USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 71 ASN : amide:sc= -3.2! K(o=-5.6!,f=-1.3) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 1 GLY N :NH3+ 169:sc= 1.33 (180deg=1.19) USER MOD Single : A 6 TYR OH : rot 53:sc= -1.39! USER MOD Single : A 7 ASN : amide:sc= 1.3 K(o=1.3,f=-7.9!) USER MOD Single : A 11 MET CE :methyl 162:sc= -1.72 (180deg=-2.59!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= -0.143 (180deg=-1.67) USER MOD Single : A 63 MET CE :methyl 171:sc= -0.878 (180deg=-1.32) USER MOD Single : A 64 MET CE :methyl -115:sc= -0.159 (180deg=-1.64) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 69 SER OG : rot 171:sc= -1.1 USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -0.0363 (180deg=-0.402) USER MOD Single : A 77 THR OG1 : rot 163:sc= 1.24 USER MOD Single : A 81 THR OG1 : rot 80:sc= 0.876 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.78 K(o=-1.8,f=-1) USER MOD Single : A 87 SER OG : rot 81:sc= 1.29 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -82:sc= 1.04 USER MOD Single : A 96 GLN : amide:sc= 0.261 K(o=0.26,f=-0.97) USER MOD Single : A 102 SER OG : rot 163:sc= -0.275 USER MOD Single : A 108 MET CE :methyl 173:sc= -0.635 (180deg=-0.805) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 90:sc= 0.456 USER MOD Single : A 119 LYS NZ :NH3+ -126:sc= 0.132 (180deg=0) USER MOD Single : A 124 SER OG : rot -42:sc= 0.34 USER MOD Single : A 125 GLN : amide:sc= -3.26! C(o=-3.3!,f=-1.3!) USER MOD Single : A 128 CYS SG : rot 180:sc= -4.72! USER MOD Single : A 132 THR OG1 : rot -110:sc= 0.579 USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 MET CE :methyl 170:sc= -0.721 (180deg=-1) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.544 -18.586 2.385 1.00 0.00 N ATOM 2 CA GLY A 1 1.649 -18.298 3.330 1.00 0.00 C ATOM 3 C GLY A 1 1.362 -17.071 4.174 1.00 0.00 C ATOM 4 O GLY A 1 1.676 -15.950 3.773 1.00 0.00 O ATOM 0 H1 GLY A 1 0.850 -19.309 1.703 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.282 -18.935 2.912 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.287 -17.716 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.805 -19.159 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.574 -18.148 2.773 1.00 0.00 H new ATOM 10 N ASP A 2 0.765 -17.279 5.346 1.00 0.00 N ATOM 11 CA ASP A 2 0.380 -16.171 6.220 1.00 0.00 C ATOM 12 C ASP A 2 1.598 -15.655 6.982 1.00 0.00 C ATOM 13 O ASP A 2 1.787 -15.962 8.161 1.00 0.00 O ATOM 14 CB ASP A 2 -0.718 -16.602 7.211 1.00 0.00 C ATOM 15 CG ASP A 2 -1.960 -17.162 6.530 1.00 0.00 C ATOM 16 OD1 ASP A 2 -2.711 -16.383 5.907 1.00 0.00 O ATOM 17 OD2 ASP A 2 -2.196 -18.390 6.615 1.00 0.00 O ATOM 0 H ASP A 2 0.537 -18.203 5.713 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.019 -15.371 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.312 -17.355 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.002 -15.745 7.822 1.00 0.00 H new ATOM 22 N ILE A 3 2.441 -14.891 6.294 1.00 0.00 N ATOM 23 CA ILE A 3 3.648 -14.336 6.899 1.00 0.00 C ATOM 24 C ILE A 3 3.308 -13.067 7.706 1.00 0.00 C ATOM 25 O ILE A 3 3.732 -11.952 7.386 1.00 0.00 O ATOM 26 CB ILE A 3 4.738 -14.052 5.825 1.00 0.00 C ATOM 27 CG1 ILE A 3 6.025 -13.501 6.471 1.00 0.00 C ATOM 28 CG2 ILE A 3 4.210 -13.106 4.747 1.00 0.00 C ATOM 29 CD1 ILE A 3 7.143 -13.230 5.482 1.00 0.00 C ATOM 0 H ILE A 3 2.310 -14.641 5.314 1.00 0.00 H new ATOM 0 HA ILE A 3 4.058 -15.076 7.586 1.00 0.00 H new ATOM 0 HB ILE A 3 4.989 -14.997 