USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 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 54 LYS NZ :NH3+ -148:sc= 1.08 (180deg=-0.702!) USER MOD Set 1.2: A 58 THR OG1 : rot 83:sc= 1.17 USER MOD Set 2.1: A 38 TYR OH : rot 29:sc= 1.86 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -169:sc= 0.643 (180deg=0) USER MOD Set 3.1: A 41 MET CE :methyl 176:sc= -0.448 (180deg=-0.515) USER MOD Set 3.2: A 76 MET CE :methyl -144:sc= -0.68 (180deg=-2.47!) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -175:sc= -0.351 (180deg=-0.111) USER MOD Set 4.2: A 32 GLN : amide:sc= 0.477 K(o=0.59,f=-1.1!) USER MOD Set 4.3: A 40 LYS NZ :NH3+ 179:sc= 0.464 (180deg=0.553) USER MOD Set 4.4: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 7 TYR OH : rot 180:sc= -0.502 USER MOD Set 5.2: A 14 HIS : no HD1:sc= -1.04 X(o=-1.5,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc=-0.000792 (180deg=-0.0559) USER MOD Single : A 9 SER OG : rot 90:sc= 1.07 USER MOD Single : A 10 CYS SG : rot 163:sc= -0.902 USER MOD Single : A 13 CYS SG : rot 180:sc= -1.78 USER MOD Single : A 19 SER OG : rot -54:sc= 1.04 USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.0127 (180deg=-0.215) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 85:sc= 0.582 USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.18) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc=-0.00761 (180deg=-0.141) USER MOD Single : A 44 TYR OH : rot 98:sc= 0.812 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 167:sc= -0.976 (180deg=-1.74) USER MOD Single : A 59 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 0.663 (180deg=0.269) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 0.675 (180deg=0.0362) USER MOD Single : A 64 TYR OH : rot 126:sc= 1.18 USER MOD Single : A 65 SER OG : rot 20:sc= 0.379 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -160:sc= 1.27 USER MOD Single : A 77 SER OG : rot -26:sc= 0.687 USER MOD Single : A 78 LYS NZ :NH3+ -140:sc= 0.645 (180deg=0.0626) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 0.606 -13.241 -4.377 1.00 0.00 N ATOM 7 CA ASP A 2 1.876 -12.837 -3.779 1.00 0.00 C ATOM 8 C ASP A 2 1.994 -11.314 -3.634 1.00 0.00 C ATOM 9 O ASP A 2 1.976 -10.581 -4.625 1.00 0.00 O ATOM 10 CB ASP A 2 3.036 -13.369 -4.631 1.00 0.00 C ATOM 11 CG ASP A 2 4.396 -12.835 -4.182 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.526 -12.482 -2.987 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.281 -12.769 -5.059 1.00 0.00 O ATOM 0 HA ASP A 2 1.918 -13.263 -2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.045 -14.458 -4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.870 -13.096 -5.673 1.00 0.00 H new ATOM 14 N GLY A 3 2.167 -10.849 -2.395 1.00 0.00 N ATOM 15 CA GLY A 3 2.327 -9.445 -2.085 1.00 0.00 C ATOM 16 C GLY A 3 3.502 -8.864 -2.860 1.00 0.00 C ATOM 17 O GLY A 3 3.393 -7.786 -3.431 1.00 0.00 O ATOM 0 H GLY A 3 2.199 -11.454 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.414 -8.904 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.490 -9.318 -1.015 1.00 0.00 H new ATOM 18 N ALA A 4 4.624 -9.582 -2.928 1.00 0.00 N ATOM 19 CA ALA A 4 5.779 -9.087 -3.662 1.00 0.00 C ATOM 20 C ALA A 4 5.481 -8.881 -5.146 1.00 0.00 C ATOM 21 O ALA A 4 6.159 -8.082 -5.785 1.00 0.00 O ATOM 22 CB ALA A 4 6.958 -10.051 -3.493 1.00 0.00 C ATOM 0 H ALA A 4 4.753 -10.494 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 4 6.035 -8.113 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.819 -9.674 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.212 -10.133 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.683 -11.033 -3.877 1.00 0.00 H new ATOM 23 N ALA A 5 4.488 -9.582 -5.703 1.00 0.00 N ATOM 24 CA ALA A 5 4.140 -9.426 -7.101 1.00 0.00 C ATOM 25 C ALA A 5 3.174 -8.258 -7.210 1.00 0.00 C ATOM 26 O ALA A 5 3.396 -7.340 -7.995 1.00 0.00 O ATOM 27 CB ALA A 5 3.528 -10.721 -7.643 1.00 0.00 C ATOM 0 H ALA A 5 3.917 -10.260 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 5 5.026 -9.220 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.271 -10.590 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.248 -11.533 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.628 -10.963 -7.077 1.00 0.00 H new ATOM 28 N LEU A 6 2.119 -8.264 -6.389 1.00 0.00 N ATOM 29 CA LEU A 6 1.128 -7.219 -6.402 1.00 0.00 C ATOM 30 C LEU A 6 1.788 -5.855 -6.189 1.00 0.00 C ATOM 31 O LEU A 6 1.500 -4.921 -6.942 1.00 0.00 O ATOM 32 CB LEU A 6 0.103 -7.532 -5.310 1.00 0.00 C ATOM 33 CG LEU A 6 -0.783 -8.756 -5.587 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.528 -9.117 -4.298 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.804 -8.479 -6.697 1.00 0.00 C ATOM 0 H LEU A 6 1.941 -8.998 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 6 0.624 -7.176 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.632 -7.690 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.538 -6.661 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.146 -9.577 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.163 -9.985 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.807 -9.349 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.145 -8.274 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.411 -9.369 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.448 -7.651 -6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.280 -8.220 -7.617 1.00 0.00 H new ATOM 36 N TYR A 7 2.705 -5.734 -5.214 1.00 0.00 N ATOM 37 CA TYR A 7 3.317 -4.447 -4.937 1.00 0.00 C ATOM 38 C TYR A 7 4.162 -3.881 -6.088 1.00 0.00 C ATOM 39 O TYR A 7 4.466 -2.685 -6.076 1.00 0.00 O ATOM 40 CB TYR A 7 4.087 -4.519 -3.608 1.00 0.00 C ATOM 41 CG TYR A 7 4.067 -3.218 -2.825 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.843 -2.563 -2.592 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.237 -2.697 -2.246 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.822 -1.290 -2.016 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.201 -1.449 -1.599 1.00 0.00 C ATOM 46 CZ TYR A 7 4.021 -0.689 -1.610 1.00 0.00 C ATOM 47 OH TYR A 7 4.017 0.574 -1.104 1.00 0.00 O ATOM 0 H TYR A 7 3.026 -6.500 -4.622 1.00 0.00 H new ATOM 0 HA TYR A 7 2.509 -3.722 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.660 -5.311 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.122 -4.796 -3.811 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.915 -3.047 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.161 -3.254 -2.298 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.884 -0.771 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.080 -1.076 -1.094 1.00 0.00 H new ATOM 0 HH TYR A 7 4.932 0.836 -0.872 1.00 0.00 H new ATOM 48 N LYS A 8 4.526 -4.678 -7.103 1.00 0.00 N ATOM 49 CA LYS A 8 5.292 -4.149 -8.235 1.00 0.00 C ATOM 50 C LYS A 8 4.554 -2.950 -8.848 1.00 0.00 C ATOM 51 O LYS A 8 5.162 -1.940 -9.196 1.00 0.00 O ATOM 52 CB LYS A 8 5.504 -5.231 -9.300 1.00 0.00 C ATOM 53 CG LYS A 8 6.409 -6.357 -8.788 1.00 0.00 C ATOM 54 CD LYS A 8 6.483 -7.534 -9.771 1.00 0.00 C ATOM 55 CE LYS A 8 7.027 -7.156 -11.156 1.00 0.00 C ATOM 56 NZ LYS A 8 8.355 -6.524 -11.075 1.00 0.00 N ATOM 0 H LYS A 8 4.306 -5.672 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 8 6.268 -3.826 -7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.540 -5.645 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.946 -4.784 -10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.412 -5.965 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.037 -6.711 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.115 -8.312 -9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.487 -7.961 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.088 -8.049 -11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.331 -6.475 -11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.722 -6.362 -12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.277 -5.615 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.006 -7.148 -10.557 1.00 0.00 H new ATOM 57 N SER A 9 3.224 -3.046 -8.913 1.00 0.00 N ATOM 58 CA SER A 9 2.318 -2.042 -9.449 1.00 0.00 C ATOM 59 C SER A 9 2.280 -0.744 -8.624 1.00 0.00 C ATOM 60 O SER A 9 1.606 0.206 -9.011 1.00 0.00 O ATOM 61 CB SER A 9 0.911 -2.665 -9.462 1.00 0.00 C ATOM 62 OG SER A 9 0.969 -4.081 -9.549 1.00 0.00 O ATOM 0 H SER A 9 2.730 -3.871 -8.574 1.00 0.00 H