USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=23 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 -32:sc= -0.429 USER MOD Set 1.2: A 125 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 47 GLN : amide:sc= 0.242 K(o=0.5,f=-0.43) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 177:sc= 0.259 (180deg=0) USER MOD Single : A 43 MET CE :methyl -148:sc= -0.156 (180deg=-0.812) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HE2:sc= 0.128 F(o=-0.5,f=0.13) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 161:sc= -0.0453 (180deg=-0.44) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc=-0.00579 (180deg=-0.119) USER MOD Single : A 82 ASN : amide:sc= -0.0568 K(o=-0.057,f=-0.64) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= 0.544 (180deg=0.434) USER MOD Single : A 86 THR OG1 : rot 37:sc= 0.396 USER MOD Single : A 91 TYR OH : rot 173:sc= 0.442 USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0195) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 25:sc= 0.33 USER MOD Single : A 119 LYS NZ :NH3+ -139:sc= 0.911 (180deg=0.0866) USER MOD Single : A 122 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 124 MET CE :methyl 135:sc= -0.377 (180deg=-1.62) USER MOD Single : A 126 LYS NZ :NH3+ 176:sc= 0.436 (180deg=0.421) USER MOD Single : A 127 CYS SG : rot 180:sc= -0.175 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -21.730 15.207 27.875 1.00 0.00 N ATOM 2 CA MET A 43 -22.218 14.740 26.558 1.00 0.00 C ATOM 3 C MET A 43 -21.109 13.975 25.822 1.00 0.00 C ATOM 4 O MET A 43 -19.963 13.917 26.291 1.00 0.00 O ATOM 5 CB MET A 43 -22.723 15.928 25.693 1.00 0.00 C ATOM 6 CG MET A 43 -21.641 16.930 25.258 1.00 0.00 C ATOM 7 SD MET A 43 -22.268 18.147 24.071 1.00 0.00 S ATOM 8 CE MET A 43 -22.725 17.102 22.676 1.00 0.00 C ATOM 0 HA MET A 43 -23.059 14.067 26.727 1.00 0.00 H new ATOM 0 HB2 MET A 43 -23.204 15.528 24.801 1.00 0.00 H new ATOM 0 HB3 MET A 43 -23.488 16.465 26.254 1.00 0.00 H new ATOM 0 HG2 MET A 43 -21.254 17.448 26.136 1.00 0.00 H new ATOM 0 HG3 MET A 43 -20.806 16.389 24.813 1.00 0.00 H new ATOM 0 HE1 MET A 43 -22.578 17.652 21.746 1.00 0.00 H new ATOM 0 HE2 MET A 43 -22.101 16.208 22.671 1.00 0.00 H new ATOM 0 HE3 MET A 43 -23.772 16.813 22.765 1.00 0.00 H new ATOM 20 N ALA A 44 -21.469 13.387 24.669 1.00 0.00 N ATOM 21 CA ALA A 44 -20.515 12.738 23.761 1.00 0.00 C ATOM 22 C ALA A 44 -19.690 13.816 23.036 1.00 0.00 C ATOM 23 O ALA A 44 -20.221 14.535 22.181 1.00 0.00 O ATOM 24 CB ALA A 44 -21.255 11.827 22.761 1.00 0.00 C ATOM 0 H ALA A 44 -22.434 13.350 24.341 1.00 0.00 H new ATOM 0 HA ALA A 44 -19.836 12.107 24.334 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -20.532 11.354 22.096 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -21.804 11.059 23.306 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -21.953 12.423 22.173 1.00 0.00 H new ATOM 30 N THR A 45 -18.406 13.947 23.424 1.00 0.00 N ATOM 31 CA THR A 45 -17.467 14.935 22.865 1.00 0.00 C ATOM 32 C THR A 45 -16.332 14.205 22.088 1.00 0.00 C ATOM 33 O THR A 45 -15.263 13.911 22.644 1.00 0.00 O ATOM 34 CB THR A 45 -16.914 15.890 24.001 1.00 0.00 C ATOM 35 OG1 THR A 45 -15.880 16.748 23.494 1.00 0.00 O ATOM 36 CG2 THR A 45 -16.402 15.129 25.242 1.00 0.00 C ATOM 0 H THR A 45 -17.988 13.360 24.145 1.00 0.00 H new ATOM 0 HA THR A 45 -17.991 15.573 22.154 1.00 0.00 H new ATOM 0 HB THR A 45 -17.763 16.493 24.323 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.555 17.329 24.213 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.037 15.842 25.981 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.216 14.545 25.672 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.591 14.462 24.951 1.00 0.00 H new ATOM 44 N PRO A 46 -16.561 13.855 20.779 1.00 0.00 N ATOM 45 CA PRO A 46 -15.581 13.116 19.961 1.00 0.00 C ATOM 46 C PRO A 46 -14.581 14.052 19.251 1.00 0.00 C ATOM 47 O PRO A 46 -14.857 15.243 19.047 1.00 0.00 O ATOM 48 CB PRO A 46 -16.494 12.380 18.959 1.00 0.00 C ATOM 49 CG PRO A 46 -17.611 13.353 18.697 1.00 0.00 C ATOM 50 CD PRO A 46 -17.790 14.154 19.984 1.00 0.00 C ATOM 0 HA PRO A 46 -14.942 12.453 20.545 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.960 12.130 18.042 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.869 11.445 19.374 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.368 14.009 17.861 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.530 12.829 18.434 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.881 15.221 19.779 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.692 13.853 20.517 1.00 0.00 H new ATOM 58 N GLN A 47 -13.403 13.511 18.919 1.00 0.00 N ATOM 59 CA GLN A 47 -12.372 14.225 18.156 1.00 0.00 C ATOM 60 C GLN A 47 -12.568 13.949 16.655 1.00 0.00 C ATOM 61 O GLN A 47 -12.461 12.801 16.214 1.00 0.00 O ATOM 62 CB GLN A 47 -10.950 13.799 18.627 1.00 0.00 C ATOM 63 CG GLN A 47 -10.635 14.189 20.087 1.00 0.00 C ATOM 64 CD GLN A 47 -9.254 13.716 20.545 1.00 0.00 C ATOM 65 OE1 GLN A 47 -8.257 14.420 20.393 1.00 0.00 O ATOM 66 NE2 GLN A 47 -9.192 12.526 21.114 1.00 0.00 N ATOM 0 H GLN A 47 -13.136 12.560 19.174 1.00 0.00 H new ATOM 0 HA GLN A 47 -12.467 15.297 18.331 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.850 12.719 18.520 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.208 14.255 17.971 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.695 15.273 20.189 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.395 13.765 20.743 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.039 11.969 21.224 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.297 12.164 21.443 1.00 0.00 H new ATOM 75 N ASP A 48 -12.838 15.024 15.879 1.00 0.00 N ATOM 76 CA ASP A 48 -13.020 14.956 14.402 1.00 0.00 C ATOM 77 C ASP A 48 -11.688 14.638 13.681 1.00 0.00 C ATOM 78 O ASP A 48 -11.656 14.497 12.456 1.00 0.00 O ATOM 79 CB ASP A 48 -13.612 16.284 13.856 1.00 0.00 C ATOM 80 CG ASP A 48 -14.991 16.633 14.447 1.00 0.00 C ATOM 81 OD1 ASP A 48 -16.004 16.009 14.046 1.00 0.00 O ATOM 82 OD2 ASP A 48 -15.073 17.534 15.314 1.00 0.00 O ATOM 0 H ASP A 48 -12.937 15.967 16.256 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.721 14.146 14.199 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.918 17.097 14.070 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.698 16.215 12.772 1.00 0.00 H new ATOM 87 N LYS A 49 -10.600 14.558 14.458 1.00 0.00 N ATOM 88 CA LYS A 49 -9.274 14.106 14.003 1.00 0.00 C ATOM 89 C LYS A 49 -9.337 12.675 13.418 1.00 0.00 C ATOM 90 O LYS A 49 -8.731 12.391 12.379 1.00 0.00 O ATOM 91 CB LYS A 49 -8.286 14.121 15.201 1.00 0.00 C ATOM 92 CG LYS A 49 -8.180 15.465 15.945 1.00 0.00 C ATOM 93 CD LYS A 49 -7.288 15.365 17.201 1.00 0.00 C ATOM 94 CE LYS A 49 -7.233 16.677 17.998 1.00 0.00 C ATOM 95 NZ LYS A 49 -6.376 16.554 19.204 1.00 0.00 N ATOM 0 H LYS A 49 -10.616 14.812 15.446 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.934 14.784 13.220 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.590 13.353 15.912 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.296 13.845 14.838 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.774 16.220 15.272 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.177 15.798 16.234 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.663 14.569 17.845 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.278 15.084 16.902 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.851 17.474 17.360 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.241 16.964 18.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.323 17.473 19.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.783 15.847 19.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.420 16.256 18.922 1.00 0.00 H new ATOM 109 N LEU A 50 -10.092 11.794 14.103 1.00 0.00 N ATOM 110 CA LEU A 50 -10.157 10.350 13.794 1.00 0.00 C ATOM 111 C LEU A 50 -11.068 10.065 12.577 1.00 0.00 C ATOM 112 O LEU A 50 -12.218 9.638 12.725 1.00 0.00 O ATOM 113 CB LEU A 50 -10.640 9.567 15.046 1.00 0.00 C ATOM 114 CG LEU A 50 -9.776 9.704 16.339 1.00 0.00 C ATOM 115 CD1 LEU A 50 -10.405 8.908 17.508 1.00 0.00 C ATOM 116 CD2 LEU A 50 -8.311 9.280 16.083 1.00 0.00 C ATOM 0 H LEU A 50 -10.679 12.065 14.892 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.156 10.012 13.527 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.654 9.892 15.279 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.696 8.510 14.785 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.761 10.756 16.625 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.786 9.018 18.398 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.405 9.290 17.712 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.468 7.854 17.238 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.735 9.387 17.002 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.285 8.240 15.757 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.879 9.914 15.309 1.00 0.00 H new ATOM 128 N HIS A 51 -10.543 10.356 11.377 1.00 0.00 N ATOM 129 CA HIS A 51 -11.213 10.088 10.084 1.00 0.00 C ATOM 130 C HIS A 51 -10.171 9.555 9.094 1.00 0.00 C ATOM 131 O HIS A 51 -9.839 10.191 8.086 1.00 0.00 O ATOM 132 CB HIS A 51 -11.934 11.356 9.537 1.00 0.00 C ATOM 133 CG HIS A 51 -13.235 11.660 10.224 1.00 0.00 C ATOM 134 ND1 HIS A 51 -13.508 12.273 11.395 1.00 0.00 N flip ATOM 135 CD2 HIS A 51 -14.451 11.296 9.701 1.00 0.00 C flip ATOM 136 CE1 HIS A 51 -14.865 12.256 11.562 1.00 0.00 C flip ATOM 137 NE2 HIS A 51 -15.410 11.656 10.525 1.00 0.00 N flip ATOM 0 H HIS A 51 -9.627 10.791 11.270 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.990 9.337 10.228 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -11.270 12.214 9.642 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -12.119 11.225 8.471 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -12.826 12.676 12.038 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -14.597 10.791 8.757 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.401 12.667 12.405 1.00 0.00 H new ATOM 146 N THR A 52 -9.648 8.373 9.428 1.00 0.00 N ATOM 147 CA THR A 52 -8.559 7.712 8.697 1.00 0.00 C ATOM 148 C THR A 52 -8.944 6.231 8.474 1.00 0.00 C ATOM 149 O THR A 52 -9.495 5.590 9.377 1.00 0.00 O ATOM 150 CB THR A 52 -7.226 7.852 9.517 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.094 9.209 9.983 1.00 0.00 O ATOM 152 CG2 THR A 52 -5.974 7.512 8.698 1.00 0.00 C ATOM 