USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 678 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 29 SER OG : rot -97:sc= -0.431 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -4.78 K(o=-5.2,f=-6.3!) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0.713 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -108:sc= 1.87 (180deg=-0.41) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.118) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 1.32 (180deg=1.18) USER MOD Single : A 33 GLN : amide:sc= -4.63! C(o=-4.6!,f=-7.2!) USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.548 USER MOD Single : A 40 ASN : amide:sc= -1.94 K(o=-1.9,f=-4!) USER MOD Single : A 41 THR OG1 : rot -126:sc= 0.639 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= -0.0811 (180deg=-0.882) USER MOD Single : A 52 LYS NZ :NH3+ -123:sc= -1.94! (180deg=-4.48!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 62 LYS NZ :NH3+ -120:sc= -4.05! (180deg=-7.07!) USER MOD Single : A 64 THR OG1 : rot -143:sc= -1.06 USER MOD Single : A 65 SER OG : rot -140:sc= 1.7 USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= -0.268 (180deg=-1.82!) USER MOD Single : A 70 MET CE :methyl 159:sc= -0.767 (180deg=-1.18) USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= -1.01! (180deg=-2.07!) USER MOD Single : A 73 TYR OH : rot 82:sc= -2.27! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= 1.2 (180deg=-0.442) USER MOD Single : A 82 LYS NZ :NH3+ -128:sc= -0.96! (180deg=-5.03!) USER MOD Single : A 83 LYS NZ :NH3+ 146:sc= -1.1! (180deg=-3.86!) USER MOD Single : A 84 TYR OH : rot 159:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 2.859 3.350 -3.090 1.00 0.00 N ATOM 32 CA ALA A 3 3.833 3.904 -2.070 1.00 0.00 C ATOM 33 C ALA A 3 4.889 2.931 -1.432 1.00 0.00 C ATOM 34 O ALA A 3 6.029 3.303 -1.228 1.00 0.00 O ATOM 35 CB ALA A 3 2.988 4.567 -0.961 1.00 0.00 C ATOM 0 HA ALA A 3 4.472 4.589 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.648 4.983 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.384 5.365 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.335 3.822 -0.507 1.00 0.00 H new ATOM 41 N GLU A 4 4.483 1.714 -1.157 1.00 0.00 N ATOM 42 CA GLU A 4 5.357 0.682 -0.537 1.00 0.00 C ATOM 43 C GLU A 4 6.717 0.617 -1.223 1.00 0.00 C ATOM 44 O GLU A 4 7.779 0.521 -0.640 1.00 0.00 O ATOM 45 CB GLU A 4 4.576 -0.631 -0.640 1.00 0.00 C ATOM 46 CG GLU A 4 3.499 -0.762 0.496 1.00 0.00 C ATOM 47 CD GLU A 4 2.727 -2.100 0.478 1.00 0.00 C ATOM 48 OE1 GLU A 4 2.803 -2.805 -0.517 1.00 0.00 O ATOM 49 OE2 GLU A 4 2.087 -2.329 1.491 1.00 0.00 O ATOM 0 H GLU A 4 3.536 1.386 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 4 5.586 0.912 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.087 -0.687 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.268 -1.471 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.990 -0.651 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.787 0.058 0.404 1.00 0.00 H new ATOM 56 N PHE A 5 6.551 0.717 -2.496 1.00 0.00 N ATOM 57 CA PHE A 5 7.655 0.682 -3.462 1.00 0.00 C ATOM 58 C PHE A 5 8.499 1.948 -3.346 1.00 0.00 C ATOM 59 O PHE A 5 9.688 1.921 -3.110 1.00 0.00 O ATOM 60 CB PHE A 5 6.976 0.557 -4.765 1.00 0.00 C ATOM 61 CG PHE A 5 7.954 1.051 -5.830 1.00 0.00 C ATOM 62 CD1 PHE A 5 9.022 0.275 -6.198 1.00 0.00 C ATOM 63 CD2 PHE A 5 7.794 2.296 -6.388 1.00 0.00 C ATOM 64 CE1 PHE A 5 9.936 0.735 -7.115 1.00 0.00 C ATOM 65 CE2 PHE A 5 8.704 2.764 -7.304 1.00 0.00 C ATOM 66 CZ PHE A 5 9.776 1.983 -7.667 1.00 0.00 C ATOM 0 H PHE A 5 5.634 0.829 -2.929 1.00 0.00 H new ATOM 0 HA PHE A 5 8.357 -0.136 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.692 -0.478 -4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.060 1.147 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.146 -0.706 -5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.950 2.908 -6.106 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.776 0.119 -7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.578 3.745 -7.739 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.493 2.351 -8.386 1.00 0.00 H new ATOM 76 N ASP A 6 7.822 3.029 -3.539 1.00 0.00 N ATOM 77 CA ASP A 6 8.413 4.374 -3.481 1.00 0.00 C ATOM 78 C ASP A 6 9.283 4.518 -2.249 1.00 0.00 C ATOM 79 O ASP A 6 10.447 4.860 -2.302 1.00 0.00 O ATOM 80 CB ASP A 6 7.193 5.288 -3.539 1.00 0.00 C ATOM 81 CG ASP A 6 6.280 4.904 -4.706 1.00 0.00 C ATOM 82 OD1 ASP A 6 5.502 3.998 -4.481 1.00 0.00 O ATOM 83 OD2 ASP A 6 6.389 5.494 -5.756 1.00 0.00 O ATOM 0 H ASP A 6 6.823 3.031 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 6 9.103 4.616 -4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.640 5.223 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 6 7.514 6.324 -3.648 1.00 0.00 H new ATOM 88 N LYS A 7 8.658 4.231 -1.152 1.00 0.00 N ATOM 89 CA LYS A 7 9.393 4.318 0.141 1.00 0.00 C ATOM 90 C LYS A 7 10.517 3.262 0.111 1.00 0.00 C ATOM 91 O LYS A 7 11.604 3.551 0.577 1.00 0.00 O ATOM 92 CB LYS A 7 8.442 4.047 1.330 1.00 0.00 C ATOM 93 CG LYS A 7 9.353 4.124 2.583 1.00 0.00 C ATOM 94 CD LYS A 7 8.560 4.205 3.897 1.00 0.00 C ATOM 95 CE LYS A 7 9.578 3.971 5.016 1.00 0.00 C ATOM 96 NZ LYS A 7 9.063 4.495 6.320 1.00 0.00 N ATOM 0 H LYS A 7 7.682 3.943 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 7 9.807 5.318 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.642 4.786 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.968 3.069 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.001 3.248 2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.001 4.997 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.079 5.177 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.770 3.454 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.789 2.905 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.518 4.463 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.769 4.326 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.884 5.516 6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.178 4.007 6.565 1.00 0.00 H new ATOM 110 N ALA A 8 10.254 2.075 -0.397 1.00 0.00 N ATOM 111 CA ALA A 8 11.342 1.047 -0.446 1.00 0.00 C ATOM 112 C ALA A 8 12.563 1.767 -1.091 1.00 0.00 C ATOM 113 O ALA A 8 13.690 1.569 -0.676 1.00 0.00 O ATOM 114 CB ALA A 8 10.811 -0.157 -1.273 1.00 0.00 C ATOM 0 H ALA A 8 9.352 1.781 -0.771 1.00 0.00 H new ATOM 0 HA ALA A 8 11.643 0.650 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.580 -0.927 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.923 -0.566 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.557 0.176 -2.279 1.00 0.00 H new ATOM 120 N ALA A 9 12.323 2.599 -2.090 1.00 0.00 N ATOM 121 CA ALA A 9 13.480 3.328 -2.729 1.00 0.00 C ATOM 122 C ALA A 9 14.284 4.168 -1.683 1.00 0.00 C ATOM 123 O ALA A 9 15.502 4.093 -1.658 1.00 0.00 O ATOM 124 CB ALA A 9 12.913 4.221 -3.845 1.00 0.00 C ATOM 0 H ALA A 9 11.403 2.801 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 9 14.185 2.608 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.727 4.762 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.402 3.602 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.207 4.933 -3.418 1.00 0.00 H new ATOM 130 N GLU A 10 13.602 4.940 -0.864 1.00 0.00 N ATOM 131 CA GLU A 10 14.297 5.771 0.183 1.00 0.00 C ATOM 132 C GLU A 10 15.203 4.826 0.937 1.00 0.00 C ATOM 133 O GLU A 10 16.408 4.999 0.994 1.00 0.00 O ATOM 134 CB GLU A 10 13.245 6.393 1.157 1.00 0.00 C ATOM 135 CG GLU A 10 12.458 7.599 0.559 1.00 0.00 C ATOM 136 CD GLU A 10 11.295 8.079 1.478 1.00 0.00 C ATOM 137 OE1 GLU A 10 10.889 7.380 2.399 1.00 0.00 O ATOM 138 OE2 GLU A 10 10.855 9.174 1.182 1.00 0.00 O ATOM 0 H GLU A 10 12.586 5.032 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 10 14.859 6.590 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.535 5.619 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.754 6.719 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.146 8.427 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.054 7.317 -0.413 1.00 0.00 H new ATOM 145 N GLU A 11 14.570 3.834 1.479 1.00 0.00 N ATOM 146 CA GLU A 11 15.306 2.817 2.268 1.00 0.00 C ATOM 147 C GLU A 11 16.495 2.218 1.483 1.00 0.00 C ATOM 148 O GLU A 11 17.620 2.294 1.935 1.00 0.00 O ATOM 149 CB GLU A 11 14.244 1.797 2.667 1.00 0.00 C ATOM 150 CG GLU A 11 13.168 2.581 3.531 1.00 0.00 C ATOM 151 CD GLU A 11 12.882 2.084 4.966 1.00 0.00 C ATOM 152 OE1 GLU A 11 13.479 1.112 5.391 1.00 0.00 O ATOM 153 OE2 GLU A 11 12.034 2.741 5.562 1.00 0.00 O ATOM 0 H GLU A 11 13.564 3.681 1.409 1.00 0.00 H new ATOM 0 HA GLU A 11 15.786 3.237 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.783 1.351 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.685 0.983 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.487 3.621 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.227 2.570 2.981 1.00 0.00 H new ATOM 160 N VAL A 12 16.281 1.640 0.325 1.00 0.00 N ATOM 161 CA VAL A 12 17.428 1.052 -0.450 1.00 0.00 C ATOM 162 C VAL A 12 18.538 2.092 -0.637 1.00 0.00 C ATOM 163 O VAL A 12 19.696 1.788 -0.431 1.00 0.00 O ATOM 164 CB VAL A 12 16.860 0.538 -1.807 1.00 0.00 C ATOM 165 CG1 VAL A 12 17.076 1.520 -2.982 1.00 0.00 C ATOM 166 CG2 VAL A 12 17.527 -0.784 -2.181 1.00 0.00 C ATOM 0 H VAL A 12 15.367 1.548 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 12 17.882 0.219 0.088 1.00 0.00 H new ATOM 0 HB VAL A 12 15.787 0.425 -1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 12 16.655 1.095 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.582 2.466 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.143 1.692 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 12 17.126 -1.138 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 12 18.603 -0.635 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 12 17.329 -1.524 -1.405 1.00 0.00 H new ATOM 176 N LYS A 13 18.198 3.299 -1.015 1.00 0.00 N ATOM 177 CA LYS A 13 19.226 4.352 -1.204 1.00 0.00 C ATOM 178 C LYS A 13 20.096 4.560 0.062 1.00 0.00 C ATOM 179 O LYS A 13 21.082 5.259 0.006 1.00 0.00 O ATOM 180 CB LYS A 13 18.477 5.603 -1.572 1.00 0.00 C ATOM 181 CG LYS A 13 17.940 5.500 -3.008 1.00 0.00 C ATOM 182 CD LYS A 13 17.508 6.901 -3.467 1.00 0.00 C ATOM 183 CE LYS A 13 18.756 7.733 -3.761 1.00 0.00 C