATOM 830 CG LYS A 57 -11.581 0.115 -3.771 1.00 0.00 C ATOM 831 CD LYS A 57 -12.633 -0.943 -3.427 1.00 0.00 C ATOM 832 CE LYS A 57 -14.036 -0.371 -3.651 1.00 0.00 C ATOM 833 NZ LYS A 57 -14.152 0.951 -2.972 1.00 0.00 N ATOM 0 H LYS A 57 -7.819 -1.024 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.516 1.339 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.211 -1.196 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.000 -1.183 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.539 0.869 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.856 0.629 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.488 -1.828 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.520 -1.258 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.229 -0.261 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.786 -1.059 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.156 1.172 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.655 0.917 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.726 1.687 -3.570 1.00 0.00 H new ATOM 847 N PHE A 58 -8.305 0.240 -1.804 1.00 0.00 N ATOM 848 CA PHE A 58 -7.956 0.664 -0.451 1.00 0.00 C ATOM 849 C PHE A 58 -7.001 1.855 -0.476 1.00 0.00 C ATOM 850 O PHE A 58 -7.113 2.763 0.346 1.00 0.00 O ATOM 851 CB PHE A 58 -7.304 -0.499 0.305 1.00 0.00 C ATOM 852 CG PHE A 58 -7.477 -0.301 1.797 1.00 0.00 C ATOM 853 CD1 PHE A 58 -8.755 -0.350 2.367 1.00 0.00 C ATOM 854 CD2 PHE A 58 -6.358 -0.064 2.609 1.00 0.00 C ATOM 855 CE1 PHE A 58 -8.916 -0.167 3.745 1.00 0.00 C ATOM 856 CE2 PHE A 58 -6.521 0.119 3.987 1.00 0.00 C ATOM 857 CZ PHE A 58 -7.800 0.069 4.554 1.00 0.00 C ATOM 0 H PHE A 58 -8.138 -0.748 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.872 0.968 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.756 -1.443 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.244 -0.558 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.618 -0.529 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.372 -0.023 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.902 -0.208 4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.660 0.299 4.613 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.925 0.213 5.617 1.00 0.00 H new ATOM 867 N LEU A 59 -6.062 1.845 -1.418 1.00 0.00 N ATOM 868 CA LEU A 59 -5.095 2.935 -1.526 1.00 0.00 C ATOM 869 C LEU A 59 -5.679 4.095 -2.321 1.00 0.00 C ATOM 870 O LEU A 59 -5.462 5.259 -1.983 1.00 0.00 O ATOM 871 CB LEU A 59 -3.812 2.440 -2.202 1.00 0.00 C ATOM 872 CG LEU A 59 -2.650 2.504 -1.203 1.00 0.00 C ATOM 873 CD1 LEU A 59 -2.777 1.364 -0.187 1.00 0.00 C ATOM 874 CD2 LEU A 59 -1.322 2.374 -1.952 1.00 0.00 C ATOM 0 H LEU A 59 -5.950 1.104 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.860 3.283 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.946 1.418 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.589 3.053 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.680 3.459 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.949 1.413 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.720 1.459 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.752 0.407 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.497 2.420 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.294 1.421 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.228 3.189 -2.670 1.00 0.00 H new ATOM 886 N GLY A 60 -6.422 3.774 -3.376 1.00 0.00 N ATOM 887 CA GLY A 60 -7.033 4.803 -4.210 1.00 0.00 C ATOM 888 C GLY A 60 -8.002 5.656 -3.399 1.00 0.00 C ATOM 889 O GLY A 60 -8.095 6.864 -3.605 1.00 0.00 O ATOM 0 H GLY A 60 -6.614 2.817 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.257 5.436 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.561 4.337 -5.042 1.00 0.00 H new ATOM 893 N LYS A 61 -8.720 5.016 -2.480 1.00 0.00 N ATOM 894 CA LYS A 61 -9.685 5.722 -1.643 1.00 0.00 C ATOM 895 C LYS A 61 -8.995 6.430 -0.476 1.00 0.00 C ATOM 896 O LYS A 61 -9.460 7.472 -0.013 1.00 0.00 O ATOM 897 CB LYS A 61 -10.729 4.732 -1.107 1.00 0.00 C ATOM 898 CG LYS A 61 -10.160 3.966 0.093 1.00 0.00 C ATOM 899 CD LYS A 61 -10.995 2.705 0.356 1.00 0.00 C ATOM 900 CE LYS A 61 -12.483 3.065 0.444 1.00 0.00 C ATOM 901 NZ LYS A 61 -12.677 4.196 1.396 1.00 0.00 N ATOM 0 H LYS A 61 -8.652 4.015 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.176 6.478 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.632 5.267 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.015 4.033 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.123 3.692 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.162 4.604 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.835 1.981 -0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.672 2.233 1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.858 3.340 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.057 2.199 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.560 4.055 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.877 4.233 2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.730 5.090 0.867 1.00 0.00 H new ATOM 915 N GLN A 62 -7.894 5.853 0.002 1.00 0.00 N ATOM 916 CA GLN A 62 -7.161 6.434 1.126 1.00 0.00 C ATOM 917 C GLN A 62 -6.316 7.621 0.673 1.00 0.00 C ATOM 918 O GLN A 62 -6.320 8.674 1.311 1.00 0.00 O ATOM 919 CB GLN A 62 -6.254 5.378 1.766 1.00 0.00 C ATOM 920 CG GLN A 62 -7.073 4.506 2.725 1.00 0.00 C ATOM 921 CD GLN A 62 -6.762 4.882 4.171 1.00 0.00 C ATOM 922 OE1 GLN A 62 -6.515 4.006 5.001 1.00 0.00 O ATOM 923 NE2 GLN A 62 -6.757 6.139 4.523 1.00 0.00 N ATOM 0 H GLN A 62 -7.492 4.991 -0.367 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.889 6.783 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.800 4.758 0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.440 5.862 2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.137 4.636 2.528 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.844 3.454 2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.962 6.862 3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.548 6.398 5.487 1.00 0.00 H new ATOM 932 N PHE A 63 -5.594 7.442 -0.427 1.00 0.00 N ATOM 933 CA PHE A 63 -4.747 8.506 -0.952 1.00 0.00 C ATOM 934 C PHE A 63 -5.551 9.430 -1.856 1.00 0.00 C ATOM 935 O PHE A 63 -5.147 10.564 -2.117 1.00 0.00 O ATOM 936 CB PHE A 63 -3.568 7.910 -1.721 1.00 0.00 C ATOM 937 CG PHE A 63 -2.509 7.467 -0.738 1.00 0.00 C ATOM 938 CD1 PHE A 63 -2.635 6.237 -0.082 1.00 0.00 C ATOM 939 CD2 PHE A 63 -1.406 8.290 -0.478 1.00 0.00 C ATOM 940 CE1 PHE A 