USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 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 52 THR OG1 : rot 2:sc= 0.538 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 159:sc= -3.19 (180deg=-5.59!) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.536! C(o=-2.8!,f=-12!) USER MOD Set 2.2: A 30 SER OG : rot -63:sc= -2.23! USER MOD Set 3.1: A 1 MET N :NH3+ -168:sc= 0.808 (180deg=0.461) USER MOD Set 3.2: A 25 TYR OH : rot -95:sc= 0.00397 USER MOD Set 4.1: A 2 LYS NZ :NH3+ 142:sc= -0.398 (180deg=-1.9) USER MOD Set 4.2: A 48 HIS : no HD1:sc= -0.202 K(o=-0.6,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 144:sc= -0.38 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -0.988 (180deg=-1.46) USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= -0.0794 (180deg=-0.576) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.0503 (180deg=-0.633) USER MOD Single : A 45 SER OG : rot 130:sc= 0.0324 USER MOD Single : A 46 MET CE :methyl 142:sc= -0.141 (180deg=-1.15) USER MOD Single : A 54 THR OG1 : rot 110:sc= -0.656 USER MOD Single : A 56 LYS NZ :NH3+ -107:sc= 0.225 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-1) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 71 HIS : no HD1:sc= 0.797 K(o=0.8,f=-7.4!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 74 HIS : no HD1:sc=-0.00941 X(o=-0.0094,f=-0.0094) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.293 -2.312 -2.565 1.00 0.00 N ATOM 2 CA MET A 1 11.344 -1.990 -1.111 1.00 0.00 C ATOM 3 C MET A 1 10.631 -0.664 -0.868 1.00 0.00 C ATOM 4 O MET A 1 9.586 -0.619 -0.251 1.00 0.00 O ATOM 5 CB MET A 1 12.802 -1.872 -0.663 1.00 0.00 C ATOM 6 CG MET A 1 12.863 -1.568 0.837 1.00 0.00 C ATOM 7 SD MET A 1 14.593 -1.509 1.366 1.00 0.00 S ATOM 8 CE MET A 1 14.290 -1.214 3.125 1.00 0.00 C ATOM 0 H1 MET A 1 11.591 -3.297 -2.713 1.00 0.00 H new ATOM 0 H2 MET A 1 10.321 -2.188 -2.914 1.00 0.00 H new ATOM 0 H3 MET A 1 11.931 -1.675 -3.084 1.00 0.00 H new ATOM 0 HA MET A 1 10.855 -2.782 -0.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.334 -2.799 -0.877 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.301 -1.082 -1.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.374 -0.617 1.047 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.325 -2.333 1.397 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.242 -1.143 3.651 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.737 -0.283 3.248 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.708 -2.038 3.537 1.00 0.00 H new ATOM 20 N LYS A 2 11.194 0.419 -1.350 1.00 0.00 N ATOM 21 CA LYS A 2 10.561 1.761 -1.152 1.00 0.00 C ATOM 22 C LYS A 2 10.184 2.359 -2.506 1.00 0.00 C ATOM 23 O LYS A 2 10.953 2.333 -3.445 1.00 0.00 O ATOM 24 CB LYS A 2 11.552 2.691 -0.445 1.00 0.00 C ATOM 25 CG LYS A 2 10.818 3.941 0.074 1.00 0.00 C ATOM 26 CD LYS A 2 10.193 3.655 1.446 1.00 0.00 C ATOM 27 CE LYS A 2 9.537 4.926 1.982 1.00 0.00 C ATOM 28 NZ LYS A 2 8.928 4.638 3.309 1.00 0.00 N ATOM 0 H LYS A 2 12.069 0.430 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 2 9.663 1.650 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.028 2.167 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.345 2.984 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.515 4.776 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.043 4.236 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.453 2.859 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.958 3.307 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.277 5.721 2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.775 5.277 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.062 5.456 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.911 4.454 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.385 3.802 3.727 1.00 0.00 H new ATOM 42 N GLY A 3 9.000 2.897 -2.607 1.00 0.00 N ATOM 43 CA GLY A 3 8.565 3.497 -3.896 1.00 0.00 C ATOM 44 C GLY A 3 7.332 4.371 -3.666 1.00 0.00 C ATOM 45 O GLY A 3 7.194 5.005 -2.639 1.00 0.00 O ATOM 0 H GLY A 3 8.316 2.946 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.372 4.094 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.337 2.711 -4.616 1.00 0.00 H new ATOM 49 N LYS A 4 6.435 4.410 -4.624 1.00 0.00 N ATOM 50 CA LYS A 4 5.200 5.245 -4.486 1.00 0.00 C ATOM 51 C LYS A 4 3.966 4.424 -4.858 1.00 0.00 C ATOM 52 O LYS A 4 4.012 3.569 -5.718 1.00 0.00 O ATOM 53 CB LYS A 4 5.303 6.451 -5.418 1.00 0.00 C ATOM 54 CG LYS A 4 6.367 7.413 -4.889 1.00 0.00 C ATOM 55 CD LYS A 4 6.491 8.606 -5.839 1.00 0.00 C ATOM 56 CE LYS A 4 7.533 9.585 -5.296 1.00 0.00 C ATOM 57 NZ LYS A 4 7.648 10.749 -6.220 1.00 0.00 N ATOM 0 H LYS A 4 6.507 3.895 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 4 5.107 5.579 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.561 6.125 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.340 6.957 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.098 7.756 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.326 6.901 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.781 8.264 -6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.527 9.104 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.246 9.924 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.498 9.088 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.356 11.416 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.941 10.417 -7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.727 11.227 -6.292 1.00 0.00 H new ATOM 71 N VAL A 5 2.862 4.681 -4.209 1.00 0.00 N ATOM 72 CA VAL A 5 1.626 3.916 -4.520 1.00 0.00 C ATOM 73 C VAL A 5 1.031 4.418 -5.840 1.00 0.00 C ATOM 74 O VAL A 5 0.584 5.543 -5.949 1.00 0.00 O ATOM 75 CB VAL A 5 0.622 4.100 -3.377 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.124 5.552 -3.336 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.567 3.157 -3.579 1.00 0.00 C ATOM 0 H VAL A 5 2.765 5.387 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 5 1.859 2.856 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 5 1.116 3.868 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.589 5.669 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.969 6.222 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.363 5.797 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.279 3.290 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.054 3.383 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.216 2.125 -3.589 1.00 0.00 H new ATOM 87 N VAL A 6 1.036 3.589 -6.847 1.00 0.00 N ATOM 88 CA VAL A 6 0.484 4.001 -8.166 1.00 0.00 C ATOM 89 C VAL A 6 -1.041 3.925 -8.147 1.00 0.00 C ATOM 90 O VAL A 6 -1.717 4.713 -8.776 1.00 0.00 O ATOM 91 CB VAL A 6 1.038 3.075 -9.251 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.664 1.627 -8.927 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.442 3.458 -10.607 1.00 0.00 C ATOM 0 H VAL A 6 1.402 2.637 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 6 0.777 5.030 -8.376 1.00 0.00 H new ATOM 0 HB VAL A 6 2.123 3.174 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.059 0.968 -9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.088 1.349 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.421 1.531 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.838 2.797 -11.378 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.643 3.361 -10.568 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.706 4.489 -10.842 1.00 0.00 H new ATOM 103 N SER A 7 -1.597 2.977 -7.438 1.00 0.00 N ATOM 104 CA SER A 7 -3.085 2.859 -7.399 1.00 0.00 C ATOM 105 C SER A 7 -3.536 2.298 -6.050 1.00 0.00 C ATOM 106 O SER A 7 -2.875 1.474 -5.452 1.00 0.00 O ATOM 107 CB SER A 7 -3.548 1.922 -8.514 1.00 0.00 C ATOM 108 OG SER A 7 -4.959 1.771 -8.439 1.00 0.00 O ATOM 0 H SER A 7 -1.089 2.284 -6.888 1.00 0.00 H new ATOM 0 HA SER A 7 -3.522 3.848 -7.538 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.264 2.325 -9.486 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.060 0.952 -8.417 1.00 0.00 H new ATOM 0 HG SER A 7 -5.262 1.172 -9.153 1.00 0.00 H new ATOM 114 N TYR A 8 -4.673 2.737 -5.586 1.00 0.00 N ATOM 115 CA TYR A 8 -5.205 2.236 -4.292 1.00 0.00 C ATOM 116 C TYR A 8 -6.692 2.571 -4.211 1.00 0.00 C ATOM 117 O TYR A 8 -7.062 3.696 -3.942 1.00 0.00 O ATOM 118 CB TYR A 8 -4.456 2.893 -3.126 1.00 0.00 C ATOM 119 CG TYR A 8 -5.141 2.535 -1.824 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.051 1.232 -1.320 1.00 0.00 C ATOM 121 CD2 TYR A 8 -5.878 3.502 -1.129 1.00 0.00 C ATOM 122 CE1 TYR A 8 -5.694 0.897 -0.123 1.00 0.00 C ATOM 123 CE2 TYR A 8 -6.523 3.167 0.067 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.431 1.864 0.570 1.00 0.00 C ATOM 125 OH TYR A 8 -7.069 1.532 1.748 1.00 0.00 O ATOM 0 H TYR A 8 -5.260 3.428 -6.054 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.065 1.157 