USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 489 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 NoAdj-H: A 1 ARG H1 : A 1 ARG N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 ARG H3 : A 1 ARG N : cyclic :(NH2R) USER MOD Single : A 1 ARG N :NH3+ -102:sc= -1.21 (180deg=-1.59) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 5:sc= 1.1 USER MOD Single : A 27 SER OG : rot -56:sc= 0.00827 USER MOD Single : A 32 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.18) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -147:sc= -1.44! (180deg=-2.89!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.046 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= -0.0045 (180deg=-0.0371) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 10.932 -2.548 18.176 1.00 99.99 N ATOM 2 CA ARG A 1 11.026 -1.624 19.288 1.00 0.00 C ATOM 3 C ARG A 1 12.411 -0.987 19.324 1.00 0.00 C ATOM 4 O ARG A 1 12.543 0.234 19.412 1.00 0.00 O ATOM 5 CB ARG A 1 10.922 -2.591 18.108 1.00 0.00 C ATOM 6 CG ARG A 1 11.229 -4.034 18.475 1.00 0.00 C ATOM 7 CD ARG A 1 12.201 -4.669 17.493 1.00 0.00 C ATOM 8 NE ARG A 1 12.935 -5.781 18.091 1.00 0.00 N ATOM 9 CZ ARG A 1 13.998 -6.354 17.531 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.454 -5.924 16.361 1.00 0.00 N ATOM 11 NH2 ARG A 1 14.608 -7.360 18.143 1.00 0.00 N ATOM 0 H2 ARG A 1 10.405 -2.102 17.398 1.00 99.99 H new ATOM 0 HA ARG A 1 10.582 -1.136 20.156 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.916 -2.537 17.692 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.608 -2.270 17.324 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.650 -4.072 19.480 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.303 -4.609 18.495 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.654 -5.024 16.620 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.907 -3.916 17.143 1.00 0.00 H new ATOM 0 HE ARG A 1 12.614 -6.140 18.990 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.989 -5.150 15.886 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.269 -6.367 15.937 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.263 -7.694 19.043 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.423 -7.799 17.714 1.00 0.00 H new ATOM 27 N ARG A 2 13.443 -1.823 19.254 1.00 0.00 N ATOM 28 CA ARG A 2 14.819 -1.343 19.279 1.00 0.00 C ATOM 29 C ARG A 2 15.165 -0.621 17.982 1.00 0.00 C ATOM 30 O ARG A 2 14.650 -0.956 16.916 1.00 0.00 O ATOM 31 CB ARG A 2 15.784 -2.510 19.500 1.00 0.00 C ATOM 32 CG ARG A 2 16.055 -2.806 20.967 1.00 0.00 C ATOM 33 CD ARG A 2 17.435 -2.325 21.388 1.00 0.00 C ATOM 34 NE ARG A 2 17.421 -1.706 22.711 1.00 0.00 N ATOM 35 CZ ARG A 2 17.018 -0.458 22.942 1.00 0.00 C ATOM 36 NH1 ARG A 2 16.589 0.304 21.944 1.00 0.00 N ATOM 37 NH2 ARG A 2 17.043 0.029 24.175 1.00 0.00 N ATOM 0 H ARG A 2 13.351 -2.836 19.180 1.00 0.00 H new ATOM 0 HA ARG A 2 14.918 -0.638 20.104 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.375 -3.403 19.027 1.00 0.00 H new ATOM 0 HB3 ARG A 2 16.728 -2.289 19.002 1.00 0.00 H new ATOM 0 HG2 ARG A 2 15.297 -2.322 21.583 1.00 0.00 H new ATOM 0 HG3 ARG A 2 15.973 -3.878 21.144 1.00 0.00 H new ATOM 0 HD2 ARG A 2 18.127 -3.167 21.390 1.00 0.00 H new ATOM 0 HD3 ARG A 2 17.807 -1.608 20.657 1.00 0.00 H new ATOM 0 HE ARG A 2 17.739 -2.262 23.505 1.00 0.00 H new ATOM 0 HH11 ARG A 2 16.567 -0.065 20.994 1.00 0.00 H new ATOM 0 HH12 ARG A 2 16.282 1.259 22.127 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.371 -0.552 24.946 1.00 0.00 H new ATOM 0 HH22 ARG A 2 16.734 0.985 24.352 1.00 0.00 H new ATOM 51 N ARG A 3 16.041 0.374 18.080 1.00 0.00 N ATOM 52 CA ARG A 3 16.456 1.145 16.914 1.00 0.00 C ATOM 53 C ARG A 3 17.977 1.202 16.812 1.00 0.00 C ATOM 54 O ARG A 3 18.685 0.621 17.634 1.00 0.00 O ATOM 55 CB ARG A 3 15.886 2.563 16.983 1.00 0.00 C ATOM 56 CG ARG A 3 14.420 2.610 17.389 1.00 0.00 C ATOM 57 CD ARG A 3 14.207 3.468 18.626 1.00 0.00 C ATOM 58 NE ARG A 3 12.847 3.995 18.699 1.00 0.00 N ATOM 59 CZ ARG A 3 12.492 5.027 19.462 1.00 0.00 C ATOM 60 NH1 ARG A 3 13.394 5.645 20.215 1.00 0.00 N ATOM 61 NH2 ARG A 3 11.233 5.444 19.471 1.00 0.00 N ATOM 0 H ARG A 3 16.477 0.665 18.955 1.00 0.00 H new ATOM 0 HA ARG A 3 16.068 0.647 16.025 1.00 0.00 H new ATOM 0 HB2 ARG A 3 16.470 3.147 17.694 1.00 0.00 H new ATOM 0 HB3 ARG A 3 16.000 3.040 16.009 1.00 0.00 H new ATOM 0 HG2 ARG A 3 13.827 3.006 16.565 1.00 0.00 H new ATOM 0 HG3 ARG A 3 14.063 1.598 17.582 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.415 2.876 19.518 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.917 4.295 18.620 1.00 0.00 H new ATOM 0 HE ARG A 3 12.127 3.546 18.133 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.364 5.330 20.211 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.117 6.435 20.798 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.536 4.974 18.893 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.962 6.235 20.056 1.00 0.00 H new ATOM 75 N HIS A 4 18.472 1.906 15.799 1.00 0.00 N ATOM 76 CA HIS A 4 19.910 2.039 15.591 1.00 0.00 C ATOM 77 C HIS A 4 20.364 3.476 15.827 1.00 0.00 C ATOM 78 O HIS A 4 21.278 3.965 15.164 1.00 0.00 O ATOM 79 CB HIS A 4 20.283 1.600 14.174 1.00 0.00 C ATOM 80 CG HIS A 4 19.756 0.248 13.807 1.00 0.00 C ATOM 81 ND1 HIS A 4 20.169 -0.915 14.425 1.00 0.00 N ATOM 82 CD2 HIS A 4 18.842 -0.126 12.880 1.00 0.00 C ATOM 83 CE1 HIS A 4 19.533 -1.943 13.894 1.00 0.00 C ATOM 84 NE2 HIS A 4 18.722 -1.492 12.955 1.00 0.00 N ATOM 0 H HIS A 4 17.899 2.393 15.110 1.00 0.00 H new ATOM 0 HA HIS A 4 20.417 1.395 16.309 1.00 0.00 H new ATOM 0 HB2 HIS A 4 19.903 2.334 13.463 1.00 0.00 H new ATOM 0 HB3 HIS A 4 21.369 1.596 14.078 1.00 0.00 H new ATOM 0 HD2 HIS A 4 18.307 0.528 12.207 1.00 0.00 H new ATOM 0 HE1 HIS A 4 19.655 -2.977 14.179 1.00 0.00 H new ATOM 0 HE2 HIS A 4 18.106 -2.065 12.379 1.00 0.00 H new ATOM 93 N ILE A 5 19.718 4.148 16.775 1.00 0.00 N ATOM 94 CA ILE A 5 20.055 5.528 17.098 1.00 0.00 C ATOM 95 C ILE A 5 19.888 5.801 18.589 1.00 0.00 C ATOM 96 O ILE A 5 18.768 5.889 19.093 1.00 0.00 O ATOM 97 CB ILE A 5 19.181 6.520 16.306 1.00 0.00 C ATOM 98 CG1 ILE A 5 17.706 6.126 16.404 1.00 0.00 C ATOM 99 CG2 ILE A 5 19.625 6.575 14.853 1.00 0.00 C ATOM 100 CD1 ILE A 5 16.777 7.307 16.595 1.00 0.00 C ATOM 0 H ILE A 5 18.958 3.758 17.333 1.00 0.00 H new ATOM 0 HA ILE A 5 21.099 5.671 16.820 1.00 0.00 H new ATOM 0 HB ILE A 5 19.302 7.513 16.740 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.420 5.591 15.498 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.577 5.434 17.236 1.00 0.00 H new ATOM 0 HG21 ILE A 5 18.998 7.280 14.307 1.00 0.00 H new ATOM 0 HG22 ILE A 5 20.664 6.899 14.802 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.532 5.585 14.406 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.748 6.954 16.656 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.037 