ATOM 184 NZ LYS A 13 18.329 9.049 -4.295 1.00 0.00 N ATOM 0 H LYS A 13 17.240 3.597 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 13 19.930 4.066 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 13 17.651 5.758 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.134 6.468 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.708 5.104 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.096 4.811 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.884 6.830 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.908 7.382 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 13 19.345 7.866 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 13 19.392 7.220 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.168 9.629 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.782 8.908 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.737 9.534 -3.591 1.00 0.00 H new ATOM 198 N HIS A 14 19.685 3.953 1.142 1.00 0.00 N ATOM 199 CA HIS A 14 20.420 4.054 2.436 1.00 0.00 C ATOM 200 C HIS A 14 21.264 2.777 2.758 1.00 0.00 C ATOM 201 O HIS A 14 21.912 2.704 3.788 1.00 0.00 O ATOM 202 CB HIS A 14 19.353 4.356 3.539 1.00 0.00 C ATOM 203 CG HIS A 14 18.850 5.810 3.433 1.00 0.00 C ATOM 204 ND1 HIS A 14 17.759 6.216 2.862 1.00 0.00 N ATOM 205 CD2 HIS A 14 19.426 6.977 3.909 1.00 0.00 C ATOM 206 CE1 HIS A 14 17.658 7.507 2.967 1.00 0.00 C ATOM 207 NE2 HIS A 14 18.676 8.018 3.610 1.00 0.00 N ATOM 0 H HIS A 14 18.846 3.375 1.182 1.00 0.00 H new ATOM 0 HA HIS A 14 21.157 4.856 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 14 18.514 3.668 3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 14 19.785 4.187 4.525 1.00 0.00 H new ATOM 0 HD1 HIS A 14 17.080 5.611 2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 14 20.360 7.026 4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.836 8.086 2.573 1.00 0.00 H new ATOM 215 N LEU A 15 21.245 1.788 1.894 1.00 0.00 N ATOM 216 CA LEU A 15 22.054 0.545 2.148 1.00 0.00 C ATOM 217 C LEU A 15 23.589 0.881 2.176 1.00 0.00 C ATOM 218 O LEU A 15 24.259 0.987 1.168 1.00 0.00 O ATOM 219 CB LEU A 15 21.704 -0.491 1.020 1.00 0.00 C ATOM 220 CG LEU A 15 20.356 -1.216 1.321 1.00 0.00 C ATOM 221 CD1 LEU A 15 19.948 -2.048 0.108 1.00 0.00 C ATOM 222 CD2 LEU A 15 20.540 -2.245 2.447 1.00 0.00 C ATOM 0 H LEU A 15 20.708 1.785 1.027 1.00 0.00 H new ATOM 0 HA LEU A 15 21.812 0.119 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.639 0.021 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.505 -1.226 0.936 1.00 0.00 H new ATOM 0 HG LEU A 15 19.625 -0.451 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.006 -2.556 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.826 -1.395 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.720 -2.788 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.590 -2.742 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 15 21.281 -2.985 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.880 -1.739 3.351 1.00 0.00 H new ATOM 234 N LYS A 16 24.096 1.035 3.371 1.00 0.00 N ATOM 235 CA LYS A 16 25.548 1.363 3.615 1.00 0.00 C ATOM 236 C LYS A 16 26.610 0.408 3.004 1.00 0.00 C ATOM 237 O LYS A 16 27.797 0.630 3.149 1.00 0.00 O ATOM 238 CB LYS A 16 25.738 1.452 5.139 1.00 0.00 C ATOM 239 CG LYS A 16 25.039 2.743 5.635 1.00 0.00 C ATOM 240 CD LYS A 16 24.870 2.736 7.171 1.00 0.00 C ATOM 241 CE LYS A 16 23.837 1.675 7.567 1.00 0.00 C ATOM 242 NZ LYS A 16 23.570 1.811 9.035 1.00 0.00 N ATOM 0 H LYS A 16 23.547 0.945 4.226 1.00 0.00 H new ATOM 0 HA LYS A 16 25.736 2.299 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 16 25.312 0.576 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 16 26.798 1.472 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.623 3.613 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 16 24.062 2.836 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.825 2.526 7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.549 3.719 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.917 1.809 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.210 0.677 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.870 1.100 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.454 1.665 9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.200 2.763 9.234 1.00 0.00 H new ATOM 256 N THR A 17 26.171 -0.627 2.343 1.00 0.00 N ATOM 257 CA THR A 17 27.140 -1.598 1.727 1.00 0.00 C ATOM 258 C THR A 17 26.910 -1.934 0.238 1.00 0.00 C ATOM 259 O THR A 17 26.472 -3.027 -0.040 1.00 0.00 O ATOM 260 CB THR A 17 27.094 -2.879 2.610 1.00 0.00 C ATOM 261 OG1 THR A 17 27.634 -2.446 3.851 1.00 0.00 O ATOM 262 CG2 THR A 17 28.141 -3.896 2.172 1.00 0.00 C ATOM 0 H THR A 17 25.186 -0.849 2.199 1.00 0.00 H new ATOM 0 HA THR A 17 28.123 -1.126 1.712 1.00 0.00 H new ATOM 0 HB THR A 17 26.089 -3.301 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 17 27.644 -3.195 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 17 28.081 -4.778 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 17 27.958 -4.184 1.137 1.00 0.00 H new ATOM 0 HG23 THR A 17 29.134 -3.455 2.256 1.00 0.00 H new ATOM 270 N LYS A 18 27.186 -1.029 -0.679 1.00 0.00 N ATOM 271 CA LYS A 18 27.006 -1.271 -2.183 1.00 0.00 C ATOM 272 C LYS A 18 26.873 -2.775 -2.638 1.00 0.00 C ATOM 273 O LYS A 18 27.844 -3.358 -3.087 1.00 0.00 O ATOM 274 CB LYS A 18 28.214 -0.613 -2.928 1.00 0.00 C ATOM 275 CG LYS A 18 29.577 -1.114 -2.343 1.00 0.00 C ATOM 276 CD LYS A 18 30.633 -1.083 -3.495 1.00 0.00 C ATOM 277 CE LYS A 18 32.026 -1.494 -2.997 1.00 0.00 C ATOM 278 NZ LYS A 18 32.557 -0.369 -2.158 1.00 0.00 N ATOM 0 H LYS A 18 27.540 -0.099 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 18 26.046 -0.823 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.162 -0.849 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.153 0.472 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.895 -0.478 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 18 29.474 -2.124 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 18 30.319 -1.754 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 18 30.679 -0.080 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 18 31.969 -2.413 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 18 32.691 -1.691 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 33.565 -0.530 -1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 32.445 0.529 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 32.030 -0.325 -1.262 1.00 0.00 H new ATOM 292 N PRO A 19 25.693 -3.349 -2.522 1.00 0.00 N ATOM 293 CA PRO A 19 25.459 -4.763 -2.906 1.00 0.00 C ATOM 294 C PRO A 19 26.014 -5.315 -4.227 1.00 0.00 C ATOM 295 O PRO A 19 26.410 -4.624 -5.144 1.00 0.00 O ATOM 296 CB PRO A 19 23.916 -4.898 -2.775 1.00 0.00 C ATOM 297 CG PRO A 19 23.627 -3.932 -1.606 1.00 0.00 C ATOM 298 CD PRO A 19 24.444 -2.707 -2.011 1.00 0.00 C ATOM 0 HA PRO A 19 26.056 -5.401 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 19 23.399 -4.605 -3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 19 23.610 -5.920 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 19 22.565 -3.705 -1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.948 -4.340 -0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 19 23.944 -2.113 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.637 -2.044 -1.168 1.00 0.00 H new ATOM 306 N ALA A 20 26.012 -6.616 -4.212 1.00 0.00 N ATOM 307 CA ALA A 20 26.503 -7.373 -5.398 1.00 0.00 C ATOM 308 C ALA A 20 25.863 -6.775 -6.688 1.00 0.00 C ATOM 309 O ALA A 20 24.675 -6.477 -6.694 1.00 0.00 O ATOM 310 CB ALA A 20 26.113 -8.843 -5.186 1.00 0.00 C ATOM 0 H ALA A 20 25.692 -7.190 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 20 27.584 -7.301 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 20 26.455 -9.436 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 20 26.578 -9.215 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 20 25.029 -8.923 -5.100 1.00 0.00 H new ATOM 316 N ASP A 21 26.650 -6.588 -7.723 1.00 0.00 N ATOM 317 CA ASP A 21 26.106 -6.032 -8.996 1.00 0.00 C ATOM 318 C ASP A 21 24.801 -6.799 -9.290 1.00 0.00 C ATOM 319 O ASP A 21 23.802 -6.158 -9.493 1.00 0.00 O ATOM 320 CB ASP A 21 27.197 -6.227 -10.078 1.00 0.00 C ATOM 321 CG ASP A 21 28.469 -5.455 -9.713 1.00 0.00 C ATOM 322 OD1 ASP A 21 29.050 -5.809 -8.696 1.00 0.00 O ATOM 323 OD2 ASP A 21 28.766 -4.559 -10.491 1.00 0.00 O ATOM 0 H ASP A 21 27.648 -6.798 -7.737 1.00 0.00 H new ATOM 0 HA ASP A 21 25.868 -4.969 -8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 21 27.427 -7.287 -10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 21 26.823 -5.886 -11.043 1.00 0.00 H new ATOM 328 N GLU A 22 24.808 -8.108 -9.307 1.00 0.00 N ATOM 329 CA GLU A 22 23.561 -8.919 -9.572 1.00 0.00 C ATOM 330 C GLU A 22 22.296 -8.362 -8.861 1.00 0.00 C ATOM 331 O GLU A 22 21.175 -8.490 -9.316 1.00 0.00 O ATOM 332 CB GLU A 22 23.780 -10.378 -9.069 1.00 0.00 C ATOM 333 CG GLU A 22 24.883 -11.195 -9.830 1.00 0.00 C ATOM 334 CD GLU A 22 25.131 -12.589 -9.175 1.00 0.00 C ATOM 335 OE1 GLU A 22 24.160 -13.178 -8.724 1.00 0.00 O ATOM 336 OE2 GLU A 22 26.284 -13.001 -9.165 1.00 0.00 O ATOM 0 H GLU A 22 25.644 -8.670 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 22 23.390 -8.873 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.042 -10.344 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 22 22.835 -10.916 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.582 -11.331 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 22 25.814 -10.628 -9.839 1.00 0.00 H new ATOM 343 N GLU A 23 22.533 -7.733 -7.746 1.00 0.00 N ATOM 344 CA GLU A 23 21.430 -7.149 -6.927 1.00 0.00 C ATOM 345 C GLU A 23 21.155 -5.732 -7.426 1.00 0.00 C ATOM 346 O GLU A 23 20.029 -5.371 -7.710 1.00 0.00 O ATOM 347 CB GLU A 23 21.894 -7.219 -5.437 1.00 0.00 C ATOM 348 CG GLU A 23 22.017 -8.725 -5.071 1.00 0.00 C ATOM 349 CD GLU A 23 21.962 -8.900 -3.569 1.00 0.00 C ATOM 350 OE1 GLU A 23 22.951 -8.821 -2.855 1.00 0.00 O ATOM 351 OE2 GLU A 23 20.827 -9.124 -3.200 1.00 0.00 O ATOM 0 H GLU A 23 23.466 -7.595 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 23 20.488 -7.690 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.849 -6.711 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 23 21.176 -6.721 