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.419 2.556 -3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.438 3.975 -3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.485 0.484 -1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.949 4.508 -1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.621 -0.108 0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.092 3.914 0.602 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.032 2.292 2.366 1.00 0.00 H new ATOM 135 N LEU A 9 -7.547 1.604 -4.448 1.00 0.00 N ATOM 136 CA LEU A 9 -9.020 1.856 -4.390 1.00 0.00 C ATOM 137 C LEU A 9 -9.626 1.034 -3.250 1.00 0.00 C ATOM 138 O LEU A 9 -9.637 -0.180 -3.279 1.00 0.00 O ATOM 139 CB LEU A 9 -9.655 1.447 -5.723 1.00 0.00 C ATOM 140 CG LEU A 9 -8.939 2.164 -6.875 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.577 1.758 -8.207 1.00 0.00 C ATOM 142 CD2 LEU A 9 -9.042 3.688 -6.696 1.00 0.00 C ATOM 0 H LEU A 9 -7.285 0.646 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.210 2.914 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.586 0.367 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.715 1.701 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.887 1.878 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.068 2.268 -9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.487 0.680 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.631 2.037 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.530 4.186 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.091 3.983 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.578 3.976 -5.753 1.00 0.00 H new ATOM 154 N ALA A 10 -10.124 1.703 -2.248 1.00 0.00 N ATOM 155 CA ALA A 10 -10.735 0.997 -1.088 1.00 0.00 C ATOM 156 C ALA A 10 -12.003 0.261 -1.536 1.00 0.00 C ATOM 157 O ALA A 10 -12.463 -0.656 -0.886 1.00 0.00 O ATOM 158 CB ALA A 10 -11.097 2.033 -0.024 1.00 0.00 C ATOM 0 H ALA A 10 -10.134 2.721 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.029 0.272 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.546 1.532 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.196 2.558 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.807 2.748 -0.439 1.00 0.00 H new ATOM 164 N ALA A 11 -12.579 0.671 -2.631 1.00 0.00 N ATOM 165 CA ALA A 11 -13.829 0.018 -3.115 1.00 0.00 C ATOM 166 C ALA A 11 -13.634 -1.497 -3.209 1.00 0.00 C ATOM 167 O ALA A 11 -14.407 -2.265 -2.672 1.00 0.00 O ATOM 168 CB ALA A 11 -14.164 0.559 -4.502 1.00 0.00 C ATOM 0 H ALA A 11 -12.237 1.434 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.637 0.232 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.077 0.088 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.310 1.638 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.345 0.339 -5.186 1.00 0.00 H new ATOM 174 N LYS A 12 -12.608 -1.934 -3.888 1.00 0.00 N ATOM 175 CA LYS A 12 -12.355 -3.399 -4.022 1.00 0.00 C ATOM 176 C LYS A 12 -11.324 -3.827 -2.976 1.00 0.00 C ATOM 177 O LYS A 12 -10.938 -4.974 -2.908 1.00 0.00 O ATOM 178 CB LYS A 12 -11.830 -3.697 -5.430 1.00 0.00 C ATOM 179 CG LYS A 12 -10.570 -2.871 -5.700 1.00 0.00 C ATOM 180 CD LYS A 12 -10.034 -3.205 -7.095 1.00 0.00 C ATOM 181 CE LYS A 12 -8.764 -2.396 -7.366 1.00 0.00 C ATOM 182 NZ LYS A 12 -8.234 -2.738 -8.717 1.00 0.00 N ATOM 0 H LYS A 12 -11.929 -1.336 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.280 -3.953 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.607 -4.759 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.595 -3.463 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.797 -1.807 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.813 -3.085 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.820 -4.271 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.788 -2.979 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.981 -1.329 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.014 -2.611 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.371 -2.188 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.012 -3.753 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.949 -2.512 -9.438 1.00 0.00 H new ATOM 196 N LYS A 13 -10.879 -2.901 -2.169 1.00 0.00 N ATOM 197 CA LYS A 13 -9.866 -3.216 -1.118 1.00 0.00 C ATOM 198 C LYS A 13 -8.608 -3.806 -1.763 1.00 0.00 C ATOM 199 O LYS A 13 -7.984 -4.699 -1.227 1.00 0.00 O ATOM 200 CB LYS A 13 -10.453 -4.204 -0.101 1.00 0.00 C ATOM 201 CG LYS A 13 -11.540 -3.497 0.709 1.00 0.00 C ATOM 202 CD LYS A 13 -12.148 -4.472 1.719 1.00 0.00 C ATOM 203 CE LYS A 13 -13.196 -3.746 2.567 1.00 0.00 C ATOM 204 NZ LYS A 13 -14.445 -3.572 1.770 1.00 0.00 N ATOM 0 H LYS A 13 -11.178 -1.926 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.597 -2.296 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.870 -5.070 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.670 -4.573 0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.118 -2.637 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.315 -3.118 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.606 -5.313 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.367 -4.882 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.406 -4.316 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.815 -2.775 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.185 -3.156 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.258 -2.942 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.764 -4.497 1.419 1.00 0.00 H new ATOM 218 N TYR A 14 -8.218 -3.294 -2.904 1.00 0.00 N ATOM 219 CA TYR A 14 -6.983 -3.803 -3.576 1.00 0.00 C ATOM 220 C TYR A 14 -6.322 -2.676 -4.367 1.00 0.00 C ATOM 221 O TYR A 14 -6.947 -1.691 -4.704 1.00 0.00 O ATOM 222 CB TYR A 14 -7.328 -4.954 -4.525 1.00 0.00 C ATOM 223 CG TYR A 14 -7.826 -6.135 -3.726 1.00 0.00 C ATOM 224 CD1 TYR A 14 -6.975 -6.767 -2.809 1.00 0.00 C ATOM 225 CD2 TYR A 14 -9.138 -6.598 -3.894 1.00 0.00 C ATOM 226 CE1 TYR A 14 -7.435 -7.856 -2.064 1.00 0.00 C ATOM 227 CE2 TYR A 14 -9.596 -7.687 -3.146 1.00 0.00 C ATOM 228 CZ TYR A 14 -8.744 -8.316 -2.231 1.00 0.00 C ATOM 229 OH TYR A 14 -9.195 -9.389 -1.493 1.00 0.00 O ATOM 0 H TYR A 14 -8.702 -2.545 -3.399 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.296 -4.166 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.090 -4.636 -5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.449 -5.238 -5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.963 -6.412 -2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.795 -6.114 -4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.778 -8.343 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.608 -8.043 -3.274 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.127 -9.580 -1.729 1.00 0.00 H new ATOM 239 N GLY A 15 -5.059 -2.818 -4.664 1.00 0.00 N ATOM 240 CA GLY A 15 -4.354 -1.758 -5.429 1.00 0.00 C ATOM 241 C GLY A 15 -2.966 -2.250 -5.833 1.00 0.00 C ATOM 242 O GLY A 15 -2.649 -3.415 -5.707 1.00 0.00 O ATOM 0 H GLY A 15 -4.487 -3.623 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.929 -1.493 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.268 -0.855 -4.824 1.00 0.00 H new ATOM 246 N PHE A 16 -2.134 -1.364 -6.323 1.00 0.00 N ATOM 247 CA PHE A 16 -0.757 -1.765 -6.745 1.00 0.00 C ATOM 248 C PHE A 16 0.243 -0.698 -6.311 1.00 0.00 C ATOM 249 O PHE A 16 -0.113 0.443 -6.094 1.00 0.00 O ATOM 250 CB PHE A 16 -0.714 -1.902 -8.265 1.00 0.00 C ATOM 251 CG PHE A 16 -1.598 -3.046 -8.689 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.103 -4.354 -8.676 1.00 0.00 C ATOM 253 CD2 PHE A 16 -2.915 -2.799 -9.094 1.00 0.00 C ATOM 254 CE1 PHE A 16 -1.924 -5.416 -9.069 1.00 0.00 C ATOM 255 CE2 PHE A 16 -3.737 -3.860 -9.487 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.241 -5.170 -9.475 1.00 0.00 C ATOM 0 H PHE A 16 -2.351 -0.375 -6.449 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.500 -2.717 -6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.048 -0.977 -8.734 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.310 -2.076 -8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.087 -4.544 -8.363 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.296 -1.789 -9.103 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.542 -6.426 -9.059 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.753 -3.670 -9.799 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.875 -5.990 -9.779 1.00 0.00 H new ATOM 266 N ILE A 17 1.495 -1.064 -6.186 1.00 0.00 N ATOM 267 CA ILE A 17 2.544 -0.084 -5.768 1.00 0.00 C ATOM 268 C ILE A 17 3.725 -0.155 -6.735 1.00 0.00 C ATOM 269 O ILE A 17 4.175 -1.220 -7.104 1.00 0.00 O ATOM 270 CB ILE A 17 3.014 -0.418 -4.353 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.849 -0.229 -3.377 1.00 0.00 C ATOM 272 CG2 ILE A 17 4.165 0.512 -3.963 1.00 0.00 C ATOM 273 CD1 ILE A 17 2.218 -0.818 -2.014 1.00 0.00 C ATOM 0 H ILE A 17 1.838 -2.009 -6.358 1.00 0.00 H new ATOM 0 HA ILE A 17 2.129 0.924 -5.783 1.00 0.00 H new ATOM 0 HB ILE A 17 3.358 -1.452 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.616 0.831 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.954 -0.716 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.500 0.273 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.992 0.379 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.824 1.547 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.387 -0.682 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.429 -1.882 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.101 -0.310 -1.625 1.00 0.00 H new ATOM 285 N GLN A 18 4.224 0.979 -7.156 1.00 0.00 N ATOM 286 CA GLN A 18 5.373 0.992 -8.109 1.00 0.00 C ATOM 287 C GLN A 18 6.684 1.106 -7.326 1.00 0.00 C ATOM 288 O GLN A 18 7.082 2.174 -6.907 1.00 0.00 O ATOM 289 CB GLN A 18 5.219 2.186 -9.052 1.00 0.00 C ATOM 290 CG GLN A 18 6.374 2.200 -10.054 1.00 0.00 C ATOM 291 CD GLN A 18 6.108 3.256 -11.128 1.00 0.00 C ATOM 292 OE1 GLN A 18 4.988 3.692 -11.305 1.00 0.00 O ATOM 293 NE2 GLN A 18 7.099 3.687 -11.859 1.00 0.00 N ATOM 0 H GLN A 18 3.883 1.900 -6.879 1.00 0.00 H new ATOM 0 HA GLN A 18 5.388 0.070 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.267 2.125 -9.580 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.208 3.114 -8.481 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.311 2.416 -9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.482 1.218 -10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.039 3.321 -11.710 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.933 4.390 -12.579 1.00 0.00 H new ATOM 302 N GLY A 19 7.345 0.000 -7.122 1.00 0.00 N ATOM 303 CA GLY A 19 8.625 0.009 -6.358 1.00 0.00 C ATOM 304 C GLY A 19 9.705 0.779 -7.124 1.00 0.00 C ATOM 305 O GLY A 19 9.535 1.145 -8.270 1.00 0.00 O ATOM 0 H GLY A 19 7.050 -0.918 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.468 0.466 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.956 -1.014 -6.181 1.00 0.00 H new ATOM 309 N ASP A 20 10.818 1.024 -6.485 1.00 0.00 N ATOM 310 CA ASP A 20 11.926 1.769 -7.148 1.00 0.00 C ATOM 311 C ASP A 20 12.455 0.936 -8.325 1.00 0.00 C ATOM 312 O ASP A 20 12.841 1.463 -9.349 1.00 0.00 O ATOM 313 CB ASP A 20 13.052 1.993 -6.125 1.00 0.00 C ATOM 314 CG ASP A 20 12.768 3.246 -5.283 1.00 0.00 C ATOM 315 OD1 ASP A 20 11.803 3.936 -5.572 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.524 3.492 -4.358 1.00 0.00 O ATOM 0 H ASP A 20 11.008 0.737 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 20 11.568 2.730 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.140 1.122 -5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.005 2.103 -6.642 1.00 0.00 H new ATOM 321 N ASP A 21 12.477 -0.361 -8.187 1.00 0.00 N ATOM 322 CA ASP A 21 12.974 -1.223 -9.294 1.00 0.00 C ATOM 323 C ASP A 21 11.839 -1.444 -10.298 1.00 0.00 C ATOM 324 O ASP A 21 11.992 -2.137 -11.284 1.00 0.00 O ATOM 325 CB ASP A 21 13.437 -2.567 -8.725 1.00 0.00 C ATOM 326 CG ASP A 21 14.689 -2.355 -7.871 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.216 -1.254 -7.887 1.00 0.00 O ATOM 328 OD2 ASP A 21 15.102 -3.297 -7.213 1.00 0.00 O ATOM 0 H ASP A 21 12.171 -0.862 -7.353 1.00 0.00 H new ATOM 0 HA ASP A 21 13.814 -0.741 -9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.644 -3.012 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.651 -3.263 -9.536 1.00 0.00 H new ATOM 333 N GLY A 22 10.698 -0.856 -10.049 1.00 0.00 N ATOM 334 CA GLY A 22 9.546 -1.026 -10.980 1.00 0.00 C ATOM 335 C GLY A 22 8.849 -2.355 -10.686 1.00 0.00 C ATOM 336 O GLY A 22 8.195 -2.926 -11.534 1.00 0.00 O ATOM 0 H GLY A 22 10.515 -0.264 -9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.844 -0.200 -10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.893 -1.005 -12.013 1.00 0.00 H new ATOM 340 N GLU A 23 8.987 -2.857 -9.487 1.00 0.00 N ATOM 341 CA GLU A 23 8.338 -4.154 -9.137 1.00 0.00 C ATOM 342 C GLU A 23 6.927 -3.898 -8.605 1.00 0.00 C ATOM 343 O GLU A 23 6.739 -3.303 -7.563 1.00 0.00 O ATOM 344 CB GLU A 23 9.178 -4.856 -8.071 1.00 0.00 C ATOM 345 CG GLU A 23 10.508 -5.287 -8.690 1.00 0.00 C ATOM 346 CD GLU A 23 11.394 -5.923 -7.619 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.955 -5.999 -6.484 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.496 -6.325 -7.954 1.00 0.00 O ATOM 0 H GLU A 23 9.522 -2.424 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 23 8.270 -4.785 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.354 -4.187 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.645 -5.724 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.331 -5.997 -9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.012 -4.426 -9.128 1.00 0.00 H new ATOM 355 N SER A 24 5.932 -4.340 -9.326 1.00 0.00 N ATOM 356 CA SER A 24 4.526 -4.124 -8.884 1.00 0.00 C ATOM 357 C SER A 24 4.188 -5.061 -7.724 1.00 0.00 C ATOM 358 O SER A 24 4.682 -6.167 -7.645 1.00 0.00 O ATOM 359 CB SER A 24 3.586 -4.407 -10.052 1.00 0.00 C ATOM 360 OG SER A 24 2.241 -4.251 -9.620 1.00 0.00 O ATOM 0 H SER A 24 6.034 -4.844 -10.207 1.00 0.00 H new ATOM 0 HA SER A 24 4.409 -3.092 -8.552 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.797 -3.726 -10.877 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.745 -5.419 -10.425 1.00 0.00 H new ATOM 0 HG SER A 24 1.634 -4.431 -10.368 1.00 0.00 H new ATOM 366 N TYR A 25 3.339 -4.618 -6.828 1.00 0.00 N ATOM 367 CA TYR A 25 2.941 -5.461 -5.660 1.00 0.00 C ATOM 368 C TYR A 25 1.420 -5.644 -5.655 1.00 0.00 C ATOM 369 O TYR A 25 0.673 -4.757 -6.019 1.00 0.00 O ATOM 370 CB TYR A 25 3.383 -4.769 -4.370 1.00 0.00 C ATOM 371 CG TYR A 25 4.892 -4.705 -4.334 1.00 0.00 C ATOM 372 CD1 TYR A 25 5.564 -3.622 -4.917 1.00 0.00 C ATOM 373 CD2 TYR A 25 5.620 -5.730 -3.719 1.00 0.00 C ATOM 374 CE1 TYR A 25 6.963 -3.567 -4.884 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.018 -5.675 -3.686 1.00 0.00 C ATOM 376 CZ TYR A 25 7.690 -4.594 -4.268 1.00 0.00 C ATOM 377 OH TYR A 25 9.069 -4.540 -4.234 1.00 0.00 O ATOM 0 H TYR A 25 2.901 -3.697 -6.858 1.00 0.00 H new ATOM 0 HA TYR A 25 3.418 -6.439 -5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.963 -3.764 -4.319 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.009 -5.315 -3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.003 -2.830 -5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.102 -6.564 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.481 -2.733 -5.333 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.578 -6.467 -3.211 1.00 0.00 H new ATOM 0 HH TYR A 25 9.435 -5.053 -4.984 1.00 0.00 H new ATOM 387 N PHE A 26 0.964 -6.794 -5.244 1.00 0.00 N ATOM 388 CA PHE A 26 -0.500 -7.062 -5.206 1.00 0.00 C ATOM 389 C PHE A 26 -1.179 -6.068 -4.260 1.00 0.00 C ATOM 390 O PHE A 26 -2.226 -5.531 -4.555 1.00 0.00 O ATOM 391 CB PHE A 26 -0.726 -8.484 -4.697 1.00 0.00 C ATOM 392 CG PHE A 26 -2.198 -8.817 -4.753 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.806 -9.077 -5.986 1.00 0.00 C ATOM 394 CD2 PHE A 26 -2.954 -8.866 -3.575 1.00 0.00 C ATOM 395 CE1 PHE A 26 -4.168 -9.384 -6.043 1.00 0.00 C ATOM 396 CE2 PHE A 26 -4.318 -9.173 -3.632 1.00 0.00 C ATOM 397 CZ PHE A 26 -4.926 -9.433 -4.866 1.00 0.00 C ATOM 0 H PHE A 26 1.550 -7.568 -4.930 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.923 -6.952 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.160 -9.192 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.361 -8.577 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.222 -9.040 -6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.484 -8.667 -2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.637 -9.584 -6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.902 -9.209 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.978 -9.671 -4.910 1.00 0.00 H new ATOM 407 N LEU A 27 -0.586 -5.838 -3.121 1.00 0.00 N ATOM 408 CA LEU A 27 -1.176 -4.893 -2.130 1.00 0.00 C ATOM 409 C LEU A 27 -2.436 -5.513 -1.528 1.00 0.00 C ATOM 410 O LEU A 27 -3.507 -5.435 -2.098 1.00 0.00 O ATOM 411 CB LEU A 27 -1.528 -3.557 -2.812 1.00 0.00 C ATOM 412 CG LEU A 27 -1.535 -2.429 -1.770 1.00 0.00 C ATOM 413 CD1 LEU A 27 -1.890 -1.105 -2.452 1.00 0.00 C ATOM 414 CD2 LEU A 27 -2.567 -2.737 -0.674 1.00 0.00 C ATOM 0 H LEU A 27 0.292 -6.269 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.449 -4.702 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.804 -3.336 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.504 -3.629 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.546 -2.352 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.895 -0.305 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.151 -0.883 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.877 -1.184 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.567 -1.933 