new ATOM 0 HA SER A 9 2.669 -1.763 -10.443 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.376 -2.377 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.345 -2.271 -10.306 1.00 0.00 H new ATOM 0 HG SER A 9 0.996 -4.463 -8.647 1.00 0.00 H new ATOM 63 N CYS A 10 2.968 -0.713 -7.481 1.00 0.00 N ATOM 64 CA CYS A 10 2.998 0.361 -6.505 1.00 0.00 C ATOM 65 C CYS A 10 4.392 0.965 -6.421 1.00 0.00 C ATOM 66 O CYS A 10 4.542 2.182 -6.285 1.00 0.00 O ATOM 67 CB CYS A 10 2.593 -0.260 -5.167 1.00 0.00 C ATOM 68 SG CYS A 10 1.218 -1.450 -5.272 1.00 0.00 S ATOM 0 H CYS A 10 3.558 -1.496 -7.200 1.00 0.00 H new ATOM 0 HA CYS A 10 2.319 1.167 -6.782 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.459 -0.762 -4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.314 0.539 -4.480 1.00 0.00 H new ATOM 0 HG CYS A 10 1.192 -2.179 -4.196 1.00 0.00 H new ATOM 69 N ILE A 11 5.409 0.099 -6.516 1.00 0.00 N ATOM 70 CA ILE A 11 6.824 0.454 -6.495 1.00 0.00 C ATOM 71 C ILE A 11 7.099 1.653 -7.414 1.00 0.00 C ATOM 72 O ILE A 11 7.969 2.463 -7.108 1.00 0.00 O ATOM 73 CB ILE A 11 7.658 -0.806 -6.834 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.322 -1.354 -5.561 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.765 -0.550 -7.864 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.313 -1.892 -4.545 1.00 0.00 C ATOM 0 H ILE A 11 5.257 -0.905 -6.613 1.00 0.00 H new ATOM 0 HA ILE A 11 7.125 0.784 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 11 6.955 -1.519 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.015 -2.150 -5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.911 -0.564 -5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.308 -1.476 -8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.322 -0.193 -8.794 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.454 0.202 -7.479 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.843 -2.265 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.635 -1.092 -4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.741 -2.703 -4.995 1.00 0.00 H new ATOM 77 N GLY A 12 6.362 1.792 -8.522 1.00 0.00 N ATOM 78 CA GLY A 12 6.510 2.921 -9.431 1.00 0.00 C ATOM 79 C GLY A 12 6.453 4.267 -8.693 1.00 0.00 C ATOM 80 O GLY A 12 7.223 5.171 -9.005 1.00 0.00 O ATOM 0 H GLY A 12 5.648 1.122 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.459 2.838 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.722 2.886 -10.183 1.00 0.00 H new ATOM 81 N CYS A 13 5.542 4.403 -7.720 1.00 0.00 N ATOM 82 CA CYS A 13 5.383 5.618 -6.918 1.00 0.00 C ATOM 83 C CYS A 13 6.181 5.500 -5.628 1.00 0.00 C ATOM 84 O CYS A 13 6.904 6.410 -5.234 1.00 0.00 O ATOM 85 CB CYS A 13 3.915 5.814 -6.535 1.00 0.00 C ATOM 86 SG CYS A 13 3.493 7.439 -5.869 1.00 0.00 S ATOM 0 H CYS A 13 4.888 3.662 -7.467 1.00 0.00 H new ATOM 0 HA CYS A 13 5.736 6.460 -7.513 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.301 5.632 -7.417 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.646 5.058 -5.797 1.00 0.00 H new ATOM 0 HG CYS A 13 2.225 7.476 -5.587 1.00 0.00 H new ATOM 87 N HIS A 14 6.030 4.345 -4.977 1.00 0.00 N ATOM 88 CA HIS A 14 6.642 4.024 -3.700 1.00 0.00 C ATOM 89 C HIS A 14 8.173 3.959 -3.743 1.00 0.00 C ATOM 90 O HIS A 14 8.815 4.012 -2.695 1.00 0.00 O ATOM 91 CB HIS A 14 5.957 2.750 -3.199 1.00 0.00 C ATOM 92 CG HIS A 14 4.637 3.102 -2.573 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.569 3.726 -1.338 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.341 3.054 -3.027 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.299 4.116 -1.164 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.479 3.617 -2.092 1.00 0.00 N ATOM 0 H HIS A 14 5.457 3.585 -5.343 1.00 0.00 H new ATOM 0 HA HIS A 14 6.482 4.830 -2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.806 2.057 -4.026 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.593 2.245 -2.472 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.035 2.638 -3.976 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.975 4.762 -0.362 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.459 3.643 -2.111 1.00 0.00 H new ATOM 97 N GLY A 15 8.763 3.840 -4.931 1.00 0.00 N ATOM 98 CA GLY A 15 10.196 3.857 -5.142 1.00 0.00 C ATOM 99 C GLY A 15 10.960 2.653 -4.605 1.00 0.00 C ATOM 100 O GLY A 15 11.060 2.453 -3.392 1.00 0.00 O ATOM 0 H GLY A 15 8.234 3.726 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.386 3.936 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.602 4.757 -4.679 1.00 0.00 H new ATOM 101 N ALA A 16 11.548 1.892 -5.534 1.00 0.00 N ATOM 102 CA ALA A 16 12.392 0.721 -5.327 1.00 0.00 C ATOM 103 C ALA A 16 11.700 -0.412 -4.567 1.00 0.00 C ATOM 104 O ALA A 16 11.502 -1.482 -5.133 1.00 0.00 O ATOM 105 CB ALA A 16 13.696 1.132 -4.633 1.00 0.00 C ATOM 0 H ALA A 16 11.434 2.099 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 16 12.613 0.317 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.321 0.252 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.228 1.852 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.468 1.585 -3.668 1.00 0.00 H new ATOM 106 N ASP A 17 11.357 -0.197 -3.295 1.00 0.00 N ATOM 107 CA ASP A 17 10.728 -1.152 -2.428 1.00 0.00 C ATOM 108 C ASP A 17 10.196 -0.355 -1.232 1.00 0.00 C ATOM 109 O ASP A 17 10.686 -0.486 -0.116 1.00 0.00 O ATOM 110 CB ASP A 17 11.759 -2.239 -2.058 1.00 0.00 C ATOM 111 CG ASP A 17 11.132 -3.573 -1.687 1.00 0.00 C ATOM 112 OD1 ASP A 17 10.030 -3.865 -2.202 1.00 0.00 O ATOM 113 OD2 ASP A 17 11.788 -4.313 -0.924 1.00 0.00 O ATOM 0 H ASP A 17 11.526 0.697 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 17 9.892 -1.681 -2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.436 -2.387 -2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.362 -1.886 -1.222 1.00 0.00 H new ATOM 114 N GLY A 18 9.252 0.557 -1.498 1.00 0.00 N ATOM 115 CA GLY A 18 8.634 1.417 -0.491 1.00 0.00 C ATOM 116 C GLY A 18 9.602 2.394 0.167 1.00 0.00 C ATOM 117 O GLY A 18 9.334 2.845 1.280 1.00 0.00 O ATOM 0 H GLY A 18 8.892 0.718 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.825 1.980 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.185 0.791 0.280 1.00 0.00 H new ATOM 118 N SER A 19 10.682 2.769 -0.525 1.00 0.00 N ATOM 119 CA SER A 19 11.700 3.648 0.038 1.00 0.00 C ATOM 120 C SER A 19 11.445 5.140 -0.194 1.00 0.00 C ATOM 121 O SER A 19 11.946 5.949 0.584 1.00 0.00 O ATOM 122 CB SER A 19 13.068 3.261 -0.538 1.00 0.00 C ATOM 123 OG SER A 19 13.141 3.500 -1.932 1.00 0.00 O ATOM 0 H SER A 19 10.870 2.473 -1.483 1.00 0.00 H new ATOM 0 HA SER A 19 11.668 3.507 1.118 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.849 3.828 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.260 2.207 -0.340 1.00 0.00 H new ATOM 0 HG SER A 19 12.401 3.041 -2.382 1.00 0.00 H new ATOM 124 N LYS A 20 10.704 5.522 -1.241 1.00 0.00 N ATOM 125 CA LYS A 20 10.487 6.926 -1.566 1.00 0.00 C ATOM 126 C LYS A 20 9.110 7.421 -1.137 1.00 0.00 C ATOM 127 O LYS A 20 8.130 6.678 -1.074 1.00 0.00 O ATOM 128 CB LYS A 20 10.707 7.154 -3.066 1.00 0.00 C ATOM 129 CG LYS A 20 12.127 6.724 -3.462 1.00 0.00 C ATOM 130 CD LYS A 20 12.419 7.044 -4.934 1.00 0.00 C ATOM 131 CE LYS A 20 13.828 6.585 -5.333 1.00 0.00 C ATOM 132 NZ LYS A 20 13.999 5.126 -5.200 1.00 0.00 N ATOM 0 H LYS A 20 10.245 4.870 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 20 11.214 7.510 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.974 6.587 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.556 8.206 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.853 7.232 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.246 5.654 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.681 6.554 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.322 8.117 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.026 6.879 -6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.564 7.093 -4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.874 4.834 -5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.056 4.874 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.188 4.640 -5.633 1.00 0.00 H new ATOM 133 N ALA A 21 9.057 8.724 -0.860 1.00 0.00 N ATOM 134 CA ALA A 21 7.857 9.408 -0.433 1.00 0.00 C ATOM 135 C ALA A 21 6.947 9.599 -1.649 1.00 0.00 C ATOM 136 O ALA A 21 7.027 10.595 -2.362 1.00 0.00 O ATOM 137 CB ALA A 21 8.255 10.703 