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.788 -12.577 6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.378 -14.212 7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.991 -12.924 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.347 -13.557 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.915 -12.161 5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.013 -12.845 6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.410 -14.156 4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.810 -12.495 4.749 1.00 0.00 H new ATOM 41 N ARG A 4 2.522 -13.246 8.764 1.00 0.00 N ATOM 42 CA ARG A 4 2.061 -12.123 9.577 1.00 0.00 C ATOM 43 C ARG A 4 3.193 -11.516 10.393 1.00 0.00 C ATOM 44 O ARG A 4 3.072 -10.389 10.875 1.00 0.00 O ATOM 45 CB ARG A 4 0.910 -12.532 10.508 1.00 0.00 C ATOM 46 CG ARG A 4 -0.420 -12.752 9.793 1.00 0.00 C ATOM 47 CD ARG A 4 -1.597 -12.648 10.759 1.00 0.00 C ATOM 48 NE ARG A 4 -1.628 -11.344 11.433 1.00 0.00 N ATOM 49 CZ ARG A 4 -2.741 -10.712 11.812 1.00 0.00 C ATOM 50 NH1 ARG A 4 -3.931 -11.253 11.589 1.00 0.00 N ATOM 51 NH2 ARG A 4 -2.655 -9.532 12.414 1.00 0.00 N ATOM 0 H ARG A 4 2.191 -14.158 9.079 1.00 0.00 H new ATOM 0 HA ARG A 4 1.693 -11.368 8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.186 -13.449 11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.779 -11.761 11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.534 -12.015 8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.422 -13.734 9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.529 -12.800 10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.529 -13.442 11.503 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.736 -10.889 11.625 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.001 -12.159 11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.777 -10.764 11.882 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.741 -9.112 12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.503 -9.045 12.705 1.00 0.00 H new ATOM 65 N ASP A 5 4.289 -12.255 10.550 1.00 0.00 N ATOM 66 CA ASP A 5 5.447 -11.744 11.285 1.00 0.00 C ATOM 67 C ASP A 5 5.888 -10.411 10.688 1.00 0.00 C ATOM 68 O ASP A 5 5.969 -9.396 11.388 1.00 0.00 O ATOM 69 CB ASP A 5 6.607 -12.748 11.228 1.00 0.00 C ATOM 70 CG ASP A 5 7.804 -12.316 12.070 1.00 0.00 C ATOM 71 OD1 ASP A 5 8.606 -11.479 11.602 1.00 0.00 O ATOM 72 OD2 ASP A 5 7.952 -12.826 13.204 1.00 0.00 O ATOM 0 H ASP A 5 4.401 -13.200 10.183 1.00 0.00 H new ATOM 0 HA ASP A 5 5.163 -11.599 12.327 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.257 -13.721 11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.923 -12.873 10.192 1.00 0.00 H new ATOM 77 N TYR A 6 6.095 -10.411 9.369 1.00 0.00 N ATOM 78 CA TYR A 6 6.491 -9.203 8.659 1.00 0.00 C ATOM 79 C TYR A 6 5.351 -8.194 8.714 1.00 0.00 C ATOM 80 O TYR A 6 5.568 -7.013 8.976 1.00 0.00 O ATOM 81 CB TYR A 6 6.882 -9.517 7.192 1.00 0.00 C ATOM 82 CG TYR A 6 5.981 -8.874 6.145 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.162 -7.546 5.761 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.935 -9.584 5.562 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.332 -6.953 4.834 1.00 0.00 C ATOM 86 CE2 TYR A 6 4.100 -8.992 4.634 1.00 0.00 C ATOM 87 CZ TYR A 6 4.302 -7.679 4.273 1.00 0.00 C ATOM 88 OH TYR A 6 3.472 -7.087 3.351 1.00 0.00 O ATOM 0 H TYR A 6 5.994 -11.235 8.776 1.00 0.00 H new ATOM 0 HA TYR A 6 7.371 -8.779 9.143 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.907 -9.185 