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.558 -2.820 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.309 -3.676 -0.185 1.00 0.00 H new ATOM 426 N HIS A 28 -2.309 -6.125 -0.376 1.00 0.00 N ATOM 427 CA HIS A 28 -3.488 -6.759 0.287 1.00 0.00 C ATOM 428 C HIS A 28 -3.769 -6.056 1.621 1.00 0.00 C ATOM 429 O HIS A 28 -2.947 -6.044 2.518 1.00 0.00 O ATOM 430 CB HIS A 28 -3.187 -8.249 0.529 1.00 0.00 C ATOM 431 CG HIS A 28 -4.478 -9.025 0.574 1.00 0.00 C ATOM 432 ND1 HIS A 28 -5.566 -8.593 1.312 1.00 0.00 N ATOM 433 CD2 HIS A 28 -4.874 -10.188 -0.035 1.00 0.00 C ATOM 434 CE1 HIS A 28 -6.558 -9.482 1.129 1.00 0.00 C ATOM 435 NE2 HIS A 28 -6.189 -10.476 0.316 1.00 0.00 N ATOM 0 H HIS A 28 -1.431 -6.212 0.136 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.366 -6.666 -0.352 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.547 -8.635 -0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.644 -8.373 1.466 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.259 -10.789 -0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.534 -9.402 1.584 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -6.750 -11.274 0.017 1.00 0.00 H new ATOM 443 N PHE A 29 -4.931 -5.479 1.751 1.00 0.00 N ATOM 444 CA PHE A 29 -5.294 -4.779 3.014 1.00 0.00 C ATOM 445 C PHE A 29 -5.178 -5.767 4.184 1.00 0.00 C ATOM 446 O PHE A 29 -5.051 -5.384 5.330 1.00 0.00 O ATOM 447 CB PHE A 29 -6.737 -4.266 2.889 1.00 0.00 C ATOM 448 CG PHE A 29 -7.709 -5.419 3.025 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.065 -6.177 1.901 1.00 0.00 C ATOM 450 CD2 PHE A 29 -8.250 -5.729 4.280 1.00 0.00 C ATOM 451 CE1 PHE A 29 -8.961 -7.246 2.034 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.144 -6.797 4.411 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.500 -7.555 3.289 1.00 0.00 C ATOM 0 H PHE A 29 -5.651 -5.463 1.029 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.625 -3.938 3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.935 -3.520 3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.875 -3.775 1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.649 -5.937 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.977 -5.144 5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.236 -7.831 1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.560 -7.037 5.378 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.191 -8.379 3.391 1.00 0.00 H new ATOM 463 N SER A 30 -5.231 -7.035 3.892 1.00 0.00 N ATOM 464 CA SER A 30 -5.136 -8.064 4.962 1.00 0.00 C ATOM 465 C SER A 30 -3.737 -8.037 5.582 1.00 0.00 C ATOM 466 O SER A 30 -3.522 -8.520 6.677 1.00 0.00 O ATOM 467 CB SER A 30 -5.399 -9.441 4.355 1.00 0.00 C ATOM 468 OG SER A 30 -4.443 -9.687 3.331 1.00 0.00 O ATOM 0 H SER A 30 -5.337 -7.406 2.948 1.00 0.00 H new ATOM 0 HA SER A 30 -5.874 -7.855 5.736 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.333 -10.210 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.408 -9.485 3.946 1.00 0.00 H new ATOM 0 HG SER A 30 -4.557 -9.031 2.612 1.00 0.00 H new ATOM 474 N GLU A 31 -2.786 -7.474 4.893 1.00 0.00 N ATOM 475 CA GLU A 31 -1.398 -7.411 5.436 1.00 0.00 C ATOM 476 C GLU A 31 -1.235 -6.145 6.277 1.00 0.00 C ATOM 477 O GLU A 31 -0.163 -5.844 6.762 1.00 0.00 O ATOM 478 CB GLU A 31 -0.405 -7.385 4.268 1.00 0.00 C ATOM 479 CG GLU A 31 -0.399 -8.747 3.563 1.00 0.00 C ATOM 480 CD GLU A 31 0.180 -9.811 4.497 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.886 -9.442 5.418 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.102 -10.979 4.277 1.00 0.00 O ATOM 0 H GLU A 31 -2.909 -7.052 3.972 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.207 -8.283 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.679 -6.601 3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.595 -7.150 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.413 -9.020 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.193 -8.691 2.649 1.00 0.00 H new ATOM 489 N LEU A 32 -2.288 -5.396 6.452 1.00 0.00 N ATOM 490 CA LEU A 32 -2.184 -4.148 7.257 1.00 0.00 C ATOM 491 C LEU A 32 -2.174 -4.481 8.749 1.00 0.00 C ATOM 492 O LEU A 32 -2.968 -5.261 9.233 1.00 0.00 O ATOM 493 CB LEU A 32 -3.377 -3.241 6.936 1.00 0.00 C ATOM 494 CG LEU A 32 -3.195 -2.612 5.542 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.532 -2.044 5.061 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.162 -1.471 5.591 1.00 0.00 C ATOM 0 H LEU A 32 -3.214 -5.594 6.073 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.255 -3.635 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.302 -3.817 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.463 -2.458 7.690 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.843 -3.385 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.404 -1.599 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.269 -2.845 5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.877 -1.283 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.048 -1.040 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.503 -0.701 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.203 -1.863 5.928 1.00 0.00 H new ATOM 508 N LEU A 33 -1.271 -3.883 9.477 1.00 0.00 N ATOM 509 CA LEU A 33 -1.188 -4.144 10.938 1.00 0.00 C ATOM 510 C LEU A 33 -2.486 -3.681 11.603 1.00 0.00 C ATOM 511 O LEU A 33 -3.030 -4.353 12.456 1.00 0.00 O ATOM 512 CB LEU A 33 -0.013 -3.355 11.518 1.00 0.00 C ATOM 513 CG LEU A 33 1.312 -3.906 10.971 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.459 -2.989 11.415 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.557 -5.339 11.487 1.00 0.00 C ATOM 0 H LEU A 33 -0.583 -3.221 9.118 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.042 -5.209 11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.111 -2.300 11.262 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.022 -3.421 12.606 1.00 0.00 H new ATOM 0 HG LEU A 33 1.263 -3.937 9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.403 -3.375 11.030 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.292 -1.984 11.027 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.498 -2.956 12.504 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.500 -5.713 11.089 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.600 -5.331 12.576 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.743 -5.987 11.161 1.00 0.00 H new ATOM 527 N ASP A 34 -2.983 -2.533 11.208 1.00 0.00 N ATOM 528 CA ASP A 34 -4.254 -1.998 11.794 1.00 0.00 C ATOM 529 C ASP A 34 -5.284 -1.791 10.681 1.00 0.00 C ATOM 530 O ASP A 34 -5.068 -1.042 9.751 1.00 0.00 O ATOM 531 CB ASP A 34 -3.978 -0.663 12.488 1.00 0.00 C ATOM 532 CG ASP A 34 -3.223 -0.911 13.796 1.00 0.00 C ATOM 533 OD1 ASP A 34 -3.148 -2.058 14.205 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.731 0.049 14.365 1.00 0.00 O ATOM 0 H ASP A 34 -2.558 -1.938 10.497 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.643 -2.710 12.521 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.392 -0.016 11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.916 -0.146 12.690 1.00 0.00 H new ATOM 539 N LYS A 35 -6.403 -2.452 10.780 1.00 0.00 N ATOM 540 CA LYS A 35 -7.463 -2.304 9.746 1.00 0.00 C ATOM 541 C LYS A 35 -7.959 -0.851 9.744 1.00 0.00 C ATOM 542 O LYS A 35 -8.280 -0.294 8.713 1.00 0.00 O ATOM 543 CB LYS A 35 -8.621 -3.238 10.098 1.00 0.00 C ATOM 544 CG LYS A 35 -8.135 -4.695 10.146 1.00 0.00 C ATOM 545 CD LYS A 35 -7.805 -5.199 8.735 1.00 0.00 C ATOM 546 CE LYS A 35 -7.715 -6.726 8.742 1.00 0.00 C ATOM 547 NZ LYS A 35 -7.543 -7.210 7.344 1.00 0.00 N ATOM 0 H LYS A 35 -6.630 -3.094 11.540 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.070 -2.556 8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.044 -2.957 11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.416 -3.137 9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.252 -4.769 10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.903 -5.326 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.573 -4.873 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.861 -4.771 8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.876 -7.051 9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.617 -7.154 9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.056 -8.129 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.476 -7.316 6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.977 -6.523 6.806 1.00 0.00 H new ATOM 561 N LYS A 36 -8.027 -0.244 10.897 1.00 0.00 N ATOM 562 CA LYS A 36 -8.502 1.168 10.982 1.00 0.00 C ATOM 563 C LYS A 36 -7.557 2.077 10.188 1.00 0.00 C ATOM 564 O LYS A 36 -7.981 3.005 9.528 1.00 0.00 O ATOM 565 CB LYS A 36 -8.507 1.612 12.445 1.00 0.00 C ATOM 566 CG LYS A 36 -9.586 0.852 13.220 1.00 0.00 C ATOM 567 CD LYS A 36 -9.552 1.284 14.687 1.00 0.00 C ATOM 568 CE LYS A 36 -10.574 0.469 15.484 1.00 0.00 C ATOM 569 NZ LYS A 36 -11.935 0.691 14.918 1.00 0.00 N ATOM 0 H LYS A 36 -7.773 -0.667 11.790 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.509 1.236 10.569 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.530 1.429 12.892 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.691 2.685 12.507 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.568 1.054 12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.419 -0.222 13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.553 1.136 15.098 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.776 2.348 14.769 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.320 -0.590 15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.552 0.764 16.