USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 545 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 Single : A 76 MET CE :methyl 166:sc= 0 (180deg=-0.388) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0234) USER MOD Single : A 97 ASN :FLIP amide:sc= 0.0232! F(o=-1.5,f=0.023!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.979 F(o=-2.2!,f=-0.98) USER MOD Single : A 109 MET CE :methyl -147:sc= -13.6! (180deg=-16.5!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 111 ASN : amide:sc= -5.53! C(o=-5.5!,f=-16!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc=-0.00428 (180deg=-0.00428) USER MOD Single : A 135 GLN : amide:sc= -4.39! C(o=-4.4!,f=-4.2!) USER MOD Single : A 137 ASN : amide:sc= -5.88! C(o=-5.9!,f=-12!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 143 GLN : amide:sc= -0.199 K(o=-0.2,f=-3.1!) USER MOD Single : A 144 MET CE :methyl -104:sc= -12.3! (180deg=-15.9!) USER MOD Single : A 145 MET CE :methyl 162:sc= -8.44! (180deg=-10.9!) USER MOD Single : A 146 THR OG1 : rot -55:sc= 1.2 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -4.546 -3.764 -21.132 1.00 0.00 N ATOM 2 CA MET A 76 -5.853 -4.260 -20.614 1.00 0.00 C ATOM 3 C MET A 76 -5.673 -4.768 -19.182 1.00 0.00 C ATOM 4 O MET A 76 -5.816 -5.943 -18.907 1.00 0.00 O ATOM 5 CB MET A 76 -6.350 -5.404 -21.502 1.00 0.00 C ATOM 6 CG MET A 76 -7.836 -5.649 -21.233 1.00 0.00 C ATOM 7 SD MET A 76 -8.594 -6.412 -22.690 1.00 0.00 S ATOM 8 CE MET A 76 -7.681 -7.973 -22.630 1.00 0.00 C ATOM 0 HA MET A 76 -6.581 -3.449 -20.623 1.00 0.00 H new ATOM 0 HB2 MET A 76 -6.195 -5.157 -22.552 1.00 0.00 H new ATOM 0 HB3 MET A 76 -5.779 -6.310 -21.300 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.958 -6.297 -20.365 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.335 -4.708 -21.001 1.00 0.00 H new ATOM 0 HE1 MET A 76 -8.159 -8.700 -23.287 1.00 0.00 H new ATOM 0 HE2 MET A 76 -6.655 -7.807 -22.958 1.00 0.00 H new ATOM 0 HE3 MET A 76 -7.678 -8.354 -21.609 1.00 0.00 H new ATOM 20 N LYS A 77 -5.359 -3.892 -18.265 1.00 0.00 N ATOM 21 CA LYS A 77 -5.172 -4.328 -16.853 1.00 0.00 C ATOM 22 C LYS A 77 -6.373 -3.890 -16.012 1.00 0.00 C ATOM 23 O LYS A 77 -6.470 -4.205 -14.843 1.00 0.00 O ATOM 24 CB LYS A 77 -3.897 -3.698 -16.288 1.00 0.00 C ATOM 25 CG LYS A 77 -4.062 -2.178 -16.229 1.00 0.00 C ATOM 26 CD LYS A 77 -2.698 -1.508 -16.410 1.00 0.00 C ATOM 27 CE LYS A 77 -2.670 -0.757 -17.742 1.00 0.00 C ATOM 28 NZ LYS A 77 -1.617 0.296 -17.694 1.00 0.00 N ATOM 0 H LYS A 77 -5.224 -2.895 -18.434 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.087 -5.414 -16.821 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.695 -4.091 -15.292 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.042 -3.958 -16.913 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.748 -1.846 -17.008 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.498 -1.886 -15.274 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.508 -0.818 -15.588 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.907 -2.258 -16.387 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.470 -1.450 -18.559 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.643 -0.306 -17.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.596 0.808 -18.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.827 0.963 -16.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.691 -0.146 -17.525 1.00 0.00 H new ATOM 42 N ASP A 78 -7.286 -3.172 -16.602 1.00 0.00 N ATOM 43 CA ASP A 78 -8.488 -2.711 -15.847 1.00 0.00 C ATOM 44 C ASP A 78 -8.077 -2.255 -14.444 1.00 0.00 C ATOM 45 O ASP A 78 -6.917 -2.013 -14.173 1.00 0.00 O ATOM 46 CB ASP A 78 -9.488 -3.863 -15.735 1.00 0.00 C ATOM 47 CG ASP A 78 -10.827 -3.439 -16.345 1.00 0.00 C ATOM 48 OD1 ASP A 78 -10.805 -2.783 -17.374 1.00 0.00 O ATOM 49 OD2 ASP A 78 -11.849 -3.777 -15.773 1.00 0.00 O ATOM 0 H ASP A 78 -7.253 -2.882 -17.579 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.947 -1.876 -16.376 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.104 -4.743 -16.251 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.624 -4.140 -14.690 1.00 0.00 H new ATOM 54 N THR A 79 -9.021 -2.139 -13.550 1.00 0.00 N ATOM 55 CA THR A 79 -8.691 -1.702 -12.163 1.00 0.00 C ATOM 56 C THR A 79 -9.001 -2.841 -11.189 1.00 0.00 C ATOM 57 O THR A 79 -9.424 -2.618 -10.072 1.00 0.00 O ATOM 58 CB THR A 79 -9.533 -0.476 -11.800 1.00 0.00 C ATOM 59 OG1 THR A 79 -9.302 0.553 -12.752 1.00 0.00 O ATOM 60 CG2 THR A 79 -9.143 0.017 -10.406 1.00 0.00 C ATOM 0 H THR A 79 -10.009 -2.328 -13.721 1.00 0.00 H new ATOM 0 HA THR A 79 -7.633 -1.445 -12.102 1.00 0.00 H new ATOM 0 HB THR A 79 -10.589 -0.744 -11.805 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.841 1.338 -12.522 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.743 0.890 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.321 -0.774 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.087 0.287 -10.398 1.00 0.00 H new ATOM 68 N ASP A 80 -8.797 -4.061 -11.605 1.00 0.00 N ATOM 69 CA ASP A 80 -9.082 -5.214 -10.706 1.00 0.00 C ATOM 70 C ASP A 80 -7.841 -5.532 -9.868 1.00 0.00 C ATOM 71 O ASP A 80 -7.657 -6.643 -9.411 1.00 0.00 O ATOM 72 CB ASP A 80 -9.455 -6.436 -11.548 1.00 0.00 C ATOM 73 CG ASP A 80 -10.191 -7.454 -10.673 1.00 0.00 C ATOM 74 OD1 ASP A 80 -9.568 -7.992 -9.774 1.00 0.00 O ATOM 75 OD2 ASP A 80 -11.364 -7.679 -10.921 1.00 0.00 O ATOM 0 H ASP A 80 -8.445 -4.309 -12.530 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.910 -4.960 -10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.086 -6.136 -12.384 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.557 -6.886 -11.972 1.00 0.00 H new ATOM 80 N SER A 81 -6.987 -4.567 -9.661 1.00 0.00 N ATOM 81 CA SER A 81 -5.761 -4.817 -8.852 1.00 0.00 C ATOM 82 C SER A 81 -5.887 -4.104 -7.505 1.00 0.00 C ATOM 83 O SER A 81 -5.946 -4.729 -6.465 1.00 0.00 O ATOM 84 CB SER A 81 -4.538 -4.285 -9.600 1.00 0.00 C ATOM 85 OG SER A 81 -3.636 -5.357 -9.845 1.00 0.00 O ATOM 0 H SER A 81 -7.086 -3.616 -10.017 1.00 0.00 H new ATOM 0 HA SER A 81 -5.646 -5.888 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.843 -3.828 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.048 -3.508 -9.013 1.00 0.00 H new ATOM 0 HG SER A 81 -2.851 -5.021 -10.326 1.00 0.00 H new ATOM 91 N GLU A 82 -5.931 -2.799 -7.513 1.00 0.00 N ATOM 92 CA GLU A 82 -6.056 -2.054 -6.229 1.00 0.00 C ATOM 93 C GLU A 82 -7.523 -2.029 -5.797 1.00 0.00 C ATOM 94 O GLU A 82 -7.890 -1.356 -4.855 1.00 0.00 O ATOM 95 CB GLU A 82 -5.548 -0.618 -6.405 1.00 0.00 C ATOM 96 CG GLU A 82 -4.459 -0.584 -7.478 1.00 0.00 C ATOM 97 CD GLU A 82 -5.036 -0.008 -8.773 1.00 0.00 C ATOM 98 OE1 GLU A 82 -5.829 0.915 -8.686 1.00 0.00 O ATOM 99 OE2 GLU A 82 -4.676 -0.500 -9.830 1.00 0.00 O ATOM 0 H GLU A 82 -5.886 -2.219 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.458 -2.552 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.372 0.037 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.153 -0.243 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.619 0.023 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.075 -1.589 -7.654 1.00 0.00 H new ATOM 106 N GLU A 83 -8.370 -2.758 -6.473 1.00 0.00 N ATOM 107 CA GLU A 83 -9.807 -2.771 -6.089 1.00 0.00 C ATOM 108 C GLU A 83 -9.932 -3.235 -4.638 1.00 0.00 C ATOM 109 O GLU A 83 -10.793 -2.794 -3.904 1.00 0.00 O ATOM 110 CB GLU A 83 -10.570 -3.728 -7.000 1.00 0.00 C ATOM 111 CG GLU A 83 -9.734 -4.984 -7.200 1.00 0.00 C ATOM 112 CD GLU A 83 -10.553 -6.216 -6.808 1.00 0.00 C ATOM 113 OE1 GLU A 83 -11.483 -6.063 -6.033 1.00 0.00 O ATOM 114 OE2 GLU A 83 -10.235 -7.291 -7.289 1.00 0.00 O ATOM 0 H GLU A 83 -8.128 -3.343 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.224 -1.769 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.534 -3.982 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.774 -3.254 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.419 -5.061 -8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.828 -4.930 -6.596 1.00 0.00 H new ATOM 121 N GLU A 84 -9.071 -4.122 -4.220 1.00 0.00 N ATOM 122 CA GLU A 84 -9.127 -4.619 -2.818 1.00 0.00 C ATOM 123 C GLU A 84 -8.143 -3.819 -1.961 1.00 0.00 C ATOM 124 O GLU A 84 -8.412 -3.501 -0.819 1.00 0.00 O ATOM 125 CB GLU A 84 -8.743 -6.100 -2.788 1.00 0.00 C ATOM 126 CG GLU A 84 -9.371 -6.765 -1.561 1.00 0.00 C ATOM 127 CD GLU A 84 -10.333 -7.865 -2.012 1.00 0.00 C ATOM 128 OE1 GLU A 84 -10.115 -8.413 -3.080 1.00 0.00 O ATOM 129 OE2 GLU A 84 -11.271 -8.140 -1.282 1.00 0.00 O ATOM 0 H GLU A 84 -8.329 -4.525 