7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.869 -10.598 7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.966 -6.972 6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.774 -10.615 5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.488 -5.923 4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.292 -9.557 4.194 1.00 0.00 H new ATOM 0 HH TYR A 6 4.010 -6.692 2.633 1.00 0.00 H new ATOM 98 N ASN A 7 4.133 -8.681 8.474 1.00 0.00 N ATOM 99 CA ASN A 7 2.950 -7.828 8.486 1.00 0.00 C ATOM 100 C ASN A 7 2.900 -7.015 9.772 1.00 0.00 C ATOM 101 O ASN A 7 3.295 -5.851 9.788 1.00 0.00 O ATOM 102 CB ASN A 7 1.661 -8.655 8.321 1.00 0.00 C ATOM 103 CG ASN A 7 1.350 -8.985 6.870 1.00 0.00 C ATOM 104 OD1 ASN A 7 0.665 -8.226 6.193 1.00 0.00 O ATOM 105 ND2 ASN A 7 1.842 -10.115 6.384 1.00 0.00 N ATOM 0 H ASN A 7 3.943 -9.662 8.269 1.00 0.00 H new ATOM 0 HA ASN A 7 3.018 -7.146 7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.755 -9.582 8.887 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.824 -8.104 8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.655 -10.378 5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.408 -10.722 6.977 1.00 0.00 H new ATOM 112 N ASP A 8 2.474 -7.649 10.854 1.00 0.00 N ATOM 113 CA ASP A 8 2.325 -6.970 12.134 1.00 0.00 C ATOM 114 C ASP A 8 3.612 -6.228 12.509 1.00 0.00 C ATOM 115 O ASP A 8 3.619 -4.995 12.618 1.00 0.00 O ATOM 116 CB ASP A 8 1.942 -7.977 13.232 1.00 0.00 C ATOM 117 CG ASP A 8 0.579 -8.623 12.992 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.480 -9.518 12.126 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.404 -8.236 13.664 1.00 0.00 O ATOM 0 H ASP A 8 2.224 -8.638 10.872 1.00 0.00 H new ATOM 0 HA ASP A 8 1.525 -6.235 12.042 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.703 -8.755 13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.934 -7.470 14.197 1.00 0.00 H new ATOM 124 N ALA A 9 4.714 -6.970 12.635 1.00 0.00 N ATOM 125 CA ALA A 9 5.949 -6.406 13.169 1.00 0.00 C ATOM 126 C ALA A 9 6.560 -5.371 12.225 1.00 0.00 C ATOM 127 O ALA A 9 6.690 -4.197 12.581 1.00 0.00 O ATOM 128 CB ALA A 9 6.959 -7.511 13.469 1.00 0.00 C ATOM 0 H ALA A 9 4.774 -7.955 12.376 1.00 0.00 H new ATOM 0 HA ALA A 9 5.696 -5.895 14.098 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.873 -7.070 13.866 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.539 -8.198 14.203 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.187 -8.054 12.552 1.00 0.00 H new ATOM 134 N ASP A 10 6.903 -5.799 11.014 1.00 0.00 N ATOM 135 CA ASP A 10 7.697 -4.973 10.104 1.00 0.00 C ATOM 136 C ASP A 10 6.885 -3.777 9.600 1.00 0.00 C ATOM 137 O ASP A 10 7.408 -2.655 9.501 1.00 0.00 O ATOM 138 CB ASP A 10 8.228 -5.818 8.934 1.00 0.00 C ATOM 139 CG ASP A 10 9.450 -5.207 8.266 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.473 -5.008 8.962 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.415 -4.960 7.040 1.00 0.00 O ATOM 0 H ASP A 10 6.645 -6.712 10.638 1.00 0.00 H new ATOM 0 HA ASP A 10 8.553 -4.582 10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.480 -6.814 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.438 -5.939 8.193 1.00 0.00 H new ATOM 146 N MET A 11 5.595 -3.997 9.317 1.00 0.00 N ATOM 147 CA MET A 11 4.738 -2.896 8.887 1.00 0.00 C ATOM 148 C MET A 11 4.611 -1.886 10.020 1.00 0.00 C ATOM 149 O MET A 11 4.755 -0.688 9.796 1.00 0.00 O ATOM 150 CB MET A 11 3.349 -3.382 8.441 1.00 0.00 C ATOM 151 CG MET A 11 3.351 -4.292 7.207 1.00 0.00 C