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.652 0.402 15.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.057 1.699 14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.047 0.127 14.051 1.00 0.00 H new ATOM 583 N ASP A 37 -6.280 1.821 10.257 1.00 0.00 N ATOM 584 CA ASP A 37 -5.303 2.671 9.520 1.00 0.00 C ATOM 585 C ASP A 37 -5.461 2.455 8.013 1.00 0.00 C ATOM 586 O ASP A 37 -4.846 3.132 7.213 1.00 0.00 O ATOM 587 CB ASP A 37 -3.882 2.293 9.943 1.00 0.00 C ATOM 588 CG ASP A 37 -3.625 2.778 11.371 1.00 0.00 C ATOM 589 OD1 ASP A 37 -4.412 3.573 11.859 1.00 0.00 O ATOM 590 OD2 ASP A 37 -2.644 2.345 11.954 1.00 0.00 O ATOM 0 H ASP A 37 -5.870 1.057 10.794 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.489 3.719 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.750 1.213 9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.158 2.739 9.261 1.00 0.00 H new ATOM 595 N GLU A 38 -6.277 1.518 7.616 1.00 0.00 N ATOM 596 CA GLU A 38 -6.466 1.268 6.159 1.00 0.00 C ATOM 597 C GLU A 38 -7.046 2.523 5.505 1.00 0.00 C ATOM 598 O GLU A 38 -6.702 2.872 4.393 1.00 0.00 O ATOM 599 CB GLU A 38 -7.430 0.095 5.963 1.00 0.00 C ATOM 600 CG GLU A 38 -7.518 -0.250 4.474 1.00 0.00 C ATOM 601 CD GLU A 38 -8.419 -1.474 4.280 1.00 0.00 C ATOM 602 OE1 GLU A 38 -8.722 -2.124 5.267 1.00 0.00 O ATOM 603 OE2 GLU A 38 -8.791 -1.737 3.149 1.00 0.00 O ATOM 0 H GLU A 38 -6.820 0.916 8.235 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.507 1.027 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.085 -0.771 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.417 0.354 6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.916 0.598 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.523 -0.453 4.078 1.00 0.00 H new ATOM 610 N GLY A 39 -7.922 3.206 6.190 1.00 0.00 N ATOM 611 CA GLY A 39 -8.524 4.442 5.615 1.00 0.00 C ATOM 612 C GLY A 39 -7.573 5.620 5.834 1.00 0.00 C ATOM 613 O GLY A 39 -7.799 6.711 5.349 1.00 0.00 O ATOM 0 H GLY A 39 -8.247 2.961 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.713 4.306 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.486 4.644 6.086 1.00 0.00 H new ATOM 617 N LYS A 40 -6.510 5.410 6.562 1.00 0.00 N ATOM 618 CA LYS A 40 -5.540 6.517 6.817 1.00 0.00 C ATOM 619 C LYS A 40 -4.448 6.486 5.744 1.00 0.00 C ATOM 620 O LYS A 40 -3.565 7.319 5.717 1.00 0.00 O ATOM 621 CB LYS A 40 -4.903 6.313 8.201 1.00 0.00 C ATOM 622 CG LYS A 40 -4.351 7.652 8.734 1.00 0.00 C ATOM 623 CD LYS A 40 -5.461 8.430 9.469 1.00 0.00 C ATOM 624 CE LYS A 40 -5.540 7.976 10.932 1.00 0.00 C ATOM 625 NZ LYS A 40 -6.575 8.778 11.641 1.00 0.00 N ATOM 0 H LYS A 40 -6.270 4.517 6.993 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.054 7.478 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.643 5.914 8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.099 5.580 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.517 7.466 9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.964 8.249 7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.258 9.500 9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.419 8.265 8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.787 6.916 10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.572 8.101 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.631 8.473 12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.320 9.786 11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.498 8.637 11.183 1.00 0.00 H new ATOM 639 N LEU A 41 -4.499 5.520 4.873 1.00 0.00 N ATOM 640 CA LEU A 41 -3.463 5.408 3.811 1.00 0.00 C ATOM 641 C LEU A 41 -3.482 6.645 2.919 1.00 0.00 C ATOM 642 O LEU A 41 -4.378 7.462 2.993 1.00 0.00 O ATOM 643 CB LEU A 41 -3.739 4.164 2.970 1.00 0.00 C ATOM 644 CG LEU A 41 -3.527 2.907 3.824 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.018 1.683 3.047 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.034 2.738 4.181 1.00 0.00 C ATOM 0 H LEU A 41 -5.219 4.798 4.851 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.481 5.329 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.760 4.189 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.077 4.144 2.104 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.092 3.007 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.870 0.786 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.078 1.797 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.456 1.593 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.904 1.841 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.449 2.646 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.694 3.608 4.743 1.00 0.00 H new ATOM 658 N VAL A 42 -2.485 6.785 2.078 1.00 0.00 N ATOM 659 CA VAL A 42 -2.410 7.969 1.169 1.00 0.00 C ATOM 660 C VAL A 42 -2.230 7.488 -0.271 1.00 0.00 C ATOM 661 O VAL A 42 -1.563 6.506 -0.529 1.00 0.00 O ATOM 662 CB VAL A 42 -1.220 8.839 1.572 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.054 7.991 1.614 1.00 0.00 C ATOM 664 CG2 VAL A 42 -1.059 9.975 0.560 1.00 0.00 C ATOM 0 H VAL A 42 -1.715 6.123 1.983 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.328 8.552 1.245 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.395 9.259 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.899 8.617 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.067 7.188 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.239 7.563 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.211 10.598 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.886 9.557 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.965 10.581 0.546 1.00 0.00 H new ATOM 674 N LYS A 43 -2.840 8.173 -1.208 1.00 0.00 N ATOM 675 CA LYS A 43 -2.736 7.773 -2.646 1.00 0.00 C ATOM 676 C LYS A 43 -1.894 8.790 -3.428 1.00 0.00 C ATOM 677 O LYS A 43 -2.125 9.981 -3.368 1.00 0.00 O ATOM 678 CB LYS A 43 -4.141 7.715 -3.242 1.00 0.00 C ATOM 679 CG LYS A 43 -4.072 7.091 -4.637 1.00 0.00 C ATOM 680 CD LYS A 43 -5.489 6.922 -5.184 1.00 0.00 C ATOM 681 CE LYS A 43 -5.428 6.238 -6.549 1.00 0.00 C ATOM 682 NZ LYS A 43 -4.572 7.039 -7.470 1.00 0.00 N ATOM 0 H LYS A 43 -3.411 9.000 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.254 6.798 -2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.797 7.127 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.566 8.717 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.486 7.724 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.569 6.125 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.089 6.328 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.974 7.894 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.025 5.231 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.432 6.139 -6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.766 6.762 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.782 8.050 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.570 6.864 -7.253 1.00 0.00 H new ATOM 696 N GLY A 44 -0.927 8.318 -4.175 1.00 0.00 N ATOM 697 CA GLY A 44 -0.067 9.232 -4.983 1.00 0.00 C ATOM 698 C GLY A 44 1.184 9.608 -4.188 1.00 0.00 C ATOM 699 O GLY A 44 2.143 10.113 -4.735 1.00 0.00 O ATOM 0 H GLY A 44 -0.696 7.328 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.217 8.747 -5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.624 10.131 -5.247 1.00 0.00 H new ATOM 703 N SER A 45 1.183 9.374 -2.900 1.00 0.00 N ATOM 704 CA SER A 45 2.377 9.734 -2.071 1.00 0.00 C ATOM 705 C SER A 45 3.276 8.513 -1.853 1.00 0.00 C ATOM 706 O SER A 45 3.053 7.447 -2.396 1.00 0.00 O ATOM 707 CB SER A 45 1.911 10.268 -0.722 1.00 0.00 C ATOM 708 OG SER A 45 2.988 10.948 -0.090 1.00 0.00 O ATOM 0 H SER A 45 0.410 8.951 -2.386 1.00 0.00 H new ATOM 0 HA SER A 45 2.950 10.497 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.067 10.945 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.564 9.448 -0.093 1.00 0.00 H new ATOM 0 HG SER A 45 2.686 11.831 0.210 1.00 0.00 H new ATOM 714 N MET A 46 4.300 8.680 -1.059 1.00 0.00 N ATOM 715 CA MET A 46 5.243 7.560 -0.787 1.00 0.00 C ATOM 716 C MET A 46 4.660 6.614 0.263 1.00 0.00 C ATOM 717 O MET A 46 3.940 7.025 1.151 1.00 0.00 O ATOM 718 CB MET