USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 98 THR OG1 : rot 127:sc= 1.34 USER MOD Set 1.2: A 125 THR OG1 : rot 20:sc= 1 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 25:sc= 0.108 USER MOD Single : A 47 GLN : amide:sc= -0.857 X(o=-0.86,f=-0.6) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.103 (180deg=-0.414) USER MOD Single : A 51 HIS : no HE2:sc= -0.305 K(o=-0.31,f=-2.1) USER MOD Single : A 52 THR OG1 : rot 146:sc= 0.204 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.943 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -117:sc= -0.0354 (180deg=-0.63) USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= 0.26 (180deg=-0.137) USER MOD Single : A 82 ASN : amide:sc= 0.382 X(o=0.38,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc=-0.00642 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 49:sc= 0.194 USER MOD Single : A 91 TYR OH : rot -174:sc= 0.955 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -172:sc= 0.343 (180deg=0.109) USER MOD Single : A 122 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 124 MET CE :methyl -160:sc= -0.213 (180deg=-0.859) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 CYS SG : rot -150:sc= -2.2! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -25.720 17.551 11.648 1.00 0.00 N ATOM 2 CA MET A 43 -25.709 19.007 11.933 1.00 0.00 C ATOM 3 C MET A 43 -24.324 19.436 12.449 1.00 0.00 C ATOM 4 O MET A 43 -23.585 20.147 11.758 1.00 0.00 O ATOM 5 CB MET A 43 -26.817 19.354 12.963 1.00 0.00 C ATOM 6 CG MET A 43 -26.932 20.839 13.334 1.00 0.00 C ATOM 7 SD MET A 43 -28.222 21.171 14.550 1.00 0.00 S ATOM 8 CE MET A 43 -28.059 22.950 14.723 1.00 0.00 C ATOM 0 HA MET A 43 -25.913 19.554 11.012 1.00 0.00 H new ATOM 0 HB2 MET A 43 -27.776 19.021 12.565 1.00 0.00 H new ATOM 0 HB3 MET A 43 -26.634 18.783 13.873 1.00 0.00 H new ATOM 0 HG2 MET A 43 -25.975 21.184 13.726 1.00 0.00 H new ATOM 0 HG3 MET A 43 -27.134 21.417 12.432 1.00 0.00 H new ATOM 0 HE1 MET A 43 -28.791 23.314 15.444 1.00 0.00 H new ATOM 0 HE2 MET A 43 -27.055 23.191 15.072 1.00 0.00 H new ATOM 0 HE3 MET A 43 -28.232 23.427 13.758 1.00 0.00 H new ATOM 20 N ALA A 44 -23.986 19.000 13.676 1.00 0.00 N ATOM 21 CA ALA A 44 -22.701 19.295 14.320 1.00 0.00 C ATOM 22 C ALA A 44 -21.921 17.994 14.525 1.00 0.00 C ATOM 23 O ALA A 44 -22.206 17.228 15.454 1.00 0.00 O ATOM 24 CB ALA A 44 -22.922 20.023 15.657 1.00 0.00 C ATOM 0 H ALA A 44 -24.605 18.428 14.250 1.00 0.00 H new ATOM 0 HA ALA A 44 -22.119 19.954 13.676 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -21.958 20.234 16.120 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -23.451 20.959 15.478 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -23.514 19.393 16.321 1.00 0.00 H new ATOM 30 N THR A 45 -20.973 17.729 13.626 1.00 0.00 N ATOM 31 CA THR A 45 -20.095 16.563 13.708 1.00 0.00 C ATOM 32 C THR A 45 -19.056 16.766 14.839 1.00 0.00 C ATOM 33 O THR A 45 -18.360 17.789 14.845 1.00 0.00 O ATOM 34 CB THR A 45 -19.368 16.329 12.337 1.00 0.00 C ATOM 35 OG1 THR A 45 -18.708 17.540 11.923 1.00 0.00 O ATOM 36 CG2 THR A 45 -20.342 15.894 11.228 1.00 0.00 C ATOM 0 H THR A 45 -20.792 18.321 12.816 1.00 0.00 H new ATOM 0 HA THR A 45 -20.697 15.683 13.933 1.00 0.00 H new ATOM 0 HB THR A 45 -18.645 15.527 12.490 1.00 0.00 H new ATOM 0 HG1 THR A 45 -18.508 18.089 12.710 1.00 0.00 H new ATOM 0 HG21 THR A 45 -19.792 15.744 10.299 1.00 0.00 H new ATOM 0 HG22 THR A 45 -20.828 14.962 11.516 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.097 16.667 11.083 1.00 0.00 H new ATOM 44 N PRO A 46 -18.963 15.827 15.837 1.00 0.00 N ATOM 45 CA PRO A 46 -17.900 15.867 16.867 1.00 0.00 C ATOM 46 C PRO A 46 -16.503 15.813 16.214 1.00 0.00 C ATOM 47 O PRO A 46 -16.287 15.019 15.292 1.00 0.00 O ATOM 48 CB PRO A 46 -18.189 14.621 17.750 1.00 0.00 C ATOM 49 CG PRO A 46 -19.637 14.315 17.502 1.00 0.00 C ATOM 50 CD PRO A 46 -19.885 14.680 16.055 1.00 0.00 C ATOM 0 HA PRO A 46 -17.902 16.786 17.453 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.552 13.781 17.472 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.002 14.829 18.804 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.852 13.262 17.684 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -20.280 14.891 18.168 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.662 13.850 15.385 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -20.924 14.959 15.881 1.00 0.00 H new ATOM 58 N GLN A 47 -15.591 16.686 16.682 1.00 0.00 N ATOM 59 CA GLN A 47 -14.280 16.918 16.046 1.00 0.00 C ATOM 60 C GLN A 47 -13.400 15.651 16.101 1.00 0.00 C ATOM 61 O GLN A 47 -12.688 15.408 17.082 1.00 0.00 O ATOM 62 CB GLN A 47 -13.534 18.139 16.681 1.00 0.00 C ATOM 63 CG GLN A 47 -14.196 19.529 16.479 1.00 0.00 C ATOM 64 CD GLN A 47 -15.522 19.720 17.227 1.00 0.00 C ATOM 65 OE1 GLN A 47 -15.537 20.122 18.387 1.00 0.00 O ATOM 66 NE2 GLN A 47 -16.644 19.417 16.579 1.00 0.00 N ATOM 0 H GLN A 47 -15.744 17.253 17.516 1.00 0.00 H new ATOM 0 HA GLN A 47 -14.470 17.156 14.999 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -13.434 17.960 17.751 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.526 18.177 16.268 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -13.497 20.300 16.803 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -14.369 19.683 15.414 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.603 19.085 15.615 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.545 19.517 17.046 1.00 0.00 H new ATOM 75 N ASP A 48 -13.528 14.812 15.059 1.00 0.00 N ATOM 76 CA ASP A 48 -12.681 13.636 14.864 1.00 0.00 C ATOM 77 C ASP A 48 -11.457 14.029 14.030 1.00 0.00 C ATOM 78 O ASP A 48 -11.581 14.460 12.885 1.00 0.00 O ATOM 79 CB ASP A 48 -13.478 12.458 14.223 1.00 0.00 C ATOM 80 CG ASP A 48 -14.210 12.801 12.912 1.00 0.00 C ATOM 81 OD1 ASP A 48 -15.329 13.353 12.961 1.00 0.00 O ATOM 82 OD2 ASP A 48 -13.676 12.518 11.827 1.00 0.00 O ATOM 0 H ASP A 48 -14.228 14.937 14.327 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.337 13.276 15.834 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.789 11.635 14.032 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.210 12.099 14.946 1.00 0.00 H new ATOM 87 N LYS A 49 -10.282 13.959 14.657 1.00 0.00 N ATOM 88 CA LYS A 49 -8.982 14.170 13.996 1.00 0.00 C ATOM 89 C LYS A 49 -8.493 12.848 13.381 1.00 0.00 C ATOM 90 O LYS A 49 -7.887 12.828 12.303 1.00 0.00 O ATOM 91 CB LYS A 49 -7.972 14.714 15.049 1.00 0.00 C ATOM 92 CG LYS A 49 -6.518 14.862 14.568 1.00 0.00 C ATOM 93 CD LYS A 49 -6.365 15.805 13.356 1.00 0.00 C ATOM 94 CE LYS A 49 -4.936 15.773 12.792 1.00 0.00 C ATOM 95 NZ LYS A 49 -4.532 14.403 12.350 1.00 0.00 N ATOM 0 H LYS A 49 -10.199 13.752 15.652 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.076 14.897 13.189 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.322 15.688 15.392 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.983 14.049 15.913 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.908 15.237 15.390 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.129 13.879 14.305 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.071 15.515 12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.617 16.823 13.652 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.865 16.460 11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.240 16.128 13.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.702 14.470 11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.295 13.826 13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.318 13.959 11.833 1.00 0.00 H new ATOM 109 N LEU A 50 -8.842 11.748 14.065 1.00 0.00 N ATOM 110 CA LEU A 50 -8.368 10.389 13.754 1.00 0.00 C ATOM 111 C LEU A 50 -9.080 9.747 12.534 1.00 0.00 C ATOM 112 O LEU A 50 -9.031 8.521 12.395 1.00 0.00 O ATOM 113 CB LEU A 50 -8.507 9.494 15.040 1.00 0.00 C ATOM 114 CG LEU A 50 -9.867 9.560 15.846 1.00 0.00 C ATOM 115 CD1 LEU A 50 -11.080 9.047 15.041 1.00 0.00 C ATOM 116 CD2 LEU A 50 -9.751 8.797 17.183 1.00 0.00 C ATOM 0 H LEU A 50 -9.474 11.778 14.865 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.320 10.461 13.462 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.343 8.458 14.745 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.701 9.762 15.723 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.048 10.616 16.046 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.980 9.120 15.652 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.202 9.651 14.142 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.916 8.007 14.759 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.698 8.856 17.719 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.511 7.752 16.986 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.962 9.243 17.789 1.00 0.00 H new ATOM 128 N HIS A 51 -9.737 10.564 11.661 1.00 0.00 N ATOM 129 CA HIS A 51 -10.468 10.052 10.477 1.00 0.00 C ATOM 130 C HIS A 51 -9.507 9.458 9.425 1.00 0.00 C ATOM 131 O HIS A 51 -9.151 10.087 8.430 1.00 0.00 O ATOM 132 CB HIS A 51 -11.419 11.127 9.862 1.00 0.00 C ATOM 133 CG HIS A 51 -10.832 12.510 9.628 1.00 0.00 C ATOM 134 ND1 HIS A 51 -11.324 13.636 10.247 1.00 0.00 N ATOM 135 CD2 HIS A 51 -9.831 12.948 8.821 1.00 0.00 C ATOM 136 CE1 HIS A 51 -10.658 14.696 9.833 1.00 0.00 C ATOM 137 NE2 HIS A 51 -9.746 14.305 8.973 1.00 0.00 N ATOM 0 H HIS A 51 -9.772 11.579 11.760 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.104 9.238 10.824 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -11.787 10.749 8.908 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -12.283 11.231 10.518 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -12.088 13.649 10.923 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.215 12.337 8.177 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.833 15.714 10.148 1.00 0.00 H new ATOM 146 N THR A 52 -9.078 8.233 9.695 1.00 0.00 N ATOM 147 CA THR A 52 -8.195 7.463 8.832 1.00 0.00 C ATOM 148 C THR A 52 -8.861 6.115 8.536 1.00 0.00 C ATOM 149 O THR A 52 -9.619 5.584 9.361 1.00 0.00 O ATOM 150 CB THR A 52 -6.797 7.235 9.494 1.00 0.00 C ATOM 151 OG1 THR A 52 -6.958 6.771 10.850 1.00 0.00 O ATOM 152 CG2 THR A 52 -5.905 8.498 9.475 1.00 0.00 C ATOM 0 H THR A 52 -9.342 7.734 10.544 1.00 0.00 H new ATOM 0 HA THR A 52 -8.030 8.019 7.909 1.00 0.00 H new ATOM 0 HB THR A 52 -6.290 6.477 8.897 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.233 