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.211 -9.289 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.954 -9.126 -5.458 1.00 0.00 H new ATOM 358 N MET A 24 22.210 -4.973 -7.494 1.00 0.00 N ATOM 359 CA MET A 24 22.184 -3.549 -7.979 1.00 0.00 C ATOM 360 C MET A 24 21.396 -3.598 -9.322 1.00 0.00 C ATOM 361 O MET A 24 20.450 -2.887 -9.549 1.00 0.00 O ATOM 362 CB MET A 24 23.679 -3.186 -8.091 1.00 0.00 C ATOM 363 CG MET A 24 24.341 -3.172 -6.694 1.00 0.00 C ATOM 364 SD MET A 24 23.947 -1.770 -5.617 1.00 0.00 S ATOM 365 CE MET A 24 25.467 -0.817 -5.871 1.00 0.00 C ATOM 0 H MET A 24 23.140 -5.291 -7.221 1.00 0.00 H new ATOM 0 HA MET A 24 21.697 -2.797 -7.359 1.00 0.00 H new ATOM 0 HB2 MET A 24 24.187 -3.906 -8.733 1.00 0.00 H new ATOM 0 HB3 MET A 24 23.787 -2.208 -8.561 1.00 0.00 H new ATOM 0 HG2 MET A 24 24.059 -4.088 -6.175 1.00 0.00 H new ATOM 0 HG3 MET A 24 25.422 -3.202 -6.830 1.00 0.00 H new ATOM 0 HE1 MET A 24 25.423 0.101 -5.284 1.00 0.00 H new ATOM 0 HE2 MET A 24 26.325 -1.410 -5.554 1.00 0.00 H new ATOM 0 HE3 MET A 24 25.568 -0.568 -6.927 1.00 0.00 H new ATOM 375 N LEU A 25 21.878 -4.468 -10.163 1.00 0.00 N ATOM 376 CA LEU A 25 21.355 -4.781 -11.508 1.00 0.00 C ATOM 377 C LEU A 25 19.821 -4.849 -11.455 1.00 0.00 C ATOM 378 O LEU A 25 19.108 -4.271 -12.257 1.00 0.00 O ATOM 379 CB LEU A 25 22.020 -6.126 -11.894 1.00 0.00 C ATOM 380 CG LEU A 25 23.415 -6.008 -12.570 1.00 0.00 C ATOM 381 CD1 LEU A 25 23.789 -7.348 -13.194 1.00 0.00 C ATOM 382 CD2 LEU A 25 23.414 -4.998 -13.709 1.00 0.00 C ATOM 0 H LEU A 25 22.701 -5.026 -9.934 1.00 0.00 H new ATOM 0 HA LEU A 25 21.587 -4.026 -12.259 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.121 -6.734 -10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.352 -6.662 -12.568 1.00 0.00 H new ATOM 0 HG LEU A 25 24.115 -5.696 -11.795 1.00 0.00 H new ATOM 0 HD11 LEU A 25 24.767 -7.268 -13.669 1.00 0.00 H new ATOM 0 HD12 LEU A 25 23.824 -8.113 -12.419 1.00 0.00 H new ATOM 0 HD13 LEU A 25 23.044 -7.622 -13.941 1.00 0.00 H new ATOM 0 HD21 LEU A 25 24.409 -4.948 -14.152 1.00 0.00 H new ATOM 0 HD22 LEU A 25 22.694 -5.305 -14.467 1.00 0.00 H new ATOM 0 HD23 LEU A 25 23.139 -4.016 -13.324 1.00 0.00 H new ATOM 394 N PHE A 26 19.392 -5.573 -10.454 1.00 0.00 N ATOM 395 CA PHE A 26 17.941 -5.803 -10.187 1.00 0.00 C ATOM 396 C PHE A 26 17.269 -4.559 -9.567 1.00 0.00 C ATOM 397 O PHE A 26 16.355 -4.025 -10.146 1.00 0.00 O ATOM 398 CB PHE A 26 17.838 -6.997 -9.248 1.00 0.00 C ATOM 399 CG PHE A 26 16.369 -7.352 -9.146 1.00 0.00 C ATOM 400 CD1 PHE A 26 15.564 -6.650 -8.275 1.00 0.00 C ATOM 401 CD2 PHE A 26 15.836 -8.361 -9.921 1.00 0.00 C ATOM 402 CE1 PHE A 26 14.238 -6.954 -8.178 1.00 0.00 C ATOM 403 CE2 PHE A 26 14.503 -8.663 -9.821 1.00 0.00 C ATOM 404 CZ PHE A 26 13.717 -7.953 -8.947 1.00 0.00 C ATOM 0 H PHE A 26 20.012 -6.031 -9.786 1.00 0.00 H new ATOM 0 HA PHE A 26 17.418 -5.999 -11.123 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.413 -7.840 -9.631 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.245 -6.753 -8.267 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.983 -5.860 -7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 26 16.467 -8.911 -10.604 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.604 -6.407 -7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.075 -9.451 -10.423 1.00 0.00 H new ATOM 0 HZ PHE A 26 12.666 -8.190 -8.867 1.00 0.00 H new ATOM 414 N ILE A 27 17.704 -4.108 -8.420 1.00 0.00 N ATOM 415 CA ILE A 27 17.071 -2.889 -7.796 1.00 0.00 C ATOM 416 C ILE A 27 17.046 -1.746 -8.830 1.00 0.00 C ATOM 417 O ILE A 27 16.139 -0.940 -8.870 1.00 0.00 O ATOM 418 CB ILE A 27 17.894 -2.533 -6.532 1.00 0.00 C ATOM 419 CG1 ILE A 27 17.375 -3.321 -5.319 1.00 0.00 C ATOM 420 CG2 ILE A 27 17.859 -1.051 -6.167 1.00 0.00 C ATOM 421 CD1 ILE A 27 15.901 -3.010 -4.935 1.00 0.00 C ATOM 0 H ILE A 27 18.466 -4.523 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 27 16.038 -3.069 -7.499 1.00 0.00 H new ATOM 0 HB ILE A 27 18.923 -2.796 -6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 27 17.466 -4.387 -5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 27 18.014 -3.108 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 27 18.458 -0.882 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 27 18.264 -0.464 -6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.830 -0.747 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 27 15.616 -3.609 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 27 15.804 -1.952 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 27 15.248 -3.251 -5.774 1.00 0.00 H new ATOM 433 N TYR A 28 18.061 -1.698 -9.650 1.00 0.00 N ATOM 434 CA TYR A 28 18.180 -0.666 -10.712 1.00 0.00 C ATOM 435 C TYR A 28 17.058 -0.903 -11.735 1.00 0.00 C ATOM 436 O TYR A 28 16.176 -0.084 -11.862 1.00 0.00 O ATOM 437 CB TYR A 28 19.539 -0.849 -11.341 1.00 0.00 C ATOM 438 CG TYR A 28 19.844 0.247 -12.339 1.00 0.00 C ATOM 439 CD1 TYR A 28 20.463 1.392 -11.904 1.00 0.00 C ATOM 440 CD2 TYR A 28 19.522 0.113 -13.669 1.00 0.00 C ATOM 441 CE1 TYR A 28 20.757 2.390 -12.794 1.00 0.00 C ATOM 442 CE2 TYR A 28 19.818 1.123 -14.554 1.00 0.00 C ATOM 443 CZ TYR A 28 20.437 2.264 -14.128 1.00 0.00 C ATOM 444 OH TYR A 28 20.724 3.250 -15.045 1.00 0.00 O ATOM 0 H TYR A 28 18.839 -2.358 -9.623 1.00 0.00 H new ATOM 0 HA TYR A 28 18.085 0.349 -10.327 1.00 0.00 H new ATOM 0 HB2 TYR A 28 20.302 -0.856 -10.563 1.00 0.00 H new ATOM 0 HB3 TYR A 28 19.582 -1.818 -11.839 1.00 0.00 H new ATOM 0 HD1 TYR A 28 20.718 1.506 -10.861 1.00 0.00 H new ATOM 0 HD2 TYR A 28 19.036 -0.786 -14.019 1.00 0.00 H new ATOM 0 HE1 TYR A 28 21.246 3.288 -12.446 1.00 0.00 H new ATOM 0 HE2 TYR A 28 19.558 1.013 -15.597 1.00 0.00 H new ATOM 0 HH TYR A 28 20.419 2.969 -15.933 1.00 0.00 H new ATOM 454 N SER A 29 17.123 -2.016 -12.420 1.00 0.00 N ATOM 455 CA SER A 29 16.088 -2.378 -13.457 1.00 0.00 C ATOM 456 C SER A 29 14.683 -2.243 -12.876 1.00 0.00 C ATOM 457 O SER A 29 13.847 -1.576 -13.438 1.00 0.00 O ATOM 458 CB SER A 29 16.335 -3.809 -13.903 1.00 0.00 C ATOM 459 OG SER A 29 16.462 -4.478 -12.656 1.00 0.00 O ATOM 0 H SER A 29 17.863 -2.709 -12.307 1.00 0.00 H new ATOM 0 HA SER A 29 16.167 -1.703 -14.309 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.509 -4.202 -14.497 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.236 -3.899 -14.510 1.00 0.00 H new ATOM 0 HG SER A 29 17.411 -4.578 -12.434 1.00 0.00 H new ATOM 465 N HIS A 30 14.487 -2.880 -11.759 1.00 0.00 N ATOM 466 CA HIS A 30 13.174 -2.852 -11.055 1.00 0.00 C ATOM 467 C HIS A 30 12.825 -1.436 -10.620 1.00 0.00 C ATOM 468 O HIS A 30 11.702 -1.058 -10.840 1.00 0.00 O ATOM 469 CB HIS A 30 13.263 -3.829 -9.878 1.00 0.00 C ATOM 470 CG HIS A 30 12.907 -5.158 -10.522 1.00 0.00 C ATOM 471 ND1 HIS A 30 11.794 -5.776 -10.335 1.00 0.00 N ATOM 472 CD2 HIS A 30 13.606 -5.944 -11.417 1.00 0.00 C ATOM 473 CE1 HIS A 30 11.780 -6.864 -11.051 1.00 0.00 C ATOM 474 NE2 HIS A 30 12.888 -7.002 -11.735 1.00 0.00 N ATOM 0 H HIS A 30 15.202 -3.436 -11.290 1.00 0.00 H new ATOM 0 HA HIS A 30 12.366 -3.164 -11.717 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.261 -3.846 -9.440 1.00 0.00 H new ATOM 0 HB3 HIS A 30 12.569 -3.566 -9.080 1.00 0.00 H new ATOM 0 HD1 HIS A 30 11.041 -5.463 -9.722 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.592 -5.725 -11.799 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.958 -7.564 -11.077 1.00 0.00 H new ATOM 482 N TYR A 31 13.700 -0.678 -10.024 1.00 0.00 N ATOM 483 CA TYR A 31 13.351 0.725 -9.626 1.00 0.00 C ATOM 484 C TYR A 31 13.049 1.537 -10.893 1.00 0.00 C ATOM 485 O TYR A 31 12.021 2.185 -10.983 1.00 0.00 O ATOM 486 CB TYR A 31 14.522 1.341 -8.922 1.00 0.00 C ATOM 487 CG TYR A 31 14.208 2.744 -8.423 1.00 0.00 C ATOM 488 CD1 TYR A 31 13.207 2.982 -7.506 1.00 0.00 C ATOM 489 CD2 TYR A 31 14.953 3.794 -8.890 1.00 0.00 C ATOM 490 CE1 TYR A 31 12.973 4.270 -7.070 1.00 0.00 C ATOM 491 CE2 TYR A 31 14.716 5.071 -8.452 1.00 0.00 C ATOM 492 CZ TYR A 31 13.724 5.314 -7.537 1.00 0.00 C ATOM 493 OH TYR A 31 13.489 6.588 -7.071 1.00 0.00 O ATOM 0 H TYR A 31 14.650 -0.966 -9.791 1.00 0.00 H new ATOM 0 HA TYR A 31 12.483 0.720 -8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.812 0.712 -8.080 1.00 0.00 H new ATOM 0 HB3 TYR A 31 15.375 1.379 -9.600 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.609 2.165 -7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 31 15.736 3.614 -9.612 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.188 4.456 -6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 31 15.313 5.889 -8.829 1.00 0.00 H new ATOM 0 HH TYR A 31 14.109 7.213 -7.502 1.00 0.00 H new ATOM 503 N LYS A 32 13.952 1.524 -11.855 1.00 0.00 N ATOM 504 CA LYS A 32 13.681 2.279 -13.084 1.00 0.00 C ATOM 505 C LYS A 32 12.305 1.792 -13.599 1.00 0.00 C ATOM 506 O LYS A 32 11.403 2.576 -13.755 1.00 0.00 O ATOM 507 CB LYS A 32 14.816 1.978 -14.010 1.00 0.00 C ATOM 508 CG LYS A 32 15.567 3.298 -14.199 1.00 0.00 C ATOM 509 CD LYS A 32 16.275 3.911 -12.967 1.00 0.00 C ATOM 510 CE LYS A 32 17.475 3.082 -12.675 1.00 0.00 C ATOM 511 NZ LYS A 32 18.434 3.898 -11.872 1.00 0.00 N ATOM 0 H LYS A 32 14.842 1.027 -11.825 1.00 0.00 H new ATOM 0 HA LYS A 32 13.624 3.361 -12.964 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.470 1.214 -13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 32 14.451 1.597 -14.964 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.317 3.148 -14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.859 4.034 -14.578 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.563 4.943 -13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.603 3.927 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.190 2.184 -12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.943 2.753 -13.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.348 3.406 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.566 4.825 -12.