ATOM 152 SD MET A 11 3.143 -3.400 5.644 1.00 0.00 S ATOM 153 CE MET A 11 4.691 -2.515 5.496 1.00 0.00 C ATOM 0 H MET A 11 5.135 -4.905 9.377 1.00 0.00 H new ATOM 0 HA MET A 11 5.201 -2.424 8.020 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.884 -3.917 9.269 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.725 -2.513 8.233 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.289 -4.846 7.177 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.551 -5.025 7.306 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.830 -2.195 4.463 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.674 -1.641 6.148 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.513 -3.169 5.787 1.00 0.00 H new ATOM 163 N ALA A 12 4.374 -2.368 11.248 1.00 0.00 N ATOM 164 CA ALA A 12 4.312 -1.474 12.406 1.00 0.00 C ATOM 165 C ALA A 12 5.591 -0.638 12.498 1.00 0.00 C ATOM 166 O ALA A 12 5.541 0.572 12.738 1.00 0.00 O ATOM 167 CB ALA A 12 4.097 -2.263 13.694 1.00 0.00 C ATOM 0 H ALA A 12 4.225 -3.354 11.461 1.00 0.00 H new ATOM 0 HA ALA A 12 3.463 -0.804 12.275 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.055 -1.576 14.539 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.160 -2.817 13.629 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.922 -2.961 13.835 1.00 0.00 H new ATOM 173 N ARG A 13 6.731 -1.297 12.268 1.00 0.00 N ATOM 174 CA ARG A 13 8.036 -0.637 12.305 1.00 0.00 C ATOM 175 C ARG A 13 8.065 0.575 11.377 1.00 0.00 C ATOM 176 O ARG A 13 8.233 1.713 11.828 1.00 0.00 O ATOM 177 CB ARG A 13 9.159 -1.606 11.894 1.00 0.00 C ATOM 178 CG ARG A 13 9.353 -2.787 12.837 1.00 0.00 C ATOM 179 CD ARG A 13 10.352 -3.796 12.277 1.00 0.00 C ATOM 180 NE ARG A 13 10.452 -4.991 13.116 1.00 0.00 N ATOM 181 CZ ARG A 13 10.635 -6.232 12.656 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.734 -6.467 11.347 1.00 0.00 N ATOM 183 NH2 ARG A 13 10.712 -7.239 13.512 1.00 0.00 N ATOM 0 H ARG A 13 6.774 -2.293 12.053 1.00 0.00 H new ATOM 0 HA ARG A 13 8.200 -0.310 13.332 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.945 -1.987 10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.095 -1.051 11.830 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.703 -2.427 13.805 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.395 -3.279 13.007 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.051 -4.084 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.333 -3.328 12.194 1.00 0.00 H new ATOM 0 HE ARG A 13 10.376 -4.867 14.126 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.670 -5.695 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.874 -7.419 11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.632 -7.064 14.514 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.852 -8.190 13.170 1.00 0.00 H new ATOM 197 N LEU A 14 7.885 0.333 10.079 1.00 0.00 N ATOM 198 CA LEU A 14 8.081 1.389 9.085 1.00 0.00 C ATOM 199 C LEU A 14 6.870 2.327 8.980 1.00 0.00 C ATOM 200 O LEU A 14 6.997 3.443 8.480 1.00 0.00 O ATOM 201 CB LEU A 14 8.467 0.785 7.718 1.00 0.00 C ATOM 202 CG LEU A 14 7.414 -0.104 7.024 1.00 0.00 C ATOM 203 CD1 LEU A 14 6.545 0.720 6.075 1.00 0.00 C ATOM 204 CD2 LEU A 14 8.087 -1.258 6.276 1.00 0.00 C ATOM 0 H LEU A 14 7.608 -0.570 9.695 1.00 0.00 H new ATOM 0 HA LEU A 14 8.911 2.009 9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.717 1.604 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.374 0.195 7.852 1.00 0.00 H new ATOM 0 HG LEU A 14 6.768 -0.526 