6.150 11.071 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.949 8.275 9.949 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.736 8.808 8.444 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.401 9.302 10.019 1.00 0.00 H new ATOM 160 N VAL A 53 -8.581 5.570 7.355 1.00 0.00 N ATOM 161 CA VAL A 53 -9.136 4.294 6.906 1.00 0.00 C ATOM 162 C VAL A 53 -8.004 3.273 6.884 1.00 0.00 C ATOM 163 O VAL A 53 -7.061 3.406 6.101 1.00 0.00 O ATOM 164 CB VAL A 53 -9.790 4.432 5.485 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.471 3.115 5.026 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.782 5.616 5.453 1.00 0.00 C ATOM 0 H VAL A 53 -7.957 6.005 6.676 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.922 3.970 7.588 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.989 4.637 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.910 3.257 4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.729 2.318 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.253 2.844 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.224 5.694 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.569 5.451 6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.254 6.540 5.688 1.00 0.00 H new ATOM 176 N ARG A 54 -8.067 2.296 7.787 1.00 0.00 N ATOM 177 CA ARG A 54 -7.046 1.261 7.903 1.00 0.00 C ATOM 178 C ARG A 54 -7.518 0.001 7.154 1.00 0.00 C ATOM 179 O ARG A 54 -8.446 -0.682 7.596 1.00 0.00 O ATOM 180 CB ARG A 54 -6.744 0.982 9.398 1.00 0.00 C ATOM 181 CG ARG A 54 -5.533 0.065 9.637 1.00 0.00 C ATOM 182 CD ARG A 54 -5.203 -0.110 11.128 1.00 0.00 C ATOM 183 NE ARG A 54 -6.303 -0.752 11.873 1.00 0.00 N ATOM 184 CZ ARG A 54 -6.174 -1.403 13.035 1.00 0.00 C ATOM 185 NH1 ARG A 54 -4.984 -1.569 13.600 1.00 0.00 N ATOM 186 NH2 ARG A 54 -7.247 -1.904 13.611 1.00 0.00 N ATOM 0 H ARG A 54 -8.829 2.201 8.459 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.114 1.592 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.572 1.931 9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.624 0.530 9.856 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.730 -0.912 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.664 0.477 9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.299 -0.711 11.230 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.990 0.864 11.567 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.238 -0.695 11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.149 -1.197 13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.905 -2.068 14.486 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.161 -1.793 13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.164 -2.403 14.497 1.00 0.00 H new ATOM 200 N LEU A 55 -6.881 -0.274 6.003 1.00 0.00 N ATOM 201 CA LEU A 55 -7.296 -1.337 5.074 1.00 0.00 C ATOM 202 C LEU A 55 -6.204 -2.428 5.109 1.00 0.00 C ATOM 203 O LEU A 55 -5.020 -2.130 4.928 1.00 0.00 O ATOM 204 CB LEU A 55 -7.513 -0.720 3.648 1.00 0.00 C ATOM 205 CG LEU A 55 -8.487 -1.462 2.661 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.814 -0.570 1.441 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.932 -2.814 2.176 1.00 0.00 C ATOM 0 H LEU A 55 -6.057 0.240 5.690 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.244 -1.793 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.881 0.298 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.539 -0.648 3.164 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.397 -1.664 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.489 -1.103 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.290 0.350 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.893 -0.327 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.648 -3.279 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.989 -2.654 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.766 -3.468 3.032 1.00 0.00 H new ATOM 219 N PHE A 56 -6.605 -3.681 5.377 1.00 0.00 N ATOM 220 CA PHE A 56 -5.675 -4.826 5.516 1.00 0.00 C ATOM 221 C PHE A 56 -5.650 -5.620 4.194 1.00 0.00 C ATOM 222 O PHE A 56 -6.685 -5.735 3.522 1.00 0.00 O ATOM 223 CB PHE A 56 -6.143 -5.760 6.672 1.00 0.00 C ATOM 224 CG PHE A 56 -6.363 -5.069 8.020 1.00 0.00 C ATOM 225 CD1 PHE A 56 -7.533 -4.350 8.273 1.00 0.00 C ATOM 226 CD2 PHE A 56 -5.406 -5.135 9.034 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.739 -3.727 9.488 1.00 0.00 C ATOM 228 CE2 PHE A 56 -5.616 -4.510 10.249 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.781 -3.804 10.474 1.00 0.00 C ATOM 0 H PHE A 56 -7.585 -3.935 5.505 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.677 -4.452 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.073 -6.243 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.402 -6.549 6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.290 -4.280 7.505 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.490 -5.681 8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.653 -3.179 9.665 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.867 -4.574 11.024 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.941 -3.313 11.422 1.00 0.00 H new ATOM 239 N GLY A 57 -4.488 -6.169 3.824 1.00 0.00 N ATOM 240 CA GLY A 57 -4.384 -7.010 2.627 1.00 0.00 C ATOM 241 C GLY A 57 -2.957 -7.422 2.327 1.00 0.00 C ATOM 242 O GLY A 57 -2.093 -7.394 3.210 1.00 0.00 O ATOM 0 H GLY A 57 -3.612 -6.047 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.996 -7.902 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.790 -6.470 1.772 1.00 0.00 H new ATOM 246 N THR A 58 -2.720 -7.829 1.078 1.00 0.00 N ATOM 247 CA THR A 58 -1.399 -8.220 0.580 1.00 0.00 C ATOM 248 C THR A 58 -1.081 -7.444 -0.708 1.00 0.00 C ATOM 249 O THR A 58 -1.970 -7.233 -1.541 1.00 0.00 O ATOM 250 CB THR A 58 -1.369 -9.759 0.309 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.810 -10.458 1.484 1.00 0.00 O ATOM 252 CG2 THR A 58 0.032 -10.269 -0.086 1.00 0.00 C ATOM 0 H THR A 58 -3.453 -7.897 0.372 1.00 0.00 H new ATOM 0 HA THR A 58 -0.644 -7.982 1.330 1.00 0.00 H new ATOM 0 HB THR A 58 -2.035 -9.951 -0.532 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.794 -11.423 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.008 -11.344 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.360 -9.765 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.736 -10.059 0.719 1.00 0.00 H new ATOM 260 N VAL A 59 0.182 -7.022 -0.854 1.00 0.00 N ATOM 261 CA VAL A 59 0.662 -6.301 -2.037 1.00 0.00 C ATOM 262 C VAL A 59 0.812 -7.299 -3.181 1.00 0.00 C ATOM 263 O VAL A 59 1.360 -8.389 -2.982 1.00 0.00 O ATOM 264 CB VAL A 59 2.038 -5.588 -1.756 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.596 -4.880 -3.011 1.00 0.00 C ATOM 266 CG2 VAL A 59 1.903 -4.596 -0.585 1.00 0.00 C ATOM 0 H VAL A 59 0.903 -7.173 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.058 -5.526 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 59 2.754 -6.363 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.545 -4.403 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.750 -5.612 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.886 -4.124 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.863 -4.113 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.157 -3.841 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.593 -5.132 0.312 1.00 0.00 H new ATOM 276 N ALA A 60 0.307 -6.936 -4.355 1.00 0.00 N ATOM 277 CA ALA A 60 0.399 -7.789 -5.535 1.00 0.00 C ATOM 278 C ALA A 60 1.811 -7.781 -6.130 1.00 0.00 C ATOM 279 O ALA A 60 2.492 -6.745 -6.139 1.00 0.00 O ATOM 280 CB ALA A 60 -0.616 -7.355 -6.587 1.00 0.00 C ATOM 0 H ALA A 60 -0.173 -6.051 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 60 0.174 -8.808 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.534 -8.002 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.622 -7.429 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.419 -6.324 -6.879 1.00 0.00 H new ATOM 286 N ALA A 61 2.240 -8.952 -6.610 1.00 0.00 N ATOM 287 CA ALA A 61 3.441 -9.077 -7.442 1.00 0.00 C ATOM 288 C ALA A 61 3.088 -8.718 -8.895 1.00 0.00 C ATOM 289 O ALA A 61 3.946 -8.312 -9.679 1.00 0.00 O ATOM 290 CB ALA A 61 4.016 -10.494 -7.338 1.00 0.00 C ATOM 0 H ALA A 61 1.766 -9.838 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 61 4.208 -8.387 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.907 -10.572 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.278 -10.705 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.272 -11.214 -7.678 1.00 0.00 H new ATOM 296 N ASP A 62 1.795 -8.882 -9.231 1.00 0.00 N ATOM 297 CA ASP A 62 1.231 -8.466 -10.517 1.00 0.00 C ATOM 298 C ASP A 62 0.508 -7.124 -10.331 1.00 0.00 C ATOM 299 O ASP A 62 -0.642 -7.075 -9.879 1.00 0.00 O ATOM 300 CB ASP A 62 0.274 -9.556 -11.065 1.00 0.00 C ATOM 301 CG ASP A 62 -0.311 -9.202 -12.446 1.00 0.00 C ATOM 302 OD1 ASP A 62 0.437 -9.263 -13.446 1.00 0.00 O ATOM 303 OD2 ASP A 62 -1.511 -8.857 -12.543 1.00 0.00 O ATOM 0 H ASP A 62 1.111 -9.311 -8.608 1.00 0.00 H new ATOM 0 HA ASP A 62 2.028 -8.338 -11.249 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.811 -10.502 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.542 -9.705 -10.358 1.00 0.00 H new ATOM 308 N GLY A 63 1.224 -6.041 -10.642 1.00 0.00 N ATOM 309 CA GLY A 63 0.699 -4.676 -10.549 1.00 0.00 C ATOM 310 C GLY A 63 1.378 -3.875 -9.451 1.00 0.00 C ATOM 311 O GLY A 63 0.781 -3.609 -8.400 1.00 0.00 O ATOM 0 H GLY A 63 2.190 -6.086 -10.967 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.837 -4.169 -11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.374 -4.713 -10.359 1.00 0.00 H new ATOM 315 N LEU A 64 2.635 -3.490 -9.711 1.00 0.00 N ATOM 316 CA LEU A 64 3.456 -2.718 -8.769 1.00 0.00 C ATOM 317 C LEU A 64 4.442 -1.850 -9.582 1.00 0.00 C ATOM 318 O LEU A 64 5.174 -2.373 -10.430 1.00 0.00 O ATOM 319 CB LEU A 64 4.197 -3.692 -7.785 1.00 0.00 C ATOM 320 CG LEU A 64 4.776 -3.076 -6.453 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.183 -4.179 -5.465 1.00 0.00 C ATOM 322 CD2 LEU A 64 5.973 -2.134 -6.696 1.00 0.00 C ATOM 0 H LEU A 64 3.113 -3.707 -10.586 1.00 0.00 H new ATOM 0 HA LEU A 64 2.836 -2.061 -8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.504 -4.489 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.021 -4.156 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 64 3.970 -2.480 