0 H THR A 52 -9.975 7.836 10.231 1.00 0.00 H new ATOM 0 HA THR A 52 -8.401 8.177 7.724 1.00 0.00 H new ATOM 0 HB THR A 52 -7.293 7.142 10.341 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.264 9.299 10.496 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.088 7.629 9.322 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.038 6.482 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.906 8.183 7.842 1.00 0.00 H new ATOM 160 N VAL A 53 -8.691 5.699 7.263 1.00 0.00 N ATOM 161 CA VAL A 53 -9.126 4.335 6.878 1.00 0.00 C ATOM 162 C VAL A 53 -7.922 3.393 6.931 1.00 0.00 C ATOM 163 O VAL A 53 -6.848 3.739 6.437 1.00 0.00 O ATOM 164 CB VAL A 53 -9.751 4.302 5.432 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.272 2.883 5.068 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.861 5.364 5.277 1.00 0.00 C ATOM 0 H VAL A 53 -8.185 6.193 6.528 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.896 4.016 7.580 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.957 4.548 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.696 2.898 4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.446 2.172 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.039 2.583 5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.272 5.316 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.652 5.171 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.443 6.355 5.451 1.00 0.00 H new ATOM 176 N ARG A 54 -8.110 2.213 7.534 1.00 0.00 N ATOM 177 CA ARG A 54 -7.049 1.209 7.702 1.00 0.00 C ATOM 178 C ARG A 54 -7.488 -0.104 7.044 1.00 0.00 C ATOM 179 O ARG A 54 -8.509 -0.684 7.428 1.00 0.00 O ATOM 180 CB ARG A 54 -6.750 1.001 9.213 1.00 0.00 C ATOM 181 CG ARG A 54 -5.608 0.008 9.535 1.00 0.00 C ATOM 182 CD ARG A 54 -5.270 -0.025 11.037 1.00 0.00 C ATOM 183 NE ARG A 54 -4.290 -1.082 11.366 1.00 0.00 N ATOM 184 CZ ARG A 54 -3.453 -1.066 12.411 1.00 0.00 C ATOM 185 NH1 ARG A 54 -3.388 -0.026 13.234 1.00 0.00 N ATOM 186 NH2 ARG A 54 -2.658 -2.106 12.624 1.00 0.00 N ATOM 0 H ARG A 54 -9.008 1.925 7.922 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.134 1.554 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.503 1.967 9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.660 0.652 9.701 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.895 -0.991 9.207 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.718 0.286 8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.872 0.944 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.183 -0.188 11.610 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.248 -1.890 10.745 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.985 0.786 13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.741 -0.039 14.023 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.688 -2.908 11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.017 -2.104 13.417 1.00 0.00 H new ATOM 200 N LEU A 55 -6.715 -0.567 6.048 1.00 0.00 N ATOM 201 CA LEU A 55 -6.984 -1.822 5.323 1.00 0.00 C ATOM 202 C LEU A 55 -5.823 -2.796 5.520 1.00 0.00 C ATOM 203 O LEU A 55 -4.704 -2.409 5.888 1.00 0.00 O ATOM 204 CB LEU A 55 -7.226 -1.565 3.807 1.00 0.00 C ATOM 205 CG LEU A 55 -8.556 -0.848 3.447 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.596 -0.461 1.948 1.00 0.00 C ATOM 207 CD2 LEU A 55 -9.775 -1.715 3.844 1.00 0.00 C ATOM 0 H LEU A 55 -5.881 -0.079 5.721 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.894 -2.261 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.398 -0.969 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.199 -2.522 3.287 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.607 0.077 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.539 0.039 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.767 0.211 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.510 -1.360 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.695 -1.192 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.734 -2.665 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.756 -1.899 4.918 1.00 0.00 H new ATOM 219 N PHE A 56 -6.130 -4.059 5.252 1.00 0.00 N ATOM 220 CA PHE A 56 -5.233 -5.206 5.455 1.00 0.00 C ATOM 221 C PHE A 56 -5.321 -6.099 4.214 1.00 0.00 C ATOM 222 O PHE A 56 -6.430 -6.346 3.717 1.00 0.00 O ATOM 223 CB PHE A 56 -5.664 -6.026 6.710 1.00 0.00 C ATOM 224 CG PHE A 56 -5.838 -5.205 7.990 1.00 0.00 C ATOM 225 CD1 PHE A 56 -7.069 -4.620 8.309 1.00 0.00 C ATOM 226 CD2 PHE A 56 -4.776 -5.015 8.865 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.222 -3.875 9.462 1.00 0.00 C ATOM 228 CE2 PHE A 56 -4.932 -4.269 10.014 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.150 -3.698 10.311 1.00 0.00 C ATOM 0 H PHE A 56 -7.038 -4.329 4.875 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.214 -4.851 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.604 -6.532 6.490 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.920 -6.802 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.910 -4.753 7.645 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.816 -5.457 8.643 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.178 -3.432 9.698 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.096 -4.132 10.684 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.265 -3.111 11.210 1.00 0.00 H new ATOM 239 N GLY A 57 -4.177 -6.591 3.729 1.00 0.00 N ATOM 240 CA GLY A 57 -4.155 -7.452 2.552 1.00 0.00 C ATOM 241 C GLY A 57 -2.763 -7.828 2.124 1.00 0.00 C ATOM 242 O GLY A 57 -1.821 -7.706 2.902 1.00 0.00 O ATOM 0 H GLY A 57 -3.259 -6.406 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.722 -8.359 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.658 -6.945 1.728 1.00 0.00 H new ATOM 246 N THR A 58 -2.644 -8.303 0.876 1.00 0.00 N ATOM 247 CA THR A 58 -1.376 -8.729 0.279 1.00 0.00 C ATOM 248 C THR A 58 -1.108 -7.921 -1.007 1.00 0.00 C ATOM 249 O THR A 58 -2.026 -7.663 -1.792 1.00 0.00 O ATOM 250 CB THR A 58 -1.417 -10.263 -0.033 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.830 -10.979 1.142 1.00 0.00 O ATOM 252 CG2 THR A 58 -0.053 -10.807 -0.495 1.00 0.00 C ATOM 0 H THR A 58 -3.440 -8.402 0.246 1.00 0.00 H new ATOM 0 HA THR A 58 -0.566 -8.543 0.984 1.00 0.00 H new ATOM 0 HB THR A 58 -2.127 -10.408 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.858 -11.939 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.137 -11.875 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.257 -10.288 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.688 -10.644 0.288 1.00 0.00 H new ATOM 260 N VAL A 59 0.154 -7.529 -1.187 1.00 0.00 N ATOM 261 CA VAL A 59 0.626 -6.734 -2.328 1.00 0.00 C ATOM 262 C VAL A 59 0.732 -7.607 -3.590 1.00 0.00 C ATOM 263 O VAL A 59 1.317 -8.693 -3.539 1.00 0.00 O ATOM 264 CB VAL A 59 2.037 -6.122 -1.996 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.612 -5.304 -3.174 1.00 0.00 C ATOM 266 CG2 VAL A 59 1.976 -5.276 -0.707 1.00 0.00 C ATOM 0 H VAL A 59 0.897 -7.760 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.090 -5.934 -2.514 1.00 0.00 H new ATOM 0 HB VAL A 59 2.720 -6.955 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.586 -4.902 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.720 -5.949 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.935 -4.483 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.962 -4.862 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.262 -4.463 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.660 -5.904 0.126 1.00 0.00 H new ATOM 276 N ALA A 60 0.161 -7.134 -4.711 1.00 0.00 N ATOM 277 CA ALA A 60 0.306 -7.790 -6.021 1.00 0.00 C ATOM 278 C ALA A 60 1.672 -7.444 -6.638 1.00 0.00 C ATOM 279 O ALA A 60 2.143 -6.299 -6.528 1.00 0.00 O ATOM 280 CB ALA A 60 -0.833 -7.382 -6.973 1.00 0.00 C ATOM 0 H ALA A 60 -0.411 -6.290 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 60 0.249 -8.868 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.701 -7.881 -7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.790 -7.674 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.815 -6.302 -7.120 1.00 0.00 H new ATOM 286 N ALA A 61 2.302 -8.450 -7.264 1.00 0.00 N ATOM 287 CA ALA A 61 3.564 -8.279 -8.001 1.00 0.00 C ATOM 288 C ALA A 61 3.308 -7.532 -9.321 1.00 0.00 C ATOM 289 O ALA A 61 4.084 -6.652 -9.720 1.00 0.00 O ATOM 290 CB ALA A 61 4.216 -9.651 -8.255 1.00 0.00 C ATOM 0 H ALA A 61 1.950 -9.407 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 61 4.252 -7.682 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.149 -9.515 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.421 -10.138 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.540 -10.272 -8.842 1.00 0.00 H new ATOM 296 N ASP A 62 2.191 -7.890 -9.978 1.00 0.00 N ATOM 297 CA ASP A 62 1.744 -7.260 -11.228 1.00 0.00 C ATOM 298 C ASP A 62 1.055 -5.924 -10.917 1.00 0.00 C ATOM 299 O ASP A 62 0.017 -5.892 -10.237 1.00 0.00 O ATOM 300 CB ASP A 62 0.796 -8.207 -12.003 1.00 0.00 C ATOM 301 CG ASP A 62 1.503 -9.486 -12.469 1.00 0.00 C ATOM 302 OD1 ASP A 62 1.575 -10.462 -11.691 1.00 0.00 O ATOM 303 OD2 ASP A 62 2.018 -9.519 -13.613 1.00 0.00 O ATOM 0 H ASP A 62 1.570 -8.631 -9.652 1.00 0.00 H new ATOM 0 HA ASP A 62 2.610 -7.065 -11.860 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.048 -8.473 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.390 -7.683 -12.868 1.00 0.00 H new ATOM 308 N GLY A 63 1.667 -4.835 -11.390 1.00 0.00 N ATOM 309 CA GLY A 63 1.178 -3.482 -11.150 1.00 0.00 C ATOM 310 C GLY A 63 1.775 -2.891 -9.882 1.00 0.00 C ATOM 311 O GLY A 63 1.063 -2.276 -9.076 1.00 0.00 O ATOM 0 H GLY A 63 2.518 -4.871 -11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.427 -2.848 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.091 -3.496 -11.070 1.00 0.00 H new ATOM 315 N LEU A 64 3.092 -3.103 -9.687 1.00 0.00 N ATOM 316 CA LEU A 64 3.849 -2.468 -8.594 1.00 0.00 C ATOM 317 C LEU A 64 4.834 -1.466 -9.222 1.00 0.00 C ATOM 318 O LEU A 64 5.895 -1.848 -9.724 1.00 0.00 O ATOM 319 CB LEU A 64 4.557 -3.544 -7.702 1.00 0.00 C ATOM 320 CG LEU A 64 5.088 -3.066 -6.290 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.300 -4.263 -5.340 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.394 -2.229 -6.387 1.00 0.00 C ATOM 0 H LEU A 64 3.655 -3.714 -10.278 1.00 0.00 H new ATOM 0 HA LEU A 64 3.181 -1.929 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.858 -4.365 -7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.400 -3.948 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 64 4.314 -2.416 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.665 -3.904 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.354 -4.786 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.031 -4.946 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.709 -1.930 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.177 -2.829 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.213 -1.340 -6.991 1.00 0.00 H new ATOM 334 N THR A 65 4.448 -0.184 -9.205 1.00 0.00 N ATOM 335 CA THR A 65 5.229 0.924 -9.774 1.00 0.00 C ATOM 336 C THR A 65 5.782 1.803 -8.642 1.00 0.00 C ATOM 337 O THR A 65 5.015 2.414 -7.906 1.00 0.00 O ATOM 338 CB THR A 65 4.337 1.778 -10.734 1.00 0.00 C ATOM 339 OG1 THR A 65 3.715 0.910 -11.695 1.00 0.00 O ATOM 340 CG2 THR A 65 5.132 2.879 -11.472 1.00 0.00 C ATOM 0 H THR A 65 3.568 0.119 -8.788 1.00 0.00 H new ATOM 0 HA THR A 65 6.061 0.515 -10.347 1.00 0.00 H new ATOM 0 HB THR A 65 3.588 2.281 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.153 1.439 -12.299 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.460 3.438 -12.123 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.578 3.556 -10.743 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.919 2.420 -12.071 1.00 0.00 H new ATOM 348 N MET A 66 7.115 1.872 -8.514 1.00 0.00 N ATOM 349 CA MET A 66 7.772 2.682 -7.471 1.00 0.00 C ATOM 350 C MET A 66 7.998 4.089 -8.039 1.00 0.00 C ATOM 351 O MET A 66 8.471 4.224 -9.179 1.00 0.00 O ATOM 352 CB MET A 66 9.109 2.034 -7.009 1.00 0.00 C ATOM 353 CG MET A 66 8.958 0.581 -6.505 1.00 0.00 C ATOM 354 SD MET A 66 10.434 -0.071 -5.681 1.00 0.00 S ATOM 355 CE MET A 66 10.485 0.943 -4.205 1.00 0.00 C ATOM 0 H MET A 66 7.765 1.374 -9.123 1.00 0.00 H new ATOM 0 HA MET A 66 7.136 2.737 -6.587 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.815 2.049 -7.839 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.540 2.641 -6.213 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.117 0.533 -5.813 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.712 -0.062 -7.350 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.108 0.459 -3.453 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.903 1.920 -4.449 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.475 1.068 -3.814 1.00 0.00 H new ATOM 365 N LEU A 67 7.637 5.119 -7.256 1.00 0.00 N ATOM 366 CA LEU A 67 7.643 6.521 -7.713 1.00 0.00 C ATOM 367 C LEU A 67 9.074 6.982 -8.067 1.00 0.00 C ATOM 368 O LEU A 67 10.015 6.811 -7.280 1.00 0.00 O ATOM 369 CB LEU A 67 6.991 7.441 -6.638 1.00 0.00 C ATOM 370 CG LEU A 67 5.514 7.075 -6.231 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.936 8.078 -5.209 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.599 6.936 -7.468 1.00 0.00 C ATOM 0 H LEU A 67 7.333 5.005 -6.289 1.00 0.00 H new ATOM 0 HA LEU A 67 7.048 6.594 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.611 7.418 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.003 8.466 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 67 5.550 6.101 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.916 7.791 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.550 8.074 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.934 9.078 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.589 6.683 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.581 7.879 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.981 6.148 -8.117 1.00 0.00 H new ATOM 384 N ASP A 68 9.225 7.508 -9.296 1.00 0.00 N ATOM 385 CA ASP A 68 10.521 7.949 -9.850 1.00 0.00 C ATOM 386 C ASP A 68 10.795 9.396 -9.436 1.00 0.00 C ATOM 387 O ASP A 68 9.909 10.247 -9.554 1.00 0.00 O ATOM 388 CB ASP A 68 10.514 7.837 -11.398 1.00 0.00 C ATOM 389 CG ASP A 68 10.166 6.425 -11.898 1.00 0.00 C ATOM 390 OD1 ASP A 68 10.996 5.500 -11.732 1.00 0.00 O ATOM 391 OD2 ASP A 68 9.068 6.235 -12.468 1.00 0.00 O ATOM 0 H ASP A 68 8.445 7.641 -9.939 1.00 0.00 H new ATOM 0 HA ASP A 68 11.308 7.305 -9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.795 8.548 -11.805 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.494 8.121 -11.781 1.00 0.00 H new ATOM 396 N GLY A 69 12.013 9.660 -8.940 1.00 0.00 N ATOM 397 CA GLY A 69 12.418 11.006 -8.513 1.00 0.00 C ATOM 398 C GLY A 69 11.665 11.512 -7.278 1.00 0.00 C ATOM 399 O GLY A 69 11.661 12.719 -6.999 1.00 0.00 O ATOM 0 H GLY A 69 12.739 8.953 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.487 11.004 -8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.258 11.702 -9.336 1.00 0.00 H new ATOM 403 N ALA A 70 11.039 10.580 -6.542 1.00 0.00 N ATOM 404 CA ALA A 70 10.248 10.875 -5.342 1.00 0.00 C ATOM 405 C ALA A 70 10.189 9.615 -4.452 1.00 0.00 C ATOM 406 O ALA A 70 10.049 8.507 -4.979 1.00 0.00 O ATOM 407 CB ALA A 70 8.829 11.335 -5.726 1.00 0.00 C ATOM 0 H ALA A 70 11.070 9.586 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 70 10.722 11.686 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.259 11.549 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.891 12.235 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.331 10.547 -6.291 1.00 0.00 H new ATOM 413 N PRO A 71 10.323 9.759 -3.096 1.00 0.00 N ATOM 414 CA PRO A 71 10.153 8.633 -2.160 1.00 0.00 C ATOM 415 C PRO A 71 8.683 8.166 -2.130 1.00 0.00 C ATOM 416 O PRO A 71 7.800 8.912 -1.704 1.00 0.00 O ATOM 417 CB PRO A 71 10.593 9.219 -0.794 1.00 0.00 C ATOM 418 CG PRO A 71 10.367 10.698 -0.930 1.00 0.00 C ATOM 419 CD PRO A 71 10.673 11.016 -2.377 1.00 0.00 C ATOM 0 HA PRO A 71 10.733 7.753 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.007 8.801 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.639 8.995 -0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.341 10.964 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.017 11.259 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.083 11.860 -2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.722 11.278 -2.516 1.00 0.00 H new ATOM 427 N GLY A 72 8.427 6.946 -2.626 1.00 0.00 N ATOM 428 CA GLY A 72 7.084 6.381 -2.623 1.00 0.00 C ATOM 429 C GLY A 72 6.949 5.147 -3.489 1.00 0.00 C ATOM 430 O GLY A 72 7.885 4.750 -4.197 1.00 0.00 O ATOM 0 H GLY A 72 9.138 6.338 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.806 6.130 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.379 7.137 -2.968 1.00 0.00 H new ATOM 434 N VAL A 73 5.755 4.541 -3.431 1.00 0.00 N ATOM 435 CA VAL A 73 5.416 3.323 -4.179 1.00 0.00 C ATOM 436 C VAL A 73 3.927 3.356 -4.566 1.00 0.00 C ATOM 437 O VAL A 73 3.130 4.111 -4.000 1.00 0.00 O ATOM 438 CB VAL A 73 5.738 2.016 -3.340 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.787 1.853 -2.115 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.750 0.735 -4.220 1.00 0.00 C ATOM 0 H VAL A 73 4.988 4.888 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 73 6.028 3.293 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 73 6.748 2.147 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.046 0.944 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.894 2.714 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.756 1.787 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.975 -0.131 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.773 0.604 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.510 0.833 -4.995 1.00 0.00 H new ATOM 450 N ARG A 74 3.578 2.540 -5.548 1.00 0.00 N ATOM 451 CA ARG A 74 2.206 2.272 -5.957 1.00 0.00 C ATOM 452 C ARG A 74 2.108 0.767 -6.208 1.00 0.00 C ATOM 453 O ARG A 74 3.014 0.180 -6.805 1.00 0.00 O ATOM 454 CB ARG A 74 1.847 3.061 -7.242 1.00 0.00 C ATOM 455 CG ARG A 74 0.376 2.925 -7.686 1.00 0.00 C ATOM 456 CD ARG A 74 0.123 3.535 -9.074 1.00 0.00 C ATOM 457 NE ARG A 74 0.568 4.937 -9.166 1.00 0.00 N ATOM 458 CZ ARG A 74 -0.131 5.941 -9.708 1.00 0.00 C ATOM 459 NH1 ARG A 74 -1.370 5.757 -10.154 1.00 0.00 N ATOM 460 NH2 ARG A 74 0.418 7.137 -9.794 1.00 0.00 N ATOM 0 H ARG A 74 4.265 2.028 -6.102 1.00 0.00 H new ATOM 0 HA ARG A 74 1.505 2.588 -5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.068 4.116 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.491 2.722 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.100 1.871 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.268 3.414 -6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.642 2.943 -9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.941 3.480 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 74 1.487 5.161 -8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.805 4.837 -10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.885 6.536 -10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.366 7.289 -9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.105 7.910 -10.205 1.00 0.00 H new ATOM 474 N PHE A 75 1.037 0.144 -5.729 1.00 0.00 N ATOM 475 CA PHE A 75 0.831 -1.306 -5.846 1.00 0.00 C ATOM 476 C PHE A 75 -0.661 -1.616 -5.846 1.00 0.00 C ATOM 477 O PHE A 75 -1.469 -0.793 -5.417 1.00 0.00 O ATOM 478 CB PHE A 75 1.554 -2.058 -4.688 1.00 0.00 C ATOM 479 CG PHE A 75 1.117 -1.644 -3.265 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.634 -0.493 -2.661 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.201 -2.410 -2.530 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.254 -0.122 -1.382 1.00 0.00 C ATOM 483 CE2 PHE A 75 -0.174 -2.038 -1.251 1.00 0.00 C ATOM 484 CZ PHE A 75 0.354 -0.898 -0.677 1.00 0.00 C ATOM 0 H PHE A 75 0.280 0.627 -5.245 1.00 0.00 H new ATOM 0 HA PHE A 75 1.260 -1.650 -6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.382 -3.128 -4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.627 -1.895 -4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.342 0.117 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.218 -3.304 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.661 0.773 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.881 -2.640 -0.700 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.063 -0.613 0.323 1.00 0.00 H new ATOM 494 N ARG A 76 -1.021 -2.811 -6.316 1.00 0.00 N ATOM 495 CA ARG A 76 -2.407 -3.268 -6.316 1.00 0.00 C ATOM 496 C ARG A 76 -2.622 -4.139 -5.067 1.00 0.00 C ATOM 497 O ARG A 76 -2.119 -5.265 -5.005 1.00 0.00 O ATOM 498 CB ARG A 76 -2.721 -4.060 -7.614 1.00 0.00 C ATOM 499 CG ARG A 76 -4.224 -4.331 -7.847 1.00 0.00 C ATOM 500 CD ARG A 76 -4.481 -5.255 -9.051 