63 -1.658 5.828 0.833 1.00 0.00 C ATOM 941 CE2 PHE A 63 -0.429 7.883 0.438 1.00 0.00 C ATOM 942 CZ PHE A 63 -0.555 6.650 1.093 1.00 0.00 C ATOM 0 H PHE A 63 -5.578 6.578 -0.969 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.363 9.089 -0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.901 7.064 -2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.157 8.648 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.486 5.603 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.309 9.239 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.755 4.878 1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.421 8.518 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.199 6.334 1.799 1.00 0.00 H new ATOM 952 N ARG A 64 -6.700 8.941 -2.315 1.00 0.00 N ATOM 953 CA ARG A 64 -7.577 9.724 -3.176 1.00 0.00 C ATOM 954 C ARG A 64 -6.877 10.152 -4.466 1.00 0.00 C ATOM 955 O ARG A 64 -7.448 10.896 -5.264 1.00 0.00 O ATOM 956 CB ARG A 64 -8.059 10.961 -2.425 1.00 0.00 C ATOM 957 CG ARG A 64 -9.362 10.646 -1.684 1.00 0.00 C ATOM 958 CD ARG A 64 -9.775 11.850 -0.836 1.00 0.00 C ATOM 959 NE ARG A 64 -9.715 13.073 -1.631 1.00 0.00 N ATOM 960 CZ ARG A 64 -9.538 14.258 -1.058 1.00 0.00 C ATOM 961 NH1 ARG A 64 -10.024 14.488 0.130 1.00 0.00 N ATOM 962 NH2 ARG A 64 -8.875 15.193 -1.681 1.00 0.00 N ATOM 0 H ARG A 64 -7.044 8.004 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.424 9.094 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.297 11.287 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.217 11.783 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.149 10.405 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.228 9.770 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.786 11.705 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.117 11.937 0.029 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.811 13.016 -2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.541 13.758 0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.888 15.398 0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.492 15.014 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.740 16.103 -1.240 1.00 0.00 H new ATOM 976 N VAL A 65 -5.649 9.680 -4.666 1.00 0.00 N ATOM 977 CA VAL A 65 -4.892 10.021 -5.872 1.00 0.00 C ATOM 978 C VAL A 65 -5.577 9.437 -7.103 1.00 0.00 C ATOM 979 O VAL A 65 -6.714 9.787 -7.423 1.00 0.00 O ATOM 980 CB VAL A 65 -3.448 9.497 -5.761 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.605 10.021 -6.932 1.00 0.00 C ATOM 982 CG2 VAL A 65 -2.821 9.980 -4.451 1.00 0.00 C ATOM 0 H VAL A 65 -5.159 9.066 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.860 11.106 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.471 8.407 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.586 9.645 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.037 9.680 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.592 11.111 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.800 9.607 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.811 11.070 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.405 9.608 -3.609 1.00 0.00 H new ATOM 992 N ALA A 66 -4.872 8.563 -7.792 1.00 0.00 N ATOM 993 CA ALA A 66 -5.402 7.939 -8.999 1.00 0.00 C ATOM 994 C ALA A 66 -4.852 6.527 -9.172 1.00 0.00 C ATOM 995 O ALA A 66 -3.769 6.207 -8.679 1.00 0.00 O ATOM 996 CB ALA A 66 -5.023 8.784 -10.213 1.00 0.00 C ATOM 0 H ALA A 66 -3.929 8.265 -7.541 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.486 7.877 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.418 8.320 -11.117 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.443 9.784 -10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.937 8.852 -10.285 1.00 0.00 H new ATOM 1002 N LYS A 67 -5.597 5.694 -9.898 1.00 0.00 N ATOM 1003 CA LYS A 67 -5.166 4.325 -10.155 1.00 0.00 C ATOM 1004 C LYS A 67 -4.027 4.347 -11.160 1.00 0.00 C ATOM 1005 O LYS A 67 -3.147 3.486 -11.146 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.332 3.489 -10.697 1.00 0.00 C ATOM 1007 CG LYS A 67 -6.938 4.169 -11.930 1.00 0.00 C ATOM 1008 CD LYS A 67 -7.975 3.241 -12.572 1.00 0.00 C ATOM 1009 CE LYS A 67 -9.337 3.437 -11.896 1.00 0.00 C ATOM 1010 NZ LYS A 67 -9.987 2.111 -11.692 1.00 0.00 N ATOM 0 H LYS A 67 -6.494 5.943 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.826 3.872 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.983 2.490 -10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.094 3.370 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.406 5.111 -11.645 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.154 4.407 -12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.054 3.452 -13.638 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.657 2.203 -12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.210 3.943 -10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.972 4.074 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.911 2.244 -11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.121 1.645 -12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.383 1.518 -11.088 1.00 0.00 H new ATOM 1024 N SER A 68 -4.054 5.362 -12.019 1.00 0.00 N ATOM 1025 CA SER A 68 -3.026 5.537 -13.031 1.00 0.00 C ATOM 1026 C SER A 68 -1.753 6.080 -12.389 1.00 0.00 C ATOM 1027 O SER A 68 -0.681 6.059 -12.994 1.00 0.00 O ATOM 1028 CB SER A 68 -3.530 6.513 -14.095 1.00 0.00 C ATOM 1029 OG SER A 68 -4.114 5.781 -15.164 1.00 0.00 O ATOM 0 H SER A 68 -4.782 6.077 -12.031 1.00 0.00 H new ATOM 0 HA SER A 68 -2.803 4.576 -13.495 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.263 7.194 -13.662 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.706 7.124 -14.464 1.00 0.00 H new ATOM 0 HG SER A 68 -4.440 6.404 -15.847 1.00 0.00 H new ATOM 1035 N GLN A 69 -1.887 6.556 -11.153 1.00 0.00 N ATOM 1036 CA GLN A 69 -0.751 7.097 -10.413 1.00 0.00 C ATOM 1037 C GLN A 69 -0.274 6.084 -9.377 1.00 0.00 C ATOM 1038 O GLN A 69 0.833 6.189 -8.857 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.154 8.401 -9.717 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.492 9.466 -10.765 1.00 0.00 C ATOM 1041 CD GLN A 69 -0.225 10.189 -11.217 1.00 0.00 C ATOM 1042 OE1 GLN A 69 0.079 11.278 -10.727 1.00 0.00 O ATOM 1043 NE2 GLN A 69 0.534 9.650 -12.131 1.00 0.00 N ATOM 0 H GLN A 69 -2.771 6.578 -10.644 1.00 0.00 H new ATOM 0 HA GLN A 69 0.061 7.302 -11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.014 8.228 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.341 8.750 -9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.978 9.000 -11.622 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.199 10.184 -10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.282 8.749 -12.536 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.379 10.130 -12.440 1.00 0.00 H new ATOM 1052 N VAL A 70 -1.121 5.092 -9.105 1.00 0.00 N ATOM 1053 CA VAL A 70 -0.800 4.039 -8.155 1.00 0.00 C ATOM 1054 C VAL A 70 -0.081 2.921 -8.896 1.00 0.00 C ATOM 1055 O VAL A 70 -0.706 2.115 -9.588 1.00 0.00 O ATOM 1056 CB VAL A 70 -2.089 3.515 -7.502 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -1.856 2.118 -6.919 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -2.514 4.471 -6.381 1.00 0.00 C ATOM 0 H VAL A 70 -2.041 5.000 -9.536 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.154 4.426 -7.367 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.873 3.458 -8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.776 1.758 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.557 1.437 -7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.069 2.164 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.428 4.102 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.724 4.529 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.693 5.463 -6.797 1.00 0.00 H new ATOM 1068 N VAL A 71 1.239 2.908 -8.778 1.00 0.00 N ATOM 1069 CA VAL A 71 2.047 1.908 -9.478 1.00 0.00 C ATOM 1070 C VAL A 71 2.577 0.826 -8.533 1.00 0.00 C ATOM 1071 O VAL A 71 3.369 1.100 -7.632 1.00 0.00 O ATOM 1072 CB VAL A 71 3.225 2.589 -10.188 1.00 0.00 C ATOM 1073 CG1 VAL A 71 3.725 1.696 -11.328 1.00 0.00 C ATOM 1074 CG2 VAL A 71 2.776 3.939 -10.762 1.00 0.00 C ATOM 0 H VAL A 71 1.772 3.568 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 71 1.399 1.423 -10.208 1.00 0.00 H new ATOM 0 HB VAL A 71 4.029 2.750 -9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.561 2.182 -11.831 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.052 0.738 -10.923 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.918 1.532 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.616 4.418 -11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.968 3.780 -11.476 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.424 4.579 -9.953 1.00 0.00 H new ATOM 1084 N ILE A 72 2.143 -0.413 -8.778 1.00 0.00 N ATOM 1085 CA ILE A 72 2.578 -1.567 -7.987 1.00 0.00 C ATOM 1086 C ILE A 72 3.857 -2.139 -8.588 1.00 0.00 C ATOM 1087 O ILE A 72 3.818 -3.063 -9.404 1.00 0.00 O ATOM 1088 CB ILE A 72 1.477 -2.636 -7.982 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.150 -2.001 -7.548 1.00 0.00 C ATOM 1090 CG2 ILE A 72 1.848 -3.757 -7.004 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -0.994 -2.998 -7.757 1.00 0.00 C ATOM 0 H ILE A 72 1.486 -0.643 -9.523 1.00 0.00 H new ATOM 0 HA ILE A 72 2.771 -1.254 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 72 1.374 -3.051 -8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.202 -1.708 -6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.036 -1.094 -8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.064 -4.514 -7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.790 -4.211 -7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.954 -3.344 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.935 -2.543 -7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.052 -3.270 -8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.811 -3.892 -7.162 1.00 0.00 H new ATOM 1103 N GLU A 73 4.987 -1.570 -8.189 1.00 0.00 N ATOM 1104 CA GLU A 73 6.286 -2.004 -8.693 1.00 0.00 C ATOM 1105 C GLU A 73 6.636 -3.416 -8.215 1.00 0.00 C ATOM 1106 O GLU A 73 7.736 -3.903 -8.475 1.00 0.00 O ATOM 1107 CB GLU A 73 7.363 -1.019 -8.233 1.00 0.00 C ATOM 1108 CG GLU A 73 7.383 0.191 -9.173 1.00 0.00 C ATOM 1109 CD GLU A 73 8.325 1.266 -8.632 1.00 0.00 C ATOM 1110 OE1 GLU A 73 8.189 1.620 -7.472 1.00 0.00 O ATOM 1111 OE2 GLU A 73 9.165 1.723 -9.389 1.00 0.00 O ATOM 0 H GLU A 73 5.031 -0.805 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 73 6.238 -2.026 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.163 -0.696 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.338 -1.506 -8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.705 -0.118 -10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.377 0.597 -9.276 1.00 0.00 H new ATOM 1118 N LYS A 74 5.694 -4.069 -7.525 1.00 0.00 N ATOM 1119 CA LYS A 74 5.901 -5.420 -7.015 1.00 0.00 C ATOM 1120 C LYS A 74 4.867 -5.711 -5.937 1.00 0.00 C ATOM 1121 O LYS A 74 4.515 -4.834 -5.149 1.00 0.00 O ATOM 1122 CB LYS A 74 7.310 -5.585 -6.422 1.00 0.00 C ATOM 1123 CG LYS A 74 8.147 -6.500 -7.324 1.00 0.00 C ATOM 1124 CD LYS A 74 9.635 -6.174 -7.151 1.00 0.00 C ATOM 1125 CE LYS A 74 10.476 -7.384 -7.568 1.00 0.00 C ATOM 1126 NZ LYS A 74 10.104 -7.793 -8.953 1.00 0.00 N ATOM 0 H LYS A 74 4.778 -3.677 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 74 5.795 -6.119 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.792 -4.612 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.246 -6.007 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.962 -7.544 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.854 -6.367 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.901 -5.307 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.843 -5.914 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.537 -7.136 -7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.312 -8.210 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.846 -8.407 -9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.202 -8.310 -8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.004 -6.947 -9.550 1.00 0.00 H new ATOM 1140 N GLY A 75 4.381 -6.941 -5.919 1.00 0.00 N ATOM 1141 CA GLY A 75 3.378 -7.351 -4.945 1.00 0.00 C ATOM 1142 C GLY A 75 2.197 -7.991 -5.648 1.00 0.00 C ATOM 1143 O GLY A 75 1.348 -8.615 -5.012 1.00 0.00 O ATOM 0 H GLY A 75 4.664 -7.675 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.815 -8.055 -4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.044 -6.487 -4.370 1.00 0.00 H new ATOM 1147 N GLU A 76 2.159 -7.824 -6.971 1.00 0.00 N ATOM 1148 CA GLU A 76 1.081 -8.385 -7.787 1.00 0.00 C ATOM 1149 C GLU A 76 0.595 -9.718 -7.218 1.00 0.00 C ATOM 1150 O GLU A 76 -0.610 -9.938 -7.088 1.00 0.00 O ATOM 1151 CB GLU A 76 1.564 -8.596 -9.228 1.00 0.00 C ATOM 1152 CG GLU A 76 2.415 -7.402 -9.672 1.00 0.00 C ATOM 1153 CD GLU A 76 2.363 -7.260 -11.192 1.00 0.00 C ATOM 1154 OE1 GLU A 76 