A 46 6.559 8.135 -0.265 1.00 0.00 C ATOM 719 CG MET A 46 7.261 8.895 -1.391 1.00 0.00 C ATOM 720 SD MET A 46 8.731 9.722 -0.734 1.00 0.00 S ATOM 721 CE MET A 46 9.665 8.232 -0.306 1.00 0.00 C ATOM 0 H MET A 46 4.524 9.554 -0.583 1.00 0.00 H new ATOM 0 HA MET A 46 5.410 7.004 -1.710 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.369 8.802 0.576 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.199 7.333 0.102 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.543 8.207 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.583 9.628 -1.828 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.721 8.389 -0.525 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.543 8.018 0.756 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.294 7.390 -0.890 1.00 0.00 H new ATOM 731 N VAL A 47 4.979 5.347 0.171 1.00 0.00 N ATOM 732 CA VAL A 47 4.465 4.359 1.167 1.00 0.00 C ATOM 733 C VAL A 47 5.582 3.386 1.533 1.00 0.00 C ATOM 734 O VAL A 47 6.466 3.120 0.744 1.00 0.00 O ATOM 735 CB VAL A 47 3.289 3.591 0.563 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.105 4.539 0.380 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.694 3.017 -0.798 1.00 0.00 C ATOM 0 H VAL A 47 5.577 4.953 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 47 4.130 4.881 2.063 1.00 0.00 H new ATOM 0 HB VAL A 47 3.007 2.777 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.265 3.993 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.814 4.949 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.390 5.352 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.854 2.470 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.976 3.830 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.540 2.342 -0.671 1.00 0.00 H new ATOM 747 N HIS A 48 5.550 2.856 2.727 1.00 0.00 N ATOM 748 CA HIS A 48 6.611 1.899 3.156 1.00 0.00 C ATOM 749 C HIS A 48 6.097 0.465 3.023 1.00 0.00 C ATOM 750 O HIS A 48 5.068 0.113 3.567 1.00 0.00 O ATOM 751 CB HIS A 48 6.979 2.174 4.614 1.00 0.00 C ATOM 752 CG HIS A 48 7.972 1.145 5.077 1.00 0.00 C ATOM 753 ND1 HIS A 48 9.307 1.190 4.706 1.00 0.00 N ATOM 754 CD2 HIS A 48 7.841 0.031 5.867 1.00 0.00 C ATOM 755 CE1 HIS A 48 9.920 0.133 5.267 1.00 0.00 C ATOM 756 NE2 HIS A 48 9.072 -0.607 5.986 1.00 0.00 N ATOM 0 H HIS A 48 4.832 3.046 3.426 1.00 0.00 H new ATOM 0 HA HIS A 48 7.490 2.026 2.525 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.401 3.174 4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.086 2.142 5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.922 -0.301 6.327 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.970 -0.090 5.150 1.00 0.00 H new ATOM 0 HE2 HIS A 48 9.282 -1.457 6.510 1.00 0.00 H new ATOM 764 N PHE A 49 6.813 -0.366 2.313 1.00 0.00 N ATOM 765 CA PHE A 49 6.383 -1.786 2.151 1.00 0.00 C ATOM 766 C PHE A 49 7.618 -2.682 2.183 1.00 0.00 C ATOM 767 O PHE A 49 8.686 -2.287 1.761 1.00 0.00 O ATOM 768 CB PHE A 49 5.652 -1.956 0.818 1.00 0.00 C ATOM 769 CG PHE A 49 6.574 -1.620 -0.333 1.00 0.00 C ATOM 770 CD1 PHE A 49 7.388 -2.612 -0.894 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.601 -0.319 -0.851 1.00 0.00 C ATOM 772 CE1 PHE A 49 8.230 -2.302 -1.969 1.00 0.00 C ATOM 773 CE2 PHE A 49 7.441 -0.011 -1.928 1.00 0.00 C ATOM 774 CZ PHE A 49 8.255 -1.002 -2.488 1.00 0.00 C ATOM 0 H PHE A 49 7.681 -0.121 1.836 1.00 0.00 H new ATOM 0 HA PHE A 49 5.707 -2.062 2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.295 -2.981 0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.775 -1.309 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.366 -3.616 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.974 0.447 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.861 -3.066 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.461 0.992 -2.327 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.902 -0.764 -3.320 1.00 0.00 H new ATOM 784 N ASP A 50 7.480 -3.882 2.692 1.00 0.00 N ATOM 785 CA ASP A 50 8.646 -4.818 2.769 1.00 0.00 C ATOM 786 C ASP A 50 8.453 -5.955 1.753 1.00 0.00 C ATOM 787 O ASP A 50 7.341 -6.303 1.411 1.00 0.00 O ATOM 788 CB ASP A 50 8.720 -5.400 4.190 1.00 0.00 C ATOM 789 CG ASP A 50 9.474 -4.431 5.105 1.00 0.00 C ATOM 790 OD1 ASP A 50 9.145 -3.256 5.090 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.370 -4.880 5.800 1.00 0.00 O ATOM 0 H ASP A 50 6.605 -4.256 3.060 1.00 0.00 H new ATOM 0 HA ASP A 50 9.570 -4.286 2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.715 -5.572 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.225 -6.366 4.172 1.00 0.00 H new ATOM 796 N PRO A 51 9.531 -6.529 1.276 1.00 0.00 N ATOM 797 CA PRO A 51 9.470 -7.645 0.286 1.00 0.00 C ATOM 798 C PRO A 51 8.816 -8.904 0.871 1.00 0.00 C ATOM 799 O PRO A 51 9.056 -9.275 2.001 1.00 0.00 O ATOM 800 CB PRO A 51 10.948 -7.900 -0.074 1.00 0.00 C ATOM 801 CG PRO A 51 11.732 -7.354 1.077 1.00 0.00 C ATOM 802 CD PRO A 51 10.918 -6.183 1.623 1.00 0.00 C ATOM 0 HA PRO A 51 8.858 -7.391 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.142 -8.964 -0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.218 -7.403 -1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.883 -8.115 1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.720 -7.026 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.046 -6.074 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.221 -5.239 1.169 1.00 0.00 H new ATOM 810 N THR A 52 8.002 -9.567 0.097 1.00 0.00 N ATOM 811 CA THR A 52 7.340 -10.806 0.588 1.00 0.00 C ATOM 812 C THR A 52 6.997 -11.701 -0.611 1.00 0.00 C ATOM 813 O THR A 52 5.918 -11.610 -1.164 1.00 0.00 O ATOM 814 CB THR A 52 6.056 -10.441 1.337 1.00 0.00 C ATOM 815 OG1 THR A 52 6.394 -9.736 2.525 1.00 0.00 O ATOM 816 CG2 THR A 52 5.293 -11.719 1.700 1.00 0.00 C ATOM 0 H THR A 52 7.766 -9.302 -0.859 1.00 0.00 H new ATOM 0 HA THR A 52 8.011 -11.336 1.264 1.00 0.00 H new ATOM 0 HB THR A 52 5.428 -9.814 0.704 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.366 -9.616 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.379 -11.458 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.039 -12.262 0.790 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.917 -12.347 2.336 1.00 0.00 H new ATOM 824 N PRO A 53 7.902 -12.554 -1.019 1.00 0.00 N ATOM 825 CA PRO A 53 7.672 -13.471 -2.176 1.00 0.00 C ATOM 826 C PRO A 53 6.390 -14.298 -2.022 1.00 0.00 C ATOM 827 O PRO A 53 6.075 -14.779 -0.953 1.00 0.00 O ATOM 828 CB PRO A 53 8.914 -14.381 -2.168 1.00 0.00 C ATOM 829 CG PRO A 53 9.971 -13.584 -1.475 1.00 0.00 C ATOM 830 CD PRO A 53 9.242 -12.735 -0.435 1.00 0.00 C ATOM 0 HA PRO A 53 7.540 -12.923 -3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.716 -15.315 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.218 -14.643 -3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.705 -14.237 -1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.513 -12.956 -2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.194 -13.237 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.742 -11.780 -0.274 1.00 0.00 H new ATOM 838 N THR A 54 5.652 -14.466 -3.088 1.00 0.00 N ATOM 839 CA THR A 54 4.390 -15.259 -3.015 1.00 0.00 C ATOM 840 C THR A 54 4.131 -15.904 -4.388 1.00 0.00 C ATOM 841 O THR A 54 4.601 -15.422 -5.401 1.00 0.00 O ATOM 842 CB THR A 54 3.224 -14.313 -2.645 1.00 0.00 C ATOM 843 OG1 THR A 54 3.524 -13.003 -3.105 1.00 0.00 O ATOM 844 CG2 THR A 54 3.028 -14.282 -1.123 1.00 0.00 C ATOM 0 H THR A 54 5.870 -14.086 -4.009 1.00 0.00 H new ATOM 0 HA THR A 54 4.473 -16.039 -2.259 1.00 0.00 H new ATOM 0 HB THR A 54 2.309 -14.674 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.934 -12.776 -3.854 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.204 -13.612 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.800 -15.286 -0.765 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.941 -13.926 -0.646 1.00 0.00 H new ATOM 852 N PRO A 55 3.380 -16.977 -4.421 1.00 0.00 N ATOM 853 CA PRO A 55 3.048 -17.687 -5.695 1.00 0.00 C ATOM 854 C PRO A 55 2.235 -16.799 -6.647 1.00 0.00 C ATOM 855 O PRO A 55 2.159 -17.050 -7.832 1.00 0.00 O ATOM 856 CB PRO A 55 2.240 -18.925 -5.245 1.00 0.00 C ATOM 857 CG PRO A 55 1.774 -18.626 -3.849 1.00 0.00 C ATOM 858 CD PRO A 55 2.774 -17.632 -3.250 1.00 0.00 C ATOM 0 HA PRO A 55 3.942 -17.958 -6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.394 -19.102 -5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.857 -19.823 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.769 -18.204 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.731 -19.537 -3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.277 -16.909 -2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.525 -18.139 -2.645 1.00 0.00 H new ATOM 866 N LYS A 56 1.635 -15.761 -6.138 1.00 0.00 N ATOM 867 CA LYS A 56 0.839 -14.861 -7.018 1.00 0.00 C ATOM 868 C LYS A 56 