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.579 -3.726 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.312 -4.786 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.948 -4.809 -5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.327 -1.742 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.777 -2.686 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.662 -1.308 -7.335 1.00 0.00 H new ATOM 334 N THR A 65 4.442 -0.535 -9.323 1.00 0.00 N ATOM 335 CA THR A 65 5.405 0.421 -9.888 1.00 0.00 C ATOM 336 C THR A 65 5.806 1.443 -8.804 1.00 0.00 C ATOM 337 O THR A 65 4.948 2.112 -8.232 1.00 0.00 O ATOM 338 CB THR A 65 4.805 1.159 -11.129 1.00 0.00 C ATOM 339 OG1 THR A 65 4.421 0.192 -12.118 1.00 0.00 O ATOM 340 CG2 THR A 65 5.784 2.167 -11.763 1.00 0.00 C ATOM 0 H THR A 65 3.760 -0.098 -8.703 1.00 0.00 H new ATOM 0 HA THR A 65 6.287 -0.127 -10.220 1.00 0.00 H new ATOM 0 HB THR A 65 3.942 1.724 -10.777 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.043 0.652 -12.896 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.309 2.646 -12.619 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.054 2.924 -11.027 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.682 1.644 -12.092 1.00 0.00 H new ATOM 348 N MET A 66 7.117 1.581 -8.555 1.00 0.00 N ATOM 349 CA MET A 66 7.649 2.428 -7.462 1.00 0.00 C ATOM 350 C MET A 66 8.049 3.802 -8.019 1.00 0.00 C ATOM 351 O MET A 66 8.188 3.976 -9.239 1.00 0.00 O ATOM 352 CB MET A 66 8.871 1.743 -6.783 1.00 0.00 C ATOM 353 CG MET A 66 8.593 0.319 -6.277 1.00 0.00 C ATOM 354 SD MET A 66 10.015 -0.468 -5.478 1.00 0.00 S ATOM 355 CE MET A 66 10.159 0.471 -3.959 1.00 0.00 C ATOM 0 H MET A 66 7.841 1.113 -9.100 1.00 0.00 H new ATOM 0 HA MET A 66 6.872 2.560 -6.710 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.696 1.709 -7.494 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.198 2.357 -5.944 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.764 0.351 -5.570 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.273 -0.298 -7.117 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.116 0.992 -3.943 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.349 1.198 -3.903 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.100 -0.205 -3.106 1.00 0.00 H new ATOM 365 N LEU A 67 8.205 4.789 -7.124 1.00 0.00 N ATOM 366 CA LEU A 67 8.735 6.112 -7.487 1.00 0.00 C ATOM 367 C LEU A 67 10.274 6.049 -7.412 1.00 0.00 C ATOM 368 O LEU A 67 10.843 5.976 -6.320 1.00 0.00 O ATOM 369 CB LEU A 67 8.134 7.202 -6.551 1.00 0.00 C ATOM 370 CG LEU A 67 6.566 7.296 -6.554 1.00 0.00 C ATOM 371 CD1 LEU A 67 6.053 8.383 -5.577 1.00 0.00 C ATOM 372 CD2 LEU A 67 6.020 7.530 -7.984 1.00 0.00 C ATOM 0 H LEU A 67 7.970 4.694 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 67 8.450 6.385 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.468 7.008 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.541 8.171 -6.840 1.00 0.00 H new ATOM 0 HG LEU A 67 6.186 6.337 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.964 8.416 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.379 8.145 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.454 9.353 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.932 7.590 -7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.424 8.462 -8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.319 6.703 -8.628 1.00 0.00 H new ATOM 384 N ASP A 68 10.926 6.019 -8.590 1.00 0.00 N ATOM 385 CA ASP A 68 12.380 5.767 -8.724 1.00 0.00 C ATOM 386 C ASP A 68 13.209 6.873 -8.053 1.00 0.00 C ATOM 387 O ASP A 68 13.155 8.035 -8.474 1.00 0.00 O ATOM 388 CB ASP A 68 12.768 5.640 -10.218 1.00 0.00 C ATOM 389 CG ASP A 68 12.017 4.501 -10.924 1.00 0.00 C ATOM 390 OD1 ASP A 68 12.444 3.328 -10.809 1.00 0.00 O ATOM 391 OD2 ASP A 68 10.989 4.762 -11.585 1.00 0.00 O ATOM 0 H ASP A 68 10.458 6.170 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 68 12.602 4.829 -8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.557 6.581 -10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.841 5.468 -10.298 1.00 0.00 H new ATOM 396 N GLY A 69 13.946 6.501 -6.991 1.00 0.00 N ATOM 397 CA GLY A 69 14.777 7.443 -6.236 1.00 0.00 C ATOM 398 C GLY A 69 13.972 8.413 -5.371 1.00 0.00 C ATOM 399 O GLY A 69 14.510 9.416 -4.893 1.00 0.00 O ATOM 0 H GLY A 69 13.979 5.545 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.460 6.882 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.389 8.014 -6.934 1.00 0.00 H new ATOM 403 N ALA A 70 12.681 8.099 -5.161 1.00 0.00 N ATOM 404 CA ALA A 70 11.725 8.953 -4.438 1.00 0.00 C ATOM 405 C ALA A 70 10.956 8.110 -3.395 1.00 0.00 C ATOM 406 O ALA A 70 10.651 6.938 -3.662 1.00 0.00 O ATOM 407 CB ALA A 70 10.755 9.607 -5.438 1.00 0.00 C ATOM 0 H ALA A 70 12.267 7.229 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 70 12.263 9.742 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.048 10.239 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.318 10.215 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.211 8.832 -5.977 1.00 0.00 H new ATOM 413 N PRO A 71 10.655 8.672 -2.177 1.00 0.00 N ATOM 414 CA PRO A 71 9.932 7.938 -1.121 1.00 0.00 C ATOM 415 C PRO A 71 8.432 7.778 -1.460 1.00 0.00 C ATOM 416 O PRO A 71 7.600 8.632 -1.124 1.00 0.00 O ATOM 417 CB PRO A 71 10.179 8.804 0.144 1.00 0.00 C ATOM 418 CG PRO A 71 10.338 10.200 -0.383 1.00 0.00 C ATOM 419 CD PRO A 71 11.000 10.060 -1.741 1.00 0.00 C ATOM 0 HA PRO A 71 10.278 6.913 -0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.344 8.735 0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.070 8.478 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.372 10.697 -0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.948 10.804 0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.625 10.803 -2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 71 12.079 10.200 -1.674 1.00 0.00 H new ATOM 427 N GLY A 72 8.120 6.701 -2.187 1.00 0.00 N ATOM 428 CA GLY A 72 6.743 6.347 -2.508 1.00 0.00 C ATOM 429 C GLY A 72 6.649 5.144 -3.439 1.00 0.00 C ATOM 430 O GLY A 72 7.627 4.780 -4.095 1.00 0.00 O ATOM 0 H GLY A 72 8.814 6.056 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.203 6.131 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.251 7.201 -2.973 1.00 0.00 H new ATOM 434 N VAL A 73 5.452 4.548 -3.513 1.00 0.00 N ATOM 435 CA VAL A 73 5.176 3.365 -4.330 1.00 0.00 C ATOM 436 C VAL A 73 3.671 3.277 -4.643 1.00 0.00 C ATOM 437 O VAL A 73 2.820 3.500 -3.773 1.00 0.00 O ATOM 438 CB VAL A 73 5.673 2.031 -3.637 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.102 1.861 -2.203 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.347 0.797 -4.512 1.00 0.00 C ATOM 0 H VAL A 73 4.637 4.881 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 73 5.734 3.473 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 73 6.756 2.109 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.473 0.931 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.419 2.700 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.013 1.832 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.699 -0.106 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.269 0.732 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.843 0.895 -5.478 1.00 0.00 H new ATOM 450 N ARG A 74 3.364 2.993 -5.907 1.00 0.00 N ATOM 451 CA ARG A 74 2.019 2.656 -6.370 1.00 0.00 C ATOM 452 C ARG A 74 1.955 1.135 -6.605 1.00 0.00 C ATOM 453 O ARG A 74 2.888 0.549 -7.143 1.00 0.00 O ATOM 454 CB ARG A 74 1.720 3.445 -7.665 1.00 0.00 C ATOM 455 CG ARG A 74 0.416 3.059 -8.397 1.00 0.00 C ATOM 456 CD ARG A 74 0.249 3.827 -9.727 1.00 0.00 C ATOM 457 NE ARG A 74 1.436 3.703 -10.601 1.00 0.00 N ATOM 458 CZ ARG A 74 1.431 3.664 -11.943 1.00 0.00 C ATOM 459 NH1 ARG A 74 0.288 3.620 -12.621 1.00 0.00 N ATOM 460 NH2 ARG A 74 2.583 3.648 -12.588 1.00 0.00 N ATOM 0 H ARG A 74 4.058 2.991 -6.654 1.00 0.00 H new ATOM 0 HA ARG A 74 1.266 2.927 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.677 4.506 -7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.555 3.309 -8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.415 1.987 -8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.437 3.264 -7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.628 3.450 -10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.065 4.880 -9.515 1.00 0.00 H new ATOM 0 HE ARG A 74 2.344 3.641 -10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.601 3.616 -12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.301 3.591 -13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.460 3.665 -12.067 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.596 3.618 -13.607 1.00 0.00 H new ATOM 474 N PHE A 75 0.862 0.511 -6.181 1.00 0.00 N ATOM 475 CA PHE A 75 0.645 -0.947 -6.316 1.00 0.00 C ATOM 476 C PHE A 75 -0.851 -1.229 -6.243 1.00 0.00 C ATOM 477 O PHE A 75 -1.624 -0.314 -5.986 1.00 0.00 O ATOM 478 CB PHE A 75 1.424 -1.732 -5.212 1.00 0.00 C ATOM 479 CG PHE A 75 1.109 -1.329 -3.762 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.809 -0.293 -3.134 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.119 -1.987 -3.027 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.532 0.067 -1.828 1.00 0.00 C ATOM 483 CE2 PHE A 75 -0.157 -1.627 -1.720 1.00 0.00 C ATOM 484 CZ PHE A 75 0.549 -0.602 -1.122 1.00 0.00 C ATOM 0 H PHE A 75 0.087 0.996 -5.728 1.00 0.00 H new ATOM 0 HA PHE A 75 1.028 -1.286 -7.279 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.212 -2.795 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.492 -1.600 -5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.578 0.234 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.439 -2.789 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.083 0.870 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.925 -2.148 -1.167 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.333 -0.322 -0.101 1.00 0.00 H new ATOM 494 N ARG A 76 -1.281 -2.476 -6.485 1.00 0.00 N ATOM 495 CA ARG A 76 -2.680 -2.860 -6.218 1.00 0.00 C ATOM 496 C ARG A 76 -2.691 -3.709 -4.936 1.00 0.00 C ATOM 497 O ARG A 76 -1.948 -4.699 -4.819 1.00 0.00 O ATOM 498 CB ARG A 76 -3.365 -3.602 -7.418 1.00 0.00 C ATOM 499 CG ARG A 76 -2.941 -5.068 -7.645 1.00 0.00 C ATOM 500 CD ARG A 76 -3.771 -5.808 -8.712 1.00 0.00 C ATOM 501 NE ARG A 76 -3.625 -7.280 -8.590 1.00 0.00 N ATOM 502 CZ ARG A 76 -4.032 -8.186 -9.492 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.507 -7.809 -10.674 1.00 0.00 N ATOM 504 NH2 ARG A 76 -3.936 -9.474 -9.200 1.00 0.00 N ATOM 0 H ARG A 76 -0.696 -3.224 -6.857 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.276 -1.957 -6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.444 -3.577 -7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.160 -3.041 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.891 -5.090 -7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.020 -5.607 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.822 -5.536 -8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.454 -5.491 -9.706 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.175 -7.634 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.566 -6.818 -10.907 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.812 -8.511 -11.348 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.557 -9.766 -8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.241 -10.174 -9.876 1.00 0.00 H new ATOM 518 N LEU A 77 -3.459 -3.267 -3.933 1.00 0.00 N ATOM 519 CA LEU A 77 -3.669 -4.041 -2.713 1.00 0.00 C ATOM 520 C LEU A 77 -4.797 -5.052 -2.950 1.00 0.00 C ATOM 521 O LEU A 77 -5.945 -4.668 -3.240 1.00 0.00 O ATOM 522 CB LEU A 77 -4.002 -3.136 -1.496 1.00 0.00 C ATOM 523 CG LEU A 77 -3.942 -3.857 -0.109 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.510 -4.334 0.181 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.460 -2.959 1.031 1.00 0.00 C ATOM 0 H LEU A 77 -3.946 -2.371 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.742 -4.563 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.307 -2.296 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.001 -2.721 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.601 -4.724 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.482 -4.834 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.194 -5.030 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.837 -3.477 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.400 -3.500 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.850 -2.057 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.496 -2.684 0.835 1.00 0.00 H new ATOM 537 N GLU A 78 -4.437 -6.332 -2.877 1.00 0.00 N ATOM 538 CA GLU A 78 -5.376 -7.447 -2.946 1.00 0.00 C ATOM 539 C GLU A 78 -5.942 -7.692 -1.534 1.00 0.00 C ATOM 540 O GLU A 78 -5.170 -7.971 -0.611 1.00 0.00 O ATOM 541 CB GLU A 78 -4.639 -8.700 -3.486 1.00 0.00 C ATOM 542 CG GLU A 78 -3.952 -8.489 -4.852 1.00 0.00 C ATOM 543 CD GLU A 78 -3.140 -9.712 -5.327 1.00 0.00 C ATOM 544 OE1 GLU A 78 -2.175 -10.107 -4.626 1.00 0.00 O ATOM 545 OE2 GLU A 78 -3.439 -10.271 -6.411 1.00 0.00 O ATOM 0 H GLU A 78 -3.467 -6.627 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.201 -7.224 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.889 -9.008 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.353 -9.519 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.710 -8.254 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.290 -7.626 -4.787 1.00 0.00 H new ATOM 552 N ASP A 79 -7.277 -7.554 -1.375 1.00 0.00 N ATOM 553 CA ASP A 79 -7.953 -7.620 -0.054 1.00 0.00 C ATOM 554 C ASP A 79 -7.769 -8.997 0.639 1.00 0.00 C ATOM 555 O ASP A 79 -7.508 -10.015 -0.022 1.00 0.00 O ATOM 556 CB ASP A 79 -9.466 -7.291 -0.207 1.00 0.00 C ATOM 557 CG ASP A 79 -10.240 -7.265 1.134 1.00 0.00 C ATOM 558 OD1 ASP A 79 -10.192 -6.233 1.835 1.00 0.00 O ATOM 559 OD2 ASP A 79 -10.862 -8.289 1.518 1.00 0.00 O ATOM 0 H ASP A 79 -7.917 -7.394 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.482 -6.874 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.570 -6.321 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.924 -8.029 -0.865 1.00 0.00 H new ATOM 564 N LYS A 80 -7.920 -8.957 1.982 1.00 0.00 N ATOM 565 CA LYS A 80 -7.851 -10.109 2.919 1.00 0.00 C ATOM 566 C LYS A 80 -8.422 -11.413 2.327 1.00 0.00 C ATOM 567 O LYS A 80 -7.747 -12.448 2.279 1.00 0.00 O ATOM 568 CB LYS A 80 -8.677 -9.771 4.198 1.00 0.00 C ATOM 569 CG LYS A 80 -8.383 -8.393 4.835 1.00 0.00 C ATOM 570 CD LYS A 80 -9.338 -8.049 6.007 1.00 0.00 C ATOM 571 CE LYS A 80 -10.830 -8.104 5.610 1.00 0.00 C ATOM 572 NZ LYS A 80 -11.154 -7.248 4.439 1.00 0.00 N ATOM 0 H LYS A 80 -8.102 -8.079 2.469 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.795 -10.272 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.737 -9.817 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.491 -10.544 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.355 -8.378 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.464 -7.621 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.161 -8.744 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.104 -7.051 6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.102 -9.135 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.438 -7.792 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.125 -6.886 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.489 -6.449 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.075 -7.809 3.567 1.00 0.00 H new ATOM 586 N ASP A 81 -9.677 -11.324 1.877 1.00 0.00 N ATOM 587 CA ASP A 81 -10.448 -12.482 1.392 1.00 0.00 C ATOM 588 C ASP A 81 -11.072 -12.185 0.023 1.00 0.00 C ATOM 589 O ASP A 81 -11.262 -13.103 -0.788 1.00 0.00 O ATOM 590 CB ASP A 81 -11.544 -12.845 2.427 1.00 0.00 C ATOM 591 CG ASP A 81 -12.545 -11.701 2.680 1.00 0.00 C ATOM 592 OD1 ASP A 81 -12.214 -10.762 3.439 1.00 0.00 O ATOM 593 OD2 ASP A 81 -13.650 -11.723 2.098 1.00 0.00 O ATOM 0 H ASP A 81 -10.193 -10.445 1.837 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.775 -13.331 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.087 -13.723 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.068 -13.118 3.369 1.00 0.00 H new ATOM 598 N ASN A 82 -11.395 -10.902 -0.225 1.00 0.00 N ATOM 599 CA ASN A 82 -12.041 -10.471 -1.475 1.00 0.00 C ATOM 600 C ASN A 82 -11.009 -10.392 -2.611 1.00 0.00 C ATOM 601 O ASN A 82 -10.294 -9.392 -2.746 1.00 0.00 O ATOM 602 CB ASN A 82 -12.772 -9.101 -1.298 1.00 0.00 C ATOM 603 CG ASN A 82 -13.994 -9.171 -0.376 1.00 0.00 C ATOM 604 OD1 ASN A 82 -15.103 -9.446 -0.829 1.00 0.00 O ATOM 605 ND2 ASN A 82 -13.805 -8.902 0.907 1.00 0.00 N ATOM 0 H ASN A 82 -11.216 -10.142 0.431 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.794 -11.215 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.067 -8.372 -0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.086 -8.737 -2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.594 -8.919 1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.871 -8.678 1.249 1.00 0.00 H new ATOM 612 N THR A 83 -10.924 -11.476 -3.406 1.00 0.00 N ATOM 613 CA THR A 83 -10.115 -11.516 -4.642 1.00 0.00 C ATOM 614 C THR A 83 -10.683 -10.536 -5.705 1.00 0.00 C ATOM 615 O THR A 83 -9.996 -10.151 -6.658 1.00 0.00 O ATOM 616 CB THR A 83 -10.027 -12.981 -5.205 1.00 0.00 C ATOM 617 OG1 THR A 83 -9.181 -13.023 -6.366 1.00 0.00 O ATOM 618 CG2 THR A 83 -11.407 -13.562 -5.555 1.00 0.00 C ATOM 0 H THR A 83 -11.414 -12.349 -3.210 1.00 0.00 H new ATOM 0 HA THR A 83 -9.103 -11.192 -4.399 1.00 0.00 H new ATOM 0 HB THR A 83 -9.600 -13.595 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.135 -13.942 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.288 -14.575 -5.939 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.030 -13.584 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.882 -12.940 -6.313 1.00 0.00 H new ATOM 626 N SER A 84 -11.948 -10.139 -5.495 1.00 0.00 N ATOM 627 CA SER A 84 -12.640 -9.120 -6.288 1.00 0.00 C ATOM 628 C SER A 84 -12.028 -7.717 -6.080 1.00 0.00 C ATOM 629 O SER A 84 -11.784 -6.991 -7.051 1.00 0.00 O ATOM 630 CB SER A 84 -14.125 -9.125 -5.892 1.00 0.00 C ATOM 631 OG SER A 84 -14.267 -9.026 -4.479 1.00 0.00 O ATOM 0 H SER A 84 -12.528 -10.528 -4.752 1.00 0.00 H new ATOM 0 HA SER A 84 -12.529 -9.357 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.638 -8.293 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.599 -10.040 -6.247 1.00 0.00 H new ATOM 0 HG SER A 84 -15.219 -9.029 -4.245 1.00 0.00 H new ATOM 637 N LYS A 85 -11.789 -7.346 -4.803 1.00 0.00 N ATOM 638 CA LYS A 85 -11.250 -6.024 -4.434 1.00 0.00 C ATOM 639 C LYS A 85 -9.747 -5.916 -4.769 1.00 0.00 C ATOM 640 O LYS A 85 -8.885 -6.183 -3.919 1.00 0.00 O ATOM 641 CB LYS A 85 -11.471 -5.711 -2.927 1.00 0.00 C ATOM 642 CG LYS A 85 -12.941 -5.605 -2.466 1.00 0.00 C ATOM 643 CD LYS A 85 -13.054 -5.138 -0.993 1.00 0.00 C ATOM 644 CE LYS A 85 -14.505 -4.967 -0.513 1.00 0.00 C ATOM 645 NZ LYS A 85 -14.560 -4.281 0.802 1.00 0.00 N ATOM 0 H LYS A 85 -11.965 -7.954 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.798 -5.289 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.982 -6.488 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.969 -4.772 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.474 -4.905 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -13.427 -6.574 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.550 -5.861 -0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.528 -4.190 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.069 -4.393 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.983 -5.944 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.551 -4.180 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.042 -4.842 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.125 -3.340 0.721 1.00 0.00 H new ATOM 659 N THR A 86 -9.444 -5.577 -6.028 1.00 0.00 N ATOM 660 CA THR A 86 -8.099 -5.180 -6.451 1.00 0.00 C ATOM 661 C THR A 86 -8.103 -3.652 -6.602 1.00 0.00 C ATOM 662 O THR A 86 -8.558 -3.108 -7.615 1.00 0.00 O ATOM 663 CB THR A 86 -7.701 -5.894 -7.792 1.00 0.00 C ATOM 664 OG1 THR A 86 -8.766 -5.771 -8.752 1.00 0.00 O ATOM 665 CG2 THR A 86 -7.385 -7.388 -7.568 1.00 0.00 C ATOM 0 H THR A 86 -10.129 -5.571 -6.784 1.00 0.00 H new ATOM 0 HA THR A 86 -7.356 -5.480 -5.712 1.00 0.00 H new ATOM 0 HB THR A 86 -6.802 -5.407 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.053 -4.835 -8.804 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.114 -7.849 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.555 -7.483 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.263 -7.888 -7.160 1.00 0.00 H new ATOM 673 N VAL A 87 -7.624 -2.962 -5.559 1.00 0.00 N ATOM 