0.283 1.00 0.00 C ATOM 0 H ALA A 21 9.869 9.338 -0.931 1.00 0.00 H new ATOM 0 HA ALA A 21 7.281 8.831 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.358 11.228 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.872 10.465 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.819 11.338 -0.400 1.00 0.00 H new ATOM 138 N ALA A 22 6.096 8.595 -1.868 1.00 0.00 N ATOM 139 CA ALA A 22 5.118 8.398 -2.933 1.00 0.00 C ATOM 140 C ALA A 22 4.303 9.621 -3.388 1.00 0.00 C ATOM 141 O ALA A 22 3.093 9.646 -3.219 1.00 0.00 O ATOM 142 CB ALA A 22 4.251 7.229 -2.456 1.00 0.00 C ATOM 0 H ALA A 22 6.076 7.806 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 22 5.649 8.190 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.486 7.015 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.876 6.347 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.773 7.492 -1.512 1.00 0.00 H new ATOM 143 N MET A 23 4.946 10.602 -4.030 1.00 0.00 N ATOM 144 CA MET A 23 4.375 11.830 -4.606 1.00 0.00 C ATOM 145 C MET A 23 3.688 12.708 -3.557 1.00 0.00 C ATOM 146 O MET A 23 4.125 13.828 -3.308 1.00 0.00 O ATOM 147 CB MET A 23 3.413 11.498 -5.757 1.00 0.00 C ATOM 148 CG MET A 23 4.106 10.707 -6.870 1.00 0.00 C ATOM 149 SD MET A 23 5.386 11.601 -7.786 1.00 0.00 S ATOM 150 CE MET A 23 5.992 10.263 -8.836 1.00 0.00 C ATOM 0 H MET A 23 5.955 10.558 -4.173 1.00 0.00 H new ATOM 0 HA MET A 23 5.209 12.409 -5.003 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.571 10.922 -5.372 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.006 12.422 -6.168 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.554 9.815 -6.432 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.348 10.369 -7.577 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.793 10.636 -9.474 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.372 9.454 -8.212 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.177 9.890 -9.457 1.00 0.00 H new ATOM 151 N GLY A 24 2.588 12.230 -2.968 1.00 0.00 N ATOM 152 CA GLY A 24 1.882 12.926 -1.902 1.00 0.00 C ATOM 153 C GLY A 24 2.865 13.202 -0.765 1.00 0.00 C ATOM 154 O GLY A 24 2.779 14.237 -0.109 1.00 0.00 O ATOM 0 H GLY A 24 2.163 11.339 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.462 13.860 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.048 12.322 -1.543 1.00 0.00 H new ATOM 155 N SER A 25 3.814 12.271 -0.597 1.00 0.00 N ATOM 156 CA SER A 25 4.937 12.216 0.329 1.00 0.00 C ATOM 157 C SER A 25 4.703 11.097 1.341 1.00 0.00 C ATOM 158 O SER A 25 4.635 11.365 2.538 1.00 0.00 O ATOM 159 CB SER A 25 5.217 13.547 1.049 1.00 0.00 C ATOM 160 OG SER A 25 5.436 14.586 0.117 1.00 0.00 O ATOM 0 H SER A 25 3.804 11.437 -1.185 1.00 0.00 H new ATOM 0 HA SER A 25 5.828 12.012 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.375 13.801 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.090 13.440 1.693 1.00 0.00 H new ATOM 0 HG SER A 25 4.575 14.967 -0.157 1.00 0.00 H new ATOM 161 N ALA A 26 4.599 9.838 0.892 1.00 0.00 N ATOM 162 CA ALA A 26 4.358 8.777 1.854 1.00 0.00 C ATOM 163 C ALA A 26 5.487 8.590 2.854 1.00 0.00 C ATOM 164 O ALA A 26 6.630 8.365 2.464 1.00 0.00 O ATOM 165 CB ALA A 26 4.138 7.449 1.129 1.00 0.00 C ATOM 0 H ALA A 26 4.675 9.547 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 26 3.470 9.080 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.958 6.661 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.276 7.534 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.023 7.204 0.542 1.00 0.00 H new ATOM 166 N LYS A 27 5.164 8.678 4.148 1.00 0.00 N ATOM 167 CA LYS A 27 6.111 8.360 5.203 1.00 0.00 C ATOM 168 C LYS A 27 6.584 6.943 4.831 1.00 0.00 C ATOM 169 O LYS A 27 5.718 6.073 4.703 1.00 0.00 O ATOM 170 CB LYS A 27 5.425 8.416 6.582 1.00 0.00 C ATOM 171 CG LYS A 27 3.979 7.886 6.595 1.00 0.00 C ATOM 172 CD LYS A 27 3.485 7.641 8.026 1.00 0.00 C ATOM 173 CE LYS A 27 2.010 7.215 8.025 1.00 0.00 C ATOM 174 NZ LYS A 27 1.799 5.936 7.323 1.00 0.00 N ATOM 0 H LYS A 27 4.246 8.969 4.484 1.00 0.00 H new ATOM 0 HA LYS A 27 6.943 9.061 5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.017 7.839 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.424 9.448 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.323 8.602 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.925 6.958 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.092 6.868 8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.606 8.548 8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.659 7.125 9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.410 7.991 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.781 5.731 7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.186 6.001 6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.281 5.173 7.839 1.00 0.00 H new ATOM 175 N PRO A 28 7.889 6.727 4.574 1.00 0.00 N ATOM 176 CA PRO A 28 8.469 5.473 4.114 1.00 0.00 C ATOM 177 C PRO A 28 7.616 4.235 4.382 1.00 0.00 C ATOM 178 O PRO A 28 7.563 3.758 5.514 1.00 0.00 O ATOM 179 CB PRO A 28 9.842 5.414 4.780 1.00 0.00 C ATOM 180 CG PRO A 28 10.274 6.877 4.671 1.00 0.00 C ATOM 181 CD PRO A 28 8.969 7.651 4.891 1.00 0.00 C ATOM 0 HA PRO A 28 8.537 5.459 3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.786 5.075 5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.525 4.741 4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.023 7.132 5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.711 7.095 3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.893 8.000 5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.927 8.533 4.251 1.00 0.00 H new ATOM 182 N VAL A 29 6.925 3.733 3.344 1.00 0.00 N ATOM 183 CA VAL A 29 6.109 2.531 3.479 1.00 0.00 C ATOM 184 C VAL A 29 7.065 1.436 3.987 1.00 0.00 C ATOM 185 O VAL A 29 6.676 0.586 4.786 1.00 0.00 O ATOM 186 CB VAL A 29 5.367 2.201 2.169 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.747 0.805 2.202 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.162 3.136 1.990 1.00 0.00 C ATOM 0 H VAL A 29 6.920 4.144 2.410 1.00 0.00 H new ATOM 0 HA VAL A 29 5.294 2.649 4.193 1.00 0.00 H new ATOM 0 HB VAL A 29 6.110 2.296 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.234 0.612 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.531 0.062 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.033 0.743 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.647 2.892 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.477 3.011 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.506 4.170 1.954 1.00 0.00 H new ATOM 189 N LYS A 30 8.331 1.473 3.544 1.00 0.00 N ATOM 190 CA LYS A 30 9.395 0.613 4.020 1.00 0.00 C ATOM 191 C LYS A 30 9.632 0.866 5.498 1.00 0.00 C ATOM 192 O LYS A 30 10.380 1.758 5.894 1.00 0.00 O ATOM 193 CB LYS A 30 10.655 0.858 3.202 1.00 0.00 C ATOM 194 CG LYS A 30 11.952 0.210 3.715 1.00 0.00 C ATOM 195 CD LYS A 30 13.012 0.285 2.609 1.00 0.00 C ATOM 196 CE LYS A 30 14.312 -0.420 3.011 1.00 0.00 C ATOM 197 NZ LYS A 30 14.161 -1.887 3.022 1.00 0.00 N ATOM 0 H LYS A 30 8.639 2.126 2.823 1.00 0.00 H new ATOM 0 HA LYS A 30 9.112 -0.433 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.476 0.502 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.815 1.934 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.303 0.724 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.771 -0.828 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.620 -0.169 1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.222 1.329 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.105 -0.142 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.619 -0.079 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.085 -2.330 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.496 -2.162 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.795 -2.205 2.102 1.00 0.00 H new ATOM 198 N GLY A 31 8.958 0.045 6.287 1.00 0.00 N ATOM 199 CA GLY A 31 9.023 0.057 7.737 1.00 0.00 C ATOM 200 C GLY A 31 7.641 0.143 8.369 1.00 0.00 C ATOM 201 O GLY A 31 7.517 -0.074 9.574 1.00 0.00 O ATOM 0 H GLY A 31 8.330 -0.671 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.525 -0.846 8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.625 0.904 8.066 1.00 0.00 H new ATOM 202 N GLN A 32 6.600 0.484 7.600 1.00 0.00 N ATOM 203 CA GLN A 32 5.267 0.545 8.159 1.00 0.00 C ATOM 204 C GLN A 32 4.862 -0.892 8.549 1.00 0.00 C ATOM 205 O GLN A 32 5.290 -1.850 7.909 1.00 0.00 O ATOM 206 CB GLN A 32 4.302 1.194 7.161 1.00 0.00 C ATOM 207 CG GLN A 32 4.436 2.721 6.953 1.00 0.00 C ATOM 208 CD GLN A 32 3.345 3.253 6.006 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.249 2.703 6.001 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.584 4.290 5.190 1.00 0.00 N ATOM 0 H GLN A 32 6.663 0.716 6.609 1.00 0.00 H new ATOM 0 HA GLN A 32 5.234 1.170 9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.434 0.707 6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.284 0.984 7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.365 3.229 7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.420 2.950 6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.497 4.745 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.853 4.624 4.562 1.00 0.00 H new ATOM 211 N GLY A 33 4.051 -1.061 9.599 1.00 0.00 N ATOM 212 CA GLY A 33 3.672 -2.388 10.095 1.00 0.00 C ATOM 213 C GLY A 33 2.464 -2.992 9.378 1.00 0.00 C ATOM 214 O GLY A 33 1.536 -2.269 9.048 1.00 0.00 O ATOM 0 H GLY A 33 3.642 -0.289 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.522 -3.062 9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.453 -2.319 11.161 1.00 0.00 H new ATOM 215 N ALA A 34 2.439 -4.316 9.170 1.00 0.00 N ATOM 216 CA ALA A 34 1.373 -5.059 8.501 1.00 0.00 C ATOM 217 C ALA A 34 -0.002 -4.654 9.007 1.00 0.00 C ATOM 218 O ALA A 34 -0.906 -4.436 8.212 1.00 0.00 O ATOM 219 CB ALA A 34 1.561 -6.566 8.718 1.00 0.00 C ATOM 0 H ALA A 34 3.199 -4.922 9.480 1.00 0.00 H new ATOM 0 HA ALA A 34 1.433 -4.822 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.761 -7.109 8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.523 -6.875 8.308 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.533 -6.786 9.785 1.00 0.00 H new ATOM 220 N GLU A 35 -0.162 -4.576 10.329 1.00 0.00 N ATOM 221 CA GLU A 35 -1.424 -4.177 10.942 1.00 0.00 C ATOM 222 C GLU A 35 -1.834 -2.813 10.381 1.00 0.00 C ATOM 223 O GLU A 35 -2.942 -2.637 9.877 1.00 0.00 O ATOM 224 CB GLU A 35 -1.244 -4.165 12.471 1.00 0.00 C ATOM 225 CG GLU A 35 -2.463 -3.631 13.244 1.00 0.00 C ATOM 226 CD GLU A 35 -2.536 -2.104 13.276 1.00 0.00 C ATOM 227 OE1 GLU A 35 -1.509 -1.492 13.639 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.616 -1.576 12.934 1.00 0.00 O ATOM 0 H GLU A 35 0.577 -4.787 11.000 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.225 -4.879 10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.029 -5.179 12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.375 -3.556 12.719 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.373 -4.022 12.789 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.430 -4.008 14.266 1.00 0.00 H new ATOM 229 N GLU A 36 -0.901 -1.863 10.458 1.00 0.00 N ATOM 230 CA GLU A 36 -1.061 -0.502 9.985 1.00 0.00 C ATOM 231 C GLU A 36 -1.471 -0.538 8.515 1.00 0.00 C ATOM 232 O GLU A 36 -2.560 -0.108 8.142 1.00 0.00 O ATOM 233 CB GLU A 36 0.284 0.231 10.181 1.00 0.00 C ATOM 234 CG GLU A 36 0.152 1.755 10.252 1.00 0.00 C ATOM 235 CD GLU A 36 1.495 2.456 10.029 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.537 1.791 10.232 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.452 3.645 9.644 1.00 0.00 O ATOM 0 H GLU A 36 0.017 -2.034 10.868 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.836 0.028 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.752 -0.127 11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.952 -0.029 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.563 2.093 9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.249 2.040 11.225 1.00 0.00 H new ATOM 238 N LEU A 37 -0.586 -1.099 7.693 1.00 0.00 N ATOM 239 CA LEU A 37 -0.739 -1.231 6.268 1.00 0.00 C ATOM 240 C LEU A 37 -2.074 -1.868 5.903 1.00 0.00 C ATOM 241 O LEU A 37 -2.738 -1.401 4.988 1.00 0.00 O ATOM 242 CB LEU A 37 0.421 -2.046 5.674 1.00 0.00 C ATOM 243 CG LEU A 37 1.810 -1.422 5.890 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.895 -2.500 5.854 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.093 -0.422 4.775 1.00 0.00 C ATOM 0 H LEU A 37 0.294 -1.488 8.031 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.721 -0.228 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.411 -3.043 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.253 -2.168 4.604 1.00 0.00 H new ATOM 0 HG LEU A 37 1.819 -0.929 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.871 -2.039 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.709 -3.230 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.879 -3.000 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.077 0.022 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.069 -0.934 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.336 0.362 4.788 1.00 0.00 H new ATOM 246 N TYR A 38 -2.491 -2.919 6.604 1.00 0.00 N ATOM 247 CA TYR A 38 -3.728 -3.606 6.308 1.00 0.00 C ATOM 248 C TYR A 38 -4.907 -2.728 6.649 1.00 0.00 C ATOM 249 O TYR A 38 -5.832 -2.606 5.855 1.00 0.00 O ATOM 250 CB TYR A 38 -3.785 -4.884 7.134 1.00 0.00 C ATOM 251 CG TYR A 38 -5.068 -5.680 6.983 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.274 -6.508 5.862 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.093 -5.526 7.935 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.488 -7.206 5.714 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.310 -6.208 7.777 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.504 -7.057 6.676 1.00 0.00 C ATOM 257 OH TYR A 38 -8.709 -7.677 6.527 1.00 0.00 O ATOM 0 H TYR A 38 -1.975 -3.312 7.391 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.768 -3.844 5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.944 -5.519 6.854 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.654 -4.627 8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.500 -6.608 5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.943 -4.882 8.789 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.639 -7.855 4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.098 -6.079 8.504 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.591 -8.503 6.013 1.00 0.00 H new ATOM 258 N LYS A 39 -4.877 -2.115 7.829 1.00 0.00 N ATOM 259 CA LYS A 39 -5.995 -1.292 8.251 1.00 0.00 C ATOM 260 C LYS A 39 -6.144 -0.100 7.314 1.00 0.00 C ATOM 261 O LYS A 39 -7.254 0.273 6.938 1.00 0.00 O ATOM 262 CB LYS A 39 -5.780 -0.869 9.711 1.00 0.00 C ATOM 263 CG LYS A 39 -6.967 -0.061 10.256 1.00 0.00 C ATOM 264 CD LYS A 39 -6.797 0.283 11.744 1.00 0.00 C ATOM 265 CE LYS A 39 -6.906 -0.927 12.683 1.00 0.00 C ATOM 266 NZ LYS A 39 -8.217 -1.591 12.585 1.00 0.00 N ATOM 0 H LYS A 39 -4.106 -2.173 8.494 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.927 -1.855 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.631 -1.756 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.871 -0.273 9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.073 0.859 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.886 -0.630 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.825 0.755 11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.552 1.017 12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.119 -1.643 12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.740 -0.603 13.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.317 -2.279 13.