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.137 -4.498 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.085 -6.594 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.659 -6.205 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.593 -7.186 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.903 -6.024 -0.965 1.00 0.00 H new ATOM 136 N ILE A 85 -7.003 -3.489 -2.507 1.00 0.00 N ATOM 137 CA ILE A 85 -5.998 -2.707 -1.733 1.00 0.00 C ATOM 138 C ILE A 85 -6.659 -1.451 -1.167 1.00 0.00 C ATOM 139 O ILE A 85 -6.663 -1.225 0.027 1.00 0.00 O ATOM 140 CB ILE A 85 -4.848 -2.298 -2.661 1.00 0.00 C ATOM 141 CG1 ILE A 85 -3.895 -3.479 -2.839 1.00 0.00 C ATOM 142 CG2 ILE A 85 -4.080 -1.114 -2.058 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.341 -3.478 -4.264 1.00 0.00 C ATOM 0 H ILE A 85 -6.725 -3.729 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.612 -3.317 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.258 -2.004 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.078 -3.412 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.418 -4.415 -2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.265 -0.831 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.756 -0.268 -1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.673 -1.400 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.661 -4.321 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.163 -3.565 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.803 -2.547 -4.445 1.00 0.00 H new ATOM 155 N ARG A 86 -7.191 -0.626 -2.030 1.00 0.00 N ATOM 156 CA ARG A 86 -7.835 0.637 -1.580 1.00 0.00 C ATOM 157 C ARG A 86 -8.524 0.441 -0.242 1.00 0.00 C ATOM 158 O ARG A 86 -8.212 1.097 0.718 1.00 0.00 O ATOM 159 CB ARG A 86 -8.889 1.069 -2.598 1.00 0.00 C ATOM 160 CG ARG A 86 -8.716 2.550 -2.917 1.00 0.00 C ATOM 161 CD ARG A 86 -9.276 3.391 -1.768 1.00 0.00 C ATOM 162 NE ARG A 86 -10.586 3.976 -2.171 1.00 0.00 N ATOM 163 CZ ARG A 86 -11.635 3.208 -2.287 1.00 0.00 C ATOM 164 NH1 ARG A 86 -12.304 2.852 -1.224 1.00 0.00 N ATOM 165 NH2 ARG A 86 -12.017 2.800 -3.466 1.00 0.00 N ATOM 0 H ARG A 86 -7.205 -0.778 -3.039 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.059 1.396 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.794 0.477 -3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.888 0.886 -2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.661 2.779 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.232 2.795 -3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.400 2.773 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.575 4.185 -1.510 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.663 4.976 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.007 3.174 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.124 2.252 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.496 3.081 -4.297 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.837 2.200 -3.557 1.00 0.00 H new ATOM 179 N GLU A 87 -9.471 -0.444 -0.170 1.00 0.00 N ATOM 180 CA GLU A 87 -10.177 -0.647 1.116 1.00 0.00 C ATOM 181 C GLU A 87 -9.149 -0.911 2.218 1.00 0.00 C ATOM 182 O GLU A 87 -9.166 -0.284 3.256 1.00 0.00 O ATOM 183 CB GLU A 87 -11.133 -1.835 0.997 1.00 0.00 C ATOM 184 CG GLU A 87 -11.659 -2.206 2.382 1.00 0.00 C ATOM 185 CD GLU A 87 -13.185 -2.113 2.391 1.00 0.00 C ATOM 186 OE1 GLU A 87 -13.692 -1.003 2.368 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.822 -3.153 2.421 1.00 0.00 O ATOM 0 H GLU A 87 -9.785 -1.032 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.752 0.245 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.963 -1.583 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.618 -2.686 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.344 -3.216 2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.239 -1.537 3.133 1.00 0.00 H new ATOM 194 N ALA A 88 -8.243 -1.822 1.994 1.00 0.00 N ATOM 195 CA ALA A 88 -7.207 -2.104 3.026 1.00 0.00 C ATOM 196 C ALA A 88 -6.054 -1.116 2.843 1.00 0.00 C ATOM 197 O ALA A 88 -4.964 -1.491 2.472 1.00 0.00 O ATOM 198 CB ALA A 88 -6.688 -3.535 2.857 1.00 0.00 C ATOM 0 H ALA A 88 -8.175 -2.382 1.144 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.636 -1.997 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.930 -3.739 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.514 -4.237 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.251 -3.649 1.865 1.00 0.00 H new ATOM 204 N PHE A 89 -6.307 0.145 3.097 1.00 0.00 N ATOM 205 CA PHE A 89 -5.257 1.200 2.941 1.00 0.00 C ATOM 206 C PHE A 89 -5.934 2.568 2.969 1.00 0.00 C ATOM 207 O PHE A 89 -5.318 3.575 3.259 1.00 0.00 O ATOM 208 CB PHE A 89 -4.535 1.045 1.599 1.00 0.00 C ATOM 209 CG PHE A 89 -3.103 1.488 1.751 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.288 0.920 2.737 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.593 2.473 0.904 1.00 0.00 C ATOM 212 CE1 PHE A 89 -0.959 1.338 2.869 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.268 2.895 1.037 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.450 2.326 2.019 1.00 0.00 C ATOM 0 H PHE A 89 -7.213 0.493 3.411 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.533 1.103 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.574 0.007 1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.033 1.641 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.684 0.160 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.224 2.910 0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.327 0.898 3.626 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.876 3.659 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.575 2.650 2.121 1.00 0.00 H new ATOM 224 N ARG A 90 -7.203 2.611 2.672 1.00 0.00 N ATOM 225 CA ARG A 90 -7.931 3.896 2.681 1.00 0.00 C ATOM 226 C ARG A 90 -8.297 4.237 4.125 1.00 0.00 C ATOM 227 O ARG A 90 -8.770 5.313 4.429 1.00 0.00 O ATOM 228 CB ARG A 90 -9.185 3.771 1.799 1.00 0.00 C ATOM 229 CG ARG A 90 -10.439 3.514 2.640 1.00 0.00 C ATOM 230 CD ARG A 90 -10.231 2.311 3.552 1.00 0.00 C ATOM 231 NE ARG A 90 -11.384 1.393 3.376 1.00 0.00 N ATOM 232 CZ ARG A 90 -11.977 0.874 4.418 1.00 0.00 C ATOM 233 NH1 ARG A 90 -11.374 -0.038 5.132 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.177 1.268 4.746 1.00 0.00 N ATOM 0 H ARG A 90 -7.767 1.798 2.422 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.312 4.698 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.316 4.684 1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.050 2.957 1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.670 4.396 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.293 3.339 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.299 1.803 3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.154 2.630 4.591 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.715 1.167 2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.436 -0.348 4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.841 -0.440 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.650 1.980 4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.642 0.864 5.559 1.00 0.00 H new ATOM 248 N VAL A 91 -8.073 3.314 5.015 1.00 0.00 N ATOM 249 CA VAL A 91 -8.390 3.546 6.441 1.00 0.00 C ATOM 250 C VAL A 91 -7.439 4.591 7.012 1.00 0.00 C ATOM 251 O VAL A 91 -7.554 4.989 8.154 1.00 0.00 O ATOM 252 CB VAL A 91 -8.192 2.238 7.199 1.00 0.00 C ATOM 253 CG1 VAL A 91 -8.227 2.505 8.705 1.00 0.00 C ATOM 254 CG2 VAL A 91 -9.300 1.257 6.815 1.00 0.00 C ATOM 0 H VAL A 91 -7.678 2.397 4.808 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.418 3.895 6.539 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.225 1.807 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.085 1.568 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.430 3.200 8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.190 2.937 8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.161 0.321 7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.269 1.684 7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.261 1.066 5.743 1.00 0.00 H new ATOM 264 N PHE A 92 -6.477 5.014 6.244 1.00 0.00 N ATOM 265 CA PHE A 92 -5.507 5.999 6.771 1.00 0.00 C ATOM 266 C PHE A 92 -5.440 7.235 5.880 1.00 0.00 C ATOM 267 O PHE A 92 -5.217 8.322 6.362 1.00 0.00 O ATOM 268 CB PHE A 92 -4.138 5.344 6.825 1.00 0.00 C ATOM 269 CG PHE A 92 -4.161 4.233 7.844 1.00 0.00 C ATOM 270 CD1 PHE A 92 -4.242 4.544 9.203 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.093 2.897 7.431 1.00 0.00 C ATOM 272 CE1 PHE A 92 -4.257 3.518 10.156 