7.829 17.516 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.877 7.989 15.751 1.00 0.00 H new ATOM 112 N VAL A 6 21.009 5.933 19.290 1.00 0.00 N ATOM 113 CA VAL A 6 20.988 6.196 20.723 1.00 0.00 C ATOM 114 C VAL A 6 21.813 7.434 21.065 1.00 0.00 C ATOM 115 O VAL A 6 22.547 7.455 22.054 1.00 0.00 O ATOM 116 CB VAL A 6 21.521 4.990 21.523 1.00 0.00 C ATOM 117 CG1 VAL A 6 22.983 4.726 21.191 1.00 0.00 C ATOM 118 CG2 VAL A 6 21.334 5.211 23.018 1.00 0.00 C ATOM 0 H VAL A 6 21.944 5.862 18.888 1.00 0.00 H new ATOM 0 HA VAL A 6 19.949 6.371 21.001 1.00 0.00 H new ATOM 0 HB VAL A 6 20.946 4.109 21.237 1.00 0.00 H new ATOM 0 HG11 VAL A 6 23.338 3.871 21.767 1.00 0.00 H new ATOM 0 HG12 VAL A 6 23.082 4.513 20.127 1.00 0.00 H new ATOM 0 HG13 VAL A 6 23.577 5.605 21.442 1.00 0.00 H new ATOM 0 HG21 VAL A 6 21.717 4.349 23.564 1.00 0.00 H new ATOM 0 HG22 VAL A 6 21.878 6.105 23.324 1.00 0.00 H new ATOM 0 HG23 VAL A 6 20.274 5.338 23.237 1.00 0.00 H new ATOM 128 N ARG A 7 21.689 8.466 20.238 1.00 0.00 N ATOM 129 CA ARG A 7 22.423 9.709 20.451 1.00 0.00 C ATOM 130 C ARG A 7 21.804 10.851 19.651 1.00 0.00 C ATOM 131 O ARG A 7 21.565 10.724 18.450 1.00 0.00 O ATOM 132 CB ARG A 7 23.890 9.531 20.056 1.00 0.00 C ATOM 133 CG ARG A 7 24.724 8.831 21.117 1.00 0.00 C ATOM 134 CD ARG A 7 26.209 9.082 20.914 1.00 0.00 C ATOM 135 NE ARG A 7 26.991 8.728 22.096 1.00 0.00 N ATOM 136 CZ ARG A 7 26.996 9.437 23.222 1.00 0.00 C ATOM 137 NH1 ARG A 7 26.265 10.539 23.324 1.00 0.00 N ATOM 138 NH2 ARG A 7 27.736 9.043 24.251 1.00 0.00 N ATOM 0 H ARG A 7 21.088 8.467 19.414 1.00 0.00 H new ATOM 0 HA ARG A 7 22.366 9.960 21.510 1.00 0.00 H new ATOM 0 HB2 ARG A 7 23.942 8.959 19.129 1.00 0.00 H new ATOM 0 HB3 ARG A 7 24.324 10.510 19.851 1.00 0.00 H new ATOM 0 HG2 ARG A 7 24.426 9.182 22.105 1.00 0.00 H new ATOM 0 HG3 ARG A 7 24.528 7.759 21.087 1.00 0.00 H new ATOM 0 HD2 ARG A 7 26.561 8.503 20.060 1.00 0.00 H new ATOM 0 HD3 ARG A 7 26.370 10.133 20.675 1.00 0.00 H new ATOM 0 HE ARG A 7 27.567 7.887 22.056 1.00 0.00 H new ATOM 0 HH11 ARG A 7 25.695 10.847 22.537 1.00 0.00 H new ATOM 0 HH12 ARG A 7 26.273 11.078 24.190 1.00 0.00 H new ATOM 0 HH21 ARG A 7 28.301 8.197 24.179 1.00 0.00 H new ATOM 0 HH22 ARG A 7 27.740 9.586 25.114 1.00 0.00 H new ATOM 152 N LYS A 8 21.546 11.967 20.325 1.00 0.00 N ATOM 153 CA LYS A 8 20.954 13.133 19.678 1.00 0.00 C ATOM 154 C LYS A 8 21.836 13.633 18.538 1.00 0.00 C ATOM 155 O LYS A 8 21.345 14.189 17.557 1.00 0.00 O ATOM 156 CB LYS A 8 20.729 14.251 20.700 1.00 0.00 C ATOM 157 CG LYS A 8 19.261 14.534 20.978 1.00 0.00 C ATOM 158 CD LYS A 8 18.808 13.903 22.285 1.00 0.00 C ATOM 159 CE LYS A 8 18.167 12.544 22.053 1.00 0.00 C ATOM 160 NZ LYS A 8 16.682 12.635 21.985 1.00 0.00 N ATOM 0 H LYS A 8 21.738 12.089 21.319 1.00 0.00 H new ATOM 0 HA LYS A 8 19.992 12.836 19.260 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.222 13.983 21.634 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.204 15.163 20.339 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.098 15.611 21.018 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.654 14.150 20.158 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.662 13.795 22.953 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.096 14.563 22.782 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.547 12.117 21.125 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.453 11.866 22.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.283 11.688 21.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.316 13.019 22.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.408 13.262 21.202 1.00 0.00 H new ATOM 174 N ARG A 9 23.145 13.436 18.676 1.00 0.00 N ATOM 175 CA ARG A 9 24.095 13.872 17.658 1.00 0.00 C ATOM 176 C ARG A 9 23.805 13.223 16.310 1.00 0.00 C ATOM 177 O ARG A 9 24.263 13.703 15.273 1.00 0.00 O ATOM 178 CB ARG A 9 25.526 13.551 18.093 1.00 0.00 C ATOM 179 CG ARG A 9 25.812 13.887 19.548 1.00 0.00 C ATOM 180 CD ARG A 9 25.951 12.632 20.395 1.00 0.00 C ATOM 181 NE ARG A 9 26.601 12.902 21.674 1.00 0.00 N ATOM 182 CZ ARG A 9 27.904 13.137 21.810 1.00 0.00 C ATOM 183 NH1 ARG A 9 28.700 13.137 20.748 1.00 0.00 N ATOM 184 NH2 ARG A 9 28.414 13.374 23.012 1.00 0.00 N ATOM 0 H ARG A 9 23.571 12.978 19.482 1.00 0.00 H new ATOM 0 HA ARG A 9 23.986 14.951 17.545 1.00 0.00 H new ATOM 0 HB2 ARG A 9 25.717 12.490 17.930 1.00 0.00 H new ATOM 0 HB3 ARG A 9 26.221 14.101 17.459 1.00 0.00 H new ATOM 0 HG2 ARG A 9 26.728 14.474 19.613 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.007 14.507 19.944 1.00 0.00 H new ATOM 0 HD2 ARG A 9 24.964 12.204 20.573 1.00 0.00 H new ATOM 0 HD3 ARG A 9 26.527 11.887 19.846 1.00 0.00 H new ATOM 0 HE ARG A 9 26.022 12.911 22.514 1.00 0.00 H new ATOM 0 HH11 ARG A 9 28.314 12.956 19.821 1.00 0.00 H new ATOM 0 HH12 ARG A 9 29.698 13.318 20.858 1.00 0.00 H new ATOM 0 HH21 ARG A 9 27.807 13.376 23.832 1.00 0.00 H new ATOM 0 HH22 ARG A 9 29.413 13.554 23.116 1.00 0.00 H new ATOM 198 N THR A 10 23.046 12.134 16.322 1.00 0.00 N ATOM 199 CA THR A 10 22.708 11.438 15.092 1.00 0.00 C ATOM 200 C THR A 10 21.569 12.134 14.358 1.00 0.00 C ATOM 201 O THR A 10 21.385 11.935 13.157 1.00 0.00 O ATOM 202 CB THR A 10 22.322 9.995 15.380 1.00 0.00 C ATOM 203 OG1 THR A 10 23.343 9.331 16.103 1.00 0.00 O ATOM 204 CG2 THR A 10 22.055 9.207 14.121 1.00 0.00 C ATOM 0 H THR A 10 22.656 11.717 17.167 1.00 0.00 H new ATOM 0 HA THR A 10 23.592 11.453 14.455 1.00 0.00 H new ATOM 0 HB THR A 10 21.406 10.044 15.969 1.00 0.00 H new ATOM 0 HG1 THR A 10 23.071 8.406 16.278 1.00 0.00 H new ATOM 0 HG21 THR A 10 21.784 8.184 14.383 1.00 0.00 H new ATOM 0 HG22 THR A 10 21.237 9.670 13.569 1.00 0.00 H new ATOM 0 HG23 THR A 10 22.951 9.197 13.501 1.00 0.00 H new ATOM 212 N LEU A 11 20.808 12.957 15.074 1.00 0.00 N ATOM 213 CA LEU A 11 19.697 13.683 14.468 1.00 0.00 C ATOM 214 C LEU A 11 20.157 14.415 13.208 1.00 0.00 C ATOM 215 O LEU A 11 19.351 14.749 12.339 1.00 0.00 O ATOM 216 CB LEU A 11 19.102 14.679 15.467 1.00 0.00 C ATOM 217 CG LEU A 11 18.007 14.109 16.374 1.00 0.00 C ATOM 218 CD1 LEU A 11 18.478 12.827 17.042 1.00 0.00 C ATOM 219 CD2 LEU A 11 17.596 15.135 17.418 1.00 0.00 C ATOM 0 H LEU A 11 20.939 13.137 16.069 1.00 0.00 H new ATOM 0 HA LEU A 11 18.928 12.962 14.190 1.00 0.00 H new ATOM 0 HB2 LEU A 11 19.906 15.067 16.093 1.00 0.00 H new ATOM 0 HB3 LEU A 11 18.692 15.524 14.914 1.00 0.00 H new ATOM 0 HG LEU A 11 17.138 13.874 15.759 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.686 12.438 17.682 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.724 12.088 16.279 1.00 0.00 H new ATOM 0 HD13 LEU A 11 19.362 13.034 17.645 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.817 14.715 18.054 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.460 15.399 18.028 1.00 0.00 H new ATOM 0 HD23 LEU A 11 17.216 16.028 16.921 1.00 