674 CA VAL A 87 -7.690 -1.491 -5.456 1.00 0.00 C ATOM 675 C VAL A 87 -6.270 -0.943 -5.494 1.00 0.00 C ATOM 676 O VAL A 87 -5.412 -1.459 -4.790 1.00 0.00 O ATOM 677 CB VAL A 87 -8.390 -1.052 -4.111 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.501 0.495 -3.972 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.775 -1.724 -3.961 1.00 0.00 C ATOM 0 H VAL A 87 -7.177 -3.407 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.276 -1.098 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.751 -1.395 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.990 0.741 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.504 0.934 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.087 0.894 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.235 -1.404 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.412 -1.435 -4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.655 -2.807 -3.954 1.00 0.00 H new ATOM 689 N TRP A 88 -6.026 0.109 -6.282 1.00 0.00 N ATOM 690 CA TRP A 88 -4.687 0.704 -6.400 1.00 0.00 C ATOM 691 C TRP A 88 -4.427 1.608 -5.197 1.00 0.00 C ATOM 692 O TRP A 88 -5.344 2.235 -4.688 1.00 0.00 O ATOM 693 CB TRP A 88 -4.548 1.463 -7.738 1.00 0.00 C ATOM 694 CG TRP A 88 -4.661 0.524 -8.916 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.798 0.159 -9.582 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.591 -0.213 -9.524 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.497 -0.752 -10.556 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.153 -0.997 -10.541 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.210 -0.278 -9.305 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.389 -1.852 -11.332 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.451 -1.126 -10.089 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.043 -1.899 -11.098 1.00 0.00 C ATOM 0 H TRP A 88 -6.738 0.568 -6.849 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.933 -0.083 -6.402 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.320 2.229 -7.806 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.587 1.976 -7.770 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.788 0.535 -9.370 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.169 -1.181 -11.193 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.746 0.324 -8.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.844 -2.456 -12.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.386 -1.194 -9.922 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.423 -2.545 -11.702 1.00 0.00 H new ATOM 713 N VAL A 89 -3.184 1.632 -4.728 1.00 0.00 N ATOM 714 CA VAL A 89 -2.786 2.343 -3.524 1.00 0.00 C ATOM 715 C VAL A 89 -1.530 3.159 -3.828 1.00 0.00 C ATOM 716 O VAL A 89 -0.490 2.605 -4.203 1.00 0.00 O ATOM 717 CB VAL A 89 -2.524 1.368 -2.307 1.00 0.00 C ATOM 718 CG1 VAL A 89 -2.070 2.154 -1.048 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.780 0.512 -1.997 1.00 0.00 C ATOM 0 H VAL A 89 -2.412 1.147 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.605 2.999 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.717 0.693 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.897 1.458 -0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.148 2.692 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.846 2.865 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.571 -0.149 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.614 1.167 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.039 -0.085 -2.872 1.00 0.00 H new ATOM 729 N LEU A 90 -1.657 4.482 -3.689 1.00 0.00 N ATOM 730 CA LEU A 90 -0.539 5.406 -3.783 1.00 0.00 C ATOM 731 C LEU A 90 -0.039 5.677 -2.358 1.00 0.00 C ATOM 732 O LEU A 90 -0.596 6.518 -1.637 1.00 0.00 O ATOM 733 CB LEU A 90 -0.967 6.714 -4.504 1.00 0.00 C ATOM 734 CG LEU A 90 0.143 7.794 -4.699 1.00 0.00 C ATOM 735 CD1 LEU A 90 1.316 7.242 -5.542 1.00 0.00 C ATOM 736 CD2 LEU A 90 -0.454 9.076 -5.330 1.00 0.00 C ATOM 0 H LEU A 90 -2.550 4.939 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 90 0.268 4.976 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.363 6.450 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.785 7.163 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 90 0.543 8.056 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.074 8.016 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.753 6.381 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.949 6.940 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.333 9.819 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.889 8.836 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.228 9.477 -4.675 1.00 0.00 H new ATOM 748 N TYR A 91 0.958 4.892 -1.934 1.00 0.00 N ATOM 749 CA TYR A 91 1.665 5.119 -0.671 1.00 0.00 C ATOM 750 C TYR A 91 2.789 6.131 -0.915 1.00 0.00 C ATOM 751 O TYR A 91 3.719 5.836 -1.642 1.00 0.00 O ATOM 752 CB TYR A 91 2.244 3.791 -0.094 1.00 0.00 C ATOM 753 CG TYR A 91 3.207 4.005 1.095 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.759 4.595 2.279 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.562 3.656 1.020 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.617 4.834 3.330 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.418 3.883 2.078 1.00 0.00 C ATOM 758 CZ TYR A 91 4.940 4.473 3.230 1.00 0.00 C ATOM 759 OH TYR A 91 5.792 4.709 4.283 1.00 0.00 O ATOM 0 H TYR A 91 1.296 4.084 -2.456 1.00 0.00 H new ATOM 0 HA TYR A 91 0.962 5.510 0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.420 3.153 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.770 3.258 -0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.719 4.869 2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.943 3.201 0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.251 5.304 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.458 3.600 2.005 1.00 0.00 H new ATOM 0 HH TYR A 91 6.709 4.485 4.019 1.00 0.00 H new ATOM 769 N LYS A 92 2.686 7.324 -0.329 1.00 0.00 N ATOM 770 CA LYS A 92 3.766 8.321 -0.357 1.00 0.00 C ATOM 771 C LYS A 92 4.346 8.473 1.055 1.00 0.00 C ATOM 772 O LYS A 92 3.619 8.766 2.013 1.00 0.00 O ATOM 773 CB LYS A 92 3.251 9.658 -0.935 1.00 0.00 C ATOM 774 CG LYS A 92 2.887 9.573 -2.441 1.00 0.00 C ATOM 775 CD LYS A 92 2.340 10.902 -3.005 1.00 0.00 C ATOM 776 CE LYS A 92 1.002 11.306 -2.364 1.00 0.00 C ATOM 777 NZ LYS A 92 0.569 12.656 -2.789 1.00 0.00 N ATOM 0 H LYS A 92 1.855 7.630 0.178 1.00 0.00 H new ATOM 0 HA LYS A 92 4.569 7.988 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.373 9.975 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.013 10.425 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.772 9.281 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.143 8.790 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.072 11.692 -2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.210 10.809 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.237 10.578 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.098 11.281 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.337 12.889 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.287 13.355 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.452 12.674 -3.822 1.00 0.00 H new ATOM 791 N GLY A 93 5.658 8.244 1.154 1.00 0.00 N ATOM 792 CA GLY A 93 6.385 8.179 2.419 1.00 0.00 C ATOM 793 C GLY A 93 7.549 7.204 2.302 1.00 0.00 C ATOM 794 O GLY A 93 7.653 6.498 1.288 1.00 0.00 O ATOM 0 H GLY A 93 6.254 8.096 0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.755 9.169 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.714 7.863 3.218 1.00 0.00 H new ATOM 798 N ALA A 94 8.411 7.146 3.335 1.00 0.00 N ATOM 799 CA ALA A 94 9.609 6.279 3.335 1.00 0.00 C ATOM 800 C ALA A 94 9.218 4.796 3.129 1.00 0.00 C ATOM 801 O ALA A 94 8.550 4.206 3.984 1.00 0.00 O ATOM 802 CB ALA A 94 10.394 6.455 4.646 1.00 0.00 C ATOM 0 H ALA A 94 8.300 7.694 4.188 1.00 0.00 H new ATOM 0 HA ALA A 94 10.248 6.577 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.273 5.811 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.707 7.494 4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.759 6.184 5.490 1.00 0.00 H new ATOM 808 N VAL A 95 9.620 4.221 1.982 1.00 0.00 N ATOM 809 CA VAL A 95 9.253 2.848 1.604 1.00 0.00 C ATOM 810 C VAL A 95 10.135 1.859 2.391 1.00 0.00 C ATOM 811 O VAL A 95 11.368 1.947 2.304 1.00 0.00 O ATOM 812 CB VAL A 95 9.417 2.602 0.055 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.955 1.178 -0.351 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.655 3.671 -0.761 1.00 0.00 C ATOM 0 H VAL A 95 10.206 4.694 1.294 1.00 0.00 H new ATOM 0 HA VAL A 95 8.202 2.694 1.848 1.00 0.00 H new ATOM 0 HB VAL A 95 10.479 2.686 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.083 1.046 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.553 0.437 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.904 1.049 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.785 3.477 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.595 3.631 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.047 4.659 -0.522 1.00 0.00 H new ATOM 824 N PRO A 96 9.514 0.949 3.217 1.00 0.00 N ATOM 825 CA PRO A 96 10.258 -0.045 4.020 1.00 0.00 C ATOM 826 C PRO A 96 11.178 -0.963 3.178 1.00 0.00 C ATOM 827 O PRO A 96 10.860 -1.296 2.030 1.00 0.00 O ATOM 828 CB PRO A 96 9.137 -0.874 4.711 1.00 0.00 C ATOM 829 CG PRO A 96 7.950 0.037 4.725 1.00 0.00 C ATOM 830 CD PRO A 96 8.044 0.842 3.451 1.00 0.00 C ATOM 0 HA PRO A 96 10.939 0.445 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.926 -1.792 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.425 -1.166 5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.020 -0.531 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.963 0.686 5.601 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.541 0.343 2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.582 1.823 3.561 1.00 0.00 H new ATOM 838 N ASP A 97 12.319 -1.345 3.768 1.00 0.00 N ATOM 839 CA ASP A 97 13.216 -2.386 3.221 1.00 0.00 C ATOM 840 C ASP A 97 12.505 -3.756 3.246 1.00 0.00 C ATOM 841 O ASP A 97 12.790 -4.643 2.432 1.00 0.00 O ATOM 842 CB ASP A 97 14.526 -2.455 4.053 1.00 0.00 C ATOM 843 CG ASP A 97 15.239 -1.094 4.168 1.00 0.00 C ATOM 844 OD1 ASP A 97 14.898 -0.307 5.075 1.00 0.00 O ATOM 845 OD2 ASP A 97 16.133 -0.799 3.350 1.00 0.00 O ATOM 0 H ASP A 97 12.652 -0.941 4.643 1.00 