2.903 -8.121 -11.866 1.00 0.00 O ATOM 1155 OE2 GLU A 76 1.785 -6.293 -11.656 1.00 0.00 O ATOM 0 H GLU A 76 2.861 -7.306 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 76 0.252 -7.677 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.147 -9.514 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.709 -8.712 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.050 -6.489 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.446 -7.539 -9.346 1.00 0.00 H new ATOM 1162 N LEU A 77 1.538 -10.602 -6.881 1.00 0.00 N ATOM 1163 CA LEU A 77 1.189 -11.913 -6.331 1.00 0.00 C ATOM 1164 C LEU A 77 1.890 -12.163 -4.990 1.00 0.00 C ATOM 1165 O LEU A 77 1.272 -12.659 -4.047 1.00 0.00 O ATOM 1166 CB LEU A 77 1.583 -13.008 -7.329 1.00 0.00 C ATOM 1167 CG LEU A 77 1.085 -14.374 -6.839 1.00 0.00 C ATOM 1168 CD1 LEU A 77 -0.284 -14.675 -7.457 1.00 0.00 C ATOM 1169 CD2 LEU A 77 2.082 -15.461 -7.258 1.00 0.00 C ATOM 0 H LEU A 77 2.540 -10.436 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 77 0.113 -11.934 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.158 -12.788 -8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.666 -13.029 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 77 0.997 -14.358 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.636 -15.646 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.995 -13.903 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.197 -14.690 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.729 -16.432 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.170 -15.475 -8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.057 -15.250 -6.818 1.00 0.00 H new ATOM 1181 N GLY A 78 3.178 -11.827 -4.912 1.00 0.00 N ATOM 1182 CA GLY A 78 3.945 -12.032 -3.679 1.00 0.00 C ATOM 1183 C GLY A 78 3.339 -11.262 -2.508 1.00 0.00 C ATOM 1184 O GLY A 78 2.705 -10.223 -2.702 1.00 0.00 O ATOM 0 H GLY A 78 3.710 -11.415 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.975 -13.095 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.975 -11.711 -3.833 1.00 0.00 H new ATOM 1188 N ARG A 79 3.540 -11.777 -1.290 1.00 0.00 N ATOM 1189 CA ARG A 79 3.008 -11.121 -0.096 1.00 0.00 C ATOM 1190 C ARG A 79 3.634 -9.747 0.072 1.00 0.00 C ATOM 1191 O ARG A 79 3.001 -8.828 0.590 1.00 0.00 O ATOM 1192 CB ARG A 79 3.271 -11.968 1.149 1.00 0.00 C ATOM 1193 CG ARG A 79 2.227 -13.090 1.215 1.00 0.00 C ATOM 1194 CD ARG A 79 2.491 -13.970 2.436 1.00 0.00 C ATOM 1195 NE ARG A 79 1.452 -14.990 2.563 1.00 0.00 N ATOM 1196 CZ ARG A 79 1.513 -16.128 1.878 1.00 0.00 C ATOM 1197 NH1 ARG A 79 2.515 -16.946 2.057 1.00 0.00 N ATOM 1198 NH2 ARG A 79 0.568 -16.430 1.030 1.00 0.00 N ATOM 0 H ARG A 79 4.061 -12.635 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 79 1.931 -11.009 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.276 -12.389 1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.217 -11.349 2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.225 -12.664 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.267 -13.691 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.467 -14.446 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.518 -13.356 3.336 1.00 0.00 H new ATOM 0 HE ARG A 79 0.664 -14.826 3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.252 -16.712 2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.561 -17.819 1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.217 -15.793 0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.614 -17.303 0.504 1.00 0.00 H new ATOM 1212 N HIS A 80 4.866 -9.598 -0.405 1.00 0.00 N ATOM 1213 CA HIS A 80 5.537 -8.305 -0.330 1.00 0.00 C ATOM 1214 C HIS A 80 4.802 -7.361 -1.267 1.00 0.00 C ATOM 1215 O HIS A 80 4.098 -7.816 -2.167 1.00 0.00 O ATOM 1216 CB HIS A 80 7.011 -8.422 -0.753 1.00 0.00 C ATOM 1217 CG HIS A 80 7.448 -9.863 -0.714 1.00 0.00 C ATOM 1218 ND1 HIS A 80 7.723 -10.524 0.475 1.00 0.00 N ATOM 1219 CD2 HIS A 80 7.660 -10.783 -1.711 1.00 0.00 C ATOM 1220 CE1 HIS A 80 8.081 -11.783 0.164 1.00 0.00 C ATOM 1221 NE2 HIS A 80 8.059 -11.994 -1.155 1.00 0.00 N ATOM 0 H HIS A 80 5.412 -10.342 -0.840 1.00 0.00 H new ATOM 0 HA HIS A 80 5.521 -7.934 0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.142 -8.021 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.637 -7.826 -0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.536 -10.595 -2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.353 -12.532 0.892 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.286 -12.857 -1.648 1.00 0.00 H new ATOM 1229 N LYS A 81 4.919 -6.057 -1.053 1.00 0.00 N ATOM 1230 CA LYS A 81 4.203 -5.123 -1.904 1.00 0.00 C ATOM 1231 C LYS A 81 4.885 -3.766 -1.903 1.00 0.00 C ATOM 1232 O LYS A 81 5.461 -3.360 -0.899 1.00 0.00 O ATOM 1233 CB LYS A 81 2.752 -5.023 -1.401 1.00 0.00 C ATOM 1234 CG LYS A 81 2.285 -3.567 -1.320 1.00 0.00 C ATOM 1235 CD LYS A 81 0.868 -3.538 -0.742 1.00 0.00 C ATOM 1236 CE LYS A 81 0.278 -2.139 -0.891 1.00 0.00 C ATOM 1237 NZ LYS A 81 -0.868 -1.985 0.046 1.00 0.00 N ATOM 0 H LYS A 81 5.486 -5.633 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 81 4.204 -5.479 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.095 -5.580 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.674 -5.486 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.961 -2.988 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.299 -3.110 -2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.240 -4.264 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.888 -3.824 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.038 -1.387 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.053 -1.979 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.710 -1.678 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.063 -2.896 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.633 -1.273 0.767 1.00 0.00 H new ATOM 1251 N GLN A 82 4.811 -3.070 -3.036 1.00 0.00 N ATOM 1252 CA GLN A 82 5.417 -1.755 -3.160 1.00 0.00 C ATOM 1253 C GLN A 82 4.572 -0.913 -4.099 1.00 0.00 C ATOM 1254 O GLN A 82 4.490 -1.196 -5.295 1.00 0.00 O ATOM 1255 CB GLN A 82 6.856 -1.851 -3.691 1.00 0.00 C ATOM 1256 CG GLN A 82 7.365 -3.294 -3.598 1.00 0.00 C ATOM 1257 CD GLN A 82 8.792 -3.386 -4.131 1.00 0.00 C ATOM 1258 OE1 GLN A 82 9.326 -2.356 -4.734 1.00 0.00 O flip ATOM 1259 NE2 GLN A 82 9.442 -4.422 -3.989 1.00 0.00 N flip ATOM 0 H GLN A 82 4.337 -3.398 -3.878 1.00 0.00 H new ATOM 0 HA GLN A 82 5.459 -1.292 -2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.892 -1.512 -4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.507 -1.191 -3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.334 -3.632 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.713 -3.955 -4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.025 -5.225 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.397 -4.477 -4.342 1.00 0.00 H new ATOM 1268 N ILE A 83 3.925 0.104 -3.545 1.00 0.00 N ATOM 1269 CA ILE A 83 3.061 0.965 -4.337 1.00 0.00 C ATOM 1270 C ILE A 83 3.681 2.342 -4.498 1.00 0.00 C ATOM 1271 O ILE A 83 4.257 2.886 -3.562 1.00 0.00 O ATOM 1272 CB ILE A 83 1.699 1.108 -3.653 1.00 0.00 C ATOM 1273 CG1 ILE A 83 1.256 -0.243 -3.074 1.00 0.00 C ATOM 1274 CG2 ILE A 83 0.667 1.593 -4.671 1.00 0.00 C ATOM 1275 CD1 ILE A 83 0.875 -1.205 -4.204 1.00 0.00 C ATOM 0 H ILE A 83 3.982 0.351 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 83 2.936 0.512 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 83 1.781 1.832 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.061 -0.672 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.406 -0.100 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.303 1.695 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.976 2.559 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.591 0.871 -5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.563 -2.159 -3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.055 -0.780 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.736 -1.361 -4.854 1.00 0.00 H new ATOM 1287 N LYS A 84 3.549 2.903 -5.692 1.00 0.00 N ATOM 1288 CA LYS A 84 4.098 4.224 -5.966 1.00 0.00 C ATOM 1289 C LYS A 84 2.970 5.235 -6.128 1.00 0.00 C ATOM 1290 O LYS A 84 2.208 5.177 -7.090 1.00 0.00 O ATOM 1291 CB LYS A 84 4.950 4.180 -7.239 1.00 0.00 C ATOM 1292 CG LYS A 84 6.120 5.166 -7.119 1.00 0.00 C ATOM 1293 CD LYS A 84 5.751 6.500 -7.784 1.00 0.00 C ATOM 1294 CE LYS A 84 5.312 7.509 -6.717 1.00 0.00 C ATOM 1295 NZ LYS A 84 6.474 8.349 -6.318 1.00 0.00 N ATOM 0 H LYS A 84 3.070 2.468 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 84 4.726 4.528 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.329 3.170 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.338 4.432 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.364 5.328 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.009 4.748 -7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.606 6.890 -8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.948 6.347 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.511 8.139 -7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.913 6.985 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.666 8.217 -5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.311 8.068 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.259 9.350 -6.502 1.00 0.00 H new ATOM 1309 N ILE A 85 2.866 6.153 -5.171 1.00 0.00 N ATOM 1310 CA ILE A 85 1.821 7.171 -5.206 1.00 0.00 C ATOM 1311 C ILE A 85 2.361 8.467 -5.813 1.00 0.00 C ATOM 1312 O ILE A 85 3.035 9.248 -5.139 1.00 0.00 O ATOM 1313 CB ILE A 85 1.294 7.429 -3.784 1.00 0.00 C ATOM 1314 CG1 ILE A 85 0.266 6.349 -3.416 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.625 8.806 -3.712 1.00 0.00 C ATOM 1316 CD1 ILE A 85 0.993 5.044 -3.067 1.00 0.00 C ATOM 0 H ILE A 85 3.489 6.213 -4.366 1.00 0.00 H new ATOM 0 HA ILE A 85 1.001 6.813 -5.828 1.00 0.00 H new ATOM 0 HB ILE A 85 2.130 7.399 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.336 6.679 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.418 6.185 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.255 8.979 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.351 9.577 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.208 8.843 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.262 4.279 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.576 4.711 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.659 5.213 -2.221 1.00 0.00 H new ATOM 1328 N ILE A 86 2.062 8.684 -7.092 1.00 0.00 N ATOM 1329 CA ILE A 86 2.519 9.884 -7.787 1.00 0.00 C ATOM 1330 C ILE A 86 1.553 11.042 -7.550 1.00 0.00 C ATOM 1331 O ILE A 86 0.350 10.832 -7.389 1.00 0.00 O ATOM 1332 CB ILE A 86 2.629 9.615 -9.293 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.441 8.335 -9.529 1.00 0.00 C ATOM 1334 CG2 ILE A 86 3.322 10.798 -9.978 1.00 0.00 C ATOM 1335 CD1 ILE A 86 3.278 7.879 -10.982 1.00 0.00 C ATOM 0 H ILE A 86 1.508 8.048 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 86 3.500 10.152 -7.394 1.00 0.00 H new ATOM 0 HB ILE A 86 1.630 9.491 -9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.494 8.515 -9.311 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.105 7.550 -8.852 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.399 10.605 -11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.740 11.705 -9.814 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.320 10.927 -9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.856 6.970 -11.145 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.226 7.681 -11.185 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.636 8.661 -11.651 1.00 0.00 H new ATOM 1347 N ASN A 87 2.093 12.259 -7.535 1.00 0.00 N ATOM 1348 CA ASN A 87 1.282 13.455 -7.320 1.00 0.00 C ATOM 1349 C ASN A 87 0.322 13.252 -6.147 1.00 0.00 C ATOM 1350 O ASN A 87 -0.896 13.357 -6.302 1.00 0.00 O ATOM 1351 CB ASN A 87 0.493 13.786 -8.594 1.00 0.00 C ATOM 1352 CG ASN A 87 -0.150 15.168 -8.484 1.00 0.00 C ATOM 1353 OD1 ASN A 87 0.029 15.887 -7.408 1.00 0.00 O flip ATOM 1354 ND2 ASN A 87 -0.838 15.604 -9.407 1.00 0.00 N flip ATOM 0 H ASN A 87 3.087 12.443 -7.669 1.00 0.00 H new ATOM 0 HA ASN A 87 1.945 14.287 -7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.157 13.756 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.277 13.032 -8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.978 15.043 -10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.268 16.526 -9.331 1.00 0.00 H new ATOM 1361 N PRO A 88 0.852 12.960 -4.986 1.00 0.00 N ATOM 1362 CA PRO A 88 0.039 12.731 -3.762 1.00 0.00 C ATOM 1363 C PRO A 88 -1.038 13.798 -3.581 1.00 0.00 C ATOM 1364 O PRO A 88 -0.752 14.995 -3.630 1.00 0.00 O ATOM 1365 CB PRO A 88 1.051 12.784 -2.606 1.00 0.00 C ATOM 1366 CG PRO A 88 2.398 13.048 -3.210 1.00 0.00 C ATOM 1367 CD PRO A 88 2.285 12.815 -4.716 1.00 0.00 C ATOM 0 HA PRO A 88 -0.495 11.782 -3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.786 13.569 -1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.054 