0.00 H new ATOM 231 N ARG A 12 21.464 14.649 13.116 1.00 0.00 N ATOM 232 CA ARG A 12 22.049 15.325 11.969 1.00 0.00 C ATOM 233 C ARG A 12 21.979 14.448 10.719 1.00 0.00 C ATOM 234 O ARG A 12 22.139 14.937 9.600 1.00 0.00 O ATOM 235 CB ARG A 12 23.504 15.691 12.269 1.00 0.00 C ATOM 236 CG ARG A 12 23.721 17.174 12.521 1.00 0.00 C ATOM 237 CD ARG A 12 25.058 17.643 11.970 1.00 0.00 C ATOM 238 NE ARG A 12 25.790 18.465 12.931 1.00 0.00 N ATOM 239 CZ ARG A 12 27.096 18.706 12.857 1.00 0.00 C ATOM 240 NH1 ARG A 12 27.818 18.191 11.869 1.00 0.00 N ATOM 241 NH2 ARG A 12 27.684 19.465 13.772 1.00 0.00 N ATOM 0 H ARG A 12 22.140 14.377 13.830 1.00 0.00 H new ATOM 0 HA ARG A 12 21.477 16.234 11.779 1.00 0.00 H new ATOM 0 HB2 ARG A 12 23.838 15.130 13.142 1.00 0.00 H new ATOM 0 HB3 ARG A 12 24.128 15.379 11.432 1.00 0.00 H new ATOM 0 HG2 ARG A 12 22.915 17.744 12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 12 23.678 17.372 13.592 1.00 0.00 H new ATOM 0 HD2 ARG A 12 25.662 16.777 11.700 1.00 0.00 H new ATOM 0 HD3 ARG A 12 24.893 18.214 11.056 1.00 0.00 H new ATOM 0 HE ARG A 12 25.269 18.878 13.704 1.00 0.00 H new ATOM 0 HH11 ARG A 12 27.372 17.607 11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 12 28.819 18.379 11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 12 27.135 19.864 14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 12 28.686 19.649 13.715 1.00 0.00 H new ATOM 255 N ARG A 13 21.739 13.155 10.913 1.00 0.00 N ATOM 256 CA ARG A 13 21.648 12.222 9.797 1.00 0.00 C ATOM 257 C ARG A 13 20.337 12.409 9.041 1.00 0.00 C ATOM 258 O ARG A 13 20.290 12.327 7.815 1.00 0.00 O ATOM 259 CB ARG A 13 21.759 10.780 10.298 1.00 0.00 C ATOM 260 CG ARG A 13 23.192 10.305 10.471 1.00 0.00 C ATOM 261 CD ARG A 13 23.634 9.430 9.309 1.00 0.00 C ATOM 262 NE ARG A 13 25.018 9.692 8.923 1.00 0.00 N ATOM 263 CZ ARG A 13 26.071 9.331 9.651 1.00 0.00 C ATOM 264 NH1 ARG A 13 25.904 8.694 10.804 1.00 0.00 N ATOM 265 NH2 ARG A 13 27.297 9.607 9.226 1.00 0.00 N ATOM 0 H ARG A 13 21.604 12.731 11.831 1.00 0.00 H new ATOM 0 HA ARG A 13 22.474 12.426 9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 13 21.239 10.695 11.252 1.00 0.00 H new ATOM 0 HB3 ARG A 13 21.248 10.120 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 13 23.855 11.167 10.551 1.00 0.00 H new ATOM 0 HG3 ARG A 13 23.281 9.746 11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 13 23.527 8.381 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 13 22.980 9.604 8.455 1.00 0.00 H new ATOM 0 HE ARG A 13 25.187 10.180 8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 13 24.964 8.479 11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 13 26.716 8.420 11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 13 27.432 10.096 8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 13 28.105 9.330 9.784 1.00 0.00 H new ATOM 279 N LEU A 14 19.273 12.664 9.785 1.00 0.00 N ATOM 280 CA LEU A 14 17.960 12.866 9.190 1.00 0.00 C ATOM 281 C LEU A 14 17.916 14.160 8.380 1.00 0.00 C ATOM 282 O LEU A 14 17.426 14.180 7.252 1.00 0.00 O ATOM 283 CB LEU A 14 16.882 12.891 10.277 1.00 0.00 C ATOM 284 CG LEU A 14 16.112 11.580 10.456 1.00 0.00 C ATOM 285 CD1 LEU A 14 16.643 10.806 11.652 1.00 0.00 C ATOM 286 CD2 LEU A 14 14.623 11.853 10.615 1.00 0.00 C ATOM 0 H LEU A 14 19.292 12.736 10.802 1.00 0.00 H new ATOM 0 HA LEU A 14 17.766 12.033 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.350 13.152 11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.171 13.683 10.044 1.00 0.00 H new ATOM 0 HG LEU A 14 16.257 10.972 9.563 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.083 9.878 11.762 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.698 10.577 11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.530 11.407 12.554 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.092 10.910 10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.460 12.481 11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 14 14.250 12.364 9.727 1.00 0.00 H new ATOM 298 N LEU A 15 18.396 15.245 8.979 1.00 0.00 N ATOM 299 CA LEU A 15 18.377 16.554 8.331 1.00 0.00 C ATOM 300 C LEU A 15 19.456 16.717 7.253 1.00 0.00 C ATOM 301 O LEU A 15 19.139 16.997 6.098 1.00 0.00 O ATOM 302 CB LEU A 15 18.519 17.666 9.375 1.00 0.00 C ATOM 303 CG LEU A 15 19.676 17.498 10.366 1.00 0.00 C ATOM 304 CD1 LEU A 15 20.822 18.433 10.012 1.00 0.00 C ATOM 305 CD2 LEU A 15 19.201 17.753 11.789 1.00 0.00 C ATOM 0 H LEU A 15 18.804 15.245 9.914 1.00 0.00 H new ATOM 0 HA LEU A 15 17.413 16.630 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.645 18.615 8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.588 17.732 9.938 1.00 0.00 H new ATOM 0 HG LEU A 15 20.037 16.471 10.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 21.634 18.300 10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.181 18.205 9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.474 19.465 10.047 1.00 0.00 H new ATOM 0 HD21 LEU A 15 20.036 17.629 12.479 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.814 18.769 11.867 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.413 17.044 12.042 1.00 0.00 H new ATOM 317 N GLN A 16 20.728 16.598 7.632 1.00 0.00 N ATOM 318 CA GLN A 16 21.829 16.796 6.685 1.00 0.00 C ATOM 319 C GLN A 16 22.156 15.557 5.850 1.00 0.00 C ATOM 320 O GLN A 16 22.534 15.680 4.685 1.00 0.00 O ATOM 321 CB GLN A 16 23.081 17.252 7.438 1.00 0.00 C ATOM 322 CG GLN A 16 23.381 18.733 7.275 1.00 0.00 C ATOM 323 CD GLN A 16 24.833 19.068 7.559 1.00 0.00 C ATOM 324 OE1 GLN A 16 25.724 18.731 6.780 1.00 0.00 O ATOM 325 NE2 GLN A 16 25.077 19.736 8.682 1.00 0.00 N ATOM 0 H GLN A 16 21.022 16.367 8.581 1.00 0.00 H new ATOM 0 HA GLN A 16 21.497 17.562 5.984 1.00 0.00 H new ATOM 0 HB2 GLN A 16 22.959 17.029 8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 16 23.937 16.675 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 16 23.133 19.041 6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 16 22.742 19.306 7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 16 24.307 19.995 9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 16 26.034 19.989 8.927 1.00 0.00 H new ATOM 334 N GLU A 17 22.029 14.370 6.431 1.00 0.00 N ATOM 335 CA GLU A 17 22.339 13.143 5.697 1.00 0.00 C ATOM 336 C GLU A 17 21.114 12.586 4.973 1.00 0.00 C ATOM 337 O GLU A 17 21.107 11.427 4.558 1.00 0.00 O ATOM 338 CB GLU A 17 22.934 12.083 6.627 1.00 0.00 C ATOM 339 CG GLU A 17 24.175 12.554 7.369 1.00 0.00 C ATOM 340 CD GLU A 17 25.431 12.455 6.525 1.00 0.00 C ATOM 341 OE1 GLU A 17 25.364 12.776 5.320 1.00 0.00 O ATOM 342 OE2 GLU A 17 26.482 12.056 7.071 1.00 0.00 O ATOM 0 H GLU A 17 21.719 14.228 7.392 1.00 0.00 H new ATOM 0 HA GLU A 17 23.081 13.402 4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 17 22.178 11.783 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 17 23.184 11.198 