1.00 0.00 C ATOM 501 NE ARG A 76 -4.016 -6.634 -8.800 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.680 -7.525 -9.745 1.00 0.00 C ATOM 503 NH1 ARG A 76 -3.676 -7.198 -11.032 1.00 0.00 N ATOM 504 NH2 ARG A 76 -3.353 -8.749 -9.392 1.00 0.00 N ATOM 0 H ARG A 76 -0.362 -3.485 -6.705 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.086 -2.415 -6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.327 -3.507 -8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.193 -5.013 -7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.651 -4.781 -6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.740 -3.384 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.547 -5.268 -9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.974 -4.856 -9.929 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.944 -6.934 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.932 -6.253 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.417 -7.892 -11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.356 -9.014 -8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.096 -9.433 -10.103 1.00 0.00 H new ATOM 518 N LEU A 77 -3.311 -3.593 -4.052 1.00 0.00 N ATOM 519 CA LEU A 77 -3.667 -4.351 -2.843 1.00 0.00 C ATOM 520 C LEU A 77 -4.792 -5.335 -3.179 1.00 0.00 C ATOM 521 O LEU A 77 -5.784 -4.974 -3.827 1.00 0.00 O ATOM 522 CB LEU A 77 -4.135 -3.440 -1.676 1.00 0.00 C ATOM 523 CG LEU A 77 -4.358 -4.186 -0.316 1.00 0.00 C ATOM 524 CD1 LEU A 77 -3.015 -4.636 0.290 1.00 0.00 C ATOM 525 CD2 LEU A 77 -5.183 -3.346 0.679 1.00 0.00 C ATOM 0 H LEU A 77 -3.633 -2.625 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.768 -4.872 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.395 -2.654 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.066 -2.951 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.945 -5.080 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.196 -5.151 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.512 -5.312 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.386 -3.764 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.312 -3.904 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.661 -2.412 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.160 -3.128 0.248 1.00 0.00 H new ATOM 537 N GLU A 78 -4.610 -6.577 -2.748 1.00 0.00 N ATOM 538 CA GLU A 78 -5.601 -7.642 -2.857 1.00 0.00 C ATOM 539 C GLU A 78 -5.797 -8.179 -1.442 1.00 0.00 C ATOM 540 O GLU A 78 -4.935 -8.917 -0.941 1.00 0.00 O ATOM 541 CB GLU A 78 -5.090 -8.750 -3.825 1.00 0.00 C ATOM 542 CG GLU A 78 -4.650 -8.225 -5.204 1.00 0.00 C ATOM 543 CD GLU A 78 -4.114 -9.326 -6.131 1.00 0.00 C ATOM 544 OE1 GLU A 78 -2.982 -9.808 -5.910 1.00 0.00 O ATOM 545 OE2 GLU A 78 -4.806 -9.701 -7.098 1.00 0.00 O ATOM 0 H GLU A 78 -3.745 -6.880 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.546 -7.284 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.250 -9.265 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.880 -9.488 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.496 -7.735 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.878 -7.467 -5.067 1.00 0.00 H new ATOM 552 N ASP A 79 -6.892 -7.746 -0.789 1.00 0.00 N ATOM 553 CA ASP A 79 -7.152 -8.021 0.641 1.00 0.00 C ATOM 554 C ASP A 79 -7.088 -9.524 0.955 1.00 0.00 C ATOM 555 O ASP A 79 -7.528 -10.347 0.144 1.00 0.00 O ATOM 556 CB ASP A 79 -8.515 -7.411 1.087 1.00 0.00 C ATOM 557 CG ASP A 79 -8.527 -5.868 1.130 1.00 0.00 C ATOM 558 OD1 ASP A 79 -8.075 -5.230 0.154 1.00 0.00 O ATOM 559 OD2 ASP A 79 -9.048 -5.284 2.118 1.00 0.00 O ATOM 0 H ASP A 79 -7.624 -7.195 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.361 -7.538 1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.294 -7.752 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.767 -7.794 2.076 1.00 0.00 H new ATOM 564 N LYS A 80 -6.514 -9.853 2.136 1.00 0.00 N ATOM 565 CA LYS A 80 -6.193 -11.232 2.551 1.00 0.00 C ATOM 566 C LYS A 80 -7.422 -12.154 2.424 1.00 0.00 C ATOM 567 O LYS A 80 -7.330 -13.283 1.927 1.00 0.00 O ATOM 568 CB LYS A 80 -5.654 -11.227 4.008 1.00 0.00 C ATOM 569 CG LYS A 80 -5.332 -12.627 4.573 1.00 0.00 C ATOM 570 CD LYS A 80 -4.795 -12.588 6.016 1.00 0.00 C ATOM 571 CE LYS A 80 -4.528 -13.998 6.570 1.00 0.00 C ATOM 572 NZ LYS A 80 -5.780 -14.783 6.704 1.00 0.00 N ATOM 0 H LYS A 80 -6.259 -9.155 2.835 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.422 -11.624 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.752 -10.617 4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.391 -10.749 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.233 -13.240 4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.596 -13.111 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.873 -12.007 6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.514 -12.077 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.838 -14.524 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.042 -13.921 7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.587 -15.657 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.490 -14.219 7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.142 -15.024 5.759 1.00 0.00 H new ATOM 586 N ASP A 81 -8.573 -11.633 2.848 1.00 0.00 N ATOM 587 CA ASP A 81 -9.859 -12.318 2.723 1.00 0.00 C ATOM 588 C ASP A 81 -10.541 -11.888 1.421 1.00 0.00 C ATOM 589 O ASP A 81 -10.850 -12.726 0.567 1.00 0.00 O ATOM 590 CB ASP A 81 -10.747 -12.015 3.955 1.00 0.00 C ATOM 591 CG ASP A 81 -10.186 -12.634 5.247 1.00 0.00 C ATOM 592 OD1 ASP A 81 -9.054 -12.283 5.644 1.00 0.00 O ATOM 593 OD2 ASP A 81 -10.855 -13.492 5.862 1.00 0.00 O ATOM 0 H ASP A 81 -8.640 -10.717 3.291 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.700 -13.396 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.834 -10.936 4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.752 -12.398 3.778 1.00 0.00 H new ATOM 598 N ASN A 82 -10.721 -10.565 1.248 1.00 0.00 N ATOM 599 CA ASN A 82 -11.495 -9.996 0.115 1.00 0.00 C ATOM 600 C ASN A 82 -10.552 -9.614 -1.049 1.00 0.00 C ATOM 601 O ASN A 82 -10.365 -8.437 -1.377 1.00 0.00 O ATOM 602 CB ASN A 82 -12.360 -8.785 0.586 1.00 0.00 C ATOM 603 CG ASN A 82 -13.323 -8.252 -0.488 1.00 0.00 C ATOM 604 OD1 ASN A 82 -13.745 -8.985 -1.389 1.00 0.00 O ATOM 605 ND2 ASN A 82 -13.690 -6.980 -0.395 1.00 0.00 N ATOM 0 H ASN A 82 -10.340 -9.861 1.880 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.181 -10.757 -0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.937 -9.082 1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.698 -7.978 0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.336 -6.584 -1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.326 -6.398 0.359 1.00 0.00 H new ATOM 612 N THR A 83 -9.954 -10.652 -1.666 1.00 0.00 N ATOM 613 CA THR A 83 -9.064 -10.503 -2.837 1.00 0.00 C ATOM 614 C THR A 83 -9.879 -10.161 -4.111 1.00 0.00 C ATOM 615 O THR A 83 -9.315 -9.704 -5.116 1.00 0.00 O ATOM 616 CB THR A 83 -8.192 -11.792 -3.052 1.00 0.00 C ATOM 617 OG1 THR A 83 -7.252 -11.597 -4.118 1.00 0.00 O ATOM 618 CG2 THR A 83 -9.044 -13.047 -3.350 1.00 0.00 C ATOM 0 H THR A 83 -10.074 -11.620 -1.367 1.00 0.00 H new ATOM 0 HA THR A 83 -8.386 -9.673 -2.640 1.00 0.00 H new ATOM 0 HB THR A 83 -7.663 -11.962 -2.114 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.717 -12.410 -4.236 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.389 -13.907 -3.490 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.718 -13.236 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.627 -12.884 -4.256 1.00 0.00 H new ATOM 626 N SER A 84 -11.214 -10.370 -4.034 1.00 0.00 N ATOM 627 CA SER A 84 -12.177 -10.005 -5.097 1.00 0.00 C ATOM 628 C SER A 84 -12.230 -8.482 -5.302 1.00 0.00 C ATOM 629 O SER A 84 -12.642 -8.001 -6.360 1.00 0.00 O ATOM 630 CB SER A 84 -13.579 -10.539 -4.731 1.00 0.00 C ATOM 631 OG SER A 84 -13.535 -11.938 -4.521 1.00 0.00 O ATOM 0 H SER A 84 -11.657 -10.802 -3.223 1.00 0.00 H new ATOM 0 HA SER A 84 -11.845 -10.458 -6.031 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.941 -10.041 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.283 -10.307 -5.530 1.00 0.00 H new ATOM 0 HG SER A 84 -14.430 -12.262 -4.288 1.00 0.00 H new ATOM 637 N LYS A 85 -11.832 -7.737 -4.259 1.00 0.00 N ATOM 638 CA LYS A 85 -11.685 -6.284 -4.310 1.00 0.00 C ATOM 639 C LYS A 85 -10.192 -5.966 -4.527 1.00 0.00 C ATOM 640 O LYS A 85 -9.400 -5.992 -3.573 1.00 0.00 O ATOM 641 CB LYS A 85 -12.189 -5.664 -2.981 1.00 0.00 C ATOM 642 CG LYS A 85 -12.165 -4.120 -2.922 1.00 0.00 C ATOM 643 CD LYS A 85 -12.231 -3.576 -1.473 1.00 0.00 C ATOM 644 CE LYS A 85 -11.035 -4.050 -0.629 1.00 0.00 C ATOM 645 NZ LYS A 85 -11.023 -3.479 0.736 1.00 0.00 N ATOM 0 H LYS A 85 -11.602 -8.136 -3.349 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.274 -5.863 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.210 -6.002 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.580 -6.052 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.256 -3.756 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -13.006 -3.726 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.251 -2.486 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.159 -3.903 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.055 -5.138 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.110 -3.779 -1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.360 -4.015 1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.723 -2.484 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.978 -3.536 1.144 1.00 0.00 H new ATOM 659 N THR A 86 -9.807 -5.741 -5.795 1.00 0.00 N ATOM 660 CA THR A 86 -8.436 -5.348 -6.165 1.00 0.00 C ATOM 661 C THR A 86 -8.353 -3.809 -6.221 1.00 0.00 C ATOM 662 O THR A 86 -8.877 -3.175 -7.146 1.00 0.00 O ATOM 663 CB THR A 86 -8.005 -5.991 -7.536 1.00 0.00 C ATOM 664 OG1 THR A 86 -8.945 -5.645 -8.567 1.00 0.00 O ATOM 665 CG2 THR A 86 -7.892 -7.526 -7.441 1.00 0.00 C ATOM 0 H THR A 86 -10.437 -5.826 -6.592 1.00 0.00 H new ATOM 0 HA THR A 86 -7.743 -5.719 -5.410 1.00 0.00 H new ATOM 0 HB THR A 86 -7.021 -5.592 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.251 -4.723 -8.435 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.592 -7.929 -8.408 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.146 -7.790 -6.691 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.857 -7.945 -7.156 1.00 0.00 H new ATOM 673 