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.106 1.870 8.385 1.00 0.00 C ATOM 274 CZ PHE A 92 -4.187 2.182 9.746 1.00 0.00 C ATOM 0 H PHE A 92 -6.324 4.720 5.279 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.825 6.314 7.765 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.871 4.949 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.379 6.081 7.089 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.293 5.575 9.519 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.031 2.658 6.380 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.323 3.758 11.207 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.054 0.839 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.196 1.391 10.481 1.00 0.00 H new ATOM 284 N ASP A 93 -5.615 7.084 4.590 1.00 0.00 N ATOM 285 CA ASP A 93 -5.548 8.271 3.689 1.00 0.00 C ATOM 286 C ASP A 93 -6.401 9.400 4.286 1.00 0.00 C ATOM 287 O ASP A 93 -7.581 9.515 4.024 1.00 0.00 O ATOM 288 CB ASP A 93 -6.063 7.885 2.296 1.00 0.00 C ATOM 289 CG ASP A 93 -7.529 7.458 2.388 1.00 0.00 C ATOM 290 OD1 ASP A 93 -8.010 7.296 3.496 1.00 0.00 O ATOM 291 OD2 ASP A 93 -8.145 7.300 1.347 1.00 0.00 O ATOM 0 H ASP A 93 -5.800 6.195 4.126 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.518 8.615 3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.962 8.729 1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.462 7.072 1.888 1.00 0.00 H new ATOM 296 N LYS A 94 -5.801 10.215 5.114 1.00 0.00 N ATOM 297 CA LYS A 94 -6.546 11.328 5.774 1.00 0.00 C ATOM 298 C LYS A 94 -7.504 12.001 4.789 1.00 0.00 C ATOM 299 O LYS A 94 -8.705 11.982 4.970 1.00 0.00 O ATOM 300 CB LYS A 94 -5.546 12.361 6.298 1.00 0.00 C ATOM 301 CG LYS A 94 -4.376 11.641 6.974 1.00 0.00 C ATOM 302 CD LYS A 94 -4.059 12.318 8.309 1.00 0.00 C ATOM 303 CE LYS A 94 -2.566 12.175 8.612 1.00 0.00 C ATOM 304 NZ LYS A 94 -2.257 10.751 8.922 1.00 0.00 N ATOM 0 H LYS A 94 -4.814 10.156 5.364 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.130 10.918 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.181 12.979 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.035 13.029 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.626 10.593 7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.499 11.663 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.333 13.372 8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.648 11.866 9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.977 12.509 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.293 12.810 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.261 10.667 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.870 10.423 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.423 10.168 8.077 1.00 0.00 H new ATOM 318 N ASP A 95 -6.989 12.600 3.754 1.00 0.00 N ATOM 319 CA ASP A 95 -7.877 13.275 2.770 1.00 0.00 C ATOM 320 C ASP A 95 -7.876 12.470 1.478 1.00 0.00 C ATOM 321 O ASP A 95 -7.705 13.002 0.399 1.00 0.00 O ATOM 322 CB ASP A 95 -7.360 14.689 2.495 1.00 0.00 C ATOM 323 CG ASP A 95 -8.499 15.694 2.674 1.00 0.00 C ATOM 324 OD1 ASP A 95 -9.364 15.738 1.814 1.00 0.00 O ATOM 325 OD2 ASP A 95 -8.488 16.402 3.667 1.00 0.00 O ATOM 0 H ASP A 95 -5.992 12.651 3.547 1.00 0.00 H new ATOM 0 HA ASP A 95 -8.890 13.339 3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.541 14.927 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.962 14.751 1.482 1.00 0.00 H new ATOM 330 N GLY A 96 -8.054 11.184 1.583 1.00 0.00 N ATOM 331 CA GLY A 96 -8.051 10.335 0.367 1.00 0.00 C ATOM 332 C GLY A 96 -6.885 10.751 -0.522 1.00 0.00 C ATOM 333 O GLY A 96 -7.030 10.936 -1.714 1.00 0.00 O ATOM 0 H GLY A 96 -8.201 10.686 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.960 9.284 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.993 10.444 -0.171 1.00 0.00 H new ATOM 337 N ASN A 97 -5.724 10.902 0.052 1.00 0.00 N ATOM 338 CA ASN A 97 -4.543 11.310 -0.755 1.00 0.00 C ATOM 339 C ASN A 97 -3.920 10.067 -1.385 1.00 0.00 C ATOM 340 O ASN A 97 -3.131 10.152 -2.305 1.00 0.00 O ATOM 341 CB ASN A 97 -3.519 12.002 0.148 1.00 0.00 C ATOM 342 CG ASN A 97 -3.043 13.293 -0.518 1.00 0.00 C ATOM 343 OD1 ASN A 97 -3.918 14.200 -0.860 1.00 0.00 O flip ATOM 344 ND2 ASN A 97 -1.861 13.482 -0.732 1.00 0.00 N flip ATOM 0 H ASN A 97 -5.543 10.760 1.046 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.851 12.003 -1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.964 12.223 1.118 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.672 11.340 0.330 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.175 12.775 -0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.555 14.347 -1.177 1.00 0.00 H new ATOM 351 N GLY A 98 -4.275 8.911 -0.897 1.00 0.00 N ATOM 352 CA GLY A 98 -3.712 7.660 -1.468 1.00 0.00 C ATOM 353 C GLY A 98 -2.415 7.300 -0.744 1.00 0.00 C ATOM 354 O GLY A 98 -2.296 6.243 -0.159 1.00 0.00 O ATOM 0 H GLY A 98 -4.931 8.780 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.432 6.848 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.521 7.789 -2.533 1.00 0.00 H new ATOM 358 N TYR A 99 -1.440 8.171 -0.787 1.00 0.00 N ATOM 359 CA TYR A 99 -0.138 7.877 -0.123 1.00 0.00 C ATOM 360 C TYR A 99 -0.253 8.066 1.386 1.00 0.00 C ATOM 361 O TYR A 99 -0.603 9.122 1.874 1.00 0.00 O ATOM 362 CB TYR A 99 0.945 8.804 -0.704 1.00 0.00 C ATOM 363 CG TYR A 99 1.043 10.086 0.098 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.711 10.088 1.328 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.466 11.265 -0.387 1.00 0.00 C ATOM 366 CE1 TYR A 99 1.805 11.269 2.072 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.561 12.447 0.357 1.00 0.00 C ATOM 368 CZ TYR A 99 1.229 12.449 1.587 1.00 0.00 C ATOM 369 OH TYR A 99 1.322 13.614 2.321 1.00 0.00 O ATOM 0 H TYR A 99 -1.491 9.076 -1.255 1.00 0.00 H new ATOM 0 HA TYR A 99 0.138 6.839 -0.310 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.908 8.293 -0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.712 9.037 -1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.154 9.177 1.703 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.052 11.263 -1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.322 11.270 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.119 13.358 -0.018 1.00 0.00 H new ATOM 0 HH TYR A 99 0.870 14.340 1.842 1.00 0.00 H new ATOM 379 N ILE A 100 0.056 7.037 2.120 1.00 0.00 N ATOM 380 CA ILE A 100 -0.009 7.125 3.597 1.00 0.00 C ATOM 381 C ILE A 100 1.402 6.916 4.161 1.00 0.00 C ATOM 382 O ILE A 100 2.327 6.616 3.434 1.00 0.00 O ATOM 383 CB ILE A 100 -0.971 6.065 4.143 1.00 0.00 C ATOM 384 CG1 ILE A 100 -1.123 4.903 3.151 1.00 0.00 C ATOM 385 CG2 ILE A 100 -2.345 6.702 4.383 1.00 0.00 C ATOM 386 CD1 ILE A 100 -2.137 3.907 3.709 1.00 0.00 C ATOM 0 H ILE A 100 0.353 6.132 1.754 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.380 8.105 3.899 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.565 5.678 5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.454 5.276 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.162 4.414 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.032 5.950 4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.249 7.513 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.732 7.096 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.253 3.077 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.785 3.529 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.098 4.404 3.845 1.00 0.00 H new ATOM 398 N SER A 101 1.585 7.091 5.441 1.00 0.00 N ATOM 399 CA SER A 101 2.947 6.929 6.033 1.00 0.00 C ATOM 400 C SER A 101 3.394 5.466 5.986 1.00 0.00 C ATOM 401 O SER A 101 2.607 4.569 5.768 1.00 0.00 O ATOM 402 CB SER A 101 2.912 7.388 7.489 1.00 0.00 C ATOM 403 OG SER A 101 4.238 7.437 7.999 1.00 0.00 O ATOM 0 H SER A 101 0.851 7.339 6.104 1.00 0.00 H new ATOM 0 HA SER A 101 3.651 7.528 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.446 8.371 7.561 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.307 6.704 8.083 1.00 0.00 H new ATOM 0 HG SER A 101 4.219 7.733 8.933 1.00 0.00 H new ATOM 409 N ALA A 102 4.657 5.219 6.211 1.00 0.00 N ATOM 410 CA ALA A 102 5.150 3.815 6.206 1.00 0.00 C ATOM 411 C ALA A 102 4.516 3.088 7.384 1.00 0.00 C ATOM 412 O ALA A 102 4.358 1.885 7.372 1.00 0.00 O ATOM 413 CB ALA A 102 6.673 3.799 6.347 1.00 0.00 C ATOM 0 H ALA A 102 5.366 5.928 6.397 1.00 0.00 H new ATOM 0 HA ALA A 102 4.883 3.324 5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.028 2.768 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.121 4.341 