0.00 H new ATOM 0 HA ASP A 97 13.466 -2.131 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.296 -2.824 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.203 -3.176 3.595 1.00 0.00 H new ATOM 850 N THR A 98 11.568 -3.893 4.205 1.00 0.00 N ATOM 851 CA THR A 98 10.707 -5.075 4.381 1.00 0.00 C ATOM 852 C THR A 98 9.522 -5.096 3.375 1.00 0.00 C ATOM 853 O THR A 98 8.782 -6.088 3.313 1.00 0.00 O ATOM 854 CB THR A 98 10.171 -5.119 5.848 1.00 0.00 C ATOM 855 OG1 THR A 98 9.662 -3.827 6.214 1.00 0.00 O ATOM 856 CG2 THR A 98 11.259 -5.535 6.850 1.00 0.00 C ATOM 0 H THR A 98 11.386 -3.165 4.895 1.00 0.00 H new ATOM 0 HA THR A 98 11.312 -5.959 4.181 1.00 0.00 H new ATOM 0 HB THR A 98 9.378 -5.866 5.884 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.748 -3.920 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.840 -5.551 7.856 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.628 -6.528 6.594 1.00 0.00 H new ATOM 0 HG23 THR A 98 12.082 -4.821 6.811 1.00 0.00 H new ATOM 864 N PHE A 99 9.337 -3.998 2.607 1.00 0.00 N ATOM 865 CA PHE A 99 8.353 -3.949 1.500 1.00 0.00 C ATOM 866 C PHE A 99 8.892 -4.729 0.288 1.00 0.00 C ATOM 867 O PHE A 99 10.094 -4.678 -0.014 1.00 0.00 O ATOM 868 CB PHE A 99 8.023 -2.484 1.108 1.00 0.00 C ATOM 869 CG PHE A 99 7.034 -2.341 -0.057 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.669 -2.518 0.140 1.00 0.00 C ATOM 871 CD2 PHE A 99 7.472 -2.039 -1.347 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.777 -2.409 -0.911 1.00 0.00 C ATOM 873 CE2 PHE A 99 6.579 -1.933 -2.394 1.00 0.00 C ATOM 874 CZ PHE A 99 5.228 -2.110 -2.174 1.00 0.00 C ATOM 0 H PHE A 99 9.858 -3.131 2.734 1.00 0.00 H new ATOM 0 HA PHE A 99 7.428 -4.415 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.614 -1.972 1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.950 -1.975 0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.300 -2.744 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.526 -1.886 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.722 -2.559 -0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.938 -1.711 -3.388 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.528 -2.014 -2.991 1.00 0.00 H new ATOM 884 N LYS A 100 7.991 -5.459 -0.381 1.00 0.00 N ATOM 885 CA LYS A 100 8.306 -6.264 -1.569 1.00 0.00 C ATOM 886 C LYS A 100 7.001 -6.598 -2.335 1.00 0.00 C ATOM 887 O LYS A 100 5.907 -6.479 -1.767 1.00 0.00 O ATOM 888 CB LYS A 100 9.033 -7.574 -1.132 1.00 0.00 C ATOM 889 CG LYS A 100 8.208 -8.435 -0.155 1.00 0.00 C ATOM 890 CD LYS A 100 8.916 -9.728 0.277 1.00 0.00 C ATOM 891 CE LYS A 100 8.076 -10.551 1.273 1.00 0.00 C ATOM 892 NZ LYS A 100 8.728 -11.835 1.619 1.00 0.00 N ATOM 0 H LYS A 100 7.009 -5.508 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 100 8.963 -5.700 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.265 -8.165 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.983 -7.315 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.978 -7.844 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.258 -8.691 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.129 -10.335 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.875 -9.480 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.917 -9.969 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.094 -10.747 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.131 -12.358 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.857 -12.402 0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.655 -11.648 2.053 1.00 0.00 H new ATOM 906 N PRO A 101 7.081 -6.995 -3.640 1.00 0.00 N ATOM 907 CA PRO A 101 5.924 -7.584 -4.357 1.00 0.00 C ATOM 908 C PRO A 101 5.490 -8.930 -3.726 1.00 0.00 C ATOM 909 O PRO A 101 6.125 -9.965 -3.945 1.00 0.00 O ATOM 910 CB PRO A 101 6.450 -7.742 -5.815 1.00 0.00 C ATOM 911 CG PRO A 101 7.943 -7.764 -5.690 1.00 0.00 C ATOM 912 CD PRO A 101 8.260 -6.838 -4.541 1.00 0.00 C ATOM 0 HA PRO A 101 5.026 -6.969 -4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.079 -8.660 -6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.119 -6.917 -6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.306 -8.773 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.420 -7.427 -6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.188 -7.118 -4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.377 -5.807 -4.875 1.00 0.00 H new ATOM 920 N GLY A 102 4.422 -8.892 -2.906 1.00 0.00 N ATOM 921 CA GLY A 102 3.937 -10.083 -2.199 1.00 0.00 C ATOM 922 C GLY A 102 3.862 -9.925 -0.685 1.00 0.00 C ATOM 923 O GLY A 102 3.333 -10.816 -0.013 1.00 0.00 O ATOM 0 H GLY A 102 3.882 -8.047 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.946 -10.337 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.592 -10.922 -2.433 1.00 0.00 H new ATOM 927 N VAL A 103 4.396 -8.817 -0.124 1.00 0.00 N ATOM 928 CA VAL A 103 4.340 -8.583 1.345 1.00 0.00 C ATOM 929 C VAL A 103 2.904 -8.242 1.799 1.00 0.00 C ATOM 930 O VAL A 103 2.228 -7.425 1.172 1.00 0.00 O ATOM 931 CB VAL A 103 5.331 -7.445 1.815 1.00 0.00 C ATOM 932 CG1 VAL A 103 4.970 -6.060 1.237 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.436 -7.382 3.357 1.00 0.00 C ATOM 0 H VAL A 103 4.864 -8.080 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 103 4.655 -9.514 1.815 1.00 0.00 H new ATOM 0 HB VAL A 103 6.308 -7.714 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.685 -5.319 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.003 -6.100 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.967 -5.781 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.126 -6.588 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.453 -7.178 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.803 -8.336 3.736 1.00 0.00 H new ATOM 943 N GLU A 104 2.438 -8.895 2.873 1.00 0.00 N ATOM 944 CA GLU A 104 1.168 -8.542 3.521 1.00 0.00 C ATOM 945 C GLU A 104 1.346 -7.222 4.278 1.00 0.00 C ATOM 946 O GLU A 104 2.271 -7.094 5.076 1.00 0.00 O ATOM 947 CB GLU A 104 0.708 -9.666 4.476 1.00 0.00 C ATOM 948 CG GLU A 104 0.495 -11.031 3.788 1.00 0.00 C ATOM 949 CD GLU A 104 -0.148 -12.064 4.715 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.361 -11.941 4.987 1.00 0.00 O ATOM 951 OE2 GLU A 104 0.549 -12.985 5.204 1.00 0.00 O ATOM 0 H GLU A 104 2.926 -9.675 3.313 1.00 0.00 H new ATOM 0 HA GLU A 104 0.395 -8.422 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.449 -9.782 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.224 -9.363 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.135 -10.896 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.455 -11.411 3.438 1.00 0.00 H new ATOM 958 N VAL A 105 0.489 -6.235 3.994 1.00 0.00 N ATOM 959 CA VAL A 105 0.583 -4.902 4.606 1.00 0.00 C ATOM 960 C VAL A 105 -0.748 -4.465 5.220 1.00 0.00 C ATOM 961 O VAL A 105 -1.832 -4.934 4.838 1.00 0.00 O ATOM 962 CB VAL A 105 1.072 -3.795 3.593 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.506 -4.071 3.088 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.092 -3.630 2.409 1.00 0.00 C ATOM 0 H VAL A 105 -0.285 -6.335 3.338 1.00 0.00 H new ATOM 0 HA VAL A 105 1.331 -4.998 5.393 1.00 0.00 H new ATOM 0 HB VAL A 105 1.091 -2.854 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.804 -3.286 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.193 -4.087 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.534 -5.035 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.463 -2.859 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.009 -4.574 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.889 -3.340 2.786 1.00 0.00 H new ATOM 974 N ILE A 106 -0.626 -3.565 6.193 1.00 0.00 N ATOM 975 CA ILE A 106 -1.728 -2.844 6.800 1.00 0.00 C ATOM 976 C ILE A 106 -1.523 -1.374 6.435 1.00 0.00 C ATOM 977 O ILE A 106 -0.584 -0.738 6.922 1.00 0.00 O ATOM 978 CB ILE A 106 -1.715 -3.032 8.364 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.713 -4.546 8.747 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.895 -2.287 9.029 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.550 -4.828 10.236 1.00 0.00 C ATOM 0 H ILE A 106 0.279 -3.313 6.591 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.690 -3.212 6.443 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.793 -2.591 8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.647 -4.994 8.407 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.906 -5.042 8.207 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.858 -2.436 10.108 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.824 -1.222 8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.836 -2.677 8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.560 -5.905 10.406 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.603 -4.415 10.583 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.370 -4.366 10.786 1.00 0.00 H new ATOM 993 N ILE A 107 -2.358 -0.846 5.535 1.00 0.00 N ATOM 994 CA ILE A 107 -2.239 0.550 5.082 1.00 0.00 C ATOM 995 C ILE A 107 -3.224 1.419 5.861 1.00 0.00 C ATOM 996 O ILE A 107 -4.228 0.921 6.382 1.00 0.00 O ATOM 997 CB ILE A 107 -2.496 0.707 3.527 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.970 0.372 3.147 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.515 -0.171 2.714 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.318 0.538 1.677 1.00 0.00 C ATOM 0 H ILE A 107 -3.125 -1.362 5.104 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.215 0.873 5.271 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.319 1.753 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.177 -0.658 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.632 1.008 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.712 -0.046 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.491 0.131 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.651 -1.217 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.365 0.280 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.150 1.573 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.688 -0.119 1.078 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.918 2.708 5.963 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.784 3.692 6.607 1.00 0.00 C ATOM 1014 C GLU A 108 -3.679 5.010 5.845 1.00 0.00 C ATOM 1015 O GLU A 108 -2.582 5.401 5.446 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.377 3.883 8.090 1.00 0.00 C ATOM 