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.056 4.033 -10.912 1.00 0.00 H new ATOM 525 N GLN A 33 12.143 0.524 -13.869 1.00 0.00 N ATOM 526 CA GLN A 33 10.833 -0.004 -14.350 1.00 0.00 C ATOM 527 C GLN A 33 9.677 0.544 -13.485 1.00 0.00 C ATOM 528 O GLN A 33 8.860 1.298 -13.975 1.00 0.00 O ATOM 529 CB GLN A 33 10.886 -1.529 -14.267 1.00 0.00 C ATOM 530 CG GLN A 33 10.391 -2.120 -15.551 1.00 0.00 C ATOM 531 CD GLN A 33 8.973 -1.691 -15.899 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.165 -1.350 -15.060 1.00 0.00 O ATOM 533 NE2 GLN A 33 8.629 -1.711 -17.145 1.00 0.00 N ATOM 0 H GLN A 33 12.875 -0.180 -13.775 1.00 0.00 H new ATOM 0 HA GLN A 33 10.653 0.313 -15.377 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.907 -1.857 -14.074 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.276 -1.879 -13.435 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.061 -1.829 -16.360 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.428 -3.207 -15.482 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.303 -1.996 -17.856 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.684 -1.441 -17.418 1.00 0.00 H new ATOM 542 N ALA A 34 9.651 0.171 -12.232 1.00 0.00 N ATOM 543 CA ALA A 34 8.591 0.625 -11.288 1.00 0.00 C ATOM 544 C ALA A 34 8.277 2.154 -11.331 1.00 0.00 C ATOM 545 O ALA A 34 7.195 2.558 -10.952 1.00 0.00 O ATOM 546 CB ALA A 34 9.081 0.150 -9.932 1.00 0.00 C ATOM 0 H ALA A 34 10.344 -0.449 -11.813 1.00 0.00 H new ATOM 0 HA ALA A 34 7.622 0.204 -11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.363 0.438 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.185 -0.935 -9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.047 0.605 -9.714 1.00 0.00 H new ATOM 552 N THR A 35 9.203 2.959 -11.800 1.00 0.00 N ATOM 553 CA THR A 35 8.998 4.470 -11.874 1.00 0.00 C ATOM 554 C THR A 35 8.853 5.003 -13.312 1.00 0.00 C ATOM 555 O THR A 35 7.929 5.728 -13.630 1.00 0.00 O ATOM 556 CB THR A 35 10.191 5.192 -11.221 1.00 0.00 C ATOM 557 OG1 THR A 35 11.295 4.740 -11.983 1.00 0.00 O ATOM 558 CG2 THR A 35 10.493 4.663 -9.837 1.00 0.00 C ATOM 0 H THR A 35 10.110 2.642 -12.143 1.00 0.00 H new ATOM 0 HA THR A 35 8.065 4.670 -11.346 1.00 0.00 H new ATOM 0 HB THR A 35 9.998 6.264 -11.177 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.604 3.879 -11.632 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.342 5.203 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.622 4.802 -9.196 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.733 3.601 -9.898 1.00 0.00 H new ATOM 566 N VAL A 36 9.779 4.614 -14.131 1.00 0.00 N ATOM 567 CA VAL A 36 9.852 4.997 -15.570 1.00 0.00 C ATOM 568 C VAL A 36 9.035 3.962 -16.387 1.00 0.00 C ATOM 569 O VAL A 36 8.177 4.316 -17.173 1.00 0.00 O ATOM 570 CB VAL A 36 11.377 5.018 -16.008 1.00 0.00 C ATOM 571 CG1 VAL A 36 11.434 5.357 -17.502 1.00 0.00 C ATOM 572 CG2 VAL A 36 12.143 6.122 -15.250 1.00 0.00 C ATOM 0 H VAL A 36 10.543 4.003 -13.842 1.00 0.00 H new ATOM 0 HA VAL A 36 9.433 5.988 -15.747 1.00 0.00 H new ATOM 0 HB VAL A 36 11.826 4.049 -15.791 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.473 5.378 -17.831 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.890 4.601 -18.068 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.980 6.333 -17.671 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.187 6.121 -15.563 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.698 7.092 -15.472 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.086 5.934 -14.178 1.00 0.00 H new ATOM 582 N GLY A 37 9.294 2.698 -16.186 1.00 0.00 N ATOM 583 CA GLY A 37 8.574 1.576 -16.917 1.00 0.00 C ATOM 584 C GLY A 37 9.474 1.115 -18.050 1.00 0.00 C ATOM 585 O GLY A 37 10.412 0.370 -17.826 1.00 0.00 O ATOM 0 H GLY A 37 9.998 2.371 -15.524 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.361 0.751 -16.237 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.617 1.924 -17.306 1.00 0.00 H new ATOM 589 N ASP A 38 9.113 1.594 -19.213 1.00 0.00 N ATOM 590 CA ASP A 38 9.885 1.276 -20.446 1.00 0.00 C ATOM 591 C ASP A 38 11.264 1.918 -20.202 1.00 0.00 C ATOM 592 O ASP A 38 11.508 2.442 -19.134 1.00 0.00 O ATOM 593 CB ASP A 38 9.238 1.946 -21.684 1.00 0.00 C ATOM 594 CG ASP A 38 7.830 1.498 -22.045 1.00 0.00 C ATOM 595 OD1 ASP A 38 7.189 0.870 -21.226 1.00 0.00 O ATOM 596 OD2 ASP A 38 7.500 1.834 -23.174 1.00 0.00 O ATOM 0 H ASP A 38 8.305 2.199 -19.360 1.00 0.00 H new ATOM 0 HA ASP A 38 9.926 0.203 -20.635 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.220 3.023 -21.518 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.883 1.767 -22.544 1.00 0.00 H new ATOM 601 N ILE A 39 12.134 1.892 -21.169 1.00 0.00 N ATOM 602 CA ILE A 39 13.484 2.521 -20.943 1.00 0.00 C ATOM 603 C ILE A 39 13.622 3.819 -21.805 1.00 0.00 C ATOM 604 O ILE A 39 13.219 3.901 -22.952 1.00 0.00 O ATOM 605 CB ILE A 39 14.535 1.380 -21.259 1.00 0.00 C ATOM 606 CG1 ILE A 39 15.979 1.841 -20.907 1.00 0.00 C ATOM 607 CG2 ILE A 39 14.480 0.906 -22.727 1.00 0.00 C ATOM 608 CD1 ILE A 39 16.906 0.591 -20.802 1.00 0.00 C ATOM 0 H ILE A 39 11.986 1.476 -22.088 1.00 0.00 H new ATOM 0 HA ILE A 39 13.647 2.870 -19.923 1.00 0.00 H new ATOM 0 HB ILE A 39 14.262 0.532 -20.631 1.00 0.00 H new ATOM 0 HG12 ILE A 39 16.352 2.522 -21.672 1.00 0.00 H new ATOM 0 HG13 ILE A 39 15.979 2.389 -19.965 1.00 0.00 H new ATOM 0 HG21 ILE A 39 15.222 0.124 -22.885 1.00 0.00 H new ATOM 0 HG22 ILE A 39 13.487 0.513 -22.946 1.00 0.00 H new ATOM 0 HG23 ILE A 39 14.692 1.746 -23.389 1.00 0.00 H new ATOM 0 HD11 ILE A 39 17.919 0.909 -20.556 1.00 0.00 H new ATOM 0 HD12 ILE A 39 16.534 -0.073 -20.022 1.00 0.00 H new ATOM 0 HD13 ILE A 39 16.913 0.062 -21.755 1.00 0.00 H new ATOM 620 N ASN A 40 14.213 4.805 -21.172 1.00 0.00 N ATOM 621 CA ASN A 40 14.451 6.170 -21.791 1.00 0.00 C ATOM 622 C ASN A 40 15.894 6.736 -21.634 1.00 0.00 C ATOM 623 O ASN A 40 16.098 7.917 -21.406 1.00 0.00 O ATOM 624 CB ASN A 40 13.423 7.163 -21.163 1.00 0.00 C ATOM 625 CG ASN A 40 13.523 7.160 -19.643 1.00 0.00 C ATOM 626 OD1 ASN A 40 14.472 6.705 -19.046 1.00 0.00 O ATOM 627 ND2 ASN A 40 12.569 7.669 -18.939 1.00 0.00 N ATOM 0 H ASN A 40 14.556 4.725 -20.215 1.00 0.00 H new ATOM 0 HA ASN A 40 14.320 6.052 -22.867 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.605 8.169 -21.541 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.413 6.887 -21.466 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.634 7.676 -17.921 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.750 8.064 -19.400 1.00 0.00 H new ATOM 634 N THR A 41 16.847 5.853 -21.777 1.00 0.00 N ATOM 635 CA THR A 41 18.307 6.251 -21.651 1.00 0.00 C ATOM 636 C THR A 41 19.158 5.538 -22.738 1.00 0.00 C ATOM 637 O THR A 41 18.606 4.876 -23.598 1.00 0.00 O ATOM 638 CB THR A 41 18.886 5.866 -20.232 1.00 0.00 C ATOM 639 OG1 THR A 41 19.481 4.587 -20.395 1.00 0.00 O ATOM 640 CG2 THR A 41 17.817 5.538 -19.185 1.00 0.00 C ATOM 0 H THR A 41 16.690 4.865 -21.977 1.00 0.00 H new ATOM 0 HA THR A 41 18.360 7.332 -21.780 1.00 0.00 H new ATOM 0 HB THR A 41 19.507 6.704 -19.915 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.109 3.967 -19.734 1.00 0.00 H new ATOM 0 HG21 THR A 41 18.298 5.285 -18.241 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.170 6.404 -19.042 1.00 0.00 H new ATOM 0 HG23 THR A 41 17.221 4.692 -19.527 1.00 0.00 H new ATOM 648 N GLU A 42 20.462 5.682 -22.662 1.00 0.00 N ATOM 649 CA GLU A 42 21.419 5.049 -23.645 1.00 0.00 C ATOM 650 C GLU A 42 22.158 3.847 -23.004 1.00 0.00 C ATOM 651 O GLU A 42 22.072 3.651 -21.807 1.00 0.00 O ATOM 652 CB GLU A 42 22.512 6.072 -24.091 1.00 0.00 C ATOM 653 CG GLU A 42 23.586 6.275 -22.917 1.00 0.00 C ATOM 654 CD GLU A 42 25.028 6.317 -23.441 1.00 0.00 C ATOM 655 OE1 GLU A 42 25.354 7.363 -23.969 1.00 0.00 O ATOM 656 OE2 GLU A 42 25.710 5.309 -23.278 1.00 0.00 O ATOM 0 H GLU A 42 20.922 6.230 -21.936 1.00 0.00 H new ATOM 0 HA GLU A 42 20.824 4.722 -24.498 1.00 0.00 H new ATOM 0 HB2 GLU A 42 23.010 5.715 -24.993 1.00 0.00 H new ATOM 0 HB3 GLU A 42 22.048 7.027 -24.340 1.00 0.00 H new ATOM 0 HG2 GLU A 42 23.369 7.202 -22.386 1.00 0.00 H new ATOM 0 HG3 GLU A 42 23.488 5.464 -22.195 1.00 0.00 H new ATOM 663 N ARG A 43 22.831 3.112 -23.849 1.00 0.00 N ATOM 664 CA ARG A 43 23.641 1.903 -23.488 1.00 0.00 C ATOM 665 C ARG A 43 25.197 2.181 -23.379 1.00 0.00 C ATOM 666 O ARG A 43 25.870 2.098 -24.389 1.00 0.00 O ATOM 667 CB ARG A 43 23.291 0.868 -24.568 1.00 0.00 C ATOM 668 CG ARG A 43 23.970 -0.447 -24.267 1.00 0.00 C ATOM 669 CD ARG A 43 23.712 -1.387 -25.427 1.00 0.00 C ATOM 670 NE ARG A 43 24.442 -2.637 -25.063 1.00 0.00 N ATOM 671 CZ ARG A 43 23.931 -3.790 -25.226 1.00 0.00 C ATOM 672 NH1 ARG A 43 23.072 -4.163 -24.384 1.00 0.00 N ATOM 673 NH2 ARG A 43 24.325 -4.471 -26.214 1.00 0.00 N ATOM 0 H ARG A 43 22.853 3.317 -24.848 1.00 0.00 H new ATOM 0 HA ARG A 43 23.396 1.550 -22.486 1.00 0.00 H new ATOM 0 HB2 ARG A 43 22.211 0.727 -24.611 1.00 0.00 H new ATOM 0 HB3 ARG A 43 23.604 1.232 -25.547 1.00 0.00 H new ATOM 0 HG2 ARG A 43 25.041 -0.299 -24.128 1.00 0.00 H new ATOM 0 HG3 ARG A 43 23.584 -0.871 -23.340 1.00 0.00 H new ATOM 0 HD2 ARG A 43 22.646 -1.573 -25.558 1.00 0.00 H new ATOM 0 HD3 ARG A 43 24.080 -0.971 -26.365 1.00 0.00 H new ATOM 0 HE ARG A 43 25.381 -2.564 -24.671 1.00 0.00 H new ATOM 0 HH11 ARG A 43 22.814 -3.548 -23.612 1.00 0.00 H new ATOM 0 HH12 ARG A 43 22.635 -5.080 -24.474 1.00 0.00 H new ATOM 0 HH21 ARG A 43 25.029 -4.091 -26.847 1.00 0.00 H new ATOM 0 HH22 ARG A 43 23.939 -5.401 -26.379 1.00 0.00 H new ATOM 687 N PRO A 44 25.758 2.502 -22.228 1.00 0.00 N ATOM 688 CA PRO A 44 27.248 2.784 -22.042 1.00 0.00 C ATOM 689 C PRO A 44 28.397 1.890 -22.655 1.00 0.00 C ATOM 690 O PRO A 44 28.217 0.700 -22.841 1.00 0.00 O ATOM 691 CB PRO A 44 27.353 2.872 -20.533 1.00 0.00 C ATOM 692 CG PRO A 44 26.005 3.516 -20.151 1.00 0.00 C ATOM 693 CD PRO A 44 25.017 2.662 -20.947 1.00 0.00 C ATOM 0 HA PRO A 44 27.473 3.657 -22.655 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.480 1.891 -20.076 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.200 3.482 -20.218 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.817 3.467 -19.078 1.00 0.00 H new ATOM 0 HG3 PRO A 44 25.959 4.567 -20.435 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.814 1.706 -20.464 1.00 0.00 H new ATOM 0 HD3 PRO A 44 24.057 3.160 -21.084 1.00 0.00 H new ATOM 701 N GLY A 45 29.539 2.490 -22.960 1.00 0.00 N ATOM 702 CA GLY A 45 30.748 1.762 -23.549 1.00 0.00 C ATOM 703 C GLY A 45 32.102 1.603 -22.775 1.00 0.00 C ATOM 704 O GLY A 45 32.812 0.656 -23.037 1.00 0.00 O ATOM 0 H GLY A 45 29.694 3.489 -22.822 1.00 