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.957 4.277 7.285 1.00 0.00 H new ATOM 419 N ALA A 103 4.126 3.817 8.392 1.00 0.00 N ATOM 420 CA ALA A 103 3.470 3.174 9.557 1.00 0.00 C ATOM 421 C ALA A 103 2.095 2.690 9.105 1.00 0.00 C ATOM 422 O ALA A 103 1.568 1.714 9.602 1.00 0.00 O ATOM 423 CB ALA A 103 3.315 4.192 10.689 1.00 0.00 C ATOM 0 H ALA A 103 4.234 4.829 8.457 1.00 0.00 H new ATOM 0 HA ALA A 103 4.068 2.339 9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.833 3.716 11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.298 4.559 10.985 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.704 5.027 10.346 1.00 0.00 H new ATOM 429 N GLU A 104 1.517 3.369 8.148 1.00 0.00 N ATOM 430 CA GLU A 104 0.184 2.956 7.638 1.00 0.00 C ATOM 431 C GLU A 104 0.288 1.556 7.040 1.00 0.00 C ATOM 432 O GLU A 104 -0.430 0.655 7.418 1.00 0.00 O ATOM 433 CB GLU A 104 -0.266 3.937 6.558 1.00 0.00 C ATOM 434 CG GLU A 104 -1.237 4.944 7.168 1.00 0.00 C ATOM 435 CD GLU A 104 -0.450 6.075 7.832 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.489 5.773 8.551 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.799 7.223 7.612 1.00 0.00 O ATOM 0 H GLU A 104 1.915 4.194 7.699 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.539 2.953 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.596 4.454 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.746 3.400 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.892 5.347 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.875 4.451 7.902 1.00 0.00 H new ATOM 444 N LEU A 105 1.185 1.368 6.114 1.00 0.00 N ATOM 445 CA LEU A 105 1.351 0.027 5.494 1.00 0.00 C ATOM 446 C LEU A 105 1.742 -0.976 6.582 1.00 0.00 C ATOM 447 O LEU A 105 1.249 -2.084 6.631 1.00 0.00 O ATOM 448 CB LEU A 105 2.452 0.099 4.446 1.00 0.00 C ATOM 449 CG LEU A 105 1.893 -0.356 3.099 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.032 0.777 2.084 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.675 -1.581 2.614 1.00 0.00 C ATOM 0 H LEU A 105 1.813 2.089 5.759 1.00 0.00 H new ATOM 0 HA LEU A 105 0.420 -0.289 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.832 1.118 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.290 -0.533 4.738 1.00 0.00 H new ATOM 0 HG LEU A 105 0.840 -0.617 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.634 0.455 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.477 1.648 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.084 1.038 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.279 -1.909 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.727 -1.320 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.576 -2.387 3.341 1.00 0.00 H new ATOM 463 N ARG A 106 2.629 -0.586 7.457 1.00 0.00 N ATOM 464 CA ARG A 106 3.064 -1.502 8.551 1.00 0.00 C ATOM 465 C ARG A 106 1.841 -2.063 9.282 1.00 0.00 C ATOM 466 O ARG A 106 1.916 -3.075 9.950 1.00 0.00 O ATOM 467 CB ARG A 106 3.938 -0.728 9.542 1.00 0.00 C ATOM 468 CG ARG A 106 4.126 -1.552 10.820 1.00 0.00 C ATOM 469 CD ARG A 106 2.936 -1.325 11.756 1.00 0.00 C ATOM 470 NE ARG A 106 3.397 -0.622 12.987 1.00 0.00 N ATOM 471 CZ ARG A 106 2.992 -1.025 14.160 1.00 0.00 C ATOM 472 NH1 ARG A 106 1.765 -0.795 14.542 1.00 0.00 N ATOM 473 NH2 ARG A 106 3.813 -1.658 14.951 1.00 0.00 N ATOM 0 H ARG A 106 3.073 0.332 7.461 1.00 0.00 H new ATOM 0 HA ARG A 106 3.633 -2.327 8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.907 -0.510 9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.474 0.229 9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.211 -2.610 10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.053 -1.265 11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.171 -0.734 11.252 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.480 -2.279 12.019 1.00 0.00 H new ATOM 0 HE ARG A 106 4.030 0.175 12.912 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.123 -0.300 13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.449 -1.110 15.459 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.772 -1.838 14.653 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.497 -1.973 15.868 1.00 0.00 H new ATOM 487 N HIS A 107 0.722 -1.410 9.172 1.00 0.00 N ATOM 488 CA HIS A 107 -0.498 -1.902 9.873 1.00 0.00 C ATOM 489 C HIS A 107 -1.558 -2.327 8.854 1.00 0.00 C ATOM 490 O HIS A 107 -2.526 -2.974 9.195 1.00 0.00 O ATOM 491 CB HIS A 107 -1.067 -0.781 10.746 1.00 0.00 C ATOM 492 CG HIS A 107 -2.269 -1.290 11.490 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.574 -1.477 11.105 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -2.206 -1.686 12.817 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -4.310 -1.981 12.173 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -3.439 -2.087 13.179 1.00 0.00 N flip ATOM 0 H HIS A 107 0.596 -0.557 8.628 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.230 -2.759 10.491 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.310 -0.433 11.449 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.343 0.073 10.127 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -1.328 -1.675 13.446 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.360 -2.232 12.185 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -3.679 -2.430 14.109 1.00 0.00 H new ATOM 504 N VAL A 108 -1.395 -1.962 7.613 1.00 0.00 N ATOM 505 CA VAL A 108 -2.414 -2.341 6.592 1.00 0.00 C ATOM 506 C VAL A 108 -2.009 -3.626 5.882 1.00 0.00 C ATOM 507 O VAL A 108 -2.773 -4.561 5.803 1.00 0.00 O ATOM 508 CB VAL A 108 -2.545 -1.236 5.553 1.00 0.00 C ATOM 509 CG1 VAL A 108 -3.805 -1.484 4.733 1.00 0.00 C ATOM 510 CG2 VAL A 108 -2.647 0.120 6.252 1.00 0.00 C ATOM 0 H VAL A 108 -0.605 -1.421 7.262 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.365 -2.491 7.103 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.671 -1.234 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.912 -0.699 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.732 -2.452 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.674 -1.478 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.741 0.908 5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.522 0.130 6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.751 0.290 6.849 1.00 0.00 H new ATOM 520 N MET A 109 -0.826 -3.685 5.345 1.00 0.00 N ATOM 521 CA MET A 109 -0.417 -4.922 4.632 1.00 0.00 C ATOM 522 C MET A 109 -0.320 -6.082 5.627 1.00 0.00 C ATOM 523 O MET A 109 -0.131 -7.221 5.249 1.00 0.00 O ATOM 524 CB MET A 109 0.935 -4.711 3.956 1.00 0.00 C ATOM 525 CG MET A 109 0.843 -5.194 2.508 1.00 0.00 C ATOM 526 SD MET A 109 2.368 -4.790 1.622 1.00 0.00 S ATOM 527 CE MET A 109 3.532 -5.444 2.840 1.00 0.00 C ATOM 0 H MET A 109 -0.131 -2.939 5.368 1.00 0.00 H new ATOM 0 HA MET A 109 -1.162 -5.158 3.872 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.211 -3.657 3.985 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.713 -5.259 4.488 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.674 -6.271 2.485 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.009 -4.727 2.014 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.440 -4.841 2.836 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.079 -5.410 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.780 -6.475 2.589 1.00 0.00 H new ATOM 537 N THR A 110 -0.444 -5.802 6.898 1.00 0.00 N ATOM 538 CA THR A 110 -0.354 -6.889 7.913 1.00 0.00 C ATOM 539 C THR A 110 -1.749 -7.447 8.220 1.00 0.00 C ATOM 540 O THR A 110 -1.881 -8.494 8.822 1.00 0.00 O ATOM 541 CB THR A 110 0.268 -6.343 9.200 1.00 0.00 C ATOM 542 OG1 THR A 110 -0.081 -7.188 10.287 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.253 -4.931 9.462 1.00 0.00 C ATOM 0 H THR A 110 -0.604 -4.868 7.275 1.00 0.00 H new ATOM 0 HA THR A 110 0.270 -7.689 7.514 1.00 0.00 H new ATOM 0 HB THR A 110 1.353 -6.313 9.095 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.318 -6.841 11.112 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.191 -4.544 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.015 -4.283 8.627 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.338 -4.957 9.567 1.00 0.00 H new ATOM 551 N ASN A 111 -2.794 -6.772 7.813 1.00 0.00 N ATOM 552 CA ASN A 111 -4.159 -7.305 8.096 1.00 0.00 C ATOM 553 C ASN A 111 -4.856 -7.691 6.786 1.00 0.00 C ATOM 554 O ASN A 111 -5.567 -8.675 6.735 1.00 0.00 O ATOM 555 CB ASN A 111 -5.005 -6.275 8.861 1.00 0.00 C ATOM 556 CG ASN A 111 -4.805 -4.871 8.290 1.00 0.00 C ATOM 557 OD1 ASN A 111 -4.691 -4.694 7.096 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.773 -3.852 9.105 1.00 0.00 N ATOM 