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.811 0.071 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.030 1.499 6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.174 1.179 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.326 -1.872 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.762 -0.857 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.653 -1.868 6.981 1.00 0.00 H new ATOM 216 N LEU A 15 5.703 1.895 9.467 1.00 0.00 N ATOM 217 CA LEU A 15 4.517 2.764 9.486 1.00 0.00 C ATOM 218 C LEU A 15 4.577 3.745 10.657 1.00 0.00 C ATOM 219 O LEU A 15 4.050 4.859 10.565 1.00 0.00 O ATOM 220 CB LEU A 15 3.203 1.955 9.548 1.00 0.00 C ATOM 221 CG LEU A 15 2.583 1.567 8.189 1.00 0.00 C ATOM 222 CD1 LEU A 15 2.383 2.799 7.309 1.00 0.00 C ATOM 223 CD2 LEU A 15 3.429 0.525 7.469 1.00 0.00 C ATOM 0 H LEU A 15 5.552 0.962 9.849 1.00 0.00 H new ATOM 0 HA LEU A 15 4.523 3.322 8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.388 1.042 10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.469 2.534 10.108 1.00 0.00 H new ATOM 0 HG LEU A 15 1.607 1.125 8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.945 2.499 6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.716 3.500 7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.345 3.279 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.964 0.274 6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.427 0.926 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.502 -0.372 8.084 1.00 0.00 H new ATOM 235 N GLU A 16 5.217 3.329 11.755 1.00 0.00 N ATOM 236 CA GLU A 16 5.383 4.184 12.935 1.00 0.00 C ATOM 237 C GLU A 16 5.938 5.556 12.531 1.00 0.00 C ATOM 238 O GLU A 16 5.518 6.598 13.052 1.00 0.00 O ATOM 239 CB GLU A 16 6.324 3.505 13.946 1.00 0.00 C ATOM 240 CG GLU A 16 6.469 4.243 15.277 1.00 0.00 C ATOM 241 CD GLU A 16 5.187 4.245 16.099 1.00 0.00 C ATOM 242 OE1 GLU A 16 4.941 3.259 16.828 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.434 5.234 16.033 1.00 0.00 O ATOM 0 H GLU A 16 5.630 2.401 11.851 1.00 0.00 H new ATOM 0 HA GLU A 16 4.409 4.331 13.401 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.958 2.497 14.143 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.310 3.403 13.493 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.266 3.779 15.858 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.772 5.272 15.084 1.00 0.00 H new ATOM 250 N GLN A 17 6.865 5.542 11.574 1.00 0.00 N ATOM 251 CA GLN A 17 7.494 6.763 11.075 1.00 0.00 C ATOM 252 C GLN A 17 6.462 7.703 10.453 1.00 0.00 C ATOM 253 O GLN A 17 6.535 8.915 10.628 1.00 0.00 O ATOM 254 CB GLN A 17 8.584 6.431 10.045 1.00 0.00 C ATOM 255 CG GLN A 17 9.159 7.660 9.340 1.00 0.00 C ATOM 256 CD GLN A 17 10.291 7.330 8.381 1.00 0.00 C ATOM 257 OE1 GLN A 17 10.354 6.236 7.828 1.00 0.00 O ATOM 258 NE2 GLN A 17 11.183 8.286 8.168 1.00 0.00 N ATOM 0 H GLN A 17 7.199 4.689 11.125 1.00 0.00 H new ATOM 0 HA GLN A 17 7.952 7.268 11.926 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.393 5.898 10.544 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.171 5.754 9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.362 8.161 8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.521 8.364 10.090 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.095 9.182 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.958 8.126 7.524 1.00 0.00 H new ATOM 267 N TRP A 18 5.496 7.136 9.740 1.00 0.00 N ATOM 268 CA TRP A 18 4.506 7.935 9.026 1.00 0.00 C ATOM 269 C TRP A 18 3.615 8.706 9.996 