1017 CG GLU A 108 -4.201 4.940 8.835 1.00 0.00 C ATOM 1018 CD GLU A 108 -3.734 5.188 10.274 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -2.606 5.686 10.458 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -4.487 4.892 11.228 1.00 0.00 O ATOM 0 H GLU A 108 -2.052 3.104 5.597 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.816 3.342 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.476 2.929 8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.324 4.162 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.156 5.878 8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.245 4.628 8.851 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.823 5.677 5.642 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.856 6.956 4.948 1.00 0.00 C ATOM 1029 C GLY A 109 -6.271 7.409 4.676 1.00 0.00 C ATOM 1030 O GLY A 109 -7.082 7.458 5.606 1.00 0.00 O ATOM 0 H GLY A 109 -5.736 5.345 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.342 7.708 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.313 6.873 4.006 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.575 7.732 3.411 1.00 0.00 N ATOM 1035 CA GLY A 110 -7.901 8.191 3.019 1.00 0.00 C ATOM 1036 C GLY A 110 -8.196 7.929 1.548 1.00 0.00 C ATOM 1037 O GLY A 110 -7.272 7.859 0.719 1.00 0.00 O ATOM 0 H GLY A 110 -5.909 7.681 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.651 7.691 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.986 9.259 3.219 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.489 7.782 1.233 1.00 0.00 N ATOM 1042 CA LEU A 111 -9.998 7.605 -0.137 1.00 0.00 C ATOM 1043 C LEU A 111 -11.019 8.712 -0.430 1.00 0.00 C ATOM 1044 O LEU A 111 -11.814 9.079 0.447 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.663 6.205 -0.286 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.258 5.857 -1.693 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.173 5.882 -2.784 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.980 4.493 -1.674 1.00 0.00 C ATOM 0 H LEU A 111 -10.228 7.782 1.937 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.174 7.668 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.922 5.447 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.463 6.128 0.451 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.993 6.626 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.620 5.636 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.729 6.876 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.400 5.151 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.382 4.280 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.274 3.711 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.795 4.523 -0.951 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.978 9.252 -1.652 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.968 10.245 -2.111 1.00 0.00 C ATOM 1062 C ALA A 112 -13.240 9.516 -2.608 1.00 0.00 C ATOM 1063 O ALA A 112 -13.122 8.483 -3.274 1.00 0.00 O ATOM 1064 CB ALA A 112 -11.367 11.148 -3.200 1.00 0.00 C ATOM 0 H ALA A 112 -10.269 9.020 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.247 10.890 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.114 11.873 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.501 11.674 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.060 10.538 -4.050 1.00 0.00 H new ATOM 1070 N PRO A 113 -14.475 10.001 -2.238 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.749 9.382 -2.694 1.00 0.00 C ATOM 1072 C PRO A 113 -15.883 9.324 -4.237 1.00 0.00 C ATOM 1073 O PRO A 113 -16.037 10.361 -4.897 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.841 10.283 -2.050 1.00 0.00 C ATOM 1075 CG PRO A 113 -16.164 10.899 -0.865 1.00 0.00 C ATOM 1076 CD PRO A 113 -14.734 11.138 -1.301 1.00 0.00 C ATOM 0 HA PRO A 113 -15.823 8.337 -2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.191 11.044 -2.748 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.712 9.700 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.648 11.832 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -16.206 10.237 0.000 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.618 12.103 -1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.047 11.129 -0.455 1.00 0.00 H new ATOM 1084 N GLY A 114 -15.800 8.101 -4.796 1.00 0.00 N ATOM 1085 CA GLY A 114 -15.900 7.878 -6.250 1.00 0.00 C ATOM 1086 C GLY A 114 -14.546 7.680 -6.918 1.00 0.00 C ATOM 1087 O GLY A 114 -14.465 7.596 -8.146 1.00 0.00 O ATOM 0 H GLY A 114 -15.663 7.246 -4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.522 7.002 -6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.404 8.729 -6.708 1.00 0.00 H new ATOM 1091 N GLU A 115 -13.484 7.614 -6.110 1.00 0.00 N ATOM 1092 CA GLU A 115 -12.113 7.379 -6.586 1.00 0.00 C ATOM 1093 C GLU A 115 -11.767 5.881 -6.459 1.00 0.00 C ATOM 1094 O GLU A 115 -12.302 5.191 -5.586 1.00 0.00 O ATOM 1095 CB GLU A 115 -11.147 8.261 -5.760 1.00 0.00 C ATOM 1096 CG GLU A 115 -9.658 8.168 -6.142 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.744 9.010 -5.244 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -8.938 8.998 -4.009 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -7.803 9.654 -5.757 1.00 0.00 O ATOM 0 H GLU A 115 -13.550 7.723 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.019 7.649 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.463 9.300 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.250 7.992 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.343 7.126 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.535 8.490 -7.176 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.843 5.398 -7.314 1.00 0.00 N ATOM 1107 CA ASP A 116 -10.499 3.954 -7.449 1.00 0.00 C ATOM 1108 C ASP A 116 -9.123 3.649 -6.830 1.00 0.00 C ATOM 1109 O ASP A 116 -8.666 2.496 -6.850 1.00 0.00 O ATOM 1110 CB ASP A 116 -10.488 3.553 -8.952 1.00 0.00 C ATOM 1111 CG ASP A 116 -11.828 3.823 -9.656 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -12.723 2.955 -9.614 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -11.996 4.917 -10.248 1.00 0.00 O ATOM 0 H ASP A 116 -10.306 5.999 -7.939 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.254 3.376 -6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.698 4.103 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.246 2.494 -9.038 1.00 0.00 H new ATOM 1118 N THR A 117 -8.460 4.677 -6.267 1.00 0.00 N ATOM 1119 CA THR A 117 -7.090 4.557 -5.764 1.00 0.00 C ATOM 1120 C THR A 117 -6.969 5.206 -4.365 1.00 0.00 C ATOM 1121 O THR A 117 -7.243 6.393 -4.182 1.00 0.00 O ATOM 1122 CB THR A 117 -6.030 5.123 -6.774 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.706 4.920 -6.249 1.00 0.00 O ATOM 1124 CG2 THR A 117 -6.224 6.612 -7.101 1.00 0.00 C ATOM 0 H THR A 117 -8.862 5.607 -6.151 1.00 0.00 H new ATOM 0 HA THR A 117 -6.866 3.495 -5.662 1.00 0.00 H new ATOM 0 HB THR A 117 -6.169 4.576 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.046 5.272 -6.882 1.00 0.00 H new ATOM 0 HG21 THR A 117 -5.456 6.933 -7.804 1.00 0.00 H new ATOM 0 HG22 THR A 117 -7.208 6.762 -7.545 1.00 0.00 H new ATOM 0 HG23 THR A 117 -6.146 7.199 -6.186 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.586 4.394 -3.378 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.451 4.796 -1.971 1.00 0.00 C ATOM 1134 C PHE A 118 -5.065 5.429 -1.727 1.00 0.00 C ATOM 1135 O PHE A 118 -4.066 4.879 -2.164 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.635 3.533 -1.089 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.662 3.801 0.413 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -7.862 4.053 1.064 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -5.494 3.769 1.175 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -7.891 4.292 2.416 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -5.527 4.006 2.529 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.727 4.252 3.149 1.00 0.00 C ATOM 0 H PHE A 118 -6.355 3.413 -3.536 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.206 5.540 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.565 3.041 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.826 2.835 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -8.783 4.061 0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.551 3.555 0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -8.829 4.512 2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -4.612 3.999 3.103 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.758 4.415 4.216 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.005 6.569 -1.016 1.00 0.00 N ATOM 1153 CA LYS A 119 -3.715 7.188 -0.613 1.00 0.00 C ATOM 1154 C LYS A 119 -3.354 6.736 0.803 1.00 0.00 C ATOM 1155 O LYS A 119 -4.033 7.115 1.762 1.00 0.00 O ATOM 1156 CB LYS A 119 -3.782 8.741 -0.689 1.00 0.00 C ATOM 1157 CG LYS A 119 -3.586 9.330 -2.115 1.00 0.00 C ATOM 1158 CD LYS A 119 -4.540 10.501 -2.433 1.00 0.00 C ATOM 1159 CE LYS A 119 -6.007 10.050 -2.434 1.00 0.00 C ATOM 1160 NZ LYS A 119 -6.227 8.910 -3.369 1.00 0.00 N ATOM 0 H LYS A 119 -5.829 7.085 -0.706 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.941 6.860 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.748 9.069 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.019 9.157 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.556 9.672 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.736 8.539 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.403 11.293 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.288 10.923 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.299 9.757 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.646 10.886 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.246 8.718 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.846 9.151 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.743 8.064 -3.005 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.296 5.921 0.919 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.787 5.447 2.210 1.00 0.00 C ATOM 1176 C ALA A 120 -0.720 6.424 2.725 1.00 0.00 C ATOM 1177 O ALA A 120 0.313 6.622 2.072 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.215 4.023 2.083 1.00 0.00 C ATOM 0 H ALA A 120 -1.770 5.572 0.118 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.608 5.407 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.843 3.692 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.998 