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.035 13.588 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 17 24.301 11.959 8.273 1.00 0.00 H new ATOM 349 N ARG A 18 20.082 13.411 4.820 1.00 0.00 N ATOM 350 CA ARG A 18 18.864 12.987 4.138 1.00 0.00 C ATOM 351 C ARG A 18 19.169 12.528 2.713 1.00 0.00 C ATOM 352 O ARG A 18 18.462 11.687 2.158 1.00 0.00 O ATOM 353 CB ARG A 18 17.846 14.129 4.106 1.00 0.00 C ATOM 354 CG ARG A 18 18.292 15.324 3.279 1.00 0.00 C ATOM 355 CD ARG A 18 17.215 16.395 3.224 1.00 0.00 C ATOM 356 NE ARG A 18 16.660 16.682 4.544 1.00 0.00 N ATOM 357 CZ ARG A 18 15.495 17.295 4.743 1.00 0.00 C ATOM 358 NH1 ARG A 18 14.759 17.686 3.710 1.00 0.00 N ATOM 359 NH2 ARG A 18 15.064 17.517 5.977 1.00 0.00 N ATOM 0 H ARG A 18 20.065 14.373 5.158 1.00 0.00 H new ATOM 0 HA ARG A 18 18.443 12.148 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 18 16.904 13.753 3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 18 17.650 14.458 5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.203 15.744 3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.535 14.998 2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.633 17.308 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.416 16.071 2.557 1.00 0.00 H new ATOM 0 HE ARG A 18 17.197 16.396 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.085 17.517 2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.867 18.155 3.868 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.625 17.218 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.171 17.987 6.129 1.00 0.00 H new ATOM 373 N GLU A 19 20.223 13.089 2.128 1.00 0.00 N ATOM 374 CA GLU A 19 20.622 12.743 0.768 1.00 0.00 C ATOM 375 C GLU A 19 20.817 11.236 0.609 1.00 0.00 C ATOM 376 O GLU A 19 20.721 10.703 -0.497 1.00 0.00 O ATOM 377 CB GLU A 19 21.912 13.475 0.392 1.00 0.00 C ATOM 378 CG GLU A 19 22.987 13.404 1.466 1.00 0.00 C ATOM 379 CD GLU A 19 24.301 12.859 0.943 1.00 0.00 C ATOM 380 OE1 GLU A 19 24.546 12.967 -0.278 1.00 0.00 O ATOM 381 OE2 GLU A 19 25.087 12.325 1.753 1.00 0.00 O ATOM 0 H GLU A 19 20.817 13.787 2.576 1.00 0.00 H new ATOM 0 HA GLU A 19 19.820 13.054 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.305 13.051 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.681 14.521 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.150 14.400 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 19 22.637 12.774 2.284 1.00 0.00 H new ATOM 388 N LEU A 20 21.095 10.553 1.717 1.00 0.00 N ATOM 389 CA LEU A 20 21.305 9.107 1.692 1.00 0.00 C ATOM 390 C LEU A 20 20.155 8.398 0.981 1.00 0.00 C ATOM 391 O LEU A 20 20.350 7.760 -0.053 1.00 0.00 O ATOM 392 CB LEU A 20 21.453 8.566 3.117 1.00 0.00 C ATOM 393 CG LEU A 20 22.874 8.153 3.506 1.00 0.00 C ATOM 394 CD1 LEU A 20 23.843 9.304 3.289 1.00 0.00 C ATOM 395 CD2 LEU A 20 22.913 7.684 4.953 1.00 0.00 C ATOM 0 H LEU A 20 21.180 10.976 2.641 1.00 0.00 H new ATOM 0 HA LEU A 20 22.223 8.910 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 20 21.107 9.327 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.795 7.704 3.233 1.00 0.00 H new ATOM 0 HG LEU A 20 23.180 7.324 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 20 24.848 8.991 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 20 23.835 9.594 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 20 23.542 10.154 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 20 23.931 7.394 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.587 8.493 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.249 6.829 5.076 1.00 0.00 H new ATOM 407 N VAL A 21 18.956 8.516 1.542 1.00 0.00 N ATOM 408 CA VAL A 21 17.777 7.887 0.958 1.00 0.00 C ATOM 409 C VAL A 21 17.347 8.603 -0.320 1.00 0.00 C ATOM 410 O VAL A 21 16.713 8.010 -1.192 1.00 0.00 O ATOM 411 CB VAL A 21 16.598 7.869 1.953 1.00 0.00 C ATOM 412 CG1 VAL A 21 16.198 9.284 2.340 1.00 0.00 C ATOM 413 CG2 VAL A 21 15.415 7.113 1.365 1.00 0.00 C ATOM 0 H VAL A 21 18.775 9.040 2.398 1.00 0.00 H new ATOM 0 HA VAL A 21 18.051 6.860 0.717 1.00 0.00 H new ATOM 0 HB VAL A 21 16.919 7.351 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.365 9.247 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.045 9.787 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.897 9.834 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.593 7.111 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.093 7.600 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.711 6.086 1.148 1.00 0.00 H new ATOM 423 N GLU A 22 17.694 9.885 -0.421 1.00 0.00 N ATOM 424 CA GLU A 22 17.346 10.690 -1.586 1.00 0.00 C ATOM 425 C GLU A 22 15.840 10.918 -1.642 1.00 0.00 C ATOM 426 O GLU A 22 15.168 10.482 -2.575 1.00 0.00 O ATOM 427 CB GLU A 22 17.832 10.020 -2.876 1.00 0.00 C ATOM 428 CG GLU A 22 19.140 10.592 -3.399 1.00 0.00 C ATOM 429 CD GLU A 22 18.931 11.612 -4.502 1.00 0.00 C ATOM 430 OE1 GLU A 22 18.571 11.205 -5.626 1.00 0.00 O ATOM 431 OE2 GLU A 22 19.130 12.817 -4.241 1.00 0.00 O ATOM 0 H GLU A 22 18.218 10.389 0.295 1.00 0.00 H new ATOM 0 HA GLU A 22 17.843 11.656 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 22 17.957 8.952 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.065 10.127 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.683 11.058 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.763 9.780 -3.773 1.00 0.00 H new ATOM 438 N PRO A 23 15.290 11.604 -0.626 1.00 0.00 N ATOM 439 CA PRO A 23 13.861 11.882 -0.550 1.00 0.00 C ATOM 440 C PRO A 23 13.460 13.121 -1.349 1.00 0.00 C ATOM 441 O PRO A 23 12.761 13.997 -0.840 1.00 0.00 O ATOM 442 CB PRO A 23 13.645 12.113 0.941 1.00 0.00 C ATOM 443 CG PRO A 23 14.927 12.710 1.417 1.00 0.00 C ATOM 444 CD PRO A 23 16.018 12.149 0.537 1.00 0.00 C ATOM 0 HA PRO A 23 13.260 11.076 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.804 12.783 1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.425 11.180 1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.896 13.798 1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.106 12.460 2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 23 16.727 12.921 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 23 16.587 11.374 1.051 1.00 0.00 H new ATOM 452 N LEU A 24 13.902 13.186 -2.602 1.00 0.00 N ATOM 453 CA LEU A 24 13.581 14.321 -3.465 1.00 0.00 C ATOM 454 C LEU A 24 13.167 13.854 -4.858 1.00 0.00 C ATOM 455 O LEU A 24 13.209 14.626 -5.819 1.00 0.00 O ATOM 456 CB LEU A 24 14.772 15.285 -3.572 1.00 0.00 C ATOM 457 CG LEU A 24 16.155 14.683 -3.291 1.00 0.00 C ATOM 458 CD1 LEU A 24 16.318 14.367 -1.811 1.00 0.00 C ATOM 459 CD2 LEU A 24 16.388 13.439 -4.139 1.00 0.00 C ATOM 0 H LEU A 24 14.481 12.470 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 24 12.742 14.848 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.780 15.710 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.609 16.110 