1.778 -13.880 -7.720 1.00 0.00 C ATOM 869 O LYS A 56 1.350 -13.030 -8.473 1.00 0.00 O ATOM 870 CB LYS A 56 -0.169 -14.088 -6.174 1.00 0.00 C ATOM 871 CG LYS A 56 -1.266 -15.041 -5.695 1.00 0.00 C ATOM 872 CD LYS A 56 -2.224 -14.301 -4.754 1.00 0.00 C ATOM 873 CE LYS A 56 -3.161 -13.387 -5.555 1.00 0.00 C ATOM 874 NZ LYS A 56 -4.258 -12.902 -4.669 1.00 0.00 N ATOM 0 H LYS A 56 1.661 -15.497 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 56 0.308 -15.453 -7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.330 -13.631 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.605 -13.278 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.815 -15.437 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.821 -15.892 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.809 -15.020 -4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.655 -13.710 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.604 -12.541 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.577 -13.929 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.145 -13.383 -4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.020 -13.108 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.375 -11.876 -4.791 1.00 0.00 H new ATOM 888 N GLY A 57 3.059 -14.006 -7.478 1.00 0.00 N ATOM 889 CA GLY A 57 4.060 -13.103 -8.127 1.00 0.00 C ATOM 890 C GLY A 57 4.736 -12.234 -7.067 1.00 0.00 C ATOM 891 O GLY A 57 5.785 -12.572 -6.559 1.00 0.00 O ATOM 0 H GLY A 57 3.459 -14.704 -6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.807 -13.694 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.568 -12.473 -8.868 1.00 0.00 H new ATOM 895 N LEU A 58 4.146 -11.110 -6.737 1.00 0.00 N ATOM 896 CA LEU A 58 4.753 -10.198 -5.717 1.00 0.00 C ATOM 897 C LEU A 58 3.722 -9.840 -4.650 1.00 0.00 C ATOM 898 O LEU A 58 2.544 -9.726 -4.919 1.00 0.00 O ATOM 899 CB LEU A 58 5.232 -8.923 -6.411 1.00 0.00 C ATOM 900 CG LEU A 58 6.328 -9.270 -7.429 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.712 -8.005 -8.205 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.570 -9.832 -6.708 1.00 0.00 C ATOM 0 H LEU A 58 3.265 -10.784 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 58 5.594 -10.701 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.397 -8.435 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.617 -8.218 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 58 5.951 -10.027 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.490 -8.245 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.837 -7.619 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.083 -7.251 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.339 -10.074 -7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.955 -9.087 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.296 -10.733 -6.160 1.00 0.00 H new ATOM 914 N ALA A 59 4.168 -9.658 -3.437 1.00 0.00 N ATOM 915 CA ALA A 59 3.235 -9.299 -2.334 1.00 0.00 C ATOM 916 C ALA A 59 3.977 -8.422 -1.328 1.00 0.00 C ATOM 917 O ALA A 59 5.184 -8.486 -1.215 1.00 0.00 O ATOM 918 CB ALA A 59 2.746 -10.573 -1.644 1.00 0.00 C ATOM 0 H ALA A 59 5.146 -9.744 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 59 2.377 -8.758 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.063 -10.310 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.228 -11.202 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.599 -11.116 -1.236 1.00 0.00 H new ATOM 924 N ALA A 60 3.261 -7.597 -0.605 1.00 0.00 N ATOM 925 CA ALA A 60 3.909 -6.695 0.399 1.00 0.00 C ATOM 926 C ALA A 60 3.444 -7.077 1.802 1.00 0.00 C ATOM 927 O ALA A 60 2.310 -7.466 2.003 1.00 0.00 O ATOM 928 CB ALA A 60 3.503 -5.251 0.107 1.00 0.00 C ATOM 0 H ALA A 60 2.247 -7.509 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 60 4.993 -6.795 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.971 -4.587 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.829 -4.977 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.419 -5.157 0.175 1.00 0.00 H new ATOM 934 N LYS A 61 4.316 -6.962 2.773 1.00 0.00 N ATOM 935 CA LYS A 61 3.946 -7.311 4.177 1.00 0.00 C ATOM 936 C LYS A 61 4.312 -6.154 5.107 1.00 0.00 C ATOM 937 O LYS A 61 5.314 -5.489 4.929 1.00 0.00 O ATOM 938 CB LYS A 61 4.715 -8.558 4.606 1.00 0.00 C ATOM 939 CG LYS A 61 4.237 -8.996 5.994 1.00 0.00 C ATOM 940 CD LYS A 61 5.071 -10.189 6.467 1.00 0.00 C ATOM 941 CE LYS A 61 4.891 -11.383 5.515 1.00 0.00 C ATOM 942 NZ LYS A 61 5.985 -11.365 4.503 1.00 0.00 N ATOM 0 H LYS A 61 5.276 -6.639 2.651 1.00 0.00 H new ATOM 0 HA LYS A 61 2.874 -7.499 4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.560 -9.361 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.785 -8.350 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.330 -8.171 6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.182 -9.267 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.123 -9.909 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.772 -10.472 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.912 -12.318 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.921 -11.328 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.094 -12.314 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.750 -10.687 3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.875 -11.080 4.959 1.00 0.00 H new ATOM 956 N ALA A 62 3.501 -5.927 6.104 1.00 0.00 N ATOM 957 CA ALA A 62 3.769 -4.832 7.078 1.00 0.00 C ATOM 958 C ALA A 62 3.878 -3.492 6.347 1.00 0.00 C ATOM 959 O ALA A 62 4.941 -2.914 6.238 1.00 0.00 O ATOM 960 CB ALA A 62 5.065 -5.122 7.846 1.00 0.00 C ATOM 0 H ALA A 62 2.652 -6.462 6.287 1.00 0.00 H new ATOM 0 HA ALA A 62 2.942 -4.778 7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.255 -4.317 8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.966 -6.065 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.896 -5.190 7.144 1.00 0.00 H new ATOM 966 N ILE A 63 2.775 -2.989 5.857 1.00 0.00 N ATOM 967 CA ILE A 63 2.790 -1.679 5.141 1.00 0.00 C ATOM 968 C ILE A 63 2.418 -0.572 6.127 1.00 0.00 C ATOM 969 O ILE A 63 1.432 -0.667 6.832 1.00 0.00 O ATOM 970 CB ILE A 63 1.769 -1.713 4.007 1.00 0.00 C ATOM 971 CG1 ILE A 63 2.182 -2.778 2.991 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.719 -0.345 3.327 1.00 0.00 C ATOM 973 CD1 ILE A 63 1.037 -3.026 2.004 1.00 0.00 C ATOM 0 H ILE A 63 1.859 -3.432 5.923 1.00 0.00 H new ATOM 0 HA ILE A 63 3.782 -1.490 4.730 1.00 0.00 H new ATOM 0 HB ILE A 63 0.783 -1.953 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.074 -2.455 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.438 -3.704 3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.990 -0.368 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.429 0.413 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.702 -0.103 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.337 -3.786 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.156 -3.369 2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.802 -2.100 1.479 1.00 0.00 H new ATOM 985 N SER A 64 3.206 0.473 6.189 1.00 0.00 N ATOM 986 CA SER A 64 2.916 1.593 7.139 1.00 0.00 C ATOM 987 C SER A 64 2.990 2.930 6.408 1.00 0.00 C ATOM 988 O SER A 64 3.648 3.065 5.392 1.00 0.00 O ATOM 989 CB SER A 64 3.941 1.572 8.267 1.00 0.00 C ATOM 990 OG SER A 64 3.668 0.467 9.116 1.00 0.00 O ATOM 0 H SER A 64 4.043 0.599 5.619 1.00 0.00 H new ATOM 0 HA SER A 64 1.914 1.468 7.549 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.949 1.494 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.897 2.502 8.833 1.00 0.00 H new ATOM 0 HG SER A 64 4.323 0.444 9.844 1.00 0.00 H new ATOM 996 N LEU A 65 2.311 3.921 6.921 1.00 0.00 N ATOM 997 CA LEU A 65 2.321 5.260 6.274 1.00 0.00 C ATOM 998 C LEU A 65 3.405 6.135 6.943 1.00 0.00 C ATOM 999 O LEU A 65 3.276 6.493 8.098 1.00 0.00 O ATOM 1000 CB LEU A 65 0.946 5.922 6.458 1.00 0.00 C ATOM 1001 CG LEU A 65 0.382 5.614 7.864 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.472 6.791 8.348 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.491 4.347 7.816 1.00 0.00 C ATOM 0 H LEU A 65 1.746 3.857 7.768 1.00 0.00 H new ATOM 0 HA LEU A 65 2.536 5.156 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.034 7.000 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.256 5.560 5.695 1.00 0.00 H new ATOM 0 HG LEU A 65 1.215 5.456 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.868 6.570 9.339 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.141 7.691 8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.298 6.950 7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.884 4.138 8.811 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.319 4.502 7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.111 3.503 7.479 1.00 0.00 H new ATOM 1015 N PRO A 66 4.467 6.481 6.241 1.00 0.00 N ATOM 1016 CA PRO A 66 5.560 7.322 6.812 1.00 