0 H ASN A 111 -2.762 -5.888 7.305 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.056 -8.192 8.721 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.058 -6.549 8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.731 -6.285 9.916 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.652 -2.908 8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.869 -3.999 10.110 1.00 0.00 H new ATOM 565 N LEU A 112 -4.673 -6.941 5.724 1.00 0.00 N ATOM 566 CA LEU A 112 -5.351 -7.322 4.447 1.00 0.00 C ATOM 567 C LEU A 112 -5.048 -8.792 4.118 1.00 0.00 C ATOM 568 O LEU A 112 -4.450 -9.504 4.901 1.00 0.00 O ATOM 569 CB LEU A 112 -4.919 -6.420 3.268 1.00 0.00 C ATOM 570 CG LEU A 112 -3.456 -5.942 3.370 1.00 0.00 C ATOM 571 CD1 LEU A 112 -2.581 -6.967 4.100 1.00 0.00 C ATOM 572 CD2 LEU A 112 -2.906 -5.755 1.955 1.00 0.00 C ATOM 0 H LEU A 112 -4.097 -6.100 5.686 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.423 -7.185 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.051 -6.966 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.576 -5.551 3.225 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.436 -5.008 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.557 -6.598 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.965 -7.121 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.598 -7.912 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.871 -5.417 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.951 -6.703 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.504 -5.012 1.428 1.00 0.00 H new ATOM 584 N GLY A 113 -5.461 -9.252 2.970 1.00 0.00 N ATOM 585 CA GLY A 113 -5.210 -10.675 2.596 1.00 0.00 C ATOM 586 C GLY A 113 -3.712 -10.998 2.669 1.00 0.00 C ATOM 587 O GLY A 113 -3.325 -12.145 2.780 1.00 0.00 O ATOM 0 H GLY A 113 -5.963 -8.704 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.763 -11.335 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -5.579 -10.862 1.587 1.00 0.00 H new ATOM 591 N GLU A 114 -2.865 -10.008 2.600 1.00 0.00 N ATOM 592 CA GLU A 114 -1.399 -10.286 2.656 1.00 0.00 C ATOM 593 C GLU A 114 -0.990 -10.676 4.078 1.00 0.00 C ATOM 594 O GLU A 114 -0.416 -11.723 4.298 1.00 0.00 O ATOM 595 CB GLU A 114 -0.614 -9.041 2.237 1.00 0.00 C ATOM 596 CG GLU A 114 -1.245 -8.424 0.987 1.00 0.00 C ATOM 597 CD GLU A 114 -1.193 -9.431 -0.163 1.00 0.00 C ATOM 598 OE1 GLU A 114 -0.488 -10.417 -0.029 1.00 0.00 O ATOM 599 OE2 GLU A 114 -1.856 -9.197 -1.160 1.00 0.00 O ATOM 0 H GLU A 114 -3.120 -9.025 2.508 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.177 -11.107 1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.608 -8.314 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.425 -9.305 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -2.278 -8.141 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.714 -7.513 0.711 1.00 0.00 H new ATOM 606 N LYS A 115 -1.268 -9.835 5.043 1.00 0.00 N ATOM 607 CA LYS A 115 -0.884 -10.143 6.452 1.00 0.00 C ATOM 608 C LYS A 115 0.507 -10.782 6.471 1.00 0.00 C ATOM 609 O LYS A 115 0.647 -11.989 6.503 1.00 0.00 O ATOM 610 CB LYS A 115 -1.907 -11.097 7.081 1.00 0.00 C ATOM 611 CG LYS A 115 -2.363 -12.137 6.054 1.00 0.00 C ATOM 612 CD LYS A 115 -3.417 -13.049 6.686 1.00 0.00 C ATOM 613 CE LYS A 115 -2.884 -14.482 6.739 1.00 0.00 C ATOM 614 NZ LYS A 115 -3.264 -15.200 5.490 1.00 0.00 N ATOM 0 H LYS A 115 -1.747 -8.944 4.913 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.867 -9.219 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.466 -11.596 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.766 -10.533 7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.776 -11.640 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.512 -12.727 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.659 -12.702 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.339 -13.014 6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.800 -14.474 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.290 -15.001 7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.902 -16.174 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.300 -15.219 5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.856 -14.709 4.669 1.00 0.00 H new ATOM 628 N LEU A 116 1.538 -9.982 6.446 1.00 0.00 N ATOM 629 CA LEU A 116 2.915 -10.540 6.454 1.00 0.00 C ATOM 630 C LEU A 116 3.630 -10.105 7.739 1.00 0.00 C ATOM 631 O LEU A 116 3.187 -10.402 8.831 1.00 0.00 O ATOM 632 CB LEU A 116 3.669 -10.025 5.224 1.00 0.00 C ATOM 633 CG LEU A 116 3.548 -8.499 5.139 1.00 0.00 C ATOM 634 CD1 LEU A 116 4.832 -7.925 4.535 1.00 0.00 C ATOM 635 CD2 LEU A 116 2.357 -8.132 4.249 1.00 0.00 C ATOM 0 H LEU A 116 1.483 -8.964 6.420 1.00 0.00 H new ATOM 0 HA LEU A 116 2.880 -11.629 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.719 -10.313 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.264 -10.482 4.321 1.00 0.00 H new ATOM 0 HG LEU A 116 3.396 -8.086 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.751 -6.840 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.681 -8.190 5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.980 -8.336 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.269 -7.047 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.509 -8.541 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.443 -8.546 4.675 1.00 0.00 H new ATOM 647 N THR A 117 4.728 -9.404 7.629 1.00 0.00 N ATOM 648 CA THR A 117 5.446 -8.961 8.853 1.00 0.00 C ATOM 649 C THR A 117 5.444 -7.434 8.903 1.00 0.00 C ATOM 650 O THR A 117 5.174 -6.775 7.919 1.00 0.00 O ATOM 651 CB THR A 117 6.886 -9.476 8.806 1.00 0.00 C ATOM 652 OG1 THR A 117 6.990 -10.478 7.806 1.00 0.00 O ATOM 653 CG2 THR A 117 7.261 -10.068 10.165 1.00 0.00 C ATOM 0 H THR A 117 5.155 -9.122 6.747 1.00 0.00 H new ATOM 0 HA THR A 117 4.952 -9.355 9.741 1.00 0.00 H new ATOM 0 HB THR A 117 7.563 -8.654 8.572 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.911 -10.810 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.287 -10.435 10.131 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.176 -9.299 10.933 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.588 -10.893 10.401 1.00 0.00 H new ATOM 661 N ASP A 118 5.740 -6.861 10.035 1.00 0.00 N ATOM 662 CA ASP A 118 5.750 -5.376 10.127 1.00 0.00 C ATOM 663 C ASP A 118 7.105 -4.848 9.657 1.00 0.00 C ATOM 664 O ASP A 118 7.190 -3.809 9.036 1.00 0.00 O ATOM 665 CB ASP A 118 5.509 -4.945 11.574 1.00 0.00 C ATOM 666 CG ASP A 118 4.145 -5.456 12.041 1.00 0.00 C ATOM 667 OD1 ASP A 118 3.151 -4.846 11.680 1.00 0.00 O ATOM 668 OD2 ASP A 118 4.116 -6.448 12.750 1.00 0.00 O ATOM 0 H ASP A 118 5.974 -7.354 10.897 1.00 0.00 H new ATOM 0 HA ASP A 118 4.960 -4.970 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.296 -5.339 12.217 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.548 -3.858 11.652 1.00 0.00 H new ATOM 673 N GLU A 119 8.166 -5.556 9.938 1.00 0.00 N ATOM 674 CA GLU A 119 9.506 -5.087 9.488 1.00 0.00 C ATOM 675 C GLU A 119 9.656 -5.412 8.005 1.00 0.00 C ATOM 676 O GLU A 119 10.364 -4.747 7.276 1.00 0.00 O ATOM 677 CB GLU A 119 10.604 -5.794 10.287 1.00 0.00 C ATOM 678 CG GLU A 119 10.295 -7.290 10.368 1.00 0.00 C ATOM 679 CD GLU A 119 11.606 -8.079 10.403 1.00 0.00 C ATOM 680 OE1 GLU A 119 12.628 -7.480 10.693 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.565 -9.270 10.139 1.00 0.00 O ATOM 0 H GLU A 119 8.162 -6.434 10.457 1.00 0.00 H new ATOM 0 HA GLU A 119 9.597 -4.013 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.572 -5.637 9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.669 -5.371 11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.706 -7.503 11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.696 -7.596 9.510 1.00 0.00 H new ATOM 688 N GLU A 120 8.970 -6.424 7.551 1.00 0.00 N ATOM 689 CA GLU A 120 9.038 -6.791 6.112 1.00 0.00 C ATOM 690 C GLU A 120 8.269 -5.735 5.321 1.00 0.00 C ATOM 691 O GLU A 120 8.787 -5.108 4.419 1.00 0.00 O ATOM 692 CB GLU A 120 8.396 -8.170 5.922 1.00 0.00 C ATOM 693 CG GLU A 120 8.034 -8.397 4.450 1.00 0.00 C ATOM 694 CD GLU A 120 9.301 -8.734 3.663 1.00 0.00 C ATOM 695 OE1 GLU A 120 10.055 -7.821 3.373 1.00 0.00 O ATOM 696 OE2 GLU A 120 9.496 -9.901 3.363 1.00 0.00 O ATOM 0 H GLU A 120 8.363 -7.015 8.119 1.00 0.00 H new ATOM 0 HA GLU A 120 10.070 -6.832 5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.083 -8.947 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.501 -8.249 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.311 -9.208 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.563 -7.505 4.038 1.00 0.00 H new ATOM 703 N VAL A 121 7.029 -5.533 5.671 1.00 0.00 N ATOM 704 CA VAL A 121 6.201 -4.515 4.966 1.00 0.00 C ATOM 705 C VAL A 121 6.872 -3.141 5.061 1.00 0.00 C ATOM 706 O VAL A 121 7.016 -2.441 4.079 1.00 0.00 O ATOM 707 CB VAL A 121 4.821 -4.442 5.628 1.00 0.00 C ATOM 708 CG1 VAL A 121 4.977 -4.334 7.146 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.072 -3.211 5.113 1.00 0.00 C ATOM 0 H VAL A 121 6.551 -6.033 6.420 1.00 0.00 H new ATOM 0 HA VAL A 121 6.100 -4.798 3.918 1.00 0.00 H new ATOM 0 HB VAL A 121 4.261 -5.345 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.992 -4.282 7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.509 -5.209 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.541 -3.434 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.090 -3.159 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.639 -2.312 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.952 -3.284 4.032 1.00 0.00 H new ATOM 719 N ASP A 122 7.269 -2.744 6.239 1.00 0.00 N ATOM 720 CA ASP A 122 7.915 -1.409 6.403 1.00 0.00 C ATOM 721 C ASP A 122 9.204 -1.342 5.581 1.00 0.00 C ATOM 722 O ASP A 122 9.516 -0.332 4.984 1.00 0.00 O ATOM 723 CB ASP A 122 8.240 -1.184 7.880 1.00 0.00 C ATOM 724 CG ASP A 122 8.326 0.318 8.158 1.00 0.00 C ATOM 725 OD1 ASP A 122 7.784 1.077 7.373 1.00 0.00 O ATOM 726 OD2 ASP A 122 8.933 0.682 9.152 1.00 0.00 O ATOM 0 H ASP A 122 7.174 -3.287 7.097 1.00 0.00 H new ATOM 0 HA ASP A 122 7.232 -0.636 6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.472 -1.638 8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.184 -1.667 8.134 1.00 0.00 H new ATOM 731 N GLU A 123 9.958 -2.405 5.548 1.00 0.00 N ATOM 732 CA GLU A 123 11.227 -2.393 4.768 1.00 0.00 C ATOM 733 C GLU A 123 10.914 -2.503 3.275 1.00 0.00 C ATOM 734 O GLU A 123 11.775 -2.335 2.436 1.00 0.00 O ATOM 735 CB GLU A 123 12.103 -3.575 5.196 1.00 0.00 C ATOM 736 CG GLU A 123 13.557 -3.300 4.811 1.00 0.00 C ATOM 737 CD GLU A 123 14.456 -4.395 5.390 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.995 -5.521 5.487 1.00 0.00 O ATOM 739 OE2 GLU A 123 15.589 -4.090 5.723 1.00 0.00 O ATOM 0 H GLU A 123 9.751 -3.281 6.027 1.00 0.00 H new ATOM 0 HA GLU A 123 11.758 -1.460 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.024 -3.729 6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.756 -4.490 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.657 -3.269 3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.866 -2.325 5.188 1.00 0.00 H new ATOM 746 N MET A 124 9.686 -2.786 2.935 1.00 0.00 N ATOM 747 CA MET A 124 9.323 -2.905 1.497 1.00 0.00 C ATOM 748 C MET A 124 8.744 -1.578 1.001 1.00 0.00 C ATOM 749 O MET A 124 8.582 -1.366 -0.183 1.00 0.00 O ATOM 750 CB MET A 124 8.282 -4.012 1.325 1.00 0.00 C ATOM 751 CG MET A 124 8.466 -4.671 -0.040 1.00 0.00 C ATOM 752 SD MET A 124 8.585 -6.464 0.164 1.00 0.00 S ATOM 753 CE MET A 124 10.343 -6.527 0.592 1.00 0.00 C ATOM 0 H MET A 124 8.920 -2.940 3.591 1.00 0.00 H new ATOM 0 HA MET A 124 10.214 -3.149 0.918 1.00 0.00 H new ATOM 0 HB2 MET A 124 8.389 -4.753 2.117 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.277 -3.598 1.409 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.627 -4.424 -0.691 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.366 -4.289 -0.521 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.639 -7.562 0.764 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.932 -6.113 -0.226 1.00 0.00 H new ATOM 0 HE3 MET A 124 10.518 -5.944 1.496 1.00 0.00 H new ATOM 763 N ILE A 125 8.431 -0.680 1.896 1.00 0.00 N ATOM 764 CA ILE A 125 7.865 0.627 1.462 1.00 0.00 C ATOM 765 C ILE A 125 8.968 1.449 0.792 1.00 0.00 C ATOM 766 O ILE A 125 8.731 2.177 -0.151 1.00 0.00 O ATOM 767 CB ILE A 125 7.277 1.360 2.685 1.00 0.00 C ATOM 768 CG1 ILE A 125 5.782 1.569 2.452 1.00 0.00 C ATOM 769 CG2 ILE A 125 7.950 2.722 2.909 1.00 0.00 C ATOM 770 CD1 ILE A 125 4.997 0.676 3.407 1.00 0.00 C ATOM 0 H ILE A 125 8.542 -0.795 2.903 1.00 0.00 H new ATOM 0 HA ILE A 125 7.062 0.477 0.741 1.00 0.00 H new ATOM 0 HB ILE A 125 7.454 0.752 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.519 2.614 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.526 1.332 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.508 3.207 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.017 2.577 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.803 3.350 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.929 0.821 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.254 -0.367 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.247 0.935 4.436 1.00 0.00 H new ATOM 782 N ARG A 126 10.179 1.325 1.261 1.00 0.00 N ATOM 783 CA ARG A 126 11.292 2.082 0.634 1.00 0.00 C ATOM 784 C ARG A 126 11.317 1.753 -0.857 1.00 0.00 C ATOM 785 O ARG A 126 11.907 2.456 -1.651 1.00 0.00 O ATOM 786 CB ARG A 126 12.616 1.669 1.283 1.00 0.00 C ATOM 787 CG ARG A 126 12.611 0.161 1.543 1.00 0.00 C ATOM 788 CD ARG A 126 14.047 -0.326 1.751 1.00 0.00 C ATOM 789 NE ARG A 126 14.565 0.192 3.049 1.00 0.00 N ATOM 790 CZ ARG A 126 15.838 0.110 3.322 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.540 -0.893 2.870 1.00 0.00 N ATOM 792 NH2 ARG A 126 16.411 1.032 4.047 1.00 0.00 N ATOM 0 H ARG A 126 10.443 0.733 2.049 1.00 0.00 H new ATOM 0 HA ARG A 126 11.150 3.154 0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.450 1.933 0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.758 2.209 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.008 -0.065 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.156 -0.362 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.077 -1.416 1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.680 0.016 0.932 1.00 0.00 H new ATOM 0 HE ARG A 126 13.924 0.610 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.093 -1.614 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.535 -0.956 3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.863 1.817 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.406 0.968 4.260 1.00 0.00 H new ATOM 806 N GLU A 127 10.675 0.681 -1.241 1.00 0.00 N ATOM 807 CA GLU A 127 10.646 0.292 -2.675 1.00 0.00 C ATOM 808 C GLU A 127 9.595 1.122 -3.420 1.00 0.00 C ATOM 809 O GLU A 127 9.788 1.494 -4.561 1.00 0.00 O ATOM 810 CB GLU A 127 10.281 -1.189 -2.782 1.00 0.00 C ATOM 811 CG GLU A 127 11.518 -2.046 -2.500 1.00 0.00 C ATOM 812 CD GLU A 127 11.310 -3.446 -3.079 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.322 -3.571 -4.293 1.00 0.00 O ATOM 814 OE2 GLU A 127 11.144 -4.370 -2.300 1.00 0.00 O ATOM 0 H GLU A 127 10.167 0.056 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 127 11.626 0.471 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.490 -1.431 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.894 -1.407 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.401 -1.585 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.694 -2.107 -1.426 1.00 0.00 H new ATOM 821 N ALA A 128 8.474 1.405 -2.801 1.00 0.00 N ATOM 822 CA ALA A 128 7.423 2.192 -3.509 1.00 0.00 C ATOM 823 C ALA A 128 7.594 3.691 -3.237 1.00 0.00 C ATOM 824 O ALA A 128 7.713 4.486 -4.148 1.00 0.00 O ATOM 825 CB ALA A 128 6.047 1.741 -3.019 1.00 0.00 C ATOM 0 H ALA A 128 8.245 1.127 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 128 7.516 2.021 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.273 2.312 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.915 0.680 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.970 1.909 -1.945 1.00 0.00 H new ATOM 831 N ASP A 129 7.586 4.087 -1.994 1.00 0.00 N ATOM 832 CA ASP A 129 7.724 5.539 -1.669 1.00 0.00 C ATOM 833 C ASP A 129 9.002 6.110 -2.284 1.00 0.00 C ATOM 834 O ASP A 129 8.954 6.977 -3.132 1.00 0.00 O ATOM 835 CB ASP A 129 7.765 5.720 -0.150 1.00 0.00 C ATOM 836 CG ASP A 129 8.071 7.181 0.183 1.00 0.00 C ATOM 837 OD1 ASP A 129 7.967 8.005 -0.711 1.00 0.00 O ATOM 838 OD2 ASP A 129 8.404 7.451 1.324 1.00 0.00 O ATOM 0 H ASP A 129 7.490 3.470 -1.188 1.00 0.00 H new ATOM 0 HA ASP A 129 6.868 6.072 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.810 5.429 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.525 5.070 0.284 1.00 0.00 H new ATOM 843 N ILE A 130 10.139 5.645 -1.849 1.00 0.00 N ATOM 844 CA ILE A 130 11.426 6.169 -2.397 1.00 0.00 C ATOM 845 C ILE A 130 11.349 7.693 -2.527 1.00 0.00 C ATOM 846 O ILE A 130 11.955 8.283 -3.398 1.00 0.00 O ATOM 847 CB ILE A 130 11.703 5.550 -3.771 1.00 0.00 C ATOM 848 CG1 ILE A 130 10.604 5.955 -4.751 1.00 0.00 C ATOM 