11.844 -2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.716 14.070 -3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.148 12.387 -2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.873 13.540 -5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.647 11.826 -4.996 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.273 13.352 -3.366 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.390 14.268 -3.168 1.00 0.00 C ATOM 1377 C GLN A 89 -3.850 14.211 -1.716 1.00 0.00 C ATOM 1378 O GLN A 89 -4.329 15.202 -1.164 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.549 13.884 -4.094 1.00 0.00 C ATOM 1380 CG GLN A 89 -5.498 15.077 -4.260 1.00 0.00 C ATOM 1381 CD GLN A 89 -4.853 16.146 -5.138 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -4.618 15.919 -6.325 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -4.553 17.306 -4.620 1.00 0.00 N ATOM 0 H GLN A 89 -2.524 12.364 -3.325 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.067 15.282 -3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.163 13.576 -5.066 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.090 13.032 -3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.435 14.746 -4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.741 15.496 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.749 17.491 -3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.123 18.027 -5.199 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.676 13.044 -1.101 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.047 12.850 0.292 1.00 0.00 C ATOM 1394 C GLN A 90 -3.095 11.849 0.941 1.00 0.00 C ATOM 1395 O GLN A 90 -2.974 10.711 0.486 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.491 12.343 0.397 1.00 0.00 C ATOM 1397 CG GLN A 90 -5.900 12.251 1.873 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.377 12.598 2.040 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -7.811 13.683 1.648 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -8.181 11.738 2.604 1.00 0.00 N ATOM 0 H GLN A 90 -3.279 12.218 -1.550 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.977 13.806 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.163 13.016 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.579 11.365 -0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.712 11.244 2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.291 12.931 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.821 10.840 2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.169 11.964 2.720 1.00 0.00 H new ATOM 1409 N ILE A 91 -2.424 12.285 1.999 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.476 11.427 2.711 1.00 0.00 C ATOM 1411 C ILE A 91 -2.008 11.104 4.110 1.00 0.00 C ATOM 1412 O ILE A 91 -2.125 11.988 4.960 1.00 0.00 O ATOM 1413 CB ILE A 91 -0.105 12.118 2.808 1.00 0.00 C ATOM 1414 CG1 ILE A 91 0.749 11.436 3.889 1.00 0.00 C ATOM 1415 CG2 ILE A 91 -0.287 13.598 3.160 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.230 11.548 3.519 1.00 0.00 C ATOM 0 H ILE A 91 -2.516 13.225 2.385 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.359 10.496 2.157 1.00 0.00 H new ATOM 0 HB ILE A 91 0.398 12.037 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.569 11.903 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.465 10.388 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.689 14.079 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.880 14.086 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.800 13.684 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.834 11.064 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.403 11.061 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.509 12.599 3.447 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.333 9.858 4.358 1.00 0.00 N ATOM 1429 CA PRO A 92 -2.866 9.420 5.676 1.00 0.00 C ATOM 1430 C PRO A 92 -1.811 9.498 6.781 1.00 0.00 C ATOM 1431 O PRO A 92 -0.611 9.488 6.509 1.00 0.00 O ATOM 1432 CB PRO A 92 -3.332 7.973 5.460 1.00 0.00 C ATOM 1433 CG PRO A 92 -3.065 7.626 4.026 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.224 8.744 3.412 1.00 0.00 C ATOM 0 HA PRO A 92 -3.676 10.070 6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.798 7.294 6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.393 7.873 5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.539 6.674 3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.002 7.513 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.187 8.434 3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.597 9.024 2.427 1.00 0.00 H new ATOM 1442 N PRO A 93 -2.250 9.577 8.013 1.00 0.00 N ATOM 1443 CA PRO A 93 -1.345 9.665 9.194 1.00 0.00 C ATOM 1444 C PRO A 93 -0.293 8.558 9.189 1.00 0.00 C ATOM 1445 O PRO A 93 0.796 8.726 9.734 1.00 0.00 O ATOM 1446 CB PRO A 93 -2.265 9.524 10.414 1.00 0.00 C ATOM 1447 CG PRO A 93 -3.664 9.347 9.907 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.663 9.591 8.398 1.00 0.00 C ATOM 0 HA PRO A 93 -0.790 10.603 9.195 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.967 8.670 11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.197 10.407 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.024 8.342 10.129 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.339 10.044 10.404 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.223 8.817 7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.130 10.545 8.152 1.00 0.00 H new ATOM 1456 N GLU A 94 -0.632 7.430 8.571 1.00 0.00 N ATOM 1457 CA GLU A 94 0.285 6.296 8.496 1.00 0.00 C ATOM 1458 C GLU A 94 1.630 6.723 7.914 1.00 0.00 C ATOM 1459 O GLU A 94 2.672 6.585 8.560 1.00 0.00 O ATOM 1460 CB GLU A 94 -0.319 5.201 7.615 1.00 0.00 C ATOM 1461 CG GLU A 94 0.583 3.963 7.640 1.00 0.00 C ATOM 1462 CD GLU A 94 -0.056 2.833 6.835 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -1.077 2.327 7.271 1.00 0.00 O ATOM 1464 OE2 GLU A 94 0.485 2.491 5.798 1.00 0.00 O ATOM 0 H GLU A 94 -1.532 7.277 8.116 1.00 0.00 H new ATOM 0 HA GLU A 94 0.443 5.917 9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.317 4.943 7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.429 5.562 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.561 4.207 7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.744 3.641 8.669 1.00 0.00 H new ATOM 1471 N VAL A 95 1.595 7.243 6.689 1.00 0.00 N ATOM 1472 CA VAL A 95 2.812 7.692 6.017 1.00 0.00 C ATOM 1473 C VAL A 95 3.254 9.031 6.588 1.00 0.00 C ATOM 1474 O VAL A 95 4.419 9.418 6.472 1.00 