0.00 H new ATOM 0 HA2 GLY A 45 30.413 0.755 -23.799 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.984 2.262 -24.488 1.00 0.00 H new ATOM 708 N MET A 46 32.477 2.482 -21.876 1.00 0.00 N ATOM 709 CA MET A 46 33.795 2.302 -21.142 1.00 0.00 C ATOM 710 C MET A 46 33.843 1.130 -20.133 1.00 0.00 C ATOM 711 O MET A 46 34.746 0.319 -20.141 1.00 0.00 O ATOM 712 CB MET A 46 34.141 3.613 -20.381 1.00 0.00 C ATOM 713 CG MET A 46 34.305 4.777 -21.358 1.00 0.00 C ATOM 714 SD MET A 46 32.825 5.340 -22.233 1.00 0.00 S ATOM 715 CE MET A 46 32.425 6.738 -21.154 1.00 0.00 C ATOM 0 H MET A 46 31.943 3.310 -21.613 1.00 0.00 H new ATOM 0 HA MET A 46 34.520 2.061 -21.919 1.00 0.00 H new ATOM 0 HB2 MET A 46 33.353 3.842 -19.664 1.00 0.00 H new ATOM 0 HB3 MET A 46 35.061 3.477 -19.812 1.00 0.00 H new ATOM 0 HG2 MET A 46 34.714 5.624 -20.808 1.00 0.00 H new ATOM 0 HG3 MET A 46 35.048 4.491 -22.102 1.00 0.00 H new ATOM 0 HE1 MET A 46 31.527 7.235 -21.521 1.00 0.00 H new ATOM 0 HE2 MET A 46 32.252 6.377 -20.140 1.00 0.00 H new ATOM 0 HE3 MET A 46 33.255 7.444 -21.151 1.00 0.00 H new ATOM 725 N LEU A 47 32.866 1.090 -19.275 1.00 0.00 N ATOM 726 CA LEU A 47 32.818 -0.014 -18.255 1.00 0.00 C ATOM 727 C LEU A 47 32.021 -1.173 -18.880 1.00 0.00 C ATOM 728 O LEU A 47 32.577 -2.230 -19.064 1.00 0.00 O ATOM 729 CB LEU A 47 32.152 0.562 -16.955 1.00 0.00 C ATOM 730 CG LEU A 47 33.198 1.212 -15.977 1.00 0.00 C ATOM 731 CD1 LEU A 47 34.151 0.119 -15.429 1.00 0.00 C ATOM 732 CD2 LEU A 47 34.052 2.266 -16.709 1.00 0.00 C ATOM 0 H LEU A 47 32.101 1.763 -19.228 1.00 0.00 H new ATOM 0 HA LEU A 47 33.803 -0.390 -17.978 1.00 0.00 H new ATOM 0 HB2 LEU A 47 31.407 1.308 -17.233 1.00 0.00 H new ATOM 0 HB3 LEU A 47 31.624 -0.238 -16.437 1.00 0.00 H new ATOM 0 HG LEU A 47 32.648 1.687 -15.165 1.00 0.00 H new ATOM 0 HD11 LEU A 47 34.874 0.573 -14.752 1.00 0.00 H new ATOM 0 HD12 LEU A 47 33.572 -0.632 -14.891 1.00 0.00 H new ATOM 0 HD13 LEU A 47 34.677 -0.354 -16.258 1.00 0.00 H new ATOM 0 HD21 LEU A 47 34.768 2.702 -16.012 1.00 0.00 H new ATOM 0 HD22 LEU A 47 34.588 1.793 -17.532 1.00 0.00 H new ATOM 0 HD23 LEU A 47 33.405 3.050 -17.102 1.00 0.00 H new ATOM 744 N ASP A 48 30.755 -0.958 -19.117 1.00 0.00 N ATOM 745 CA ASP A 48 29.820 -1.957 -19.756 1.00 0.00 C ATOM 746 C ASP A 48 29.162 -2.846 -18.729 1.00 0.00 C ATOM 747 O ASP A 48 27.964 -3.060 -18.775 1.00 0.00 O ATOM 748 CB ASP A 48 30.572 -2.859 -20.842 1.00 0.00 C ATOM 749 CG ASP A 48 30.778 -2.057 -22.115 1.00 0.00 C ATOM 750 OD1 ASP A 48 30.533 -0.866 -22.095 1.00 0.00 O ATOM 751 OD2 ASP A 48 31.157 -2.679 -23.083 1.00 0.00 O ATOM 0 H ASP A 48 30.297 -0.078 -18.881 1.00 0.00 H new ATOM 0 HA ASP A 48 29.047 -1.376 -20.258 1.00 0.00 H new ATOM 0 HB2 ASP A 48 31.533 -3.192 -20.450 1.00 0.00 H new ATOM 0 HB3 ASP A 48 29.987 -3.754 -21.054 1.00 0.00 H new ATOM 756 N PHE A 49 29.948 -3.352 -17.815 1.00 0.00 N ATOM 757 CA PHE A 49 29.324 -4.230 -16.775 1.00 0.00 C ATOM 758 C PHE A 49 28.554 -3.266 -15.869 1.00 0.00 C ATOM 759 O PHE A 49 27.464 -3.523 -15.413 1.00 0.00 O ATOM 760 CB PHE A 49 30.457 -5.023 -16.022 1.00 0.00 C ATOM 761 CG PHE A 49 31.147 -4.311 -14.836 1.00 0.00 C ATOM 762 CD1 PHE A 49 30.453 -4.016 -13.671 1.00 0.00 C ATOM 763 CD2 PHE A 49 32.485 -3.973 -14.908 1.00 0.00 C ATOM 764 CE1 PHE A 49 31.085 -3.401 -12.612 1.00 0.00 C ATOM 765 CE2 PHE A 49 33.123 -3.355 -13.848 1.00 0.00 C ATOM 766 CZ PHE A 49 32.419 -3.071 -12.698 1.00 0.00 C ATOM 0 H PHE A 49 30.955 -3.206 -17.740 1.00 0.00 H new ATOM 0 HA PHE A 49 28.650 -4.988 -17.174 1.00 0.00 H new ATOM 0 HB2 PHE A 49 30.029 -5.956 -15.654 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.224 -5.289 -16.749 1.00 0.00 H new ATOM 0 HD1 PHE A 49 29.406 -4.271 -13.593 1.00 0.00 H new ATOM 0 HD2 PHE A 49 33.041 -4.195 -15.807 1.00 0.00 H new ATOM 0 HE1 PHE A 49 30.532 -3.177 -11.712 1.00 0.00 H new ATOM 0 HE2 PHE A 49 34.169 -3.096 -13.921 1.00 0.00 H new ATOM 0 HZ PHE A 49 32.912 -2.591 -11.866 1.00 0.00 H new ATOM 776 N LYS A 50 29.148 -2.134 -15.639 1.00 0.00 N ATOM 777 CA LYS A 50 28.473 -1.108 -14.766 1.00 0.00 C ATOM 778 C LYS A 50 27.745 -0.074 -15.676 1.00 0.00 C ATOM 779 O LYS A 50 27.276 0.961 -15.244 1.00 0.00 O ATOM 780 CB LYS A 50 29.537 -0.392 -13.911 1.00 0.00 C ATOM 781 CG LYS A 50 28.813 0.269 -12.695 1.00 0.00 C ATOM 782 CD LYS A 50 29.657 1.334 -11.925 1.00 0.00 C ATOM 783 CE LYS A 50 31.015 0.843 -11.388 1.00 0.00 C ATOM 784 NZ LYS A 50 32.017 0.981 -12.492 1.00 0.00 N ATOM 0 H LYS A 50 30.061 -1.865 -16.007 1.00 0.00 H new ATOM 0 HA LYS A 50 27.749 -1.591 -14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.290 -1.101 -13.567 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.056 0.363 -14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.896 0.740 -13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.519 -0.514 -11.996 1.00 0.00 H new ATOM 0 HD2 LYS A 50 29.833 2.181 -12.588 1.00 0.00 H new ATOM 0 HD3 LYS A 50 29.066 1.703 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 50 31.318 1.430 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 50 30.945 -0.195 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 32.405 0.045 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 31.555 1.386 -13.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 32.788 1.608 -12.185 1.00 0.00 H new ATOM 798 N GLY A 51 27.696 -0.431 -16.932 1.00 0.00 N ATOM 799 CA GLY A 51 27.051 0.395 -18.004 1.00 0.00 C ATOM 800 C GLY A 51 25.906 -0.354 -18.702 1.00 0.00 C ATOM 801 O GLY A 51 24.753 -0.063 -18.457 1.00 0.00 O ATOM 0 H GLY A 51 28.096 -1.304 -17.277 1.00 0.00 H new ATOM 0 HA2 GLY A 51 26.667 1.318 -17.568 1.00 0.00 H new ATOM 0 HA3 GLY A 51 27.801 0.679 -18.742 1.00 0.00 H new ATOM 805 N LYS A 52 26.239 -1.300 -19.546 1.00 0.00 N ATOM 806 CA LYS A 52 25.184 -2.080 -20.264 1.00 0.00 C ATOM 807 C LYS A 52 24.434 -3.067 -19.358 1.00 0.00 C ATOM 808 O LYS A 52 23.229 -3.053 -19.352 1.00 0.00 O ATOM 809 CB LYS A 52 25.855 -2.843 -21.373 1.00 0.00 C ATOM 810 CG LYS A 52 26.640 -1.950 -22.353 1.00 0.00 C ATOM 811 CD LYS A 52 27.759 -2.880 -22.828 1.00 0.00 C ATOM 812 CE LYS A 52 28.396 -2.593 -24.201 1.00 0.00 C ATOM 813 NZ LYS A 52 29.094 -1.291 -24.189 1.00 0.00 N ATOM 0 H LYS A 52 27.198 -1.566 -19.769 1.00 0.00 H new ATOM 0 HA LYS A 52 24.441 -1.375 -20.637 1.00 0.00 H new ATOM 0 HB2 LYS A 52 26.535 -3.575 -20.938 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.100 -3.400 -21.928 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.017 -1.610 -23.180 1.00 0.00 H new ATOM 0 HG3 LYS A 52 27.034 -1.059 -21.864 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.552 -2.860 -22.080 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.365 -3.896 -22.847 1.00 0.00 H new ATOM 0 HE2 LYS A 52 29.099 -3.386 -24.455 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.626 -2.592 -24.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 28.708 -0.683 -24.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.957 -0.832 -23.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 30.110 -1.440 -24.354 1.00 0.00 H new ATOM 827 N ALA A 53 25.136 -3.876 -18.605 1.00 0.00 N ATOM 828 CA ALA A 53 24.425 -4.858 -17.721 1.00 0.00 C ATOM 829 C ALA A 53 23.214 -4.186 -17.010 1.00 0.00 C ATOM 830 O ALA A 53 22.095 -4.589 -17.220 1.00 0.00 O ATOM 831 CB ALA A 53 25.408 -5.406 -16.683 1.00 0.00 C ATOM 0 H ALA A 53 26.155 -3.902 -18.561 1.00 0.00 H new ATOM 0 HA ALA A 53 24.045 -5.676 -18.334 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.896 -6.120 -16.038 1.00 0.00 H new ATOM 0 HB2 ALA A 53 26.234 -5.904 -17.191 1.00 0.00 H new ATOM 0 HB3 ALA A 53 25.795 -4.585 -16.079 1.00 0.00 H new ATOM 837 N LYS A 54 23.428 -3.179 -16.200 1.00 0.00 N ATOM 838 CA LYS A 54 22.280 -2.489 -15.495 1.00 0.00 C ATOM 839 C LYS A 54 21.237 -1.837 -16.449 1.00 0.00 C ATOM 840 O LYS A 54 20.179 -1.407 -16.049 1.00 0.00 O ATOM 841 CB LYS A 54 22.887 -1.412 -14.585 1.00 0.00 C ATOM 842 CG LYS A 54 23.607 -0.367 -15.491 1.00 0.00 C ATOM 843 CD LYS A 54 24.495 0.523 -14.623 1.00 0.00 C ATOM 844 CE LYS A 54 23.686 1.540 -13.817 1.00 0.00 C ATOM 845 NZ LYS A 54 23.451 2.736 -14.667 1.00 0.00 N ATOM 0 H LYS A 54 24.350 -2.796 -15.990 1.00 0.00 H new ATOM 0 HA LYS A 54 21.728 -3.248 -14.940 1.00 0.00 H new ATOM 0 HB2 LYS A 54 22.109 -0.931 -13.992 1.00 0.00 H new ATOM 0 HB3 LYS A 54 23.592 -1.858 -13.884 1.00 0.00 H new ATOM 0 HG2 LYS A 54 24.207 -0.875 -16.246 1.00 0.00 H new ATOM 0 HG3 LYS A 54 22.873 0.239 -16.022 1.00 0.00 H new ATOM 0 HD2 LYS A 54 25.074 -0.100 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 54 25.208 1.050 -15.257 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.737 1.106 -13.503 1.00 0.00 H new ATOM 0 HE3 LYS A 54 24.224 1.819 -12.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 24.034 3.526 -14.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 23.707 2.518 -15.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.447 3.002 -14.622 1.00 0.00 H new ATOM 859 N TRP A 55 21.520 -1.798 -17.716 1.00 0.00 N ATOM 860 CA TRP A 55 20.626 -1.181 -18.763 1.00 0.00 C ATOM 861 C TRP A 55 19.804 -2.296 -19.404 1.00 0.00 C ATOM 862 O TRP A 55 18.605 -2.254 -19.584 1.00 0.00 O ATOM 863 CB TRP A 55 21.542 -0.538 -19.773 1.00 0.00 C ATOM 864 CG TRP A 55 20.765 0.422 -20.636 1.00 0.00 C ATOM 865 CD1 TRP A 55 20.506 1.690 -20.247 1.00 0.00 C ATOM 866 CD2 TRP A 55 20.233 0.182 -21.856 1.00 0.00 C ATOM 867 NE1 TRP A 55 19.823 2.151 -21.265 1.00 0.00 N ATOM 868 CE2 TRP A 55 19.598 1.341 -22.277 1.00 0.00 C ATOM 869 CE3 TRP A 55 20.208 -0.945 -22.678 1.00 0.00 C ATOM 870 CZ2 TRP A 55 18.941 1.410 -23.496 1.00 0.00 C ATOM 871 CZ3 TRP A 55 19.547 -0.893 -23.912 1.00 0.00 C ATOM 872 CH2 TRP A 55 18.914 0.288 -24.320 1.00 0.00 C ATOM 0 H TRP A 55 22.381 -2.188 -18.100 1.00 0.00 H new ATOM 0 HA TRP A 55 19.939 -0.441 -18.352 1.00 0.00 H new ATOM 0 HB2 TRP A 55 22.347 -0.010 -19.262 1.00 0.00 H new ATOM 0 HB3 TRP A 55 22.007 -1.304 -20.394 1.00 0.00 H new ATOM 0 HD1 TRP A 55 20.789 2.193 -19.334 1.00 0.00 H new ATOM 0 HE1 TRP A 55 19.476 3.110 -21.273 1.00 0.00 H new ATOM 0 HE3 TRP A 55 20.697 -1.855 -22.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 18.455 2.324 -23.