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.972 -0.880 12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.289 -2.084 11.672 1.00 0.00 H new ATOM 267 N LYS A 40 -5.020 0.476 6.901 1.00 0.00 N ATOM 268 CA LYS A 40 -5.011 1.636 6.051 1.00 0.00 C ATOM 269 C LYS A 40 -5.391 1.274 4.617 1.00 0.00 C ATOM 270 O LYS A 40 -6.230 1.938 4.010 1.00 0.00 O ATOM 271 CB LYS A 40 -3.621 2.244 6.183 1.00 0.00 C ATOM 272 CG LYS A 40 -3.507 2.957 7.539 1.00 0.00 C ATOM 273 CD LYS A 40 -2.194 3.731 7.643 1.00 0.00 C ATOM 274 CE LYS A 40 -2.128 4.518 8.955 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.907 5.338 9.011 1.00 0.00 N ATOM 0 H LYS A 40 -4.090 0.141 7.154 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.760 2.370 6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.862 1.466 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.441 2.949 5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.347 3.640 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.566 2.225 8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.354 3.039 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.102 4.414 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.006 5.158 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.148 3.829 9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.891 5.876 9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.072 4.720 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.895 5.998 8.207 1.00 0.00 H new ATOM 276 N MET A 41 -4.808 0.207 4.070 1.00 0.00 N ATOM 277 CA MET A 41 -5.109 -0.224 2.721 1.00 0.00 C ATOM 278 C MET A 41 -6.564 -0.687 2.669 1.00 0.00 C ATOM 279 O MET A 41 -7.246 -0.409 1.691 1.00 0.00 O ATOM 280 CB MET A 41 -4.108 -1.296 2.298 1.00 0.00 C ATOM 281 CG MET A 41 -4.009 -1.432 0.777 1.00 0.00 C ATOM 282 SD MET A 41 -2.766 -2.605 0.161 1.00 0.00 S ATOM 283 CE MET A 41 -2.404 -3.582 1.641 1.00 0.00 C ATOM 0 H MET A 41 -4.121 -0.373 4.552 1.00 0.00 H new ATOM 0 HA MET A 41 -5.007 0.592 2.005 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.126 -1.053 2.703 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.402 -2.254 2.728 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.984 -1.733 0.395 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.792 -0.450 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.710 -4.383 1.387 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.956 -2.941 2.400 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.328 -4.011 2.028 1.00 0.00 H new ATOM 284 N LYS A 42 -7.067 -1.363 3.708 1.00 0.00 N ATOM 285 CA LYS A 42 -8.470 -1.757 3.756 1.00 0.00 C ATOM 286 C LYS A 42 -9.290 -0.466 3.799 1.00 0.00 C ATOM 287 O LYS A 42 -10.270 -0.324 3.073 1.00 0.00 O ATOM 288 CB LYS A 42 -8.712 -2.671 4.961 1.00 0.00 C ATOM 289 CG LYS A 42 -10.102 -3.316 4.945 1.00 0.00 C ATOM 290 CD LYS A 42 -10.139 -4.402 6.026 1.00 0.00 C ATOM 291 CE LYS A 42 -11.421 -5.234 5.961 1.00 0.00 C ATOM 292 NZ LYS A 42 -11.368 -6.349 6.923 1.00 0.00 N ATOM 0 H LYS A 42 -6.521 -1.646 4.522 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.770 -2.335 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.953 -3.453 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.594 -2.094 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.871 -2.567 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.310 -3.747 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.276 -5.057 5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.058 -3.938 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.282 -4.602 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.557 -5.624 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.153 -7.005 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.464 -6.853 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.449 -5.977 7.891 1.00 0.00 H new ATOM 293 N GLY A 43 -8.840 0.495 4.611 1.00 0.00 N ATOM 294 CA GLY A 43 -9.441 1.809 4.715 1.00 0.00 C ATOM 295 C GLY A 43 -9.568 2.443 3.326 1.00 0.00 C ATOM 296 O GLY A 43 -10.575 3.084 3.037 1.00 0.00 O ATOM 0 H GLY A 43 -8.033 0.370 5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.424 1.732 5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.834 2.445 5.359 1.00 0.00 H new ATOM 297 N TYR A 44 -8.548 2.303 2.470 1.00 0.00 N ATOM 298 CA TYR A 44 -8.595 2.812 1.102 1.00 0.00 C ATOM 299 C TYR A 44 -9.482 1.907 0.239 1.00 0.00 C ATOM 300 O TYR A 44 -10.162 2.403 -0.652 1.00 0.00 O ATOM 301 CB TYR A 44 -7.189 2.901 0.495 1.00 0.00 C ATOM 302 CG TYR A 44 -6.282 3.976 1.065 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.717 5.314 1.140 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.937 3.675 1.344 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.848 6.311 1.611 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.050 4.690 1.732 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.514 6.000 1.909 1.00 0.00 C ATOM 308 OH TYR A 44 -3.681 6.933 2.440 1.00 0.00 O ATOM 0 H TYR A 44 -7.673 1.836 2.709 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.017 3.817 1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.699 1.936 0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.288 3.069 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.720 5.573 0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.585 2.657 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.208 7.320 1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.007 4.461 1.895 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.628 6.810 3.411 1.00 0.00 H new ATOM 309 N ALA A 45 -9.477 0.591 0.480 1.00 0.00 N ATOM 310 CA ALA A 45 -10.298 -0.368 -0.252 1.00 0.00 C ATOM 311 C ALA A 45 -11.758 0.077 -0.147 1.00 0.00 C ATOM 312 O ALA A 45 -12.452 0.166 -1.157 1.00 0.00 O ATOM 313 CB ALA A 45 -10.103 -1.791 0.278 1.00 0.00 C ATOM 0 H ALA A 45 -8.894 0.161 1.198 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.996 -0.389 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.729 -2.480 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.057 -2.079 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.384 -1.829 1.331 1.00 0.00 H new ATOM 314 N ASP A 46 -12.218 0.357 1.080 1.00 0.00 N ATOM 315 CA ASP A 46 -13.576 0.846 1.299 1.00 0.00 C ATOM 316 C ASP A 46 -13.648 2.340 0.939 1.00 0.00 C ATOM 317 O ASP A 46 -14.689 2.803 0.479 1.00 0.00 O ATOM 318 CB ASP A 46 -14.064 0.527 2.722 1.00 0.00 C ATOM 319 CG ASP A 46 -13.285 1.208 3.839 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.400 2.446 3.938 1.00 0.00 O ATOM 321 OD2 ASP A 46 -12.619 0.477 4.601 1.00 0.00 O ATOM 0 H ASP A 46 -11.667 0.252 1.932 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.267 0.323 0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.112 0.815 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.017 -0.552 2.872 1.00 0.00 H new ATOM 322 N GLY A 47 -12.557 3.092 1.137 1.00 0.00 N ATOM 323 CA GLY A 47 -12.438 4.504 0.785 1.00 0.00 C ATOM 324 C GLY A 47 -12.496 5.468 1.970 1.00 0.00 C ATOM 325 O GLY A 47 -12.323 6.671 1.778 1.00 0.00 O ATOM 0 H GLY A 47 -11.708 2.717 1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.496 4.654 0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.237 4.759 0.088 1.00 0.00 H new ATOM 326 N SER A 48 -12.725 4.974 3.190 1.00 0.00 N ATOM 327 CA SER A 48 -12.825 5.811 4.377 1.00 0.00 C ATOM 328 C SER A 48 -11.458 6.366 4.802 1.00 0.00 C ATOM 329 O SER A 48 -11.408 7.479 5.323 1.00 0.00 O ATOM 330 CB SER A 48 -13.530 5.029 5.504 1.00 0.00 C ATOM 331 OG SER A 48 -13.785 5.859 6.620 1.00 0.00 O ATOM 0 H SER A 48 -12.846 3.979 3.377 1.00 0.00 H new ATOM 0 HA SER A 48 -13.434 6.685 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.468 4.617 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.910 4.186 5.809 1.00 0.00 H new ATOM 0 HG SER A 48 -14.234 5.339 7.319 1.00 0.00 H new ATOM 332 N TYR A 49 -10.345 5.641 4.602 1.00 0.00 N ATOM 333 CA TYR A 49 -9.046 6.182 5.003 1.00 0.00 C ATOM 334 C TYR A 49 -8.570 7.156 3.926 1.00 0.00 C ATOM 335 O TYR A 49 -8.900 6.998 2.752 1.00 0.00 O ATOM 336 CB TYR A 49 -8.026 5.064 5.252 1.00 0.00 C ATOM 337 CG TYR A 49 -6.644 5.534 5.684 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.490 6.329 6.836 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.508 5.177 4.936 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.224 6.833 7.182 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.240 5.676 5.288 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.102 6.533 6.392 1.00 0.00 C ATOM 343 OH TYR A 49 -2.873 6.993 6.768 1.00 0.00 O ATOM 0 H TYR A 49 -10.320 4.713 4.180 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.149 6.716 5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.421 4.397 6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.924 4.477 4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.346 6.552 7.455 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.609 4.517 4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.114 7.454 8.059 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.372 5.399 4.708 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.201 6.700 6.118 1.00 0.00 H new ATOM 372 N LYS A 54 -4.977 10.012 -1.358 1.00 0.00 N ATOM 373 CA LYS A 54 -5.963 8.976 -1.065 1.00 0.00 C ATOM 374 C LYS A 54 -6.673 8.464 -2.321 1.00 0.00 C ATOM 375 O LYS A 54 -7.016 7.289 -2.400 1.00 