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 24 16.907 15.424 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.306 13.941 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.209 15.282 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.555 13.651 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 24 17.375 13.030 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.628 12.693 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 24 16.328 13.702 -5.195 1.00 0.00 H new ATOM 471 N THR A 25 12.769 12.591 -4.966 1.00 0.00 N ATOM 472 CA THR A 25 12.351 12.031 -6.244 1.00 0.00 C ATOM 473 C THR A 25 10.839 11.816 -6.277 1.00 0.00 C ATOM 474 O THR A 25 10.334 10.835 -5.732 1.00 0.00 O ATOM 475 CB THR A 25 13.072 10.707 -6.501 1.00 0.00 C ATOM 476 OG1 THR A 25 12.528 9.675 -5.696 1.00 0.00 O ATOM 477 CG2 THR A 25 14.559 10.771 -6.223 1.00 0.00 C ATOM 0 H THR A 25 12.727 11.937 -4.184 1.00 0.00 H new ATOM 0 HA THR A 25 12.615 12.740 -7.028 1.00 0.00 H new ATOM 0 HB THR A 25 12.926 10.500 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.750 10.017 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 25 15.009 9.799 -6.425 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.017 11.524 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.723 11.036 -5.179 1.00 0.00 H new ATOM 485 N PRO A 26 10.090 12.734 -6.917 1.00 0.00 N ATOM 486 CA PRO A 26 8.630 12.631 -7.012 1.00 0.00 C ATOM 487 C PRO A 26 8.187 11.426 -7.834 1.00 0.00 C ATOM 488 O PRO A 26 7.084 10.910 -7.652 1.00 0.00 O ATOM 489 CB PRO A 26 8.217 13.934 -7.704 1.00 0.00 C ATOM 490 CG PRO A 26 9.436 14.381 -8.435 1.00 0.00 C ATOM 491 CD PRO A 26 10.602 13.938 -7.598 1.00 0.00 C ATOM 0 HA PRO A 26 8.170 12.493 -6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.383 13.772 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.894 14.681 -6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.479 13.939 -9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.438 15.463 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.475 13.713 -8.211 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.902 14.707 -6.886 1.00 0.00 H new ATOM 499 N SER A 27 9.055 10.979 -8.736 1.00 0.00 N ATOM 500 CA SER A 27 8.753 9.833 -9.585 1.00 0.00 C ATOM 501 C SER A 27 9.563 8.611 -9.159 1.00 0.00 C ATOM 502 O SER A 27 10.116 7.896 -9.996 1.00 0.00 O ATOM 503 CB SER A 27 9.040 10.167 -11.050 1.00 0.00 C ATOM 504 OG SER A 27 8.344 9.293 -11.921 1.00 0.00 O ATOM 0 H SER A 27 9.973 11.393 -8.898 1.00 0.00 H new ATOM 0 HA SER A 27 7.694 9.600 -9.475 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.748 11.197 -11.255 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.111 10.096 -11.239 1.00 0.00 H new ATOM 0 HG SER A 27 8.576 8.365 -11.707 1.00 0.00 H new ATOM 510 N GLY A 28 9.628 8.378 -7.853 1.00 0.00 N ATOM 511 CA GLY A 28 10.372 7.243 -7.339 1.00 0.00 C ATOM 512 C GLY A 28 9.589 6.457 -6.304 1.00 0.00 C ATOM 513 O GLY A 28 10.169 5.887 -5.379 1.00 0.00 O ATOM 0 H GLY A 28 9.179 8.954 -7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.640 6.584 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.304 7.594 -6.896 1.00 0.00 H new ATOM 517 N GLU A 29 8.270 6.427 -6.461 1.00 0.00 N ATOM 518 CA GLU A 29 7.406 5.707 -5.533 1.00 0.00 C ATOM 519 C GLU A 29 7.546 6.259 -4.118 1.00 0.00 C ATOM 520 O GLU A 29 7.402 5.529 -3.137 1.00 0.00 O ATOM 521 CB GLU A 29 7.741 4.214 -5.545 1.00 0.00 C ATOM 522 CG GLU A 29 7.535 3.555 -6.900 1.00 0.00 C ATOM 523 CD GLU A 29 8.835 3.357 -7.654 1.00 0.00 C ATOM 524 OE1 GLU A 29 9.595 2.434 -7.296 1.00 0.00 O ATOM 525 OE2 GLU A 29 9.092 4.126 -8.606 1.00 0.00 O ATOM 0 H GLU A 29 7.776 6.893 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 29 6.374 5.844 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.779 4.080 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.123 3.705 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.049 2.589 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.861 4.167 -7.499 1.00 0.00 H new ATOM 532 N ALA A 30 7.829 7.554 -4.020 1.00 0.00 N ATOM 533 CA ALA A 30 7.989 8.207 -2.727 1.00 0.00 C ATOM 534 C ALA A 30 6.676 8.219 -1.951 1.00 0.00 C ATOM 535 O ALA A 30 5.610 7.973 -2.515 1.00 0.00 O ATOM 536 CB ALA A 30 8.507 9.626 -2.915 1.00 0.00 C ATOM 0 H ALA A 30 7.952 8.172 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 30 8.717 7.639 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.622 10.103 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.472 9.597 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.798 10.195 -3.517 1.00 0.00 H new ATOM 542 N PRO A 31 6.734 8.507 -0.638 1.00 0.00 N ATOM 543 CA PRO A 31 5.541 8.550 0.214 1.00 0.00 C ATOM 544 C PRO A 31 4.609 9.699 -0.157 1.00 0.00 C ATOM 545 O PRO A 31 3.396 9.520 -0.250 1.00 0.00 O ATOM 546 CB PRO A 31 6.110 8.756 1.621 1.00 0.00 C ATOM 547 CG PRO A 31 7.444 9.383 1.406 1.00 0.00 C ATOM 548 CD PRO A 31 7.964 8.814 0.115 1.00 0.00 C ATOM 0 HA PRO A 31 4.938 7.648 0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.463 9.398 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.199 7.809 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.361 10.468 1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.119 9.158 2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.593 9.529 -0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.567 7.922 0.282 1.00 0.00 H new ATOM 556 N ASN A 32 5.186 10.882 -0.354 1.00 0.00 N ATOM 557 CA ASN A 32 4.417 12.074 -0.707 1.00 0.00 C ATOM 558 C ASN A 32 3.357 11.775 -1.766 1.00 0.00 C ATOM 559 O ASN A 32 2.234 12.274 -1.688 1.00 0.00 O ATOM 560 CB ASN A 32 5.351 13.173 -1.210 1.00 0.00 C ATOM 561 CG ASN A 32 6.490 13.452 -0.249 1.00 0.00 C ATOM 562 OD1 ASN A 32 6.320 14.159 0.745 1.00 0.00 O ATOM 563 ND2 ASN A 32 7.660 12.897 -0.542 1.00 0.00 N ATOM 0 H ASN A 32 6.190 11.042 -0.275 1.00 0.00 H new ATOM 0 HA ASN A 32 3.905 12.411 0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.760 12.883 -2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.779 14.088 -1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.464 13.049 0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.755 12.318 -1.376 1.00 0.00 H new ATOM 570 N GLN A 33 3.716 10.961 -2.755 1.00 0.00 N ATOM 571 CA GLN A 33 2.782 10.609 -3.820 1.00 0.00 C ATOM 572 C GLN A 33 1.801 9.537 -3.358 1.00 0.00 C ATOM 573 O GLN A 33 0.695 9.427 -3.886 1.00 0.00 O ATOM 574 CB GLN A 33 3.522 10.127 -5.063 1.00 0.00 C ATOM 575 CG GLN A 33 4.749 10.955 -5.407 1.00 0.00 C ATOM 576 CD GLN A 33 4.394 12.286 -6.041 1.00 0.00 C ATOM 577 OE1 GLN A 33 4.357 13.317 -5.370 1.00 0.00 O ATOM 578 NE2 GLN A 33 4.128 12.269 -7.343 1.00 0.00 N ATOM 0 H GLN A 33 4.639 10.536 -2.841 1.00 0.00 H new ATOM 0 HA GLN A 33 2.224 11.511 -4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.825 9.090 -4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.837 10.141 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.330 11.131 -4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.385 10.390 -6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.171 11.391 -7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.881 13.134 -7.824 1.00 0.00 H new ATOM 587 N ALA A 34 2.201 8.761 -2.356 1.00 0.00 N ATOM 588 CA ALA A 34 1.348 7.721 -1.814 1.00 0.00 C ATOM 589 C ALA A 34 0.151 8.365 -1.145 1.00 0.00 C ATOM 590 O ALA A 34 -0.992 8.118 -1.520 1.00 0.00 O ATOM 591 CB ALA A 34 2.119 6.853 -0.829 1.00 0.00 C ATOM 0 H ALA A 34 3.113 8.837 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 34 1.004 7.075 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.461 6.079 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.963 6.387 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.486 7.471 -0.009 1.00 0.00 H new ATOM 597 N LEU A 35 0.425 9.236 -0.180 1.00 0.00 N ATOM 598 CA LEU A 35 -0.639 9.955 0.503 1.00 0.00 C ATOM 599 C LEU A 35 -1.405 10.777 -0.520 1.00 0.00 C ATOM 600 O LEU A 35 -2.615 10.972 -0.409 1.00 0.00 O ATOM 601 CB LEU A 35 -0.086 10.873 1.599 1.00 0.00 C ATOM 602 CG LEU A 35 1.240 10.433 2.217 1.00 0.00 C ATOM 603 CD1 LEU A 35 2.380 11.269 1.663 1.00 0.00 C ATOM 604 CD2 LEU A 35 1.187 10.534 3.735 1.00 0.00 C ATOM 0 H LEU A 35 1.366 9.459 0.143 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.298 9.231 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.041 11.872 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.829 10.951 2.393 1.00 0.00 H new ATOM 0 HG LEU A 35 1.415 9.390 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.320 10.946 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.432 11.143 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.208 12.319 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.141 10.216 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.990 11.566 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.392 9.892 4.115 1.00 0.00 H new ATOM 616 N LEU A 36 -0.674 11.251 -1.528 1.00 0.00 N ATOM 617 CA LEU A 36 -1.260 12.048 -2.588 1.00 0.00 C ATOM 618 C LEU A 36 -2.277 11.229 -3.383 1.00 0.00 C ATOM 619 O LEU A 36 -3.414 11.646 -3.545 1.00 0.00 O ATOM 620 CB LEU A 36 -0.168 12.614 -3.507 1.00 0.00 C ATOM 621 CG LEU A 36 0.200 14.080 -3.256 1.00 0.00 C ATOM 622 CD1 LEU A 36 -0.840 15.006 -3.866 1.00 0.00 C ATOM 623 CD2 LEU A 36 0.352 14.353 -1.765 1.00 0.00 C ATOM 0 H LEU A 36 0.329 11.092 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.787 12.887 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.730 12.006 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.496 12.510 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 36 1.158 14.276 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.560 16.042 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.893 14.835 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.813 14.805 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.613 15.400 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.588 14.136 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.139 13.719 -1.357 1.00 0.00 H new ATOM 635 N ARG A 37 -1.885 10.060 -3.877 1.00 0.00 N ATOM 636 CA ARG A 37 -2.807 9.236 -4.643 1.00 0.00 C ATOM 637 C ARG A 37 -3.902 8.669 -3.762 1.00 0.00 C ATOM 638 O ARG A 37 -5.018 8.462 -4.227 1.00 0.00 O ATOM 639 CB ARG A 37 -2.057 8.108 -5.352 1.00 0.00 C ATOM 640 CG ARG A 37 -1.428 7.102 -4.402 1.00 0.00 C ATOM 641 CD ARG A 37 -1.407 5.704 -5.000 1.00 0.00 C ATOM 642 NE ARG A 37 -1.799 4.687 -4.027 1.00 0.00 N ATOM 643 CZ ARG A 37 -2.131 3.439 -4.351 1.00 0.00 C ATOM 644 NH1 ARG A 37 -2.120 3.051 -5.621 1.00 0.00 N ATOM 645 NH2 ARG A 37 -2.476 2.577 -3.404 1.00 0.00 N ATOM 0 H ARG A 37 -0.950 9.668 -3.763 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.276 9.872 -5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.746 7.586 -6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.277 8.540 -5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.410 7.412 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.984 7.089 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.081 5.666 -5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.406 5.484 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.820 4.949 -3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.856 3.710 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.375 2.094 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.487 2.870 -2.427 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.730 1.621 -3.653 1.00 0.00 H new ATOM 659 N ILE A 38 -3.610 8.445 -2.491 1.00 0.00 N ATOM 660 CA ILE A 38 -4.625 7.926 -1.586 1.00 0.00 C ATOM 661 C ILE A 38 -5.644 9.004 -1.270 1.00 0.00 C ATOM 662 O ILE A 38 -6.848 8.797 -1.395 1.00 0.00 O ATOM 663 CB ILE A 38 -4.008 7.418 -0.274 1.00 0.00 C ATOM 664 CG1 ILE A 38 -2.890 6.431 -0.587 1.00 0.00 C ATOM 665 CG2 ILE A 38 -5.071 6.768 0.601 1.00 0.00 C ATOM 666 CD1 ILE A 38 -1.789 6.410 0.451 1.00 0.00 C ATOM 0 H ILE A 38 -2.697 8.610 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.111 7.088 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.592 8.262 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.314 5.431 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.459 6.680 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.615 6.414 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.846 7.498 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.514 5.926 0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.029 5.684 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.337 7.399 0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.206 6.131 1.418 1.00 0.00 H new ATOM 678 N LEU A 39 -5.152 10.162 -0.871 1.00 0.00 N ATOM 679 CA LEU A 39 -6.018 11.277 -0.544 1.00 0.00 C ATOM 680 C LEU A 39 -6.951 11.605 -1.707 1.00 0.00 C ATOM 681 O LEU A 39 -8.030 12.151 -1.500 1.00 0.00 O ATOM 682 CB LEU A 39 -5.184 12.506 -0.180 1.00 0.00 C ATOM 683 CG LEU A 39 -5.919 13.563 0.644 1.00 0.00 C ATOM 684 CD1 LEU A 39 -4.925 14.434 1.399 1.00 0.00 C ATOM 685 CD2 LEU A 39 -6.809 14.413 -0.253 1.00 0.00 C ATOM 0 H LEU A 39 -4.156 10.354 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.627 10.992 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.306 12.179 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.825 12.968 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.552 13.057 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.465 15.181 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.332 13.812 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.266 14.933 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.325 15.160 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.197 14.912 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.543 13.776 -0.747 