0.00 O ATOM 1475 CB VAL A 95 2.561 7.828 4.509 1.00 0.00 C ATOM 1476 CG1 VAL A 95 3.889 8.059 3.782 1.00 0.00 C ATOM 1477 CG2 VAL A 95 1.912 6.544 3.982 1.00 0.00 C ATOM 0 H VAL A 95 0.741 7.363 6.144 1.00 0.00 H new ATOM 0 HA VAL A 95 3.598 6.955 6.181 1.00 0.00 H new ATOM 0 HB VAL A 95 1.898 8.675 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.706 8.155 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.353 8.972 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.554 7.214 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.733 6.640 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.576 5.699 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.964 6.378 4.495 1.00 0.00 H new ATOM 1487 N ALA A 96 2.314 9.731 7.210 1.00 0.00 N ATOM 1488 CA ALA A 96 2.611 11.027 7.804 1.00 0.00 C ATOM 1489 C ALA A 96 3.384 10.858 9.108 1.00 0.00 C ATOM 1490 O ALA A 96 4.200 11.701 9.464 1.00 0.00 O ATOM 1491 CB ALA A 96 1.316 11.800 8.066 1.00 0.00 C ATOM 0 H ALA A 96 1.347 9.426 7.316 1.00 0.00 H new ATOM 0 HA ALA A 96 3.227 11.589 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.553 12.767 8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.787 11.953 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.685 11.232 8.749 1.00 0.00 H new ATOM 1497 N ALA A 97 3.118 9.764 9.817 1.00 0.00 N ATOM 1498 CA ALA A 97 3.792 9.501 11.086 1.00 0.00 C ATOM 1499 C ALA A 97 5.287 9.263 10.880 1.00 0.00 C ATOM 1500 O ALA A 97 6.076 9.380 11.819 1.00 0.00 O ATOM 1501 CB ALA A 97 3.169 8.274 11.756 1.00 0.00 C ATOM 0 H ALA A 97 2.446 9.050 9.537 1.00 0.00 H new ATOM 0 HA ALA A 97 3.668 10.377 11.723 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.674 8.080 12.702 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.111 8.458 11.941 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.278 7.408 11.103 1.00 0.00 H new ATOM 1507 N LEU A 98 5.669 8.926 9.650 1.00 0.00 N ATOM 1508 CA LEU A 98 7.071 8.667 9.339 1.00 0.00 C ATOM 1509 C LEU A 98 7.703 9.858 8.626 1.00 0.00 C ATOM 1510 O LEU A 98 8.926 10.006 8.618 1.00 0.00 O ATOM 1511 CB LEU A 98 7.188 7.422 8.454 1.00 0.00 C ATOM 1512 CG LEU A 98 6.881 6.168 9.281 1.00 0.00 C ATOM 1513 CD1 LEU A 98 6.719 4.964 8.349 1.00 0.00 C ATOM 1514 CD2 LEU A 98 8.030 5.900 10.261 1.00 0.00 C ATOM 0 H LEU A 98 5.033 8.827 8.859 1.00 0.00 H new ATOM 0 HA LEU A 98 7.601 8.503 10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.496 7.494 7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.192 7.356 8.034 1.00 0.00 H new ATOM 0 HG LEU A 98 5.957 6.325 9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.501 4.074 8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.899 5.149 7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.641 4.811 7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.808 5.008 10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.955 5.748 9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.145 6.754 10.929 1.00 0.00 H new ATOM 1526 N ILE A 99 6.867 10.702 8.024 1.00 0.00 N ATOM 1527 CA ILE A 99 7.365 11.873 7.304 1.00 0.00 C ATOM 1528 C ILE A 99 7.266 13.130 8.168 1.00 0.00 C ATOM 1529 O ILE A 99 8.095 14.035 8.054 1.00 0.00 O ATOM 1530 CB ILE A 99 6.569 12.064 6.008 1.00 0.00 C ATOM 1531 CG1 ILE A 99 6.969 10.969 5.012 1.00 0.00 C ATOM 1532 CG2 ILE A 99 6.875 13.442 5.406 1.00 0.00 C ATOM 1533 CD1 ILE A 99 6.066 11.036 3.778 1.00 0.00 C ATOM 0 H ILE A 99 5.852 10.599 8.020 1.00 0.00 H new ATOM 0 HA ILE A 99 8.415 11.707 7.063 1.00 0.00 H new ATOM 0 HB ILE A 99 5.502 11.999 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.011 11.095 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.886 9.989 5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.306 13.571 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.596 14.220 6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.940 13.515 5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.354 10.256 3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.028 10.889 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.171 12.011 3.303 1.00 0.00 H new ATOM 1545 N ASN A 100 6.258 13.179 9.031 1.00 0.00 N ATOM 1546 CA ASN A 100 6.073 14.333 9.907 1.00 0.00 C ATOM 1547 C ASN A 100 7.139 14.351 10.997 1.00 0.00 C ATOM 1548 O ASN A 100 7.293 15.347 11.703 1.00 0.00 O ATOM 1549 CB ASN A 100 4.694 14.281 10.566 1.00 0.00 C ATOM 1550 CG ASN A 100 3.591 14.484 9.529 1.00 0.00 C ATOM 1551 OD1 ASN A 100 2.413 14.303 9.836 1.00 0.00 O ATOM 1552 ND2 ASN A 100 3.900 14.848 8.314 1.00 0.00 N ATOM 0 H ASN A 100 5.562 12.442 9.144 1.00 0.00 H new ATOM 0 HA ASN A 100 6.157 15.235 9.301 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.560 13.321 11.064 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.624 15.051 11.334 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.165 14.982 7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.876 14.998 8.059 1.00 0.00 H new ATOM 1559 N LEU A 101 7.859 13.237 11.127 1.00 0.00 N ATOM 1560 CA LEU A 101 8.910 13.109 12.138 1.00 0.00 C ATOM 1561 C LEU A 101 8.298 12.991 13.526 1.00 0.00 C ATOM 1562 O LEU A 101 8.494 11.985 14.208 1.00 0.00 O ATOM 1563 CB LEU A 101 9.860 14.313 12.088 1.00 0.00 C ATOM 1564 CG LEU A 101 11.152 13.983 12.848 1.00 0.00 C ATOM 1565 CD1 LEU A 101 12.171 13.351 11.896 1.00 0.00 C ATOM 1566 CD2 LEU A 101 11.737 15.271 13.438 1.00 0.00 C ATOM 0 H LEU A 101 7.734 12.409 10.545 1.00 0.00 H new ATOM 0 HA LEU A 101 9.480 12.205 11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 101 10.090 14.565 11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.380 15.186 12.529 1.00 0.00 H new ATOM 0 HG LEU A 101 10.927 13.279 13.650 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.085 13.120 12.443 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.757 12.434 11.477 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.397 14.049 11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.655 15.040 13.978 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.957 15.973 12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.016 15.718 14.122 1.00 0.00 H new ATOM 1578 N GLU A 102 7.562 14.022 13.942 1.00 0.00 N ATOM 1579 CA GLU A 102 6.934 14.020 15.258 1.00 0.00 C ATOM 1580 C GLU A 102 7.967 13.666 16.323 1.00 0.00 C ATOM 1581 O GLU A 102 8.702 14.535 16.795 1.00 0.00 O ATOM 1582 CB GLU A 102 5.777 13.011 15.295 1.00 0.00 C ATOM 1583 CG GLU A 102 4.481 13.686 14.825 1.00 0.00 C ATOM 1584 CD GLU A 102 3.962 14.660 15.886 1.00 0.00 C ATOM 