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 19.525 -1.765 -24.549 1.00 0.00 H new ATOM 0 HH2 TRP A 55 18.406 0.328 -25.272 1.00 0.00 H new ATOM 883 N ASP A 56 20.556 -3.315 -19.687 1.00 0.00 N ATOM 884 CA ASP A 56 20.085 -4.567 -20.317 1.00 0.00 C ATOM 885 C ASP A 56 19.076 -5.056 -19.269 1.00 0.00 C ATOM 886 O ASP A 56 17.933 -5.309 -19.584 1.00 0.00 O ATOM 887 CB ASP A 56 21.412 -5.334 -20.505 1.00 0.00 C ATOM 888 CG ASP A 56 21.949 -4.926 -21.863 1.00 0.00 C ATOM 889 OD1 ASP A 56 21.246 -5.133 -22.841 1.00 0.00 O ATOM 890 OD2 ASP A 56 23.051 -4.411 -21.876 1.00 0.00 O ATOM 0 H ASP A 56 21.556 -3.324 -19.488 1.00 0.00 H new ATOM 0 HA ASP A 56 19.577 -4.598 -21.281 1.00 0.00 H new ATOM 0 HB2 ASP A 56 22.121 -5.085 -19.715 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.249 -6.411 -20.459 1.00 0.00 H new ATOM 895 N ALA A 57 19.555 -5.133 -18.060 1.00 0.00 N ATOM 896 CA ALA A 57 18.760 -5.560 -16.881 1.00 0.00 C ATOM 897 C ALA A 57 17.369 -4.855 -16.881 1.00 0.00 C ATOM 898 O ALA A 57 16.416 -5.375 -16.349 1.00 0.00 O ATOM 899 CB ALA A 57 19.615 -5.203 -15.644 1.00 0.00 C ATOM 0 H ALA A 57 20.522 -4.903 -17.833 1.00 0.00 H new ATOM 0 HA ALA A 57 18.544 -6.628 -16.888 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.083 -5.493 -14.738 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.565 -5.734 -15.693 1.00 0.00 H new ATOM 0 HB3 ALA A 57 19.800 -4.129 -15.627 1.00 0.00 H new ATOM 905 N TRP A 58 17.289 -3.679 -17.474 1.00 0.00 N ATOM 906 CA TRP A 58 16.002 -2.883 -17.562 1.00 0.00 C ATOM 907 C TRP A 58 15.311 -3.091 -18.959 1.00 0.00 C ATOM 908 O TRP A 58 14.108 -3.173 -19.095 1.00 0.00 O ATOM 909 CB TRP A 58 16.376 -1.412 -17.301 1.00 0.00 C ATOM 910 CG TRP A 58 15.132 -0.510 -17.284 1.00 0.00 C ATOM 911 CD1 TRP A 58 13.833 -0.926 -17.262 1.00 0.00 C ATOM 912 CD2 TRP A 58 15.160 0.838 -17.310 1.00 0.00 C ATOM 913 NE1 TRP A 58 13.156 0.207 -17.281 1.00 0.00 N ATOM 914 CE2 TRP A 58 13.862 1.322 -17.308 1.00 0.00 C ATOM 915 CE3 TRP A 58 16.231 1.729 -17.324 1.00 0.00 C ATOM 916 CZ2 TRP A 58 13.623 2.686 -17.324 1.00 0.00 C ATOM 917 CZ3 TRP A 58 15.984 3.105 -17.336 1.00 0.00 C ATOM 918 CH2 TRP A 58 14.685 3.586 -17.336 1.00 0.00 C ATOM 0 H TRP A 58 18.086 -3.221 -17.916 1.00 0.00 H new ATOM 0 HA TRP A 58 15.273 -3.216 -16.823 1.00 0.00 H new ATOM 0 HB2 TRP A 58 16.898 -1.332 -16.348 1.00 0.00 H new ATOM 0 HB3 TRP A 58 17.066 -1.068 -18.072 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.452 -1.936 -17.235 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.136 0.220 -17.275 1.00 0.00 H new ATOM 0 HE3 TRP A 58 17.246 1.359 -17.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.607 3.053 -17.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 16.812 3.798 -17.345 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.498 4.650 -17.345 1.00 0.00 H new ATOM 929 N ASN A 59 16.106 -3.153 -19.993 1.00 0.00 N ATOM 930 CA ASN A 59 15.641 -3.373 -21.413 1.00 0.00 C ATOM 931 C ASN A 59 14.785 -4.663 -21.262 1.00 0.00 C ATOM 932 O ASN A 59 13.686 -4.783 -21.760 1.00 0.00 O ATOM 933 CB ASN A 59 16.939 -3.523 -22.264 1.00 0.00 C ATOM 934 CG ASN A 59 16.680 -3.729 -23.754 1.00 0.00 C ATOM 935 OD1 ASN A 59 15.747 -3.225 -24.337 1.00 0.00 O ATOM 936 ND2 ASN A 59 17.492 -4.468 -24.438 1.00 0.00 N ATOM 0 H ASN A 59 17.118 -3.055 -19.914 1.00 0.00 H new ATOM 0 HA ASN A 59 15.053 -2.596 -21.903 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.554 -2.633 -22.132 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.515 -4.367 -21.885 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.335 -4.610 -25.436 1.00 0.00 H new ATOM 0 HD22 ASN A 59 18.289 -4.909 -23.980 1.00 0.00 H new ATOM 943 N GLU A 60 15.377 -5.578 -20.544 1.00 0.00 N ATOM 944 CA GLU A 60 14.761 -6.908 -20.217 1.00 0.00 C ATOM 945 C GLU A 60 13.331 -6.743 -19.578 1.00 0.00 C ATOM 946 O GLU A 60 12.541 -7.660 -19.514 1.00 0.00 O ATOM 947 CB GLU A 60 15.707 -7.628 -19.233 1.00 0.00 C ATOM 948 CG GLU A 60 15.278 -9.124 -19.087 1.00 0.00 C ATOM 949 CD GLU A 60 15.637 -9.717 -17.719 1.00 0.00 C ATOM 950 OE1 GLU A 60 16.813 -9.700 -17.402 1.00 0.00 O ATOM 951 OE2 GLU A 60 14.702 -10.155 -17.070 1.00 0.00 O ATOM 0 H GLU A 60 16.309 -5.455 -20.149 1.00 0.00 H new ATOM 0 HA GLU A 60 14.633 -7.488 -21.131 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.734 -7.568 -19.592 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.679 -7.135 -18.261 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.202 -9.205 -19.241 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.757 -9.712 -19.869 1.00 0.00 H new ATOM 958 N LEU A 61 13.034 -5.553 -19.143 1.00 0.00 N ATOM 959 CA LEU A 61 11.730 -5.180 -18.486 1.00 0.00 C ATOM 960 C LEU A 61 11.086 -3.975 -19.243 1.00 0.00 C ATOM 961 O LEU A 61 10.146 -3.328 -18.815 1.00 0.00 O ATOM 962 CB LEU A 61 11.974 -4.748 -17.013 1.00 0.00 C ATOM 963 CG LEU A 61 13.025 -5.578 -16.258 1.00 0.00 C ATOM 964 CD1 LEU A 61 13.029 -5.066 -14.818 1.00 0.00 C ATOM 965 CD2 LEU A 61 12.659 -7.056 -16.244 1.00 0.00 C ATOM 0 H LEU A 61 13.680 -4.767 -19.218 1.00 0.00 H new ATOM 0 HA LEU A 61 11.070 -6.047 -18.515 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.283 -3.703 -17.003 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.030 -4.806 -16.472 1.00 0.00 H new ATOM 0 HG LEU A 61 13.996 -5.477 -16.743 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.762 -5.624 -14.235 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.289 -4.007 -14.809 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.039 -5.200 -14.381 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.422 -7.615 -15.703 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.695 -7.188 -15.752 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.597 -7.425 -17.268 1.00 0.00 H new ATOM 977 N LYS A 62 11.593 -3.672 -20.397 1.00 0.00 N ATOM 978 CA LYS A 62 11.074 -2.533 -21.203 1.00 0.00 C ATOM 979 C LYS A 62 9.588 -2.449 -21.474 1.00 0.00 C ATOM 980 O LYS A 62 9.127 -1.401 -21.868 1.00 0.00 O ATOM 981 CB LYS A 62 11.894 -2.521 -22.537 1.00 0.00 C ATOM 982 CG LYS A 62 11.435 -1.383 -23.473 1.00 0.00 C ATOM 983 CD LYS A 62 10.333 -1.886 -24.462 1.00 0.00 C ATOM 984 CE LYS A 62 9.665 -0.709 -25.186 1.00 0.00 C ATOM 985 NZ LYS A 62 8.985 0.123 -24.151 1.00 0.00 N ATOM 0 H LYS A 62 12.366 -4.177 -20.830 1.00 0.00 H new ATOM 0 HA LYS A 62 11.213 -1.646 -20.584 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.954 -2.404 -22.313 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.780 -3.479 -23.044 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.047 -0.554 -22.881 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.288 -1.002 -24.035 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.776 -2.563 -25.193 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.581 -2.455 -23.915 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.406 -0.120 -25.726 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.946 -1.069 -25.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.966 0.165 -24.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.134 -0.300 -23.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.380 1.085 -24.164 1.00 0.00 H new ATOM 999 N GLY A 63 8.849 -3.495 -21.280 1.00 0.00 N ATOM 1000 CA GLY A 63 7.364 -3.455 -21.536 1.00 0.00 C ATOM 1001 C GLY A 63 6.730 -4.146 -20.329 1.00 0.00 C ATOM 1002 O GLY A 63 5.728 -4.825 -20.431 1.00 0.00 O ATOM 0 H GLY A 63 9.201 -4.394 -20.951 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.009 -2.429 -21.634 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.110 -3.970 -22.463 1.00 0.00 H new ATOM 1006 N THR A 64 7.379 -3.921 -19.219 1.00 0.00 N ATOM 1007 CA THR A 64 6.939 -4.511 -17.898 1.00 0.00 C ATOM 1008 C THR A 64 5.978 -3.608 -17.123 1.00 0.00 C ATOM 1009 O THR A 64 5.898 -2.424 -17.403 1.00 0.00 O ATOM 1010 CB THR A 64 8.209 -4.772 -17.056 1.00 0.00 C ATOM 1011 OG1 THR A 64 8.948 -5.700 -17.822 1.00 0.00 O ATOM 1012 CG2 THR A 64 7.951 -5.500 -15.725 1.00 0.00 C ATOM 0 H THR A 64 8.216 -3.341 -19.160 1.00 0.00 H new ATOM 0 HA THR A 64 6.390 -5.431 -18.099 1.00 0.00 H new ATOM 0 HB THR A 64 8.674 -3.812 -16.834 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.390 -6.339 -17.225 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.895 -5.642 -15.199 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.278 -4.904 -15.109 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.497 -6.471 -15.923 1.00 0.00 H new ATOM 1020 N SER A 65 5.286 -4.179 -16.157 1.00 0.00 N ATOM 1021 CA SER A 65 4.324 -3.358 -15.356 1.00 0.00 C ATOM 1022 C SER A 65 5.006 -2.784 -14.106 1.00 0.00 C ATOM 1023 O SER A 65 5.530 -3.462 -13.236 1.00 0.00 O ATOM 1024 CB SER A 65 3.066 -4.210 -14.878 1.00 0.00 C ATOM 1025 OG SER A 65 3.358 -4.785 -13.599 1.00 0.00 O ATOM 0 H SER A 65 5.347 -5.163 -15.895 1.00 0.00 H new ATOM 0 HA SER A 65 3.988 -2.555 -16.012 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.182 -3.575 -14.814 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.843 -4.994 -15.602 1.00 0.00 H new ATOM 0 HG SER A 65 3.009 -5.700 -13.564 1.00 0.00 H new ATOM 1031 N LYS A 66 4.973 -1.472 -14.118 1.00 0.00 N ATOM 1032 CA LYS A 66 5.560 -0.682 -12.998 1.00 0.00 C ATOM 1033 C LYS A 66 5.231 -1.413 -11.697 1.00 0.00 C ATOM 1034 O LYS A 66 6.078 -1.649 -10.869 1.00 0.00 O ATOM 1035 CB LYS A 66 4.964 0.732 -13.035 1.00 0.00 C ATOM 1036 CG LYS A 66 5.545 1.463 -14.267 1.00 0.00 C ATOM 1037 CD LYS A 66 4.970 2.898 -14.269 1.00 0.00 C ATOM 1038 CE LYS A 66 5.748 3.845 -15.200 1.00 0.00 C ATOM 1039 NZ LYS A 66 5.759 3.306 -16.594 1.00 0.00 N ATOM 0 H LYS A 66 4.560 -0.913 -14.865 1.00 0.00 H new ATOM 0 HA LYS A 66 6.643 -0.588 -13.081 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.877 0.686 -13.097 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.208 1.273 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.634 1.486 -14.221 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.276 0.941 -15.185 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.925 2.867 -14.579 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.990 3.295 -13.254 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.291 4.834 -15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.770 3.962 -14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.559 3.715 -17.