1.00 0.00 H new ATOM 697 N LYS A 40 -6.532 11.289 -2.932 1.00 0.00 N ATOM 698 CA LYS A 40 -7.348 11.576 -4.108 1.00 0.00 C ATOM 699 C LYS A 40 -8.106 10.348 -4.603 1.00 0.00 C ATOM 700 O LYS A 40 -9.272 10.444 -4.987 1.00 0.00 O ATOM 701 CB LYS A 40 -6.472 12.131 -5.228 1.00 0.00 C ATOM 702 CG LYS A 40 -6.021 13.562 -4.991 1.00 0.00 C ATOM 703 CD LYS A 40 -5.092 13.668 -3.788 1.00 0.00 C ATOM 704 CE LYS A 40 -3.692 14.088 -4.204 1.00 0.00 C ATOM 705 NZ LYS A 40 -3.625 15.531 -4.566 1.00 0.00 N ATOM 0 H LYS A 40 -5.640 10.838 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.089 12.319 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.594 11.495 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.023 12.083 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.510 13.934 -5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.893 14.197 -4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.494 14.391 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.048 12.707 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.996 13.886 -3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.371 13.486 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.921 15.668 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.557 15.848 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.350 16.086 -3.731 1.00 0.00 H new ATOM 719 N GLU A 41 -7.440 9.197 -4.607 1.00 0.00 N ATOM 720 CA GLU A 41 -8.073 7.966 -5.076 1.00 0.00 C ATOM 721 C GLU A 41 -8.693 7.183 -3.922 1.00 0.00 C ATOM 722 O GLU A 41 -9.149 6.054 -4.101 1.00 0.00 O ATOM 723 CB GLU A 41 -7.061 7.103 -5.837 1.00 0.00 C ATOM 724 CG GLU A 41 -6.129 6.305 -4.940 1.00 0.00 C ATOM 725 CD GLU A 41 -6.379 4.811 -5.012 1.00 0.00 C ATOM 726 OE1 GLU A 41 -6.127 4.219 -6.083 1.00 0.00 O ATOM 727 OE2 GLU A 41 -6.826 4.234 -4.000 1.00 0.00 O ATOM 0 H GLU A 41 -6.475 9.090 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.879 8.240 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.602 6.414 -6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.464 7.746 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.096 6.510 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.249 6.640 -3.910 1.00 0.00 H new ATOM 734 N THR A 42 -8.709 7.790 -2.742 1.00 0.00 N ATOM 735 CA THR A 42 -9.274 7.152 -1.565 1.00 0.00 C ATOM 736 C THR A 42 -9.922 8.181 -0.630 1.00 0.00 C ATOM 737 O THR A 42 -10.310 7.852 0.492 1.00 0.00 O ATOM 738 CB THR A 42 -8.187 6.363 -0.831 1.00 0.00 C ATOM 739 OG1 THR A 42 -7.699 5.315 -1.647 1.00 0.00 O ATOM 740 CG2 THR A 42 -8.654 5.748 0.471 1.00 0.00 C ATOM 0 H THR A 42 -8.336 8.725 -2.577 1.00 0.00 H new ATOM 0 HA THR A 42 -10.056 6.465 -1.888 1.00 0.00 H new ATOM 0 HB THR A 42 -7.409 7.092 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.004 4.821 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.830 5.205 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.993 6.535 1.144 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.476 5.060 0.274 1.00 0.00 H new ATOM 748 N GLU A 43 -10.051 9.425 -1.096 1.00 0.00 N ATOM 749 CA GLU A 43 -10.664 10.481 -0.291 1.00 0.00 C ATOM 750 C GLU A 43 -12.004 10.025 0.262 1.00 0.00 C ATOM 751 O GLU A 43 -12.224 10.028 1.474 1.00 0.00 O ATOM 752 CB GLU A 43 -10.867 11.756 -1.117 1.00 0.00 C ATOM 753 CG GLU A 43 -11.405 11.510 -2.518 1.00 0.00 C ATOM 754 CD GLU A 43 -11.037 12.618 -3.486 1.00 0.00 C ATOM 755 OE1 GLU A 43 -10.914 13.780 -3.040 1.00 0.00 O ATOM 756 OE2 GLU A 43 -10.872 12.326 -4.689 1.00 0.00 O ATOM 0 H GLU A 43 -9.741 9.724 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.986 10.698 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.555 12.414 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.916 12.283 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.017 10.562 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.490 11.415 -2.475 1.00 0.00 H new ATOM 763 N PHE A 44 -12.903 9.642 -0.636 1.00 0.00 N ATOM 764 CA PHE A 44 -14.231 9.192 -0.243 1.00 0.00 C ATOM 765 C PHE A 44 -14.253 7.692 0.034 1.00 0.00 C ATOM 766 O PHE A 44 -15.129 7.197 0.743 1.00 0.00 O ATOM 767 CB PHE A 44 -15.249 9.535 -1.333 1.00 0.00 C ATOM 768 CG PHE A 44 -15.952 10.844 -1.107 1.00 0.00 C ATOM 769 CD1 PHE A 44 -15.276 12.044 -1.259 1.00 0.00 C ATOM 770 CD2 PHE A 44 -17.289 10.874 -0.745 1.00 0.00 C ATOM 771 CE1 PHE A 44 -15.920 13.249 -1.053 1.00 0.00 C ATOM 772 CE2 PHE A 44 -17.938 12.076 -0.537 1.00 0.00 C ATOM 773 CZ PHE A 44 -17.252 13.265 -0.692 1.00 0.00 C ATOM 0 H PHE A 44 -12.736 9.634 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.498 9.710 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -14.741 9.566 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -15.991 8.738 -1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -14.234 12.037 -1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.830 9.947 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.382 14.177 -1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.980 12.086 -0.254 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.757 14.206 -0.531 1.00 0.00 H new ATOM 783 N LYS A 45 -13.293 6.967 -0.533 1.00 0.00 N ATOM 784 CA LYS A 45 -13.224 5.523 -0.343 1.00 0.00 C ATOM 785 C LYS A 45 -13.005 5.159 1.124 1.00 0.00 C ATOM 786 O LYS A 45 -13.650 4.251 1.648 1.00 0.00 O ATOM 787 CB LYS A 45 -12.105 4.923 -1.199 1.00 0.00 C ATOM 788 CG LYS A 45 -12.127 5.379 -2.650 1.00 0.00 C ATOM 789 CD LYS A 45 -13.450 5.051 -3.324 1.00 0.00 C ATOM 790 CE LYS A 45 -13.786 6.063 -4.407 1.00 0.00 C ATOM 791 NZ LYS A 45 -14.678 5.486 -5.451 1.00 0.00 N ATOM 0 H LYS A 45 -12.557 7.353 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.181 5.106 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.143 5.188 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.181 3.836 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.952 6.454 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.313 4.900 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.401 4.053 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.246 5.035 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.269 6.930 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.865 6.416 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.883 6.208 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.208 4.674 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.567 5.172 -5.013 1.00 0.00 H new ATOM 805 N LYS A 46 -12.084 5.859 1.781 1.00 0.00 N ATOM 806 CA LYS A 46 -11.777 5.588 3.182 1.00 0.00 C ATOM 807 C LYS A 46 -12.895 6.058 4.115 1.00 0.00 C ATOM 808 O LYS A 46 -13.249 5.364 5.067 1.00 0.00 O ATOM 809 CB LYS A 46 -10.452 6.254 3.573 1.00 0.00 C ATOM 810 CG LYS A 46 -10.523 7.771 3.657 1.00 0.00 C ATOM 811 CD LYS A 46 -9.242 8.358 4.228 1.00 0.00 C ATOM 812 CE LYS A 46 -8.099 8.292 3.226 1.00 0.00 C ATOM 813 NZ LYS A 46 -7.103 7.246 3.589 1.00 