N VAL A 87 -7.731 -3.230 -5.188 1.00 0.00 N ATOM 674 CA VAL A 87 -7.596 -1.770 -5.009 1.00 0.00 C ATOM 675 C VAL A 87 -6.186 -1.329 -5.417 1.00 0.00 C ATOM 676 O VAL A 87 -5.224 -2.030 -5.143 1.00 0.00 O ATOM 677 CB VAL A 87 -7.855 -1.372 -3.498 1.00 0.00 C ATOM 678 CG1 VAL A 87 -7.628 0.145 -3.224 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.273 -1.802 -3.059 1.00 0.00 C ATOM 0 H VAL A 87 -7.298 -3.767 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.334 -1.271 -5.638 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.119 -1.909 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.820 0.358 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.598 0.408 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.307 0.732 -3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.433 -1.520 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.014 -1.307 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.374 -2.882 -3.162 1.00 0.00 H new ATOM 689 N TRP A 88 -6.080 -0.181 -6.094 1.00 0.00 N ATOM 690 CA TRP A 88 -4.786 0.486 -6.330 1.00 0.00 C ATOM 691 C TRP A 88 -4.470 1.373 -5.128 1.00 0.00 C ATOM 692 O TRP A 88 -5.335 2.090 -4.658 1.00 0.00 O ATOM 693 CB TRP A 88 -4.826 1.312 -7.636 1.00 0.00 C ATOM 694 CG TRP A 88 -4.924 0.440 -8.861 1.00 0.00 C ATOM 695 CD1 TRP A 88 -6.052 0.094 -9.549 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.839 -0.230 -9.515 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.731 -0.721 -10.601 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.381 -0.938 -10.596 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.459 -0.293 -9.287 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.600 -1.709 -11.447 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.684 -1.053 -10.137 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.255 -1.746 -11.211 1.00 0.00 C ATOM 0 H TRP A 88 -6.879 0.312 -6.493 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.001 -0.261 -6.445 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.678 1.992 -7.607 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.929 1.928 -7.702 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.052 0.417 -9.299 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.391 -1.104 -11.278 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -2.011 0.242 -8.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -4.040 -2.259 -12.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.619 -1.115 -9.972 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.619 -2.322 -11.867 1.00 0.00 H new ATOM 713 N VAL A 89 -3.244 1.302 -4.612 1.00 0.00 N ATOM 714 CA VAL A 89 -2.837 2.043 -3.416 1.00 0.00 C ATOM 715 C VAL A 89 -1.615 2.897 -3.763 1.00 0.00 C ATOM 716 O VAL A 89 -0.587 2.368 -4.195 1.00 0.00 O ATOM 717 CB VAL A 89 -2.517 1.090 -2.207 1.00 0.00 C ATOM 718 CG1 VAL A 89 -2.120 1.897 -0.942 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.710 0.147 -1.913 1.00 0.00 C ATOM 0 H VAL A 89 -2.502 0.728 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.666 2.677 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.662 0.474 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.905 1.209 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.234 2.495 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.942 2.554 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.463 -0.502 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.591 0.740 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.918 -0.462 -2.793 1.00 0.00 H new ATOM 729 N LEU A 90 -1.762 4.212 -3.587 1.00 0.00 N ATOM 730 CA LEU A 90 -0.689 5.179 -3.807 1.00 0.00 C ATOM 731 C LEU A 90 -0.153 5.618 -2.439 1.00 0.00 C ATOM 732 O LEU A 90 -0.865 6.267 -1.665 1.00 0.00 O ATOM 733 CB LEU A 90 -1.198 6.408 -4.611 1.00 0.00 C ATOM 734 CG LEU A 90 -0.116 7.486 -4.949 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.990 6.911 -5.864 1.00 0.00 C ATOM 736 CD2 LEU A 90 -0.758 8.758 -5.544 1.00 0.00 C ATOM 0 H LEU A 90 -2.638 4.638 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 90 0.105 4.716 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.637 6.054 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.997 6.886 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 90 0.365 7.777 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.725 7.687 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.480 6.076 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.546 6.564 -6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.020 9.488 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.290 8.502 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.458 9.183 -4.824 1.00 0.00 H new ATOM 748 N TYR A 91 1.089 5.230 -2.151 1.00 0.00 N ATOM 749 CA TYR A 91 1.798 5.604 -0.922 1.00 0.00 C ATOM 750 C TYR A 91 2.898 6.626 -1.271 1.00 0.00 C ATOM 751 O TYR A 91 3.765 6.347 -2.101 1.00 0.00 O ATOM 752 CB TYR A 91 2.408 4.344 -0.240 1.00 0.00 C ATOM 753 CG TYR A 91 3.338 4.679 0.938 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.835 5.252 2.109 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.720 4.464 0.861 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.673 5.596 3.152 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.552 4.795 1.905 1.00 0.00 C ATOM 758 CZ TYR A 91 5.031 5.360 3.043 1.00 0.00 C ATOM 759 OH TYR A 91 5.872 5.717 4.071 1.00 0.00 O ATOM 0 H TYR A 91 1.641 4.639 -2.772 1.00 0.00 H new ATOM 0 HA TYR A 91 1.099 6.055 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.600 3.705 0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.965 3.772 -0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.773 5.429 2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.140 4.030 -0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.270 6.046 4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.614 4.611 1.830 1.00 0.00 H new ATOM 0 HH TYR A 91 6.774 5.381 3.887 1.00 0.00 H new ATOM 769 N LYS A 92 2.827 7.812 -0.651 1.00 0.00 N ATOM 770 CA LYS A 92 3.875 8.845 -0.741 1.00 0.00 C ATOM 771 C LYS A 92 4.693 8.849 0.561 1.00 0.00 C ATOM 772 O LYS A 92 4.146 9.078 1.644 1.00 0.00 O ATOM 773 CB LYS A 92 3.216 10.229 -0.987 1.00 0.00 C ATOM 774 CG LYS A 92 2.426 10.312 -2.311 1.00 0.00 C ATOM 775 CD LYS A 92 1.685 11.654 -2.473 1.00 0.00 C ATOM 776 CE LYS A 92 0.902 11.745 -3.790 1.00 0.00 C ATOM 777 NZ LYS A 92 1.797 11.770 -4.975 1.00 0.00 N ATOM 0 H LYS A 92 2.036 8.086 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 92 4.545 8.630 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.545 10.455 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.991 10.996 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.111 10.175 -3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.705 9.495 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.998 11.788 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.406 12.470 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.224 10.895 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.286 12.644 -3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.231 11.917 -5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.483 12.545 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.305 10.865 -5.046 1.00 0.00 H new ATOM 791 N GLY A 93 5.988 8.551 0.441 1.00 0.00 N ATOM 792 CA GLY A 93 6.925 8.553 1.573 1.00 0.00 C ATOM 793 C GLY A 93 7.949 7.441 1.451 1.00 0.00 C ATOM 794 O GLY A 93 7.878 6.634 0.514 1.00 0.00 O ATOM 0 H GLY A 93 6.421 8.300 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.435 9.515 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.371 8.438 2.505 1.00 0.00 H new ATOM 798 N ALA A 94 8.900 7.391 2.395 1.00 0.00 N ATOM 799 CA ALA A 94 9.941 6.354 2.418 1.00 0.00 C ATOM 800 C ALA A 94 9.301 4.967 2.635 1.00 0.00 C ATOM 801 O ALA A 94 8.686 4.715 3.677 1.00 0.00 O ATOM 802 CB ALA A 94 10.977 6.657 3.508 1.00 0.00 C ATOM 0 H ALA A 94 8.969 8.063 3.159 1.00 0.00 H new ATOM 0 HA ALA A 94 10.456 6.349 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.740 5.879 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.443 7.622 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.485 6.686 4.480 1.00 0.00 H new ATOM 808 N VAL A 95 9.431 4.100 1.630 1.00 0.00 N ATOM 809 CA VAL A 95 8.816 2.765 1.629 1.00 0.00 C ATOM 810 C VAL A 95 9.676 1.803 2.472 1.00 0.00 C ATOM 811 O VAL A 95 10.893 1.750 2.251 1.00 0.00 O ATOM 812 CB VAL A 95 8.677 2.223 0.158 1.00 0.00 C ATOM 813 CG1 VAL A 95 7.940 0.864 0.117 1.00 0.00 C ATOM 814 CG2 VAL A 95 7.981 3.268 -0.736 1.00 0.00 C ATOM 0 H VAL A 95 9.969 4.302 0.787 1.00 0.00 H new ATOM 0 HA VAL A 95 7.819 2.833 2.064 1.00 0.00 H new ATOM 0 HB VAL A 95 9.680 2.052 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.864 0.523 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.496 0.131 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.940 0.979 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.892 2.878 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.988 3.481 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.570 4.185 -0.750 1.00 0.00 H new ATOM 824 N PRO A 96 9.068 1.072 3.478 1.00 0.00 N ATOM 825 CA PRO A 96 9.778 0.059 4.298 1.00 0.00 C ATOM 826 C PRO A 96 10.624 -0.914 3.446 1.00 0.00 C ATOM 827 O PRO A 96 10.194 -1.334 2.372 1.00 0.00 O ATOM 828 CB PRO A 96 8.620 -0.691 5.012 1.00 0.00 C ATOM 829 CG PRO A 96 7.547 0.341 5.158 1.00 0.00 C ATOM 830 CD PRO A 96 7.638 1.197 3.906 1.00 0.00 C ATOM 0 HA PRO A 96 10.495 0.515 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.276 -1.543 4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.934 -1.078 5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.565 -0.123 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.698 0.940 6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.958 0.843 3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.373 2.234 4.113 1.00 0.00 H new ATOM 838 N ASP A 97 11.832 -1.240 3.923 1.00 0.00 N ATOM 839 CA ASP A 97 12.743 -2.194 3.251 1.00 0.00 C ATOM 840 C ASP A 97 12.183 -3.631 3.294 1.00 0.00 C ATOM 841 O ASP A 97 12.531 -4.468 2.453 1.00 0.00 O ATOM 842 CB ASP A 97 14.142 -2.144 3.912 1.00 0.00 C ATOM 843 CG ASP A 97 14.805 -0.764 3.799 1.00 0.00 C ATOM 844 OD1 ASP A 97 14.472 0.133 4.603 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.640 -0.555 2.889 1.00 0.00 O ATOM 0 H ASP A 97 12.212 -0.853 4.787 