1585 OE1 GLU A 102 4.430 14.597 17.013 1.00 0.00 O ATOM 1586 OE2 GLU A 102 3.100 15.456 15.553 1.00 0.00 O ATOM 0 H GLU A 102 7.388 14.862 13.390 1.00 0.00 H new ATOM 0 HA GLU A 102 6.537 15.015 15.460 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.006 12.158 14.656 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.651 12.626 16.307 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.661 14.219 13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.725 12.929 14.619 1.00 0.00 H new ATOM 1593 N HIS A 103 8.030 12.382 16.681 1.00 0.00 N ATOM 1594 CA HIS A 103 8.986 11.918 17.680 1.00 0.00 C ATOM 1595 C HIS A 103 8.873 12.747 18.960 1.00 0.00 C ATOM 1596 O HIS A 103 9.777 12.747 19.795 1.00 0.00 O ATOM 1597 CB HIS A 103 10.408 12.012 17.109 1.00 0.00 C ATOM 1598 CG HIS A 103 11.310 11.049 17.837 1.00 0.00 C ATOM 1599 ND1 HIS A 103 11.238 9.677 17.647 1.00 0.00 N ATOM 1600 CD2 HIS A 103 12.309 11.247 18.758 1.00 0.00 C ATOM 1601 CE1 HIS A 103 12.167 9.109 18.438 1.00 0.00 C ATOM 1602 NE2 HIS A 103 12.849 10.021 19.135 1.00 0.00 N ATOM 0 H HIS A 103 7.433 11.651 16.295 1.00 0.00 H new ATOM 0 HA HIS A 103 8.764 10.880 17.928 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.399 11.783 16.043 1.00 0.00 H new ATOM 0 HB3 HIS A 103 10.786 13.029 17.213 1.00 0.00 H new ATOM 0 HD2 HIS A 103 12.627 12.208 19.133 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.340 8.045 18.501 1.00 0.00 H new ATOM 0 HE2 HIS A 103 13.604 9.855 19.801 1.00 0.00 H new ATOM 1610 N HIS A 104 7.750 13.451 19.102 1.00 0.00 N ATOM 1611 CA HIS A 104 7.510 14.286 20.275 1.00 0.00 C ATOM 1612 C HIS A 104 7.144 13.423 21.482 1.00 0.00 C ATOM 1613 O HIS A 104 6.862 12.233 21.342 1.00 0.00 O ATOM 1614 CB HIS A 104 6.373 15.268 19.975 1.00 0.00 C ATOM 1615 CG HIS A 104 6.252 16.282 21.083 1.00 0.00 C ATOM 1616 ND1 HIS A 104 7.351 16.757 21.781 1.00 0.00 N ATOM 1617 CD2 HIS A 104 5.162 16.921 21.619 1.00 0.00 C ATOM 1618 CE1 HIS A 104 6.902 17.641 22.690 1.00 0.00 C ATOM 1619 NE2 HIS A 104 5.575 17.778 22.634 1.00 0.00 N ATOM 0 H HIS A 104 6.993 13.459 18.418 1.00 0.00 H new ATOM 0 HA HIS A 104 8.420 14.838 20.508 1.00 0.00 H new ATOM 0 HB2 HIS A 104 6.561 15.774 19.028 1.00 0.00 H new ATOM 0 HB3 HIS A 104 5.434 14.725 19.865 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.139 16.780 21.301 1.00 0.00 H new ATOM 0 HE1 HIS A 104 7.537 18.175 23.381 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.990 18.382 23.212 1.00 0.00 H new ATOM 1627 N HIS A 105 7.150 14.033 22.665 1.00 0.00 N ATOM 1628 CA HIS A 105 6.815 13.316 23.891 1.00 0.00 C ATOM 1629 C HIS A 105 5.366 12.832 23.854 1.00 0.00 C ATOM 1630 O HIS A 105 4.644 13.078 22.886 1.00 0.00 O ATOM 1631 CB HIS A 105 7.013 14.234 25.098 1.00 0.00 C ATOM 1632 CG HIS A 105 8.451 14.668 25.170 1.00 0.00 C ATOM 1633 ND1 HIS A 105 8.988 15.591 24.286 1.00 0.00 N ATOM 1634 CD2 HIS A 105 9.473 14.324 26.020 1.00 0.00 C ATOM 1635 CE1 HIS A 105 10.279 15.771 24.622 1.00 0.00 C ATOM 1636 NE2 HIS A 105 10.625 15.021 25.672 1.00 0.00 N ATOM 0 H HIS A 105 7.382 15.017 22.800 1.00 0.00 H new ATOM 0 HA HIS A 105 7.473 12.451 23.975 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.363 15.105 25.016 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.733 13.713 26.014 1.00 0.00 H new ATOM 0 HD2 HIS A 105 9.394 13.619 26.835 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.952 16.440 24.106 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.539 14.970 26.122 1.00 0.00 H new ATOM 1644 N HIS A 106 4.950 12.142 24.915 1.00 0.00 N ATOM 1645 CA HIS A 106 3.587 11.624 25.002 1.00 0.00 C ATOM 1646 C HIS A 106 2.690 12.590 25.783 1.00 0.00 C ATOM 1647 O HIS A 106 2.743 13.804 25.575 1.00 0.00 O ATOM 1648 CB HIS A 106 3.596 10.246 25.677 1.00 0.00 C ATOM 1649 CG HIS A 106 2.329 9.505 25.334 1.00 0.00 C ATOM 1650 ND1 HIS A 106 1.387 8.886 26.119 1.00 0.00 N flip ATOM 1651 CD2 HIS A 106 1.900 9.338 24.027 1.00 0.00 C flip ATOM 1652 CE1 HIS A 106 0.389 8.346 25.315 1.00 0.00 C flip ATOM 1653 NE2 HIS A 106 0.746 8.646 24.064 1.00 0.00 N flip ATOM 0 H HIS A 106 5.535 11.930 25.723 1.00 0.00 H new ATOM 0 HA HIS A 106 3.186 11.525 23.993 1.00 0.00 H new ATOM 0 HB2 HIS A 106 4.464 9.674 25.348 1.00 0.00 H new ATOM 0 HB3 HIS A 106 3.681 10.360 26.758 1.00 0.00 H new ATOM 0 HD2 HIS A 106 2.400 9.698 23.140 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.487 7.801 25.634 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.210 8.383 23.237 1.00 0.00 H new ATOM 1661 N HIS A 107 1.864 12.043 26.676 1.00 0.00 N ATOM 1662 CA HIS A 107 0.956 12.859 27.473 1.00 0.00 C ATOM 1663 C HIS A 107 0.579 12.121 28.758 1.00 0.00 C ATOM 1664 O HIS A 107 -0.555 11.667 28.920 1.00 0.00 O ATOM 1665 CB HIS A 107 -0.302 13.178 26.655 1.00 0.00 C ATOM 1666 CG HIS A 107 -1.223 14.066 27.447 1.00 0.00 C ATOM 1667 ND1 HIS A 107 -0.951 15.407 27.665 1.00 0.00 N ATOM 1668 CD2 HIS A 107 -2.422 13.821 28.070 1.00 0.00 C ATOM 1669 CE1 HIS A 107 -1.965 15.914 28.390 1.00 0.00 C ATOM 1670 NE2 HIS A 107 -2.888 14.988 28.665 1.00 0.00 N ATOM 0 H HIS A 107 1.807 11.042 26.863 1.00 0.00 H new ATOM 0 HA HIS A 107 1.452 13.792 27.741 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.024 13.669 25.722 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.815 12.254 26.388 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.927 12.866 28.094 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -2.025 16.944 28.710 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -3.749 15.111 29.197 1.00 0.00 H new ATOM 1678 N HIS A 108 1.544 12.005 29.665 1.00 0.00 N ATOM 1679 CA HIS A 108 1.318 11.322 30.934 1.00 0.00 C ATOM 1680 C HIS A 108 0.438 12.172 31.847 1.00 0.00 C ATOM 1681 CB HIS A 108 2.663 11.044 31.615 1.00 0.00 C ATOM 1682 CG HIS A 108 2.437 10.517 33.008 1.00 0.00 C ATOM 1683 ND1 HIS A 108 2.008 9.222 33.249 1.00 0.00 N ATOM 1684 CD2 HIS A 108 2.580 11.100 34.243 1.00 0.00 C ATOM 1685 CE1 HIS A 108 1.911 9.069 34.583 1.00 0.00 C ATOM 1686 NE2 HIS A 108 2.248 10.185 35.236 1.00 0.00 N ATOM 0 H HIS A 108 2.487 12.374 29.545 1.00 0.00 H new ATOM 0 HA HIS A 108 0.808 10.378 30.741 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.232 10.320 31.032 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.255 11.958 31.655 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.902 12.116 34.417 1.00 0.00 H new ATOM 0 HE1 HIS A 108 1.599 8.155 35.067 1.00 0.00 H new ATOM 0 HE2 HIS A 108 2.259 10.334 36.245 1.00 0.00 H new TER 1694 HIS A 108