0.00 N ATOM 0 H LYS A 46 -11.539 6.616 1.367 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.687 4.507 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.131 5.862 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.689 5.976 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.702 8.183 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.368 8.063 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.414 9.395 4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.965 7.817 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.498 8.085 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.605 9.262 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.710 6.825 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.335 7.675 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.567 6.506 4.154 1.00 0.00 H new ATOM 827 N ILE A 47 -13.433 7.245 3.851 1.00 0.00 N ATOM 828 CA ILE A 47 -14.491 7.796 4.692 1.00 0.00 C ATOM 829 C ILE A 47 -15.760 6.947 4.641 1.00 0.00 C ATOM 830 O ILE A 47 -16.296 6.567 5.681 1.00 0.00 O ATOM 831 CB ILE A 47 -14.821 9.263 4.326 1.00 0.00 C ATOM 832 CG1 ILE A 47 -15.538 9.346 2.974 1.00 0.00 C ATOM 833 CG2 ILE A 47 -13.550 10.102 4.313 1.00 0.00 C ATOM 834 CD1 ILE A 47 -15.742 10.763 2.480 1.00 0.00 C ATOM 0 H ILE A 47 -13.157 7.839 3.069 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.106 7.778 5.712 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.494 9.661 5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.963 8.791 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.508 8.856 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.796 11.132 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.087 10.077 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.855 9.699 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.255 10.743 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.344 11.317 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.774 11.251 2.364 1.00 0.00 H new ATOM 846 N LYS A 48 -16.246 6.652 3.437 1.00 0.00 N ATOM 847 CA LYS A 48 -17.456 5.849 3.285 1.00 0.00 C ATOM 848 C LYS A 48 -17.329 4.533 4.045 1.00 0.00 C ATOM 849 O LYS A 48 -18.310 4.006 4.569 1.00 0.00 O ATOM 850 CB LYS A 48 -17.741 5.582 1.804 1.00 0.00 C ATOM 851 CG LYS A 48 -16.699 4.707 1.128 1.00 0.00 C ATOM 852 CD LYS A 48 -17.241 3.316 0.835 1.00 0.00 C ATOM 853 CE LYS A 48 -16.548 2.687 -0.361 1.00 0.00 C ATOM 854 NZ LYS A 48 -17.476 1.842 -1.161 1.00 0.00 N ATOM 0 H LYS A 48 -15.824 6.955 2.559 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.291 6.410 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.717 5.106 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.799 6.534 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.377 5.176 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.819 4.628 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.106 2.680 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.313 3.375 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.134 3.472 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.710 2.080 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.964 1.432 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.851 1.078 -0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.262 2.426 -1.511 1.00 0.00 H new ATOM 868 N VAL A 49 -16.108 4.010 4.101 1.00 0.00 N ATOM 869 CA VAL A 49 -15.841 2.758 4.797 1.00 0.00 C ATOM 870 C VAL A 49 -15.696 2.981 6.301 1.00 0.00 C ATOM 871 O VAL A 49 -16.045 2.116 7.103 1.00 0.00 O ATOM 872 CB VAL A 49 -14.559 2.089 4.265 1.00 0.00 C ATOM 873 CG1 VAL A 49 -14.342 0.734 4.924 1.00 0.00 C ATOM 874 CG2 VAL A 49 -14.621 1.949 2.751 1.00 0.00 C ATOM 0 H VAL A 49 -15.287 4.436 3.671 1.00 0.00 H new ATOM 0 HA VAL A 49 -16.693 2.104 4.612 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.711 2.725 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.431 0.281 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.248 0.865 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -15.191 0.085 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.708 1.475 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -15.480 1.336 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.720 2.936 2.298 1.00 0.00 H new ATOM 884 N LEU A 50 -15.176 4.146 6.676 1.00 0.00 N ATOM 885 CA LEU A 50 -14.983 4.479 8.083 1.00 0.00 C ATOM 886 C LEU A 50 -16.283 4.964 8.716 1.00 0.00 C ATOM 887 O LEU A 50 -16.511 4.777 9.912 1.00 0.00 O ATOM 888 CB LEU A 50 -13.899 5.547 8.232 1.00 0.00 C ATOM 889 CG LEU A 50 -12.486 5.092 7.866 1.00 0.00 C ATOM 890 CD1 LEU A 50 -11.611 6.288 7.526 1.00 0.00 C ATOM 891 CD2 LEU A 50 -11.875 4.288 9.004 1.00 0.00 C ATOM 0 H LEU A 50 -14.881 4.874 6.026 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.666 3.574 8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.163 6.400 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.895 5.897 9.264 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.547 4.452 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.609 5.944 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.040 6.824 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.556 6.955 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.869 3.972 8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.827 4.905 9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.490 3.410 9.200 1.00 0.00 H new ATOM 903 N GLY A 51 -17.132 5.587 7.907 1.00 0.00 N ATOM 904 CA GLY A 51 -18.398 6.088 8.407 1.00 0.00 C ATOM 905 C GLY A 51 -19.549 5.150 8.108 1.00 0.00 C ATOM 906 O GLY A 51 -20.688 5.587 7.941 1.00 0.00 O ATOM 0 H GLY A 51 -16.966 5.754 6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.326 6.239 9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.602 7.062 7.962 1.00 0.00 H new ATOM 910 N SER A 52 -19.252 3.856 8.042 1.00 0.00 N ATOM 911 CA SER A 52 -20.269 2.849 7.761 1.00 0.00 C ATOM 912 C SER A 52 -21.408 2.926 8.775 1.00 0.00 C ATOM 913 O SER A 52 -22.552 2.598 8.464 1.00 0.00 O ATOM 914 CB SER A 52 -19.651 1.451 7.775 1.00 0.00 C ATOM 915 OG SER A 52 -20.306 0.594 6.856 1.00 0.00 O ATOM 0 H SER A 52 -18.314 3.480 8.180 1.00 0.00 H new ATOM 0 HA SER A 52 -20.676 3.048 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 52 -18.592 1.516 7.525 1.00 0.00 H new ATOM 0 HB3 SER A 52 -19.717 1.031 8.779 1.00 0.00 H new ATOM 0 HG SER A 52 -19.891 -0.293 6.883 1.00 0.00 H new ATOM 921 N GLY A 53 -21.083 3.361 9.988 1.00 0.00 N ATOM 922 CA GLY A 53 -22.089 3.472 11.029 1.00 0.00 C ATOM 923 C GLY A 53 -22.441 2.132 11.643 1.00 0.00 C ATOM 924 O GLY A 53 -22.689 1.176 10.877 1.00 0.00 O ATOM 925 OXT GLY A 53 -22.466 2.037 12.887 1.00 0.00 O ATOM 0 H GLY A 53 -20.142 3.638 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.727 4.141 11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.989 3.925 10.613 1.00 0.00 H new TER 929 GLY A 53