849 CG2 ILE A 130 11.731 4.028 -3.653 1.00 0.00 C ATOM 850 CD1 ILE A 130 11.050 5.640 -6.180 1.00 0.00 C ATOM 0 H ILE A 130 10.235 4.922 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 130 12.235 5.903 -1.717 1.00 0.00 H new ATOM 0 HB ILE A 130 12.666 5.908 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.682 5.421 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.389 7.019 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 130 11.928 3.591 -4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 130 12.517 3.731 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.768 3.674 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.265 5.929 -6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 130 11.960 6.194 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.243 4.571 -6.274 1.00 0.00 H new ATOM 862 N ASP A 131 10.611 8.333 -1.660 1.00 0.00 N ATOM 863 CA ASP A 131 10.496 9.818 -1.720 1.00 0.00 C ATOM 864 C ASP A 131 10.352 10.281 -3.174 1.00 0.00 C ATOM 865 O ASP A 131 11.296 10.741 -3.785 1.00 0.00 O ATOM 866 CB ASP A 131 11.748 10.451 -1.111 1.00 0.00 C ATOM 867 CG ASP A 131 11.819 10.111 0.379 1.00 0.00 C ATOM 868 OD1 ASP A 131 12.005 8.946 0.692 1.00 0.00 O ATOM 869 OD2 ASP A 131 11.686 11.021 1.181 1.00 0.00 O ATOM 0 H ASP A 131 10.081 7.889 -0.910 1.00 0.00 H new ATOM 0 HA ASP A 131 9.614 10.126 -1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 131 12.639 10.084 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 131 11.725 11.532 -1.247 1.00 0.00 H new ATOM 874 N GLY A 132 9.176 10.173 -3.726 1.00 0.00 N ATOM 875 CA GLY A 132 8.963 10.617 -5.134 1.00 0.00 C ATOM 876 C GLY A 132 7.629 11.359 -5.224 1.00 0.00 C ATOM 877 O GLY A 132 7.530 12.423 -5.802 1.00 0.00 O ATOM 0 H GLY A 132 8.350 9.795 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 132 9.778 11.267 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.962 9.757 -5.804 1.00 0.00 H new ATOM 881 N ASP A 133 6.606 10.800 -4.643 1.00 0.00 N ATOM 882 CA ASP A 133 5.266 11.452 -4.668 1.00 0.00 C ATOM 883 C ASP A 133 4.426 10.858 -3.539 1.00 0.00 C ATOM 884 O ASP A 133 3.845 9.800 -3.678 1.00 0.00 O ATOM 885 CB ASP A 133 4.584 11.184 -6.013 1.00 0.00 C ATOM 886 CG ASP A 133 3.493 12.230 -6.248 1.00 0.00 C ATOM 887 OD1 ASP A 133 2.993 12.766 -5.273 1.00 0.00 O ATOM 888 OD2 ASP A 133 3.174 12.475 -7.399 1.00 0.00 O ATOM 0 H ASP A 133 6.640 9.910 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 133 5.369 12.529 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 133 5.317 11.220 -6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.151 10.184 -6.021 1.00 0.00 H new ATOM 893 N GLY A 134 4.376 11.511 -2.410 1.00 0.00 N ATOM 894 CA GLY A 134 3.597 10.950 -1.272 1.00 0.00 C ATOM 895 C GLY A 134 4.248 9.629 -0.862 1.00 0.00 C ATOM 896 O GLY A 134 4.655 8.858 -1.705 1.00 0.00 O ATOM 0 H GLY A 134 4.838 12.402 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.589 11.648 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.559 10.790 -1.563 1.00 0.00 H new ATOM 900 N GLN A 135 4.360 9.371 0.418 1.00 0.00 N ATOM 901 CA GLN A 135 4.997 8.097 0.880 1.00 0.00 C ATOM 902 C GLN A 135 4.601 6.958 -0.059 1.00 0.00 C ATOM 903 O GLN A 135 5.236 6.732 -1.065 1.00 0.00 O ATOM 904 CB GLN A 135 4.521 7.784 2.298 1.00 0.00 C ATOM 905 CG GLN A 135 5.272 8.667 3.297 1.00 0.00 C ATOM 906 CD GLN A 135 6.779 8.507 3.092 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.341 7.476 3.402 1.00 0.00 O ATOM 908 NE2 GLN A 135 7.462 9.493 2.577 1.00 0.00 N ATOM 0 H GLN A 135 4.038 9.988 1.164 1.00 0.00 H new ATOM 0 HA GLN A 135 6.082 8.205 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.448 7.957 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.692 6.732 2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.985 9.710 3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.002 8.391 4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.990 10.359 2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 135 8.468 9.397 2.435 1.00 0.00 H new ATOM 917 N VAL A 136 3.558 6.239 0.242 1.00 0.00 N ATOM 918 CA VAL A 136 3.155 5.136 -0.671 1.00 0.00 C ATOM 919 C VAL A 136 1.643 5.165 -0.864 1.00 0.00 C ATOM 920 O VAL A 136 0.887 4.901 0.049 1.00 0.00 O ATOM 921 CB VAL A 136 3.565 3.792 -0.075 1.00 0.00 C ATOM 922 CG1 VAL A 136 3.137 3.741 1.391 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.886 2.658 -0.854 1.00 0.00 C ATOM 0 H VAL A 136 2.974 6.364 1.069 1.00 0.00 H new ATOM 0 HA VAL A 136 3.651 5.268 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 136 4.647 3.674 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.428 2.783 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.623 4.548 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 136 2.055 3.856 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 136 3.179 1.698 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.804 2.769 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.193 2.700 -1.899 1.00 0.00 H new ATOM 933 N ASN A 137 1.194 5.471 -2.046 1.00 0.00 N ATOM 934 CA ASN A 137 -0.268 5.498 -2.284 1.00 0.00 C ATOM 935 C ASN A 137 -0.735 4.096 -2.640 1.00 0.00 C ATOM 936 O ASN A 137 -0.126 3.123 -2.262 1.00 0.00 O ATOM 937 CB ASN A 137 -0.605 6.490 -3.402 1.00 0.00 C ATOM 938 CG ASN A 137 -0.453 5.831 -4.778 1.00 0.00 C ATOM 939 OD1 ASN A 137 -1.405 5.742 -5.525 1.00 0.00 O ATOM 940 ND2 ASN A 137 0.713 5.371 -5.152 1.00 0.00 N ATOM 0 H ASN A 137 1.774 5.702 -2.852 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.784 5.827 -1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.626 6.852 -3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.051 7.358 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.820 4.939 -6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 137 1.515 5.445 -4.526 1.00 0.00 H new ATOM 947 N TYR A 138 -1.814 3.980 -3.344 1.00 0.00 N ATOM 948 CA TYR A 138 -2.314 2.629 -3.700 1.00 0.00 C ATOM 949 C TYR A 138 -1.528 2.097 -4.886 1.00 0.00 C ATOM 950 O TYR A 138 -1.021 0.994 -4.874 1.00 0.00 O ATOM 951 CB TYR A 138 -3.784 2.725 -4.085 1.00 0.00 C ATOM 952 CG TYR A 138 -4.531 3.555 -3.072 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.973 3.832 -1.815 1.00 0.00 C ATOM 954 CD2 TYR A 138 -5.797 4.036 -3.392 1.00 0.00 C ATOM 955 CE1 TYR A 138 -4.689 4.590 -0.881 1.00 0.00 C ATOM 956 CE2 TYR A 138 -6.515 4.795 -2.463 1.00 0.00 C ATOM 957 CZ TYR A 138 -5.962 5.072 -1.206 1.00 0.00 C ATOM 958 OH TYR A 138 -6.674 5.819 -0.288 1.00 0.00 O ATOM 0 H TYR A 138 -2.374 4.759 -3.690 1.00 0.00 H new ATOM 0 HA TYR A 138 -2.195 1.960 -2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.880 3.171 -5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.219 1.727 -4.141 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.990 3.460 -1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.226 3.823 -4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.260 4.802 0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.497 5.168 -2.715 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.538 6.075 -0.674 1.00 0.00 H new ATOM 968 N GLU A 139 -1.440 2.875 -5.917 1.00 0.00 N ATOM 969 CA GLU A 139 -0.703 2.429 -7.124 1.00 0.00 C ATOM 970 C GLU A 139 0.675 1.903 -6.714 1.00 0.00 C ATOM 971 O GLU A 139 1.215 1.003 -7.327 1.00 0.00 O ATOM 972 CB GLU A 139 -0.527 3.602 -8.095 1.00 0.00 C ATOM 973 CG GLU A 139 -1.789 4.468 -8.099 1.00 0.00 C ATOM 974 CD GLU A 139 -2.192 4.778 -9.542 1.00 0.00 C ATOM 975 OE1 GLU A 139 -2.268 3.848 -10.328 1.00 0.00 O ATOM 976 OE2 GLU A 139 -2.419 5.941 -9.836 1.00 0.00 O ATOM 0 H GLU A 139 -1.849 3.807 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.270 1.638 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.335 4.201 -7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.329 3.228 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.600 3.950 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.609 5.394 -7.554 1.00 0.00 H new ATOM 983 N GLU A 140 1.248 2.457 -5.680 1.00 0.00 N ATOM 984 CA GLU A 140 2.590 1.992 -5.227 1.00 0.00 C ATOM 985 C GLU A 140 2.412 0.976 -4.100 1.00 0.00 C ATOM 986 O GLU A 140 3.237 0.108 -3.889 1.00 0.00 O ATOM 987 CB GLU A 140 3.399 3.187 -4.717 1.00 0.00 C ATOM 988 CG GLU A 140 4.668 3.343 -5.558 1.00 0.00 C ATOM 989 CD GLU A 140 4.413 4.342 -6.687 1.00 0.00 C ATOM 990 OE1 GLU A 140 3.721 5.317 -6.443 1.00 0.00 O ATOM 991 OE2 GLU A 140 4.914 4.118 -7.776 1.00 0.00 O ATOM 0 H GLU A 140 0.843 3.213 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 140 3.120 1.528 