1.00 0.00 H new ATOM 0 HA ASP A 97 12.829 -1.901 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.051 -2.413 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.786 -2.890 3.446 1.00 0.00 H new ATOM 850 N THR A 98 11.316 -3.893 4.292 1.00 0.00 N ATOM 851 CA THR A 98 10.590 -5.173 4.441 1.00 0.00 C ATOM 852 C THR A 98 9.420 -5.298 3.423 1.00 0.00 C ATOM 853 O THR A 98 8.858 -6.384 3.251 1.00 0.00 O ATOM 854 CB THR A 98 10.072 -5.338 5.914 1.00 0.00 C ATOM 855 OG1 THR A 98 9.421 -6.611 6.110 1.00 0.00 O ATOM 856 CG2 THR A 98 9.127 -4.197 6.323 1.00 0.00 C ATOM 0 H THR A 98 11.097 -3.217 5.024 1.00 0.00 H new ATOM 0 HA THR A 98 11.291 -5.979 4.224 1.00 0.00 H new ATOM 0 HB THR A 98 10.952 -5.297 6.555 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.977 -6.883 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.793 -4.351 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.654 -3.245 6.252 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.263 -4.184 5.658 1.00 0.00 H new ATOM 864 N PHE A 99 9.058 -4.173 2.771 1.00 0.00 N ATOM 865 CA PHE A 99 8.040 -4.155 1.703 1.00 0.00 C ATOM 866 C PHE A 99 8.627 -4.805 0.439 1.00 0.00 C ATOM 867 O PHE A 99 9.769 -4.517 0.051 1.00 0.00 O ATOM 868 CB PHE A 99 7.563 -2.705 1.414 1.00 0.00 C ATOM 869 CG PHE A 99 6.475 -2.577 0.341 1.00 0.00 C ATOM 870 CD1 PHE A 99 6.803 -2.430 -1.013 1.00 0.00 C ATOM 871 CD2 PHE A 99 5.128 -2.598 0.686 1.00 0.00 C ATOM 872 CE1 PHE A 99 5.822 -2.312 -1.974 1.00 0.00 C ATOM 873 CE2 PHE A 99 4.148 -2.476 -0.278 1.00 0.00 C ATOM 874 CZ PHE A 99 4.496 -2.335 -1.607 1.00 0.00 C ATOM 0 H PHE A 99 9.461 -3.257 2.970 1.00 0.00 H new ATOM 0 HA PHE A 99 7.168 -4.723 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.189 -2.271 2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.424 -2.111 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.842 -2.409 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.845 -2.711 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.094 -2.202 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.107 -2.491 0.008 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.727 -2.243 -2.359 1.00 0.00 H new ATOM 884 N LYS A 100 7.824 -5.659 -0.196 1.00 0.00 N ATOM 885 CA LYS A 100 8.213 -6.430 -1.384 1.00 0.00 C ATOM 886 C LYS A 100 6.932 -6.822 -2.165 1.00 0.00 C ATOM 887 O LYS A 100 5.821 -6.728 -1.619 1.00 0.00 O ATOM 888 CB LYS A 100 9.015 -7.706 -0.952 1.00 0.00 C ATOM 889 CG LYS A 100 8.198 -8.683 -0.089 1.00 0.00 C ATOM 890 CD LYS A 100 8.932 -9.985 0.286 1.00 0.00 C ATOM 891 CE LYS A 100 8.048 -10.897 1.162 1.00 0.00 C ATOM 892 NZ LYS A 100 8.707 -12.178 1.483 1.00 0.00 N ATOM 0 H LYS A 100 6.866 -5.840 0.104 1.00 0.00 H new ATOM 0 HA LYS A 100 8.855 -5.829 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.363 -8.226 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.901 -7.398 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.900 -8.174 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.283 -8.939 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.219 -10.517 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.852 -9.745 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.799 -10.377 2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.109 -11.094 0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.074 -12.756 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.921 -12.688 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.590 -11.994 2.000 1.00 0.00 H new ATOM 906 N PRO A 101 7.045 -7.238 -3.462 1.00 0.00 N ATOM 907 CA PRO A 101 5.917 -7.854 -4.200 1.00 0.00 C ATOM 908 C PRO A 101 5.495 -9.196 -3.566 1.00 0.00 C ATOM 909 O PRO A 101 6.275 -10.151 -3.571 1.00 0.00 O ATOM 910 CB PRO A 101 6.485 -8.058 -5.637 1.00 0.00 C ATOM 911 CG PRO A 101 7.672 -7.146 -5.717 1.00 0.00 C ATOM 912 CD PRO A 101 8.248 -7.101 -4.328 1.00 0.00 C ATOM 0 HA PRO A 101 5.018 -7.237 -4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.773 -9.096 -5.804 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.742 -7.807 -6.394 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.405 -7.520 -6.432 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.379 -6.151 -6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.960 -7.909 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.776 -6.166 -4.140 1.00 0.00 H new ATOM 920 N GLY A 102 4.291 -9.236 -2.972 1.00 0.00 N ATOM 921 CA GLY A 102 3.739 -10.471 -2.391 1.00 0.00 C ATOM 922 C GLY A 102 3.752 -10.491 -0.864 1.00 0.00 C ATOM 923 O GLY A 102 3.336 -11.493 -0.269 1.00 0.00 O ATOM 0 H GLY A 102 3.680 -8.425 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.714 -10.599 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.309 -11.323 -2.761 1.00 0.00 H new ATOM 927 N VAL A 103 4.240 -9.407 -0.223 1.00 0.00 N ATOM 928 CA VAL A 103 4.183 -9.270 1.254 1.00 0.00 C ATOM 929 C VAL A 103 2.769 -8.862 1.691 1.00 0.00 C ATOM 930 O VAL A 103 2.047 -8.196 0.943 1.00 0.00 O ATOM 931 CB VAL A 103 5.229 -8.213 1.795 1.00 0.00 C ATOM 932 CG1 VAL A 103 4.860 -6.761 1.410 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.452 -8.352 3.321 1.00 0.00 C ATOM 0 H VAL A 103 4.676 -8.617 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 103 4.439 -10.241 1.679 1.00 0.00 H new ATOM 0 HB VAL A 103 6.174 -8.439 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.611 -6.077 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.824 -6.670 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.885 -6.510 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.177 -7.608 3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.508 -8.196 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.829 -9.350 3.544 1.00 0.00 H new ATOM 943 N GLU A 104 2.366 -9.283 2.891 1.00 0.00 N ATOM 944 CA GLU A 104 1.155 -8.779 3.526 1.00 0.00 C ATOM 945 C GLU A 104 1.481 -7.451 4.210 1.00 0.00 C ATOM 946 O GLU A 104 2.524 -7.329 4.856 1.00 0.00 O ATOM 947 CB GLU A 104 0.595 -9.812 4.526 1.00 0.00 C ATOM 948 CG GLU A 104 0.214 -11.152 3.865 1.00 0.00 C ATOM 949 CD GLU A 104 -0.450 -12.137 4.830 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.625 -11.919 5.182 1.00 0.00 O ATOM 951 OE2 GLU A 104 0.197 -13.114 5.264 1.00 0.00 O ATOM 0 H GLU A 104 2.868 -9.978 3.444 1.00 0.00 H new ATOM 0 HA GLU A 104 0.381 -8.612 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.337 -9.995 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.284 -9.394 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.462 -10.959 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.110 -11.611 3.448 1.00 0.00 H new ATOM 958 N VAL A 105 0.601 -6.460 4.019 1.00 0.00 N ATOM 959 CA VAL A 105 0.774 -5.094 4.541 1.00 0.00 C ATOM 960 C VAL A 105 -0.479 -4.609 5.286 1.00 0.00 C ATOM 961 O VAL A 105 -1.577 -5.163 5.143 1.00 0.00 O ATOM 962 CB VAL A 105 1.132 -4.049 3.410 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.539 -4.302 2.826 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.052 -4.016 2.292 1.00 0.00 C ATOM 0 H VAL A 105 -0.263 -6.584 3.491 1.00 0.00 H new ATOM 0 HA VAL A 105 1.612 -5.152 5.235 1.00 0.00 H new ATOM 0 HB VAL A 105 1.144 -3.065 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.750 -3.564 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.282 -4.218 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.579 -5.302 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.335 -3.286 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.028 -5.002 1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.910 -3.737 2.723 1.00 0.00 H new ATOM 974 N ILE A 106 -0.249 -3.568 6.092 1.00 0.00 N ATOM 975 CA ILE A 106 -1.265 -2.752 6.744 1.00 0.00 C ATOM 976 C ILE A 106 -1.083 -1.312 6.232 1.00 0.00 C ATOM 977 O ILE A 106 -0.054 -0.676 6.504 1.00 0.00 O ATOM 978 CB ILE A 106 -1.112 -2.771 8.312 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.208 -4.231 8.854 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.151 -1.837 8.992 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.054 -4.380 10.362 1.00 0.00 C ATOM 0 H ILE A 106 0.698 -3.261 6.315 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.254 -3.146 6.511 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.124 -2.386 8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.172 -4.646 8.562 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.441 -4.833 8.366 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.019 -1.872 10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.005 -0.815 8.642 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.158 -2.167 8.738 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.137 -5.432 10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.078 -4.002 10.667 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.837 -3.813 10.865 1.00 0.00 H new ATOM 993 N ILE A 107 -2.057 -0.835 5.451 1.00 0.00 N ATOM 994 CA ILE A 107 -2.084 0.547 4.938 1.00 0.00 C ATOM 995 C ILE A 107 -3.043 1.388 5.796 1.00 0.00 C ATOM 996 O ILE A 107 -4.086 0.901 6.240 1.00 0.00 O ATOM 997 CB ILE A 107 -2.501 0.592 3.414 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.900 -0.058 3.180 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.425 -0.084 2.530 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.385 -0.039 1.737 1.00 0.00 C ATOM 0 H ILE A 107 -2.855 -1.396 5.153 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.080 0.965 5.005 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.575 1.640 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.865 -1.092 3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.632 0.459 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.733 -0.041 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.475 0.438 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.308 -1.125 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.365 -0.513 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.458 0.992 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.679 -0.583 1.109 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.661 2.643 6.036 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.414 3.585 6.866 1.00 0.00 C ATOM 1014 C GLU A 108 -3.363 4.957 6.181 1.00 0.00 C ATOM 1015 O GLU A 108 -2.277 5.457 5.878 1.00 0.00 O ATOM 1016 CB GLU A 108 -2.784 3.645 8.287 1.00 0.00 C ATOM 1017 CG GLU A 108 -3.466 4.602 9.289 1.00 0.00 C ATOM 1018 CD GLU A 108 -4.822 4.086 9.801 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -5.861 4.372 9.180 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -4.848 3.390 10.833 1.00 0.00 O ATOM 0 H GLU A 108 -1.804 3.041 5.652 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.452 3.270 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.794 2.640 8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.739 3.939 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.802 4.760 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.611 5.572 8.813 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.534 5.546 5.923 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.634 6.797 5.177 1.00 0.00 C ATOM 1029 C GLY A 109 -6.079 7.123 4.858 1.00 0.00 C ATOM 1030 O GLY A 109 -6.822 7.542 5.742 1.00 0.00 O ATOM 0 H GLY A 109 -5.433 5.169 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.194 7.608 5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.062 6.720 4.252 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.493 6.955 3.595 1.00 0.00 N ATOM 1035 CA GLY A 110 -7.903 7.057 3.255 1.00 0.00 C ATOM 1036 C GLY A 110 -8.159 6.871 1.780 1.00 0.00 C ATOM 1037 O GLY A 110 -7.352 7.287 0.940 1.00 0.00 O ATOM 0 H GLY A 110 -5.876 6.751 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.463 6.308 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.278 8.032 3.565 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.278 6.215 1.470 1.00 0.00 N ATOM 1042 CA LEU A 111 -9.814 6.121 0.113 1.00 0.00 C ATOM 1043 C LEU A 111 -10.778 7.299 -0.101 1.00 0.00 C ATOM 1044 O LEU A 111 -11.798 7.412 0.595 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.538 4.767 -0.077 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.276 4.552 -1.437 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.308 4.593 -2.634 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -12.093 3.245 -1.414 1.00 0.00 C ATOM 0 H LEU A 111 -9.845 5.728 2.164 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.010 6.170 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.805 3.969 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.266 4.654 0.727 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.970 5.382 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.865 4.439 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.811 5.563 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.561 3.806 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.599 3.115 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.425 2.401 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.834 3.293 -0.616 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.424 8.178 -1.041 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.168 9.412 -1.304 1.00 0.00 C ATOM 1062 C ALA A 112 -12.377 9.120 -2.225 1.00 0.00 C ATOM 1063 O ALA A 112 -12.193 8.494 -3.273 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.229 10.463 -1.921 1.00 0.00 C ATOM 0 H ALA A 112 -9.610 8.054 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.555 9.812 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.786 11.379 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.414 10.674 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.821 10.081 -2.857 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.637 9.529 -1.828 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.836 9.404 -2.697 1.00 0.00 C ATOM 1072 C PRO A 113 -14.681 10.208 -4.007 1.00 0.00 C ATOM 1073 O PRO A 113 -14.889 11.423 -4.027 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.006 9.936 -1.814 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.486 9.847 -0.409 1.00 0.00 C ATOM 1076 CD PRO A 113 -13.997 10.105 -0.502 1.00 0.00 C ATOM 0 HA PRO A 113 -15.006 8.379 -3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.267 10.961 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.906 9.335 -1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.970 10.582 0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.687 8.865 0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.768 11.169 -0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.453 9.621 0.309 1.00 0.00 H new ATOM 1084 N GLY A 114 -14.238 9.520 -5.066 1.00 0.00 N ATOM 1085 CA GLY A 114 -13.909 10.140 -6.352 1.00 0.00 C ATOM 1086 C GLY A 114 -12.674 9.485 -6.963 1.00 0.00 C ATOM 1087 O GLY A 114 -12.616 9.222 -8.175 1.00 0.00 O ATOM 0 H GLY A 114 -14.097 8.510 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.753 10.044 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.731 11.206 -6.213 1.00 0.00 H new ATOM 1091 N GLU A 115 -11.685 9.207 -6.088 1.00 0.00 N ATOM 1092 CA GLU A 115 -10.463 8.471 -6.438 1.00 0.00 C ATOM 1093 C GLU A 115 -10.688 6.963 -6.255 1.00 0.00 C ATOM 1094 O GLU A 115 -11.277 6.529 -5.260 1.00 0.00 O ATOM 1095 CB GLU A 115 -9.265 8.941 -5.566 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.895 10.424 -5.745 1.00 0.00 C ATOM 1097 CD GLU A 115 -7.648 10.827 -4.945 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -6.538 10.393 -5.313 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -7.761 11.601 -3.967 1.00 0.00 O ATOM 0 H GLU A 115 -11.718 9.493 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.227 8.674 -7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.502 8.762 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.395 8.330 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.724 10.626 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.736 11.044 -5.434 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.236 6.177 -7.241 1.00 0.00 N ATOM 1107 CA ASP A 116 -10.231 4.706 -7.160 1.00 0.00 C ATOM 1108 C ASP A 116 -9.092 4.234 -6.250 1.00 0.00 C ATOM 1109 O ASP A 116 -9.172 3.163 -5.646 1.00 0.00 O ATOM 1110 CB ASP A 116 -10.077 4.064 -8.563 1.00 0.00 C ATOM 1111 CG ASP A 116 -11.254 4.369 -9.503 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -12.283 3.668 -9.435 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -11.161 5.305 -10.326 1.00 0.00 O ATOM 0 H ASP A 116 -9.863 6.541 -8.118 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.187 4.391 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.154 4.422 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.980 2.984 -8.452 1.00 0.00 H new ATOM 1118 N THR A 117 -8.028 5.050 -6.156 1.00 0.00 N ATOM 1119 CA THR A 117 -6.826 4.691 -5.403 1.00 0.00 C ATOM 1120 C THR A 117 -6.986 5.026 -3.911 1.00 0.00 C ATOM 1121 O THR A 117 -7.510 6.093 -3.550 1.00 0.00 O ATOM 1122 CB THR A 117 -5.541 5.384 -5.975 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.364 4.895 -5.298 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.577 6.920 -5.875 1.00 0.00 C ATOM 0 H THR A 117 -7.982 5.968 -6.598 1.00 0.00 H new ATOM 0 HA THR A 117 -6.700 3.614 -5.511 1.00 0.00 H new ATOM 0 HB THR A 117 -5.509 5.129 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.540 3.999 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.657 7.333 -6.289 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.431 7.301 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.669 7.214 -4.830 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.562 4.089 -3.046 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.415 4.332 -1.616 1.00 0.00 C ATOM 1134 C PHE A 118 -5.119 5.120 -1.415 1.00 0.00 C ATOM 1135 O PHE A 118 -4.035 4.645 -1.768 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.360 2.993 -0.830 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.258 3.151 0.692 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.032 3.414 1.318 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.385 3.036 1.497 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -4.946 3.555 2.685 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -7.290 3.174 2.865 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.074 3.433 3.456 1.00 0.00 C ATOM 0 H PHE A 118 -6.313 3.141 -3.328 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.270 4.894 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.253 2.413 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.504 2.416 -1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.139 3.508 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.346 2.836 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -3.993 3.761 3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -8.175 3.078 3.477 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.008 3.540 4.529 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.235 6.313 -0.858 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.095 7.184 -0.599 1.00 0.00 C ATOM 1154 C LYS A 119 -3.523 6.850 0.788 1.00 0.00 C ATOM 1155 O LYS A 119 -4.060 7.283 1.812 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.571 8.648 -0.710 1.00 0.00 C ATOM 1157 CG LYS A 119 -3.461 9.716 -0.678 1.00 0.00 C ATOM 1158 CD LYS A 119 -4.017 11.121 -1.005 1.00 0.00 C ATOM 1159 CE LYS A 119 -4.662 11.194 -2.404 1.00 0.00 C ATOM 1160 NZ LYS A 119 -5.346 12.488 -2.639 1.00 0.00 N ATOM 0 H LYS A 119 -6.129 6.710 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.296 7.035 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.130 8.759 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.266 8.848 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.995 9.728 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.683 9.455 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.756 11.399 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.209 11.851 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.895 11.048 -3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.379 10.381 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.246 12.320 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.532 12.953 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.740 13.100 -3.222 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.471 6.009 0.808 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.809 5.569 2.045 1.00 0.00 C ATOM 1176 C ALA A 120 -0.905 6.685 2.583 1.00 0.00 C ATOM 1177 O ALA A 120 0.062 7.085 1.922 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.006 4.272 1.803 1.00 0.00 C ATOM 0 H ALA A 120 -2.057 5.616 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.571 5.353 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.524 3.964 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.680 