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.857 2.271 -16.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.869 3.557 -17.070 1.00 0.00 H new ATOM 1053 N GLU A 67 3.977 -1.735 -11.586 1.00 0.00 N ATOM 1054 CA GLU A 67 3.431 -2.462 -10.422 1.00 0.00 C ATOM 1055 C GLU A 67 4.190 -3.746 -10.088 1.00 0.00 C ATOM 1056 O GLU A 67 4.637 -3.879 -8.967 1.00 0.00 O ATOM 1057 CB GLU A 67 1.977 -2.750 -10.734 1.00 0.00 C ATOM 1058 CG GLU A 67 1.083 -1.544 -10.212 1.00 0.00 C ATOM 1059 CD GLU A 67 -0.231 -1.959 -9.513 1.00 0.00 C ATOM 1060 OE1 GLU A 67 -0.313 -3.117 -9.108 1.00 0.00 O ATOM 1061 OE2 GLU A 67 -1.038 -1.044 -9.424 1.00 0.00 O ATOM 0 H GLU A 67 3.278 -1.510 -12.294 1.00 0.00 H new ATOM 0 HA GLU A 67 3.539 -1.844 -9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.842 -2.881 -11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.668 -3.681 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.674 -0.948 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.840 -0.900 -11.057 1.00 0.00 H new ATOM 1068 N ASP A 68 4.336 -4.698 -10.964 1.00 0.00 N ATOM 1069 CA ASP A 68 5.099 -5.937 -10.596 1.00 0.00 C ATOM 1070 C ASP A 68 6.532 -5.610 -10.213 1.00 0.00 C ATOM 1071 O ASP A 68 7.110 -6.158 -9.289 1.00 0.00 O ATOM 1072 CB ASP A 68 5.007 -6.857 -11.797 1.00 0.00 C ATOM 1073 CG ASP A 68 3.684 -7.580 -11.686 1.00 0.00 C ATOM 1074 OD1 ASP A 68 3.629 -8.419 -10.800 1.00 0.00 O ATOM 1075 OD2 ASP A 68 2.848 -7.211 -12.492 1.00 0.00 O ATOM 0 H ASP A 68 3.966 -4.680 -11.914 1.00 0.00 H new ATOM 0 HA ASP A 68 4.679 -6.423 -9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.061 -6.289 -12.726 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.836 -7.565 -11.807 1.00 0.00 H new ATOM 1080 N ALA A 69 7.041 -4.699 -10.991 1.00 0.00 N ATOM 1081 CA ALA A 69 8.431 -4.219 -10.787 1.00 0.00 C ATOM 1082 C ALA A 69 8.473 -3.765 -9.323 1.00 0.00 C ATOM 1083 O ALA A 69 9.453 -4.047 -8.668 1.00 0.00 O ATOM 1084 CB ALA A 69 8.684 -3.083 -11.751 1.00 0.00 C ATOM 0 H ALA A 69 6.546 -4.262 -11.769 1.00 0.00 H new ATOM 0 HA ALA A 69 9.199 -4.970 -10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.701 -2.714 -11.619 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.557 -3.438 -12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.977 -2.277 -11.557 1.00 0.00 H new ATOM 1090 N MET A 70 7.431 -3.098 -8.870 1.00 0.00 N ATOM 1091 CA MET A 70 7.375 -2.633 -7.450 1.00 0.00 C ATOM 1092 C MET A 70 7.462 -3.884 -6.572 1.00 0.00 C ATOM 1093 O MET A 70 8.405 -3.968 -5.820 1.00 0.00 O ATOM 1094 CB MET A 70 6.027 -1.860 -7.207 1.00 0.00 C ATOM 1095 CG MET A 70 5.988 -0.531 -7.983 1.00 0.00 C ATOM 1096 SD MET A 70 4.403 0.340 -8.056 1.00 0.00 S ATOM 1097 CE MET A 70 4.905 1.650 -9.202 1.00 0.00 C ATOM 0 H MET A 70 6.614 -2.857 -9.431 1.00 0.00 H new ATOM 0 HA MET A 70 8.192 -1.951 -7.213 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.188 -2.485 -7.513 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.906 -1.664 -6.142 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.722 0.141 -7.539 1.00 0.00 H new ATOM 0 HG3 MET A 70 6.313 -0.727 -9.005 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.021 2.077 -9.676 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.436 2.429 -8.654 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.561 1.233 -9.966 1.00 0.00 H new ATOM 1107 N LYS A 71 6.532 -4.801 -6.683 1.00 0.00 N ATOM 1108 CA LYS A 71 6.567 -6.050 -5.848 1.00 0.00 C ATOM 1109 C LYS A 71 7.986 -6.640 -5.782 1.00 0.00 C ATOM 1110 O LYS A 71 8.582 -6.732 -4.729 1.00 0.00 O ATOM 1111 CB LYS A 71 5.602 -7.148 -6.427 1.00 0.00 C ATOM 1112 CG LYS A 71 4.094 -6.827 -6.181 1.00 0.00 C ATOM 1113 CD LYS A 71 3.675 -5.611 -7.030 1.00 0.00 C ATOM 1114 CE LYS A 71 2.200 -5.289 -6.951 1.00 0.00 C ATOM 1115 NZ LYS A 71 1.991 -4.064 -7.793 1.00 0.00 N ATOM 0 H LYS A 71 5.740 -4.740 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 71 6.243 -5.765 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.776 -7.248 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.842 -8.110 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.482 -7.691 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.924 -6.620 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.245 -4.740 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.941 -5.797 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.600 -6.121 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.896 -5.109 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.821 -3.244 -7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.837 -3.892 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.169 -4.206 -8.414 1.00 0.00 H new ATOM 1129 N ALA A 72 8.517 -7.009 -6.910 1.00 0.00 N ATOM 1130 CA ALA A 72 9.892 -7.590 -6.877 1.00 0.00 C ATOM 1131 C ALA A 72 10.944 -6.525 -6.446 1.00 0.00 C ATOM 1132 O ALA A 72 11.936 -6.866 -5.835 1.00 0.00 O ATOM 1133 CB ALA A 72 10.104 -8.153 -8.283 1.00 0.00 C ATOM 0 H ALA A 72 8.079 -6.939 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 72 10.012 -8.378 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.095 -8.602 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.348 -8.910 -8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 72 10.020 -7.348 -9.014 1.00 0.00 H new ATOM 1139 N TYR A 73 10.745 -5.265 -6.747 1.00 0.00 N ATOM 1140 CA TYR A 73 11.750 -4.236 -6.325 1.00 0.00 C ATOM 1141 C TYR A 73 11.827 -4.288 -4.813 1.00 0.00 C ATOM 1142 O TYR A 73 12.866 -4.497 -4.225 1.00 0.00 O ATOM 1143 CB TYR A 73 11.271 -2.870 -6.761 1.00 0.00 C ATOM 1144 CG TYR A 73 12.145 -1.761 -6.184 1.00 0.00 C ATOM 1145 CD1 TYR A 73 13.378 -1.545 -6.732 1.00 0.00 C ATOM 1146 CD2 TYR A 73 11.725 -0.954 -5.139 1.00 0.00 C ATOM 1147 CE1 TYR A 73 14.170 -0.545 -6.253 1.00 0.00 C ATOM 1148 CE2 TYR A 73 12.532 0.055 -4.668 1.00 0.00 C ATOM 1149 CZ TYR A 73 13.759 0.264 -5.228 1.00 0.00 C ATOM 1150 OH TYR A 73 14.559 1.288 -4.781 1.00 0.00 O ATOM 0 H TYR A 73 9.940 -4.906 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 73 12.726 -4.426 -6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.278 -2.811 -7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.239 -2.726 -6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.725 -2.167 -7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.756 -1.119 -4.691 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.144 -0.387 -6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.195 0.682 -3.855 1.00 0.00 H new ATOM 0 HH TYR A 73 14.453 2.066 -5.368 1.00 0.00 H new ATOM 1160 N ILE A 74 10.667 -4.099 -4.248 1.00 0.00 N ATOM 1161 CA ILE A 74 10.474 -4.097 -2.766 1.00 0.00 C ATOM 1162 C ILE A 74 11.008 -5.394 -2.179 1.00 0.00 C ATOM 1163 O ILE A 74 11.852 -5.378 -1.312 1.00 0.00 O ATOM 1164 CB ILE A 74 8.987 -3.980 -2.434 1.00 0.00 C ATOM 1165 CG1 ILE A 74 8.410 -2.661 -2.946 1.00 0.00 C ATOM 1166 CG2 ILE A 74 8.862 -3.995 -0.883 1.00 0.00 C ATOM 1167 CD1 ILE A 74 6.888 -2.729 -2.758 1.00 0.00 C ATOM 0 H ILE A 74 9.808 -3.939 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 74 11.012 -3.249 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 74 8.443 -4.800 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.829 -1.818 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.662 -2.513 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.812 -3.913 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.270 -4.928 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.416 -3.154 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.436 -1.803 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.488 -3.569 -3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.658 -2.864 -1.701 1.00 0.00 H new ATOM 1179 N ASP A 75 10.529 -6.501 -2.671 1.00 0.00 N ATOM 1180 CA ASP A 75 11.003 -7.805 -2.140 1.00 0.00 C ATOM 1181 C ASP A 75 12.515 -7.868 -2.240 1.00 0.00 C ATOM 1182 O ASP A 75 13.179 -8.444 -1.403 1.00 0.00 O ATOM 1183 CB ASP A 75 10.282 -8.849 -2.979 1.00 0.00 C ATOM 1184 CG ASP A 75 8.903 -9.172 -2.412 1.00 0.00 C ATOM 1185 OD1 ASP A 75 8.153 -8.224 -2.239 1.00 0.00 O ATOM 1186 OD2 ASP A 75 8.700 -10.355 -2.196 1.00 0.00 O ATOM 0 H ASP A 75 9.833 -6.558 -3.414 1.00 0.00 H new ATOM 0 HA ASP A 75 10.782 -7.967 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.179 -8.487 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.881 -9.759 -3.022 1.00 0.00 H new ATOM 1191 N LYS A 76 13.050 -7.248 -3.260 1.00 0.00 N ATOM 1192 CA LYS A 76 14.522 -7.294 -3.382 1.00 0.00 C ATOM 1193 C LYS A 76 15.043 -6.384 -2.255 1.00 0.00 C ATOM 1194 O LYS A 76 15.941 -6.806 -1.568 1.00 0.00 O ATOM 1195 CB LYS A 76 14.893 -6.795 -4.774 1.00 0.00 C ATOM 1196 CG LYS A 76 16.417 -6.969 -5.000 1.00 0.00 C ATOM 1197 CD LYS A 76 16.849 -8.473 -5.099 1.00 0.00 C ATOM 1198 CE LYS A 76 16.004 -9.215 -6.148 1.00 0.00 C ATOM 1199 NZ LYS A 76 16.605 -10.564 -6.366 1.00 0.00 N ATOM 0 H LYS A 76 12.549 -6.733 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 76 14.956 -8.289 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.337 -7.350 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.617 -5.746 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.705 -6.452 -5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.958 -6.494 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.904 -8.536 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.735 -8.954 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.973 -9.309 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.981 -8.654 -7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.047 -11.083 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.582 -10.458 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.606 -11.093 -5.470 1.00 0.00 H new ATOM 1213 N VAL A 77 14.515 -5.194 -2.088 1.00 0.00 N ATOM 1214 CA VAL A 77 14.984 -4.276 -0.977 1.00 0.00 C ATOM 1215 C VAL A 77 14.976 -5.152 0.292 1.00 0.00 C ATOM 1216 O VAL A 77 15.972 -5.286 0.980 1.00 0.00 O ATOM 1217 CB VAL A 77 14.016 -3.081 -0.847 1.00 0.00 C ATOM 1218 CG1 VAL A 77 14.544 -2.130 0.261 1.00 0.00 C ATOM 1219 CG2 VAL A 77 14.021 -2.299 -2.158 1.00 0.00 C ATOM 0 H VAL A 77 13.774 -4.809 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 77 15.973 -3.856 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 77 13.015 -3.442 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.869 -1.280 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 77 14.597 -2.668 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 77 15.538 -1.773 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.340 -1.451 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 77 15.029 -1.937 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.698 -2.949 -2.971 1.00 0.00 H new ATOM 1229 N GLU A 78 13.842 -5.733 0.585 1.00 0.00 N ATOM 1230 CA GLU A 78 13.702 -6.631 1.761 1.00 0.00 C ATOM 1231 C GLU A 78 14.860 -7.701 1.709 1.00 0.00 C ATOM 1232 O GLU A 78 15.567 -7.884 2.684 1.00 0.00 O ATOM 1233 CB GLU A 78 12.241 -7.147 1.619 1.00 0.00 C ATOM 1234 CG GLU A 78 11.241 -6.164 2.397 1.00 0.00 C ATOM 1235 CD GLU A 78 11.556 -4.671 2.177 1.00 0.00 C ATOM 1236 OE1 GLU A 78 11.259 -4.164 1.104 1.00 0.00 O ATOM 1237 OE2 GLU A 78 12.091 -4.165 3.145 1.00 0.00 O ATOM 0 H GLU A 78 12.987 -5.617 0.041 1.00 0.00 H new ATOM 0 HA GLU A 78 13.822 -6.192 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.966 -7.202 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.161 -8.156 2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.220 -6.364 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.284 -6.384 3.464 1.00 0.00 H new ATOM 1244 N GLU A 79 15.067 -8.399 0.614 1.00 0.00 N ATOM 1245 CA GLU A 79 16.196 -9.408 0.581 1.00 0.00 C ATOM 1246 C GLU A 79 17.538 -8.722 0.932 1.00 0.00 C ATOM 1247 O GLU A 79 18.310 -9.159 1.765 1.00 0.00 O ATOM 1248 CB GLU A 79 16.344 -10.046 -0.826 1.00 0.00 C ATOM 1249 CG GLU A 79 15.127 -10.953 -1.090 1.00 0.00 C ATOM 1250 CD GLU A 79 14.995 -12.122 -0.120 1.00 0.00 C ATOM 1251 OE1 GLU A 79 15.939 -12.497 0.558 1.00 0.00 O ATOM 1252 OE2 GLU A 79 13.888 -12.612 -0.086 1.00 0.00 O ATOM 0 H GLU A 79 14.521 -8.322 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 79 15.955 -10.182 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 79 16.408 -9.269 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.266 -10.625 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.221 -10.350 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.193 -11.344 -2.105 1.00 0.00 H new ATOM 1259 N LEU A 80 17.779 -7.631 0.253 1.00 0.00 N ATOM 1260 CA LEU A 80 19.014 -6.818 0.440 1.00 0.00 C ATOM 1261 C LEU A 80 19.171 -6.599 1.924 1.00 0.00 C ATOM 1262 O LEU A 80 20.230 -6.832 2.469 1.00 0.00 O ATOM 1263 CB LEU A 80 18.828 -5.508 -0.354 1.00 0.00 C ATOM 1264 CG LEU A 80 19.008 -5.824 -1.837 1.00 0.00 C ATOM 1265 CD1 LEU A 80 18.604 -4.626 -2.671 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.485 -6.046 -2.079 1.00 0.00 C ATOM 0 H LEU A 80 17.143 -7.258 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 80 19.920 -7.299 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.838 -5.089 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.554 -4.762 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 80 18.405 -6.692 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.735 -4.858 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.558 -4.385 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.228 -3.772 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.651 -6.275 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.037 -5.145 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.833 -6.879 -1.468 1.00 0.00 H new ATOM 1278 N LYS A 81 18.118 -6.139 2.553 1.00 0.00 N ATOM 1279 CA LYS A 81 18.177 -5.916 4.027 1.00 0.00 C ATOM 1280 C LYS A 81 18.755 -7.187 4.683 1.00 0.00 C ATOM 1281 O LYS A 81 19.760 -7.118 5.353 1.00 0.00 O ATOM 1282 CB LYS A 81 16.747 -5.646 4.600 1.00 0.00 C ATOM 1283 CG LYS A 81 16.887 -5.430 6.151 1.00 0.00 C ATOM 1284 CD LYS A 81 15.504 -5.313 6.843 1.00 0.00 C ATOM 1285 CE LYS A 81 15.617 -4.492 8.152 1.00 0.00 C ATOM 1286 NZ LYS A 81 16.581 -5.127 9.113 1.00 0.00 N ATOM 0 H LYS A 81 17.227 -5.910 2.112 1.00 0.00 H new ATOM 0 HA LYS A 81 18.804 -5.050 4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 81 16.306 -4.767 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.085 -6.486 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.442 -6.262 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 81 17.466 -4.527 6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.793 -4.836 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.116 -6.308 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.945 -3.479 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.635 -4.411 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.093 -5.335 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.947 -6.011 8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.371 -4.476 9.293 1.00 0.00 H new ATOM 1300 N LYS A 82 18.102 -8.304 4.481 1.00 0.00 N ATOM 1301 CA LYS A 82 18.577 -9.592 5.077 1.00 0.00 C ATOM 1302 C LYS A 82 20.068 -9.809 4.914 1.00 0.00 C ATOM 1303 O LYS A 82 20.803 -10.134 5.820 1.00 0.00 O ATOM 1304 CB LYS A 82 17.881 -10.787 4.427 1.00 0.00 C ATOM 1305 CG LYS A 82 16.373 -10.742 4.597 1.00 0.00 C ATOM 1306 CD LYS A 82 15.875 -11.908 3.732 1.00 0.00 C ATOM 1307 CE LYS A 82 14.382 -11.859 3.575 1.00 0.00 C ATOM 1308 NZ LYS A 82 14.053 -12.790 2.458 1.00 0.00 N ATOM 0 H LYS A 82 17.251 -8.380 3.923 1.00 0.00 H new ATOM 0 HA LYS A 82 18.337 -9.518 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.123 -10.811 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.266 -11.709 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.084 -10.865 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.960 -9.790 4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.349 -11.867 2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.166 -12.854 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.883 -12.163 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.047 -10.847 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.463 -12.297 1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.932 -13.112 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.535 -13.611 2.831 1.00 0.00 H new ATOM 1322 N LYS A 83 20.429 -9.634 3.686 1.00 0.00 N ATOM 1323 CA LYS A 83 21.845 -9.782 3.198 1.00 0.00 C ATOM 1324 C LYS A 83 22.873 -8.904 3.865 1.00 0.00 C ATOM 1325 O LYS A 83 23.884 -9.379 4.337 1.00 0.00 O ATOM 1326 CB LYS A 83 21.861 -9.515 1.691 1.00 0.00 C ATOM 1327 CG LYS A 83 21.117 -10.637 0.964 1.00 0.00 C ATOM 1328 CD LYS A 83 20.598 -10.068 -0.365 1.00 0.00 C ATOM 1329 CE LYS A 83 20.132 -11.198 -1.266 1.00 0.00 C ATOM 1330 NZ LYS A 83 21.230 -11.416 -2.246 1.00 0.00 N ATOM 0 H LYS A 83 19.772 -9.380 2.948 1.00 0.00 H new ATOM 0 HA LYS A 83 22.140 -10.799 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 83 21.392 -8.555 1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 83 22.889 -9.455 1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.781 -11.483 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.290 -11.004 1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 83 19.775 -9.378 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.386 -9.499 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.937 -12.102 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.203 -10.936 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 21.286 -12.427 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 21.040 -10.866 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.132 -11.108 -1.831 1.00 0.00 H new ATOM 1344 N TYR A 84 22.586 -7.642 3.871 1.00 0.00 N ATOM 1345 CA TYR A 84 23.515 -6.687 4.494 1.00 0.00 C ATOM 1346 C TYR A 84 22.928 -6.612 5.902 1.00 0.00 C ATOM 1347 O TYR A 84 23.379 -7.289 6.807 1.00 0.00 O ATOM 1348 CB TYR A 84 23.405 -5.433 3.535 1.00 0.00 C ATOM 1349 CG TYR A 84 23.848 -5.966 2.142 1.00 0.00 C ATOM 1350 CD1 TYR A 84 25.182 -6.264 1.925 1.00 0.00 C ATOM 1351 CD2 TYR A 84 22.948 -6.218 1.108 1.00 0.00 C ATOM 1352 CE1 TYR A 84 25.597 -6.806 0.720 1.00 0.00 C ATOM 1353 CE2 TYR A 84 23.377 -6.759 -0.082 1.00 0.00 C ATOM 1354 CZ TYR A 84 24.690 -7.054 -0.281 1.00 0.00 C ATOM 1355 OH TYR A 84 25.078 -7.603 -1.485 1.00 0.00 O ATOM 0 H TYR A 84 21.743 -7.232 3.468 1.00 0.00 H new ATOM 0 HA TYR A 84 24.583 -6.876 4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 84 22.387 -5.044 3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 84 24.047 -4.619 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 84 25.906 -6.072 2.703 1.00 0.00 H new ATOM 0 HD2 TYR A 84 21.902 -5.986 1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 84 26.641 -7.035 0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 84 22.662 -6.952 -0.868 1.00 0.00 H new ATOM 0 HH TYR A 84 24.303 -8.015 -1.922 1.00 0.00 H new ATOM 1365 N GLY A 85 21.945 -5.780 6.039 1.00 0.00 N ATOM 1366 CA GLY A 85 21.276 -5.633 7.386 1.00 0.00 C ATOM 1367 C GLY A 85 21.224 -4.159 7.791 1.00 0.00 C ATOM 1368 O GLY A 85 22.137 -3.628 8.396 1.00 0.00 O ATOM 0 H GLY A 85 21.566 -5.193 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 85 20.267 -6.043 7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 85 21.822 -6.205 8.136 1.00 0.00 H new ATOM 1372 N ILE A 86 20.122 -3.557 7.430 1.00 0.00 N ATOM 1373 CA ILE A 86 19.901 -2.102 7.740 1.00 0.00 C ATOM 1374 C ILE A 86 18.912 -1.944 8.921 1.00 0.00 C ATOM 1375 O ILE A 86 18.208 -2.900 9.195 1.00 0.00 O ATOM 1376 CB ILE A 86 19.375 -1.396 6.395 1.00 0.00 C ATOM 1377 CG1 ILE A 86 18.904 0.054 6.670 1.00 0.00 C ATOM 1378 CG2 ILE A 86 18.217 -2.175 5.748 1.00 0.00 C ATOM 1379 CD1 ILE A 86 18.565 0.808 5.339 1.00 0.00 C ATOM 1380 OXT ILE A 86 18.921 -0.870 9.496 1.00 0.00 O ATOM 0 H ILE A 86 19.356 -4.009 6.930 1.00 0.00 H new ATOM 0 HA ILE A 86 20.826 -1.620 8.056 1.00 0.00 H new ATOM 0 HB ILE A 86 20.220 -1.385 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 86 18.025 0.036 7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 86 19.682 0.595 7.208 1.00 0.00 H new ATOM 0 HG21 ILE A 86 17.894 -1.661 4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 86 18.552 -3.181 5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 86 17.383 -2.236 6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 86 18.238 1.822 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 86 19.452 0.847 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 86 17.769 0.280 4.814 1.00 0.00 H new