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.799 4.096 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.661 3.042 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.491 3.688 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.964 2.379 -5.971 1.00 0.00 H new ATOM 998 N PHE A 141 1.332 1.079 -3.379 1.00 0.00 N ATOM 999 CA PHE A 141 1.074 0.124 -2.263 1.00 0.00 C ATOM 1000 C PHE A 141 0.731 -1.243 -2.851 1.00 0.00 C ATOM 1001 O PHE A 141 0.742 -2.248 -2.169 1.00 0.00 O ATOM 1002 CB PHE A 141 -0.101 0.642 -1.429 1.00 0.00 C ATOM 1003 CG PHE A 141 -0.455 -0.352 -0.354 1.00 0.00 C ATOM 1004 CD1 PHE A 141 0.528 -1.196 0.164 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.765 -0.414 0.139 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.204 -2.106 1.173 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.089 -1.322 1.152 1.00 0.00 C ATOM 1008 CZ PHE A 141 -1.103 -2.170 1.670 1.00 0.00 C ATOM 0 H PHE A 141 0.611 1.788 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 141 1.956 0.034 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.158 1.600 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.964 0.816 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.538 -1.146 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.525 0.240 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.964 -2.762 1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.098 -1.369 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.350 -2.873 2.452 1.00 0.00 H new ATOM 1018 N VAL A 142 0.439 -1.289 -4.120 1.00 0.00 N ATOM 1019 CA VAL A 142 0.110 -2.587 -4.763 1.00 0.00 C ATOM 1020 C VAL A 142 1.407 -3.265 -5.207 1.00 0.00 C ATOM 1021 O VAL A 142 1.395 -4.338 -5.777 1.00 0.00 O ATOM 1022 CB VAL A 142 -0.780 -2.338 -5.982 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.081 -1.368 -6.937 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -1.038 -3.663 -6.703 1.00 0.00 C ATOM 0 H VAL A 142 0.414 -0.480 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.417 -3.228 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.728 -1.908 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.716 -1.191 -7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.105 -0.424 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.867 -1.797 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.672 -3.487 -7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.090 -4.092 -7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.536 -4.355 -6.025 1.00 0.00 H new ATOM 1034 N GLN A 143 2.531 -2.642 -4.962 1.00 0.00 N ATOM 1035 CA GLN A 143 3.826 -3.246 -5.379 1.00 0.00 C ATOM 1036 C GLN A 143 4.387 -4.122 -4.255 1.00 0.00 C ATOM 1037 O GLN A 143 5.119 -5.059 -4.501 1.00 0.00 O ATOM 1038 CB GLN A 143 4.823 -2.130 -5.699 1.00 0.00 C ATOM 1039 CG GLN A 143 6.118 -2.741 -6.236 1.00 0.00 C ATOM 1040 CD GLN A 143 7.315 -2.037 -5.595 1.00 0.00 C ATOM 1041 OE1 GLN A 143 8.255 -2.677 -5.168 1.00 0.00 O ATOM 1042 NE2 GLN A 143 7.321 -0.735 -5.509 1.00 0.00 N ATOM 0 H GLN A 143 2.605 -1.740 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 143 3.664 -3.864 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.398 -1.448 -6.435 1.00 0.00 H new ATOM 0 HB3 GLN A 143 5.029 -1.544 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.149 -3.808 -6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.159 -2.638 -7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.532 -0.197 -5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.114 -0.256 -5.084 1.00 0.00 H new ATOM 1051 N MET A 144 4.061 -3.829 -3.023 1.00 0.00 N ATOM 1052 CA MET A 144 4.606 -4.667 -1.906 1.00 0.00 C ATOM 1053 C MET A 144 3.649 -5.819 -1.593 1.00 0.00 C ATOM 1054 O MET A 144 4.060 -6.876 -1.157 1.00 0.00 O ATOM 1055 CB MET A 144 4.827 -3.845 -0.629 1.00 0.00 C ATOM 1056 CG MET A 144 4.262 -2.444 -0.795 1.00 0.00 C ATOM 1057 SD MET A 144 4.921 -1.366 0.493 1.00 0.00 S ATOM 1058 CE MET A 144 4.734 0.166 -0.439 1.00 0.00 C ATOM 0 H MET A 144 3.452 -3.060 -2.742 1.00 0.00 H new ATOM 0 HA MET A 144 5.568 -5.056 -2.238 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.348 -4.339 0.216 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.892 -3.790 -0.404 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.520 -2.051 -1.779 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.174 -2.471 -0.738 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.707 0.488 -0.809 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.063 -0.000 -1.281 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.319 0.938 0.209 1.00 0.00 H new ATOM 1068 N MET A 145 2.375 -5.624 -1.796 1.00 0.00 N ATOM 1069 CA MET A 145 1.400 -6.709 -1.489 1.00 0.00 C ATOM 1070 C MET A 145 1.394 -7.750 -2.612 1.00 0.00 C ATOM 1071 O MET A 145 0.581 -8.653 -2.625 1.00 0.00 O ATOM 1072 CB MET A 145 0.001 -6.110 -1.344 1.00 0.00 C ATOM 1073 CG MET A 145 -0.452 -5.533 -2.685 1.00 0.00 C ATOM 1074 SD MET A 145 -2.199 -5.921 -2.940 1.00 0.00 S ATOM 1075 CE MET A 145 -2.757 -5.545 -1.259 1.00 0.00 C ATOM 0 H MET A 145 1.968 -4.763 -2.160 1.00 0.00 H new ATOM 0 HA MET A 145 1.692 -7.194 -0.558 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.700 -6.875 -1.010 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.006 -5.329 -0.584 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.301 -4.454 -2.700 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.147 -5.950 -3.495 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.838 -5.405 -1.257 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.497 -6.370 -0.596 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.272 -4.633 -0.910 1.00 0.00 H new ATOM 1085 N THR A 146 2.290 -7.641 -3.552 1.00 0.00 N ATOM 1086 CA THR A 146 2.322 -8.635 -4.662 1.00 0.00 C ATOM 1087 C THR A 146 3.648 -8.521 -5.415 1.00 0.00 C ATOM 1088 O THR A 146 3.743 -8.863 -6.578 1.00 0.00 O ATOM 1089 CB THR A 146 1.161 -8.367 -5.623 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.318 -9.167 -6.786 1.00 0.00 O ATOM 1091 CG2 THR A 146 1.152 -6.889 -6.014 1.00 0.00 C ATOM 0 H THR A 146 2.999 -6.910 -3.601 1.00 0.00 H new ATOM 0 HA THR A 146 2.226 -9.640 -4.250 1.00 0.00 H new ATOM 0 HB THR A 146 0.219 -8.616 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.198 -8.999 -7.182 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.325 -6.699 -6.698 1.00 0.00 H new ATOM 0 HG22 THR A 146 1.032 -6.277 -5.120 1.00 0.00 H new ATOM 0 HG23 THR A 146 2.093 -6.636 -6.503 1.00 0.00 H new ATOM 1099 N ALA A 147 4.674 -8.048 -4.763 1.00 0.00 N ATOM 1100 CA ALA A 147 5.992 -7.918 -5.445 1.00 0.00 C ATOM 1101 C ALA A 147 6.448 -9.295 -5.929 1.00 0.00 C ATOM 1102 O ALA A 147 5.680 -10.235 -5.972 1.00 0.00 O ATOM 1103 CB ALA A 147 7.021 -7.353 -4.464 1.00 0.00 C ATOM 0 H ALA A 147 4.657 -7.746 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 147 5.898 -7.245 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 147 7.985 -7.258 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 147 6.693 -6.373 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 147 7.118 -8.025 -3.612 1.00 0.00 H new ATOM 1109 N LYS A 148 7.695 -9.424 -6.295 1.00 0.00 N ATOM 1110 CA LYS A 148 8.196 -10.742 -6.775 1.00 0.00 C ATOM 1111 C LYS A 148 8.668 -11.574 -5.580 1.00 0.00 C ATOM 1112 O LYS A 148 7.821 -12.084 -4.867 1.00 0.00 O ATOM 1113 CB LYS A 148 9.365 -10.523 -7.738 1.00 0.00 C ATOM 1114 CG LYS A 148 8.826 -10.289 -9.150 1.00 0.00 C ATOM 1115 CD LYS A 148 9.288 -8.921 -9.655 1.00 0.00 C ATOM 1116 CE LYS A 148 8.149 -7.911 -9.506 1.00 0.00 C ATOM 1117 NZ LYS A 148 8.572 -6.598 -10.067 1.00 0.00 N ATOM 1118 OXT LYS A 148 9.870 -11.688 -5.401 1.00 0.00 O ATOM 0 H LYS A 148 8.387 -8.674 -6.282 1.00 0.00 H new ATOM 0 HA LYS A 148 7.394 -11.270 -7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.959 -9.667 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 148 10.025 -11.390 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 148 9.179 -11.073 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 148 7.737 -10.338 -9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.159 -8.588 -9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 148 9.592 -8.991 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 148 7.260 -8.270 -10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 148 7.882 -7.800 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 7.797 -5.911 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 9.409 -6.254 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 8.806 -6.710 -11.074 1.00 0.00 H new TER 1132 LYS A 148