0.00 O ATOM 376 CB LYS A 54 -7.014 9.495 -0.079 1.00 0.00 C ATOM 377 CG LYS A 54 -8.054 10.516 -0.565 1.00 0.00 C ATOM 378 CD LYS A 54 -9.366 9.910 -1.110 1.00 0.00 C ATOM 379 CE LYS A 54 -10.324 9.331 -0.051 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.053 7.921 0.295 1.00 0.00 N ATOM 0 HA LYS A 54 -5.411 8.145 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.556 8.632 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.484 9.941 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.297 11.184 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.602 11.127 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.896 10.681 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.114 9.119 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.258 9.936 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.347 9.415 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.945 7.446 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.616 7.442 -0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.407 7.881 1.109 1.00 0.00 H new ATOM 381 N ALA A 55 -6.943 9.354 -3.282 1.00 0.00 N ATOM 382 CA ALA A 55 -7.656 9.022 -4.507 1.00 0.00 C ATOM 383 C ALA A 55 -6.882 8.009 -5.344 1.00 0.00 C ATOM 384 O ALA A 55 -7.433 6.976 -5.727 1.00 0.00 O ATOM 385 CB ALA A 55 -7.921 10.303 -5.303 1.00 0.00 C ATOM 0 H ALA A 55 -6.667 10.334 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.608 8.560 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.455 10.057 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.524 10.985 -4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.973 10.780 -5.551 1.00 0.00 H new ATOM 386 N MET A 56 -5.613 8.304 -5.638 1.00 0.00 N ATOM 387 CA MET A 56 -4.778 7.401 -6.418 1.00 0.00 C ATOM 388 C MET A 56 -4.689 6.083 -5.659 1.00 0.00 C ATOM 389 O MET A 56 -4.815 5.015 -6.254 1.00 0.00 O ATOM 390 CB MET A 56 -3.383 7.995 -6.651 1.00 0.00 C ATOM 391 CG MET A 56 -3.362 9.048 -7.770 1.00 0.00 C ATOM 392 SD MET A 56 -4.453 10.485 -7.590 1.00 0.00 S ATOM 393 CE MET A 56 -3.972 11.422 -9.056 1.00 0.00 C ATOM 0 H MET A 56 -5.146 9.162 -5.345 1.00 0.00 H new ATOM 0 HA MET A 56 -5.218 7.242 -7.402 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.027 8.448 -5.726 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.689 7.193 -6.901 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.340 9.413 -7.869 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.615 8.549 -8.706 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.550 12.345 -9.104 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.910 11.661 -9.003 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.165 10.826 -9.948 1.00 0.00 H new ATOM 394 N MET A 57 -4.514 6.170 -4.337 1.00 0.00 N ATOM 395 CA MET A 57 -4.437 4.991 -3.499 1.00 0.00 C ATOM 396 C MET A 57 -5.690 4.134 -3.688 1.00 0.00 C ATOM 397 O MET A 57 -5.598 2.996 -4.136 1.00 0.00 O ATOM 398 CB MET A 57 -4.208 5.431 -2.042 1.00 0.00 C ATOM 399 CG MET A 57 -2.707 5.447 -1.727 1.00 0.00 C ATOM 400 SD MET A 57 -1.856 3.887 -2.077 1.00 0.00 S ATOM 401 CE MET A 57 -2.803 2.698 -1.103 1.00 0.00 C ATOM 0 H MET A 57 -4.424 7.052 -3.832 1.00 0.00 H new ATOM 0 HA MET A 57 -3.594 4.362 -3.784 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.632 6.422 -1.882 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.723 4.751 -1.363 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.235 6.242 -2.304 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.571 5.693 -0.674 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.536 1.685 -1.405 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.578 2.833 -0.045 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.868 2.857 -1.270 1.00 0.00 H new ATOM 402 N THR A 58 -6.864 4.683 -3.385 1.00 0.00 N ATOM 403 CA THR A 58 -8.150 4.025 -3.555 1.00 0.00 C ATOM 404 C THR A 58 -8.232 3.407 -4.956 1.00 0.00 C ATOM 405 O THR A 58 -8.596 2.244 -5.093 1.00 0.00 O ATOM 406 CB THR A 58 -9.274 5.052 -3.320 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.156 5.609 -2.023 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.663 4.420 -3.447 1.00 0.00 C ATOM 0 H THR A 58 -6.945 5.625 -3.004 1.00 0.00 H new ATOM 0 HA THR A 58 -8.264 3.219 -2.830 1.00 0.00 H new ATOM 0 HB THR A 58 -9.168 5.822 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.497 6.334 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.425 5.179 -3.274 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.784 4.006 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.769 3.624 -2.710 1.00 0.00 H new ATOM 409 N ASN A 59 -7.866 4.157 -6.002 1.00 0.00 N ATOM 410 CA ASN A 59 -7.903 3.646 -7.370 1.00 0.00 C ATOM 411 C ASN A 59 -6.965 2.448 -7.551 1.00 0.00 C ATOM 412 O ASN A 59 -7.312 1.512 -8.269 1.00 0.00 O ATOM 413 CB ASN A 59 -7.551 4.748 -8.379 1.00 0.00 C ATOM 414 CG ASN A 59 -8.776 5.578 -8.749 1.00 0.00 C ATOM 415 OD1 ASN A 59 -9.432 5.309 -9.749 1.00 0.00 O ATOM 416 ND2 ASN A 59 -9.107 6.586 -7.950 1.00 0.00 N ATOM 0 H ASN A 59 -7.541 5.121 -5.923 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.922 3.310 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.784 5.397 -7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.129 4.299 -9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.925 7.158 -8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.544 6.788 -7.124 1.00 0.00 H new ATOM 417 N ALA A 60 -5.784 2.465 -6.928 1.00 0.00 N ATOM 418 CA ALA A 60 -4.814 1.381 -7.036 1.00 0.00 C ATOM 419 C ALA A 60 -5.255 0.147 -6.241 1.00 0.00 C ATOM 420 O ALA A 60 -4.983 -0.984 -6.645 1.00 0.00 O ATOM 421 CB ALA A 60 -3.458 1.868 -6.507 1.00 0.00 C ATOM 0 H ALA A 60 -5.476 3.235 -6.334 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.737 1.095 -8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.727 1.063 -6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.122 2.721 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.560 2.166 -5.464 1.00 0.00 H new ATOM 422 N VAL A 61 -5.926 0.383 -5.113 1.00 0.00 N ATOM 423 CA VAL A 61 -6.370 -0.600 -4.134 1.00 0.00 C ATOM 424 C VAL A 61 -7.709 -1.280 -4.426 1.00 0.00 C ATOM 425 O VAL A 61 -7.814 -2.488 -4.231 1.00 0.00 O ATOM 426 CB VAL A 61 -6.395 0.138 -2.785 1.00 0.00 C ATOM 427 CG1 VAL A 61 -7.040 -0.655 -1.658 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.974 0.463 -2.319 1.00 0.00 C ATOM 0 H VAL A 61 -6.190 1.331 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.676 -1.440 -4.151 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.986 1.034 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.019 -0.067 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.073 -0.883 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.491 -1.584 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.015 0.985 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.408 -0.462 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.485 1.098 -3.058 1.00 0.00 H new ATOM 429 N LYS A 62 -8.729 -0.539 -4.860 1.00 0.00 N ATOM 430 CA LYS A 62 -10.086 -1.032 -5.108 1.00 0.00 C ATOM 431 C LYS A 62 -10.175 -2.385 -5.829 1.00 0.00 C ATOM 432 O LYS A 62 -11.131 -3.123 -5.611 1.00 0.00 O ATOM 433 CB LYS A 62 -10.876 0.045 -5.869 1.00 0.00 C ATOM 434 CG LYS A 62 -10.257 0.436 -7.220 1.00 0.00 C ATOM 435 CD LYS A 62 -10.954 -0.241 -8.408 1.00 0.00 C ATOM 436 CE LYS A 62 -10.148 -0.073 -9.703 1.00 0.00 C ATOM 437 NZ LYS A 62 -9.755 1.326 -9.947 1.00 0.00 N ATOM 0 H LYS A 62 -8.630 0.457 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.523 -1.224 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.891 -0.314 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.952 0.935 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.311 1.518 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.201 0.168 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.088 -1.302 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.948 0.186 -8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.254 -0.695 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.740 -0.433 -10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.574 1.464 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.521 1.960 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.892 1.543 -9.409 1.00 0.00 H new ATOM 438 N LYS A 63 -9.215 -2.715 -6.697 1.00 0.00 N ATOM 439 CA LYS