3.485 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.247 4.451 1.042 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.254 7.189 3.771 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.504 8.241 4.471 1.00 0.00 C ATOM 1186 C ARG A 121 0.716 7.627 5.168 1.00 0.00 C ATOM 1187 O ARG A 121 1.815 8.185 5.152 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.434 8.926 5.508 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.854 10.178 6.209 1.00 0.00 C ATOM 1190 CD ARG A 121 -0.471 11.283 5.205 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.555 11.550 4.242 1.00 0.00 N ATOM 1192 CZ ARG A 121 -1.409 12.131 3.036 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -0.231 12.610 2.649 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -2.447 12.219 2.222 1.00 0.00 N ATOM 0 H ARG A 121 -2.078 6.874 4.283 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.157 8.987 3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.359 9.209 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.697 8.194 6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.587 10.569 6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.025 9.894 6.787 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.232 12.199 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.429 10.988 4.666 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.498 11.270 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.576 12.540 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.135 13.048 1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.353 11.848 2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.342 12.658 1.307 1.00 0.00 H new ATOM 1208 N THR A 122 0.489 6.453 5.772 1.00 0.00 N ATOM 1209 CA THR A 122 1.490 5.710 6.535 1.00 0.00 C ATOM 1210 C THR A 122 1.455 4.240 6.071 1.00 0.00 C ATOM 1211 O THR A 122 0.371 3.704 5.795 1.00 0.00 O ATOM 1212 CB THR A 122 1.229 5.805 8.085 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.067 5.293 8.394 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.321 7.249 8.618 1.00 0.00 C ATOM 0 H THR A 122 -0.417 5.986 5.741 1.00 0.00 H new ATOM 0 HA THR A 122 2.474 6.143 6.353 1.00 0.00 H new ATOM 0 HB THR A 122 2.008 5.214 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.221 5.354 9.360 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.132 7.253 9.692 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.317 7.646 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.579 7.870 8.117 1.00 0.00 H new ATOM 1222 N LEU A 123 2.633 3.606 5.961 1.00 0.00 N ATOM 1223 CA LEU A 123 2.754 2.212 5.487 1.00 0.00 C ATOM 1224 C LEU A 123 3.560 1.385 6.490 1.00 0.00 C ATOM 1225 O LEU A 123 4.502 1.881 7.112 1.00 0.00 O ATOM 1226 CB LEU A 123 3.432 2.170 4.083 1.00 0.00 C ATOM 1227 CG LEU A 123 3.567 0.772 3.386 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.196 0.099 3.196 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.321 0.895 2.040 1.00 0.00 C ATOM 0 H LEU A 123 3.526 4.040 6.196 1.00 0.00 H new ATOM 0 HA LEU A 123 1.755 1.785 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.869 2.825 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.431 2.596 4.179 1.00 0.00 H new ATOM 0 HG LEU A 123 4.154 0.132 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.329 -0.868 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.724 -0.045 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.562 0.733 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.401 -0.088 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.774 1.565 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.319 1.295 2.217 1.00 0.00 H new ATOM 1241 N MET A 124 3.147 0.128 6.643 1.00 0.00 N ATOM 1242 CA MET A 124 3.840 -0.885 7.441 1.00 0.00 C ATOM 1243 C MET A 124 3.475 -2.253 6.855 1.00 0.00 C ATOM 1244 O MET A 124 2.384 -2.411 6.307 1.00 0.00 O ATOM 1245 CB MET A 124 3.402 -0.791 8.934 1.00 0.00 C ATOM 1246 CG MET A 124 4.087 -1.794 9.883 1.00 0.00 C ATOM 1247 SD MET A 124 3.489 -1.698 11.591 1.00 0.00 S ATOM 1248 CE MET A 124 1.750 -2.085 11.411 1.00 0.00 C ATOM 0 H MET A 124 2.297 -0.225 6.203 1.00 0.00 H new ATOM 0 HA MET A 124 4.919 -0.732 7.408 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.603 0.219 9.292 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.324 -0.941 8.990 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.928 -2.805 9.507 1.00 0.00 H new ATOM 0 HG3 MET A 124 5.162 -1.616 9.872 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.454 -2.795 12.183 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.162 -1.173 11.512 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.574 -2.523 10.428 1.00 0.00 H new ATOM 1258 N THR A 125 4.383 -3.232 6.923 1.00 0.00 N ATOM 1259 CA THR A 125 4.048 -4.621 6.574 1.00 0.00 C ATOM 1260 C THR A 125 3.395 -5.303 7.784 1.00 0.00 C ATOM 1261 O THR A 125 3.615 -4.906 8.931 1.00 0.00 O ATOM 1262 CB THR A 125 5.303 -5.420 6.098 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.322 -5.375 7.108 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.857 -4.870 4.771 1.00 0.00 C ATOM 0 H THR A 125 5.350 -3.092 7.214 1.00 0.00 H new ATOM 0 HA THR A 125 3.347 -4.608 5.740 1.00 0.00 H new ATOM 0 HB THR A 125 4.997 -6.453 5.930 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.037 -6.004 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.729 -5.451 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.091 -4.942 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.144 -3.826 4.901 1.00 0.00 H new ATOM 1272 N LYS A 126 2.558 -6.299 7.520 1.00 0.00 N ATOM 1273 CA LYS A 126 1.916 -7.112 8.555 1.00 0.00 C ATOM 1274 C LYS A 126 2.816 -8.314 8.897 1.00 0.00 C ATOM 1275 O LYS A 126 2.893 -8.746 10.053 1.00 0.00 O ATOM 1276 CB LYS A 126 0.520 -7.547 8.049 1.00 0.00 C ATOM 1277 CG LYS A 126 -0.412 -8.105 9.142 1.00 0.00 C ATOM 1278 CD LYS A 126 -1.867 -8.308 8.651 1.00 0.00 C ATOM 1279 CE LYS A 126 -1.979 -9.326 7.508 1.00 0.00 C ATOM 1280 NZ LYS A 126 -1.493 -10.673 7.911 1.00 0.00 N ATOM 0 H LYS A 126 2.301 -6.571 6.571 1.00 0.00 H new ATOM 0 HA LYS A 126 1.780 -6.540 9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.035 -6.691 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 126 0.648 -8.305 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.018 -9.057 9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.413 -7.424 9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.483 -8.639 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.269 -7.351 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.018 -9.397 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.404 -8.974 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.649 -11.345 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.477 -10.625 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.013 -10.992 8.753 1.00 0.00 H new ATOM 1294 N CYS A 127 3.509 -8.829 7.867 1.00 0.00 N ATOM 1295 CA CYS A 127 4.530 -9.876 8.012 1.00 0.00 C ATOM 1296 C CYS A 127 5.923 -9.292 7.660 1.00 0.00 C ATOM 1297 O CYS A 127 6.122 -8.819 6.535 1.00 0.00 O ATOM 1298 CB CYS A 127 4.183 -11.083 7.105 1.00 0.00 C ATOM 1299 SG CYS A 127 3.930 -10.684 5.360 1.00 0.00 S ATOM 0 H CYS A 127 3.374 -8.526 6.902 1.00 0.00 H new ATOM 0 HA CYS A 127 4.553 -10.227 9.044 1.00 0.00 H new ATOM 0 HB2 CYS A 127 4.985 -11.817 7.181 1.00 0.00 H new ATOM 0 HB3 CYS A 127 3.279 -11.557 7.488 1.00 0.00 H new ATOM 0 HG CYS A 127 3.649 -11.770 4.703 1.00 0.00 H new ATOM 1305 N PRO A 128 6.899 -9.264 8.623 1.00 0.00 N ATOM 1306 CA PRO A 128 8.285 -8.815 8.345 1.00 0.00 C ATOM 1307 C PRO A 128 9.155 -9.938 7.726 1.00 0.00 C ATOM 1308 O PRO A 128 8.760 -11.112 7.713 1.00 0.00 O ATOM 1309 CB PRO A 128 8.785 -8.403 9.748 1.00 0.00 C ATOM 1310 CG PRO A 128 8.091 -9.354 10.684 1.00 0.00 C ATOM 1311 CD PRO A 128 6.736 -9.658 10.053 1.00 0.00 C ATOM 0 HA PRO A 128 8.337 -8.012 7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 128 9.869 -8.489 9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 128 8.531 -7.367 9.973 1.00 0.00 H new ATOM 0 HG2 PRO A 128 8.673 -10.266 10.815 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.970 -8.909 11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.481 -10.713 10.148 1.00 0.00 H new ATOM 0 HD3 PRO A 128 5.938 -9.092 10.533 1.00 0.00 H new ATOM 1319 N LEU A 129 10.337 -9.559 7.207 1.00 0.00 N ATOM 1320 CA LEU A 129 11.301 -10.505 6.614 1.00 0.00 C ATOM 1321 C LEU A 129 12.030 -11.286 7.730 1.00 0.00 C ATOM 1322 O LEU A 129 13.014 -10.804 8.304 1.00 0.00 O ATOM 1323 CB LEU A 129 12.305 -9.740 5.700 1.00 0.00 C ATOM 1324 CG LEU A 129 11.676 -8.954 4.495 1.00 0.00 C ATOM 1325 CD1 LEU A 129 12.761 -8.252 3.645 1.00 0.00 C ATOM 1326 CD2 LEU A 129 10.798 -9.875 3.622 1.00 0.00 C ATOM 0 H LEU A 129 10.651 -8.589 7.187 1.00 0.00 H new ATOM 0 HA LEU A 129 10.768 -11.227 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.863 -9.035 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 129 13.025 -10.457 5.305 1.00 0.00 H new ATOM 0 HG LEU A 129 11.034 -8.179 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.288 -7.718 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.310 -7.545 4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.450 -8.997 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.377 -9.301 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.406 -10.688 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.990 -10.287 4.226 1.00 0.00 H new ATOM 1338 N GLU A 130 11.508 -12.482 8.044 1.00 0.00 N ATOM 1339 CA GLU A 130 11.993 -13.327 9.149 1.00 0.00 C ATOM 1340 C GLU A 130 12.307 -14.751 8.623 1.00 0.00 C ATOM 1341 O GLU A 130 13.488 -15.163 8.629 1.00 0.00 O ATOM 1342 CB GLU A 130 10.926 -13.365 10.279 1.00 0.00 C ATOM 1343 CG GLU A 130 11.335 -14.186 11.514 1.00 0.00 C ATOM 1344 CD GLU A 130 10.227 -14.276 12.578 1.00 0.00 C ATOM 1345 OE1 GLU A 130 9.393 -15.210 12.516 1.00 0.00 O ATOM 1346 OE2 GLU A 130 10.174 -13.408 13.474 1.00 0.00 O ATOM 0 H GLU A 130 10.728 -12.895 7.532 1.00 0.00 H new ATOM 0 HA GLU A 130 12.912 -12.909 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.710 -12.344 10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 130 10.001 -13.776 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 130 11.609 -15.193 11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 130 12.223 -13.739 11.961 1.00 0.00 H new TER 1353 GLU A 130