0.00 C ATOM 1017 C PRO A 66 5.184 8.808 6.824 1.00 0.00 C ATOM 1018 O PRO A 66 5.962 9.657 7.211 1.00 0.00 O ATOM 1019 CB PRO A 66 6.742 7.056 5.868 1.00 0.00 C ATOM 1020 CG PRO A 66 6.118 6.743 4.543 1.00 0.00 C ATOM 1021 CD PRO A 66 4.746 6.118 4.839 1.00 0.00 C ATOM 0 HA PRO A 66 5.779 7.077 7.851 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.396 7.925 5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.351 6.225 6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.011 7.646 3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.743 6.054 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.980 6.508 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.766 5.036 4.706 1.00 0.00 H new ATOM 1029 N LEU A 67 3.995 9.124 6.391 1.00 0.00 N ATOM 1030 CA LEU A 67 3.568 10.547 6.363 1.00 0.00 C ATOM 1031 C LEU A 67 3.250 11.034 7.785 1.00 0.00 C ATOM 1032 O LEU A 67 2.616 10.352 8.564 1.00 0.00 O ATOM 1033 CB LEU A 67 2.323 10.683 5.472 1.00 0.00 C ATOM 1034 CG LEU A 67 2.740 10.740 3.997 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.357 9.401 3.584 1.00 0.00 C ATOM 1036 CD2 LEU A 67 1.509 11.026 3.132 1.00 0.00 C ATOM 0 H LEU A 67 3.301 8.456 6.055 1.00 0.00 H new ATOM 0 HA LEU A 67 4.375 11.158 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.653 9.839 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.771 11.585 5.738 1.00 0.00 H new ATOM 0 HG LEU A 67 3.475 11.533 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.652 9.444 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.233 9.199 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.625 8.605 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.803 11.067 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.774 10.234 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.073 11.981 3.424 1.00 0.00 H new ATOM 1048 N GLU A 68 3.686 12.225 8.105 1.00 0.00 N ATOM 1049 CA GLU A 68 3.425 12.808 9.454 1.00 0.00 C ATOM 1050 C GLU A 68 3.908 11.865 10.558 1.00 0.00 C ATOM 1051 O GLU A 68 4.200 10.710 10.327 1.00 0.00 O ATOM 1052 CB GLU A 68 1.927 13.061 9.624 1.00 0.00 C ATOM 1053 CG GLU A 68 1.494 14.183 8.683 1.00 0.00 C ATOM 1054 CD GLU A 68 -0.019 14.379 8.788 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -0.637 13.664 9.560 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -0.534 15.240 8.094 1.00 0.00 O ATOM 0 H GLU A 68 4.220 12.827 7.478 1.00 0.00 H new ATOM 0 HA GLU A 68 3.972 13.748 9.533 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.366 12.152 9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.707 13.332 10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.010 15.108 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.770 13.939 7.657 1.00 0.00 H new ATOM 1063 N HIS A 69 3.988 12.362 11.768 1.00 0.00 N ATOM 1064 CA HIS A 69 4.444 11.512 12.904 1.00 0.00 C ATOM 1065 C HIS A 69 3.826 12.030 14.206 1.00 0.00 C ATOM 1066 O HIS A 69 3.394 13.163 14.286 1.00 0.00 O ATOM 1067 CB HIS A 69 5.973 11.553 12.998 1.00 0.00 C ATOM 1068 CG HIS A 69 6.445 12.974 13.164 1.00 0.00 C ATOM 1069 ND1 HIS A 69 6.445 13.883 12.116 1.00 0.00 N ATOM 1070 CD2 HIS A 69 6.959 13.647 14.244 1.00 0.00 C ATOM 1071 CE1 HIS A 69 6.946 15.042 12.584 1.00 0.00 C ATOM 1072 NE2 HIS A 69 7.275 14.953 13.875 1.00 0.00 N ATOM 0 H HIS A 69 3.756 13.324 12.015 1.00 0.00 H new ATOM 0 HA HIS A 69 4.127 10.482 12.740 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.309 10.949 13.841 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.412 11.119 12.100 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.097 13.228 15.230 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.067 15.934 11.988 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.672 15.684 14.465 1.00 0.00 H new ATOM 1080 N HIS A 70 3.776 11.201 15.221 1.00 0.00 N ATOM 1081 CA HIS A 70 3.181 11.624 16.530 1.00 0.00 C ATOM 1082 C HIS A 70 4.288 11.798 17.573 1.00 0.00 C ATOM 1083 O HIS A 70 5.010 10.871 17.886 1.00 0.00 O ATOM 1084 CB HIS A 70 2.203 10.547 16.997 1.00 0.00 C ATOM 1085 CG HIS A 70 1.011 10.520 16.079 1.00 0.00 C ATOM 1086 ND1 HIS A 70 1.011 9.817 14.883 1.00 0.00 N ATOM 1087 CD2 HIS A 70 -0.228 11.106 16.169 1.00 0.00 C ATOM 1088 CE1 HIS A 70 -0.193 9.997 14.308 1.00 0.00 C ATOM 1089 NE2 HIS A 70 -0.986 10.774 15.049 1.00 0.00 N ATOM 0 H HIS A 70 4.124 10.243 15.199 1.00 0.00 H new ATOM 0 HA HIS A 70 2.659 12.573 16.407 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.693 9.573 17.003 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.884 10.749 18.019 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.563 11.730 16.985 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.482 9.565 13.361 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.942 11.063 14.840 1.00 0.00 H new ATOM 1097 N HIS A 71 4.429 12.983 18.109 1.00 0.00 N ATOM 1098 CA HIS A 71 5.492 13.235 19.128 1.00 0.00 C ATOM 1099 C HIS A 71 4.901 13.109 20.538 1.00 0.00 C ATOM 1100 O HIS A 71 3.797 13.542 20.803 1.00 0.00 O ATOM 1101 CB HIS A 71 6.047 14.649 18.929 1.00 0.00 C ATOM 1102 CG HIS A 71 7.358 14.790 19.656 1.00 0.00 C ATOM 1103 ND1 HIS A 71 7.428 15.094 21.006 1.00 0.00 N ATOM 1104 CD2 HIS A 71 8.658 14.668 19.230 1.00 0.00 C ATOM 1105 CE1 HIS A 71 8.731 15.144 21.342 1.00 0.00 C ATOM 1106 NE2 HIS A 71 9.523 14.892 20.296 1.00 0.00 N ATOM 0 H HIS A 71 3.850 13.792 17.883 1.00 0.00 H new ATOM 0 HA HIS A 71 6.292 12.503 19.011 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.187 14.848 17.867 1.00 0.00 H new ATOM 0 HB3 HIS A 71 5.334 15.385 19.300 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.962 14.434 18.221 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.092 15.361 22.336 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.543 14.869 20.282 1.00 0.00 H new ATOM 1114 N HIS A 72 5.632 12.514 21.439 1.00 0.00 N ATOM 1115 CA HIS A 72 5.130 12.346 22.831 1.00 0.00 C ATOM 1116 C HIS A 72 4.837 13.713 23.456 1.00 0.00 C ATOM 1117 O HIS A 72 3.861 13.882 24.158 1.00 0.00 O ATOM 1118 CB HIS A 72 6.198 11.636 23.662 1.00 0.00 C ATOM 1119 CG HIS A 72 6.273 10.189 23.260 1.00 0.00 C ATOM 1120 ND1 HIS A 72 6.989 9.765 22.151 1.00 0.00 N ATOM 1121 CD2 HIS A 72 5.728 9.055 23.810 1.00 0.00 C ATOM 1122 CE1 HIS A 72 6.856 8.429 22.069 1.00 0.00 C ATOM 1123 NE2 HIS A 72 6.098 7.945 23.057 1.00 0.00 N ATOM 0 H HIS A 72 6.563 12.134 21.269 1.00 0.00 H new ATOM 0 HA HIS A 72 4.212 11.758 22.812 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.166 12.115 23.514 1.00 0.00 H new ATOM 0 HB3 HIS A 72 5.961 11.717 24.723 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.107 9.029 24.693 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.307 7.822 21.298 1.00 0.00 H new ATOM 0 HE2 HIS A 72 5.845 6.971 23.224 1.00 0.00 H new ATOM 1131 N HIS A 73 5.682 14.687 23.218 1.00 0.00 N ATOM 1132 CA HIS A 73 5.466 16.047 23.810 1.00 0.00 C ATOM 1133 C HIS A 73 5.024 17.028 22.722 1.00 0.00 C ATOM 1134 O HIS A 73 5.654 17.161 21.692 1.00 0.00 O ATOM 1135 CB HIS A 73 6.773 16.530 24.440 1.00 0.00 C ATOM 1136 CG HIS A 73 7.136 15.613 25.575 1.00 0.00 C ATOM 1137 ND1 HIS A 73 6.416 15.581 26.759 1.00 0.00 N ATOM 1138 CD2 HIS A 73 8.136 14.682 25.720 1.00 0.00 C ATOM 1139 CE1 HIS A 73 6.987 14.660 27.557 1.00 0.00 C ATOM 1140 NE2 HIS A 73 8.040 14.082 26.972 1.00 0.00 N ATOM 0 H HIS A 73 6.516 14.599 22.637 1.00 0.00 H new ATOM 0 HA HIS A 73 4.688 15.993 24.571 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.569 16.541 23.695 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.662 17.552 24.802 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.883 14.451 24.975 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.637 14.418 28.549 1.00 0.00 H new ATOM 0 HE2 HIS A 73 8.644 13.357 27.360 1.00 0.00 H new ATOM 1148 N HIS A 74 3.937 17.711 22.953 1.00 0.00 N ATOM 1149 CA HIS A 74 3.425 18.688 21.953 1.00 0.00 C ATOM 1150 C HIS A 74 4.443 19.817 21.765 1.00 0.00 C ATOM 1151 O HIS A 74 4.482 20.379 20.684 1.00 0.00 O ATOM 1152 CB HIS A 74 2.110 19.269 22.470 1.00 0.00 C ATOM 1153 CG HIS A 74 1.576 20.275 21.491 1.00 0.00 C ATOM 1154 ND1 HIS A 74 0.998 19.902 20.290 1.00 0.00 N ATOM 1155 CD2 HIS A 74 1.522 21.647 21.524 1.00 0.00 C ATOM 1156 CE1 HIS A 74 0.624 21.025 19.652 1.00 0.00 C ATOM 1157 NE2 HIS A 74 0.921 22.119 20.360 1.00 0.00 N ATOM 1158 OXT HIS A 74 5.165 20.101 22.707 1.00 0.00 O ATOM 0 H HIS A 74 3.376 17.632 23.801 1.00 0.00 H new ATOM 0 HA HIS A 74 3.266 18.191 20.996 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.383 18.471 22.618 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.267 19.740 23.440 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.890 22.265 22.330 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.142 21.041 18.685 1.00 0.00 H new ATOM 0 HE2 HIS A 74 0.745 23.090 20.103 1.00 0.00 H new TER 1166 HIS A 74