A 63 -9.239 -3.970 -7.437 1.00 0.00 C ATOM 440 C LYS A 63 -8.888 -5.193 -6.574 1.00 0.00 C ATOM 441 O LYS A 63 -9.136 -6.317 -7.006 1.00 0.00 O ATOM 442 CB LYS A 63 -8.311 -3.850 -8.654 1.00 0.00 C ATOM 443 CG LYS A 63 -6.824 -3.764 -8.285 1.00 0.00 C ATOM 444 CD LYS A 63 -5.941 -3.502 -9.516 1.00 0.00 C ATOM 445 CE LYS A 63 -6.213 -2.158 -10.208 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.274 -1.045 -9.245 1.00 0.00 N ATOM 0 H LYS A 63 -8.409 -2.124 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.262 -4.143 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.466 -4.710 -9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.587 -2.964 -9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.676 -2.967 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.514 -4.694 -7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.894 -3.537 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.092 -4.306 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.430 -1.962 -10.940 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.154 -2.216 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.954 -0.169 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.253 -0.925 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.658 -1.254 -8.433 1.00 0.00 H new ATOM 447 N TYR A 64 -8.277 -5.017 -5.395 1.00 0.00 N ATOM 448 CA TYR A 64 -7.909 -6.111 -4.529 1.00 0.00 C ATOM 449 C TYR A 64 -9.116 -6.596 -3.731 1.00 0.00 C ATOM 450 O TYR A 64 -10.273 -6.246 -3.952 1.00 0.00 O ATOM 451 CB TYR A 64 -6.756 -5.628 -3.624 1.00 0.00 C ATOM 452 CG TYR A 64 -5.514 -5.184 -4.372 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.088 -5.860 -5.533 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.875 -3.992 -3.996 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.224 -5.220 -6.435 1.00 0.00 C ATOM 456 CE2 TYR A 64 -4.006 -3.357 -4.895 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.775 -3.921 -6.159 1.00 0.00 C ATOM 458 OH TYR A 64 -3.359 -3.131 -7.185 1.00 0.00 O ATOM 0 H TYR A 64 -8.029 -4.099 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.569 -6.969 -5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.113 -4.799 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.485 -6.433 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.425 -6.867 -5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.052 -3.566 -3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.907 -5.725 -7.336 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.516 -2.436 -4.615 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.846 -2.281 -7.162 1.00 0.00 H new ATOM 459 N SER A 65 -8.797 -7.475 -2.800 1.00 0.00 N ATOM 460 CA SER A 65 -9.664 -8.150 -1.854 1.00 0.00 C ATOM 461 C SER A 65 -8.801 -8.557 -0.664 1.00 0.00 C ATOM 462 O SER A 65 -7.577 -8.558 -0.777 1.00 0.00 O ATOM 463 CB SER A 65 -10.324 -9.338 -2.552 1.00 0.00 C ATOM 464 OG SER A 65 -11.301 -8.862 -3.459 1.00 0.00 O ATOM 0 H SER A 65 -7.826 -7.762 -2.676 1.00 0.00 H new ATOM 0 HA SER A 65 -10.470 -7.512 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.574 -9.926 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.784 -9.997 -1.816 1.00 0.00 H new ATOM 0 HG SER A 65 -11.125 -7.920 -3.665 1.00 0.00 H new ATOM 465 N ASP A 66 -9.437 -8.889 0.463 1.00 0.00 N ATOM 466 CA ASP A 66 -8.798 -9.253 1.726 1.00 0.00 C ATOM 467 C ASP A 66 -7.479 -10.019 1.578 1.00 0.00 C ATOM 468 O ASP A 66 -6.482 -9.632 2.179 1.00 0.00 O ATOM 469 CB ASP A 66 -9.780 -10.081 2.562 1.00 0.00 C ATOM 470 CG ASP A 66 -9.131 -10.514 3.872 1.00 0.00 C ATOM 471 OD1 ASP A 66 -8.879 -9.612 4.699 1.00 0.00 O ATOM 472 OD2 ASP A 66 -8.880 -11.730 4.010 1.00 0.00 O ATOM 0 H ASP A 66 -10.455 -8.912 0.520 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.540 -8.315 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.675 -9.495 2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.097 -10.959 1.999 1.00 0.00 H new ATOM 473 N GLU A 67 -7.465 -11.090 0.782 1.00 0.00 N ATOM 474 CA GLU A 67 -6.264 -11.905 0.612 1.00 0.00 C ATOM 475 C GLU A 67 -5.140 -11.066 -0.011 1.00 0.00 C ATOM 476 O GLU A 67 -4.018 -11.038 0.489 1.00 0.00 O ATOM 477 CB GLU A 67 -6.605 -13.147 -0.229 1.00 0.00 C ATOM 478 CG GLU A 67 -5.669 -14.334 0.055 1.00 0.00 C ATOM 479 CD GLU A 67 -4.212 -14.072 -0.315 1.00 0.00 C ATOM 480 OE1 GLU A 67 -3.969 -13.801 -1.513 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.362 -14.155 0.596 1.00 0.00 O ATOM 0 H GLU A 67 -8.271 -11.412 0.246 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.903 -12.249 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.634 -13.445 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.549 -12.891 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.726 -14.584 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.023 -15.204 -0.497 1.00 0.00 H new ATOM 482 N GLU A 68 -5.441 -10.386 -1.118 1.00 0.00 N ATOM 483 CA GLU A 68 -4.493 -9.531 -1.816 1.00 0.00 C ATOM 484 C GLU A 68 -3.998 -8.451 -0.851 1.00 0.00 C ATOM 485 O GLU A 68 -2.798 -8.204 -0.781 1.00 0.00 O ATOM 486 CB GLU A 68 -5.162 -8.892 -3.040 1.00 0.00 C ATOM 487 CG GLU A 68 -5.415 -9.819 -4.237 1.00 0.00 C ATOM 488 CD GLU A 68 -6.141 -11.109 -3.876 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.211 -11.004 -3.237 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.586 -12.178 -4.219 1.00 0.00 O ATOM 0 H GLU A 68 -6.361 -10.417 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.646 -10.123 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.117 -8.469 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.540 -8.062 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.000 -9.281 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.460 -10.068 -4.699 1.00 0.00 H new ATOM 491 N LEU A 69 -4.911 -7.812 -0.110 1.00 0.00 N ATOM 492 CA LEU A 69 -4.549 -6.778 0.851 1.00 0.00 C ATOM 493 C LEU A 69 -3.590 -7.336 1.898 1.00 0.00 C ATOM 494 O LEU A 69 -2.540 -6.752 2.152 1.00 0.00 O ATOM 495 CB LEU A 69 -5.795 -6.220 1.551 1.00 0.00 C ATOM 496 CG LEU A 69 -6.772 -5.484 0.625 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.840 -4.816 1.496 1.00 0.00 C ATOM 498 CD2 LEU A 69 -6.052 -4.421 -0.204 1.00 0.00 C ATOM 0 H LEU A 69 -5.912 -7.999 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.060 -5.972 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.323 -7.042 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.478 -5.537 2.339 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.222 -6.198 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.548 -4.285 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.368 -5.576 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.365 -4.111 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.770 -3.916 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.588 -3.693 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.284 -4.895 -0.815 1.00 0.00 H new ATOM 499 N LYS A 70 -3.955 -8.458 2.515 1.00 0.00 N ATOM 500 CA LYS A 70 -3.148 -9.107 3.531 1.00 0.00 C ATOM 501 C LYS A 70 -1.768 -9.444 2.966 1.00 0.00 C ATOM 502 O LYS A 70 -0.758 -9.197 3.621 1.00 0.00 O ATOM 503 CB LYS A 70 -3.889 -10.360 4.017 1.00 0.00 C ATOM 504 CG LYS A 70 -3.171 -11.055 5.180 1.00 0.00 C ATOM 505 CD LYS A 70 -3.984 -12.279 5.618 1.00 0.00 C ATOM 506 CE LYS A 70 -3.285 -13.005 6.771 1.00 0.00 C ATOM 507 NZ LYS A 70 -4.048 -14.192 7.194 1.00 0.00 N ATOM 0 H LYS A 70 -4.830 -8.943 2.317 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.994 -8.442 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.896 -10.084 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.993 -11.060 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.170 -11.359 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.054 -10.364 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.981 -11.968 5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.110 -12.959 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.284 -13.304 6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.168 -12.325 7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.551 -14.664 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.995 -13.901 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.138 -14.850 6.394 1.00 0.00 H new ATOM 508 N ALA A 71 -1.715 -9.985 1.746 1.00 0.00 N ATOM 509 CA ALA A 71 -0.462 -10.358 1.122 1.00 0.00 C ATOM 510 C ALA A 71 0.376 -9.109 0.874 1.00 0.00 C ATOM 511 O ALA A 71 1.563 -9.086 1.195 1.00 0.00 O ATOM 512 CB ALA A 71 -0.747 -11.107 -0.178 1.00 0.00 C ATOM 0 H ALA A 71 -2.538 -10.172 1.174 1.00 0.00 H new ATOM 0 HA ALA A 71 0.103 -11.019 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.194 -11.389 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.327 -12.004 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.312 -10.464 -0.852 1.00 0.00 H new ATOM 513 N LEU A 72 -0.232 -8.059 0.316 1.00 0.00 N ATOM 514 CA LEU A 72 0.484 -6.831 0.047 1.00 0.00 C ATOM 515 C LEU A 72 1.032 -6.246 1.338 1.00 0.00 C ATOM 516 O LEU A 72 2.208 -5.901 1.393 1.00 0.00 O ATOM 517 CB LEU A 72 -0.483 -5.847 -0.596 1.00 0.00 C ATOM 518 CG LEU A 72 -0.454 -6.052 -2.102 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.456 -5.104 -2.711 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.918 -5.663 -2.631 1.00 0.00 C ATOM 0 H LEU A 72 -1.216 -8.044 0.046 1.00 0.00 H new ATOM 0 HA LEU A 72 1.322 -7.030 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.491 -6.002 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.202 -4.824 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.677 -7.091 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.460 -5.226 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.449 -5.322 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.184 -4.078 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.946 -5.808 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.114 -4.616 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.679 -6.286 -2.162 1.00 0.00 H new ATOM 521 N ALA A 73 0.187 -6.106 2.364 1.00 0.00 N ATOM 522 CA ALA A 73 0.618 -5.553 3.636 1.00 0.00 C ATOM 523 C ALA A 73 1.720 -6.423 4.219 1.00 0.00 C ATOM 524 O ALA A 73 2.664 -5.887 4.783 1.00 0.00 O ATOM 525 CB ALA A 73 -0.544 -5.481 4.631 1.00 0.00 C ATOM 0 H ALA A 73 -0.798 -6.370 2.331 1.00 0.00 H new ATOM 0 HA ALA A 73 0.987 -4.542 3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.191 -5.063 5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.332 -4.846 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.938 -6.483 4.803 1.00 0.00 H new ATOM 526 N ASP A 74 1.602 -7.751 4.121 1.00 0.00 N ATOM 527 CA ASP A 74 2.644 -8.638 4.612 1.00 0.00 C ATOM 528 C ASP A 74 3.947 -8.278 3.899 1.00 0.00 C ATOM 529 O ASP A 74 4.947 -8.010 4.558 1.00 0.00 O ATOM 530 CB ASP A 74 2.267 -10.106 4.383 1.00 0.00 C ATOM 531 CG ASP A 74 3.423 -11.034 4.740 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.878 -10.958 5.901 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.840 -11.796 3.841 1.00 0.00 O ATOM 0 H ASP A 74 0.799 -8.226 3.708 1.00 0.00 H new ATOM 0 HA ASP A 74 2.768 -8.512 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.395 -10.359 4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.987 -10.254 3.340 1.00 0.00 H new ATOM 534 N TYR A 75 3.926 -8.219 2.560 1.00 0.00 N ATOM 535 CA TYR A 75 5.110 -7.866 1.789 1.00 0.00 C ATOM 536 C TYR A 75 5.643 -6.511 2.267 1.00 0.00 C ATOM 537 O TYR A 75 6.782 -6.428 2.724 1.00 0.00 O ATOM 538 CB TYR A 75 4.822 -7.882 0.288 1.00 0.00 C ATOM 539 CG TYR A 75 6.066 -7.552 -0.509 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.133 -8.468 -0.512 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.246 -6.269 -1.058 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.358 -8.125 -1.105 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.478 -5.926 -1.645 1.00 0.00 C ATOM 544 CZ TYR A 75 8.532 -6.853 -1.668 1.00 0.00 C ATOM 545 OH TYR A 75 9.723 -6.536 -2.244 1.00 0.00 O ATOM 0 H TYR A 75 3.099 -8.412 1.995 1.00 0.00 H new ATOM 0 HA TYR A 75 5.885 -8.614 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.449 -8.864 -0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.037 -7.162 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.009 -9.439 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.441 -5.550 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.166 -8.841 -1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.613 -4.946 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 75 9.807 -5.562 -2.306 1.00 0.00 H new ATOM 546 N MET A 76 4.831 -5.451 2.184 1.00 0.00 N ATOM 547 CA MET A 76 5.218 -4.128 2.667 1.00 0.00 C ATOM 548 C MET A 76 5.790 -4.169 4.098 1.00 0.00 C ATOM 549 O MET A 76 6.761 -3.485 4.406 1.00 0.00 O ATOM 550 CB MET A 76 4.002 -3.203 2.620 1.00 0.00 C ATOM 551 CG MET A 76 3.761 -2.655 1.217 1.00 0.00 C ATOM 552 SD MET A 76 2.363 -1.512 1.101 1.00 0.00 S ATOM 553 CE MET A 76 0.982 -2.654 1.229 1.00 0.00 C ATOM 0 H MET A 76 3.894 -5.489 1.782 1.00 0.00 H new ATOM 0 HA MET A 76 6.009 -3.753 2.017 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.119 -3.747 2.955 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.148 -2.375 3.314 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.663 -2.145 0.878 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.592 -3.490 0.537 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.168 -2.314 0.589 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.301 -3.647 0.914 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.638 -2.695 2.262 1.00 0.00 H new ATOM 554 N SER A 77 5.213 -4.978 4.983 1.00 0.00 N ATOM 555 CA SER A 77 5.665 -5.075 6.366 1.00 0.00 C ATOM 556 C SER A 77 7.009 -5.789 6.499 1.00 0.00 C ATOM 557 O SER A 77 7.581 -5.751 7.587 1.00 0.00 O ATOM 558 CB SER A 77 4.615 -5.792 7.212 1.00 0.00 C ATOM 559 OG SER A 77 4.879 -5.599 8.593 1.00 0.00 O ATOM 0 H SER A 77 4.422 -5.582 4.762 1.00 0.00 H new ATOM 0 HA SER A 77 5.803 -4.055 6.726 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.622 -5.414 6.968 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.617 -6.857 6.980 1.00 0.00 H new ATOM 0 HG SER A 77 5.835 -5.424 8.722 1.00 0.00 H new ATOM 560 N LYS A 78 7.467 -6.496 5.461 1.00 0.00 N ATOM 561 CA LYS A 78 8.758 -7.171 5.465 1.00 0.00 C ATOM 562 C LYS A 78 9.825 -6.256 4.844 1.00 0.00 C ATOM 563 O LYS A 78 10.970 -6.683 4.709 1.00 0.00 O ATOM 564 CB LYS A 78 8.649 -8.515 4.727 1.00 0.00 C ATOM 565 CG LYS A 78 7.807 -9.510 5.540 1.00 0.00 C ATOM 566 CD LYS A 78 7.685 -10.889 4.875 1.00 0.00 C ATOM 567 CE LYS A 78 7.014 -10.804 3.500 1.00 0.00 C ATOM 568 NZ LYS A 78 6.626 -12.132 2.996 1.00 0.00 N ATOM 0 H LYS A 78 6.946 -6.613 4.592 1.00 0.00 H new ATOM 0 HA LYS A 78 9.062 -7.384 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.197 -8.363 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.645 -8.925 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.252 -9.629 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.810 -9.096 5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.676 -11.329 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.109 -11.553 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.131 -10.168 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.695 -10.332 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.822 -12.187 1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.171 -12.865 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.611 -12.283 3.162 1.00 0.00 H new ATOM 569 N LEU A 79 9.455 -5.038 4.425 1.00 0.00 N ATOM 570 CA LEU A 79 10.405 -4.080 3.885 1.00 0.00 C ATOM 571 C LEU A 79 11.354 -3.624 5.001 1.00 0.00 C ATOM 572 O LEU A 79 12.533 -3.363 4.679 1.00 0.00 O ATOM 573 CB LEU A 79 9.656 -2.853 3.358 1.00 0.00 C ATOM 574 CG LEU A 79 8.715 -3.069 2.169 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.015 -1.764 1.757 1.00 0.00 C ATOM 576 CD2 LEU A 79 9.480 -3.499 0.945 1.00 0.00 C ATOM 577 OXT LEU A 79 10.864 -3.472 6.142 1.00 0.00 O ATOM 0 H LEU A 79 8.493 -4.699 4.454 1.00 0.00 H new ATOM 0 HA LEU A 79 10.966 -4.550 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.074 -2.434 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.394 -2.102 3.074 1.00 0.00 H new ATOM 0 HG LEU A 79 8.000 -3.824 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.356 -1.956 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.429 -1.385 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.763 -1.024 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.788 -3.645 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.205 -2.730 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.001 -4.434 1.152 1.00 0.00 H new