3.345 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.398 4.022 1.362 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.001 7.061 3.872 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.031 7.922 4.575 1.00 0.00 C ATOM 1186 C ARG A 121 0.976 7.075 5.375 1.00 0.00 C ATOM 1187 O ARG A 121 2.087 7.529 5.651 1.00 0.00 O ATOM 1188 CB ARG A 121 -0.772 8.987 5.460 1.00 0.00 C ATOM 1189 CG ARG A 121 -1.907 8.468 6.399 1.00 0.00 C ATOM 1190 CD ARG A 121 -1.420 7.926 7.751 1.00 0.00 C ATOM 1191 NE ARG A 121 -0.747 8.974 8.539 1.00 0.00 N ATOM 1192 CZ ARG A 121 -0.454 8.902 9.841 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -0.733 7.816 10.542 1.00 0.00 N ATOM 1194 NH2 ARG A 121 0.134 9.922 10.434 1.00 0.00 N ATOM 0 H ARG A 121 -1.905 6.995 4.340 1.00 0.00 H new ATOM 0 HA ARG A 121 0.548 8.477 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.028 9.491 6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.199 9.739 4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.611 9.281 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.456 7.680 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.267 7.533 8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.734 7.095 7.586 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.482 9.828 8.048 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.178 7.017 10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.503 7.777 11.535 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.363 10.760 9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.360 9.873 11.427 1.00 0.00 H new ATOM 1208 N THR A 122 0.581 5.834 5.725 1.00 0.00 N ATOM 1209 CA THR A 122 1.440 4.867 6.441 1.00 0.00 C ATOM 1210 C THR A 122 1.275 3.461 5.831 1.00 0.00 C ATOM 1211 O THR A 122 0.215 3.124 5.278 1.00 0.00 O ATOM 1212 CB THR A 122 1.140 4.827 7.986 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.274 4.839 8.210 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.796 5.995 8.747 1.00 0.00 C ATOM 0 H THR A 122 -0.350 5.471 5.518 1.00 0.00 H new ATOM 0 HA THR A 122 2.471 5.200 6.322 1.00 0.00 H new ATOM 0 HB THR A 122 1.573 3.904 8.372 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.453 4.812 9.173 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.557 5.918 9.808 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.877 5.954 8.615 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.419 6.941 8.357 1.00 0.00 H new ATOM 1222 N LEU A 123 2.345 2.653 5.951 1.00 0.00 N ATOM 1223 CA LEU A 123 2.434 1.294 5.393 1.00 0.00 C ATOM 1224 C LEU A 123 3.070 0.385 6.446 1.00 0.00 C ATOM 1225 O LEU A 123 4.184 0.664 6.904 1.00 0.00 O ATOM 1226 CB LEU A 123 3.316 1.309 4.118 1.00 0.00 C ATOM 1227 CG LEU A 123 3.410 -0.018 3.303 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.103 -0.285 2.532 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.630 -0.005 2.361 1.00 0.00 C ATOM 0 H LEU A 123 3.189 2.935 6.450 1.00 0.00 H new ATOM 0 HA LEU A 123 1.441 0.930 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.939 2.087 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.326 1.600 4.408 1.00 0.00 H new ATOM 0 HG LEU A 123 3.550 -0.838 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.195 -1.216 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.275 -0.365 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.914 0.537 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.671 -0.942 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.542 0.827 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.542 0.109 2.948 1.00 0.00 H new ATOM 1241 N MET A 124 2.380 -0.696 6.821 1.00 0.00 N ATOM 1242 CA MET A 124 2.835 -1.600 7.895 1.00 0.00 C ATOM 1243 C MET A 124 3.036 -3.023 7.345 1.00 0.00 C ATOM 1244 O MET A 124 2.086 -3.801 7.252 1.00 0.00 O ATOM 1245 CB MET A 124 1.792 -1.569 9.043 1.00 0.00 C ATOM 1246 CG MET A 124 2.139 -2.381 10.292 1.00 0.00 C ATOM 1247 SD MET A 124 0.818 -2.316 11.526 1.00 0.00 S ATOM 1248 CE MET A 124 0.616 -0.544 11.754 1.00 0.00 C ATOM 0 H MET A 124 1.495 -0.973 6.395 1.00 0.00 H new ATOM 0 HA MET A 124 3.797 -1.269 8.286 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.640 -0.531 9.340 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.841 -1.931 8.652 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.323 -3.418 10.011 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.062 -2.000 10.728 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.117 -0.354 12.704 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.594 -0.063 11.755 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.014 -0.139 10.941 1.00 0.00 H new ATOM 1258 N THR A 125 4.284 -3.340 6.969 1.00 0.00 N ATOM 1259 CA THR A 125 4.647 -4.641 6.387 1.00 0.00 C ATOM 1260 C THR A 125 4.687 -5.729 7.481 1.00 0.00 C ATOM 1261 O THR A 125 5.220 -5.499 8.570 1.00 0.00 O ATOM 1262 CB THR A 125 6.028 -4.545 5.673 1.00 0.00 C ATOM 1263 OG1 THR A 125 7.021 -4.142 6.616 1.00 0.00 O ATOM 1264 CG2 THR A 125 6.007 -3.540 4.504 1.00 0.00 C ATOM 0 H THR A 125 5.072 -2.699 7.060 1.00 0.00 H new ATOM 0 HA THR A 125 3.890 -4.915 5.652 1.00 0.00 H new ATOM 0 HB THR A 125 6.259 -5.529 5.266 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.703 -4.326 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.991 -3.506 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.266 -3.853 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.750 -2.550 4.880 1.00 0.00 H new ATOM 1272 N LYS A 126 4.145 -6.915 7.177 1.00 0.00 N ATOM 1273 CA LYS A 126 3.976 -8.016 8.144 1.00 0.00 C ATOM 1274 C LYS A 126 5.160 -8.998 8.069 1.00 0.00 C ATOM 1275 O LYS A 126 5.331 -9.836 8.957 1.00 0.00 O ATOM 1276 CB LYS A 126 2.602 -8.724 7.869 1.00 0.00 C ATOM 1277 CG LYS A 126 2.179 -9.832 8.870 1.00 0.00 C ATOM 1278 CD LYS A 126 2.198 -9.359 10.348 1.00 0.00 C ATOM 1279 CE LYS A 126 1.245 -8.182 10.638 1.00 0.00 C ATOM 1280 NZ LYS A 126 1.441 -7.651 12.009 1.00 0.00 N ATOM 0 H LYS A 126 3.806 -7.143 6.242 1.00 0.00 H new ATOM 0 HA LYS A 126 3.967 -7.621 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.823 -7.962 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 126 2.638 -9.162 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.176 -10.177 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 126 2.847 -10.687 8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.931 -10.197 10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 126 3.214 -9.065 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.414 -7.388 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.212 -8.510 10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.785 -6.861 12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.256 -8.404 12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 2.420 -7.316 12.115 1.00 0.00 H new ATOM 1294 N CYS A 127 5.978 -8.889 7.007 1.00 0.00 N ATOM 1295 CA CYS A 127 7.183 -9.716 6.833 1.00 0.00 C ATOM 1296 C CYS A 127 8.407 -9.040 7.508 1.00 0.00 C ATOM 1297 O CYS A 127 8.903 -8.029 6.991 1.00 0.00 O ATOM 1298 CB CYS A 127 7.444 -9.924 5.330 1.00 0.00 C ATOM 1299 SG CYS A 127 6.072 -10.698 4.445 1.00 0.00 S ATOM 0 H CYS A 127 5.822 -8.226 6.247 1.00 0.00 H new ATOM 0 HA CYS A 127 7.027 -10.684 7.308 1.00 0.00 H new ATOM 0 HB2 CYS A 127 7.659 -8.958 4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 127 8.335 -10.540 5.208 1.00 0.00 H new ATOM 0 HG CYS A 127 6.535 -11.389 3.446 1.00 0.00 H new ATOM 1305 N PRO A 128 8.891 -9.551 8.689 1.00 0.00 N ATOM 1306 CA PRO A 128 10.085 -9.016 9.368 1.00 0.00 C ATOM 1307 C PRO A 128 11.375 -9.607 8.770 1.00 0.00 C ATOM 1308 O PRO A 128 11.861 -10.654 9.218 1.00 0.00 O ATOM 1309 CB PRO A 128 9.875 -9.427 10.866 1.00 0.00 C ATOM 1310 CG PRO A 128 8.589 -10.221 10.890 1.00 0.00 C ATOM 1311 CD PRO A 128 8.329 -10.672 9.473 1.00 0.00 C ATOM 0 HA PRO A 128 10.198 -7.938 9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.711 -10.023 11.230 1.00 0.00 H new ATOM 0 HB3 PRO A 128 9.806 -8.549 11.508 1.00 0.00 H new ATOM 0 HG2 PRO A 128 8.676 -11.077 11.559 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.765 -9.611 11.259 1.00 0.00 H new ATOM 0 HD2 PRO A 128 8.824 -11.617 9.248 1.00 0.00 H new ATOM 0 HD3 PRO A 128 7.266 -10.814 9.278 1.00 0.00 H new ATOM 1319 N LEU A 129 11.866 -8.959 7.705 1.00 0.00 N ATOM 1320 CA LEU A 129 13.124 -9.331 7.029 1.00 0.00 C ATOM 1321 C LEU A 129 14.292 -9.153 8.024 1.00 0.00 C ATOM 1322 O LEU A 129 14.611 -8.026 8.422 1.00 0.00 O ATOM 1323 CB LEU A 129 13.298 -8.466 5.738 1.00 0.00 C ATOM 1324 CG LEU A 129 14.334 -8.930 4.647 1.00 0.00 C ATOM 1325 CD1 LEU A 129 14.189 -8.057 3.383 1.00 0.00 C ATOM 1326 CD2 LEU A 129 15.805 -8.901 5.143 1.00 0.00 C ATOM 0 H LEU A 129 11.401 -8.156 7.283 1.00 0.00 H new ATOM 0 HA LEU A 129 13.107 -10.375 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.323 -8.392 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 129 13.576 -7.460 6.050 1.00 0.00 H new ATOM 0 HG LEU A 129 14.103 -9.970 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.908 -8.383 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.179 -8.157 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 129 14.377 -7.014 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 129 16.466 -9.232 4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 129 16.070 -7.885 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 129 15.913 -9.565 6.000 1.00 0.00 H new ATOM 1338 N GLU A 130 14.892 -10.280 8.435 1.00 0.00 N ATOM 1339 CA GLU A 130 15.988 -10.301 9.406 1.00 0.00 C ATOM 1340 C GLU A 130 17.316 -9.916 8.708 1.00 0.00 C ATOM 1341 O GLU A 130 17.827 -10.721 7.898 1.00 0.00 O ATOM 1342 CB GLU A 130 16.078 -11.701 10.069 1.00 0.00 C ATOM 1343 CG GLU A 130 14.804 -12.126 10.832 1.00 0.00 C ATOM 1344 CD GLU A 130 14.892 -13.549 11.408 1.00 0.00 C ATOM 1345 OE1 GLU A 130 15.608 -13.746 12.410 1.00 0.00 O ATOM 1346 OE2 GLU A 130 14.269 -14.485 10.847 1.00 0.00 O ATOM 0 H GLU A 130 14.627 -11.206 8.099 1.00 0.00 H new ATOM 0 HA GLU A 130 15.797 -9.570 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 130 16.290 -12.442 9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 130 16.921 -11.709 10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 130 14.623 -11.422 11.644 1.00 0.00 H new ATOM 0 HG3 GLU A 130 13.948 -12.065 10.160 1.00 0.00 H new TER 1353 GLU A 130