1.00 0.00 C ATOM 270 O TRP A 18 3.332 9.891 9.785 1.00 0.00 O ATOM 271 CB TRP A 18 3.673 7.040 8.106 1.00 0.00 C ATOM 272 CG TRP A 18 4.474 6.536 6.947 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.409 5.541 6.958 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.426 7.028 5.607 1.00 0.00 C ATOM 275 NE1 TRP A 18 5.952 5.396 5.708 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.361 6.291 4.861 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.683 8.022 4.969 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.575 6.520 3.511 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.893 8.244 3.623 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.833 7.496 2.906 1.00 0.00 C ATOM 0 H TRP A 18 5.377 6.128 9.641 1.00 0.00 H new ATOM 0 HA TRP A 18 5.031 8.668 8.414 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.285 6.195 8.675 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.812 7.598 7.738 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.680 4.955 7.824 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.679 4.728 5.451 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.958 8.606 5.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.303 5.947 2.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.322 9.007 3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.975 7.693 1.854 1.00 0.00 H new ATOM 291 N GLU A 19 3.198 8.041 11.068 1.00 0.00 N ATOM 292 CA GLU A 19 2.434 8.706 12.115 1.00 0.00 C ATOM 293 C GLU A 19 3.297 9.795 12.736 1.00 0.00 C ATOM 294 O GLU A 19 2.868 10.936 12.899 1.00 0.00 O ATOM 295 CB GLU A 19 1.986 7.699 13.186 1.00 0.00 C ATOM 296 CG GLU A 19 1.094 6.579 12.651 1.00 0.00 C ATOM 297 CD GLU A 19 -0.117 7.097 11.886 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.854 7.954 12.428 1.00 0.00 O ATOM 299 OE2 GLU A 19 -0.323 6.676 10.728 1.00 0.00 O ATOM 0 H GLU A 19 3.375 7.050 11.234 1.00 0.00 H new ATOM 0 HA GLU A 19 1.538 9.150 11.682 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.869 7.257 13.647 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.450 8.233 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.682 5.935 11.997 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.755 5.963 13.484 1.00 0.00 H new ATOM 306 N LYS A 20 4.536 9.423 13.039 1.00 0.00 N ATOM 307 CA LYS A 20 5.524 10.338 13.599 1.00 0.00 C ATOM 308 C LYS A 20 5.647 11.622 12.765 1.00 0.00 C ATOM 309 O LYS A 20 5.486 12.724 13.289 1.00 0.00 O ATOM 310 CB LYS A 20 6.882 9.617 13.671 1.00 0.00 C ATOM 311 CG LYS A 20 8.097 10.536 13.731 1.00 0.00 C ATOM 312 CD LYS A 20 9.393 9.751 13.538 1.00 0.00 C ATOM 313 CE LYS A 20 10.566 10.670 13.232 1.00 0.00 C ATOM 314 NZ LYS A 20 10.333 11.484 12.005 1.00 0.00 N ATOM 0 H LYS A 20 4.885 8.474 12.902 1.00 0.00 H new ATOM 0 HA LYS A 20 5.201 10.633 14.597 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.888 8.973 14.551 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.979 8.968 12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.015 11.303 12.961 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.120 11.051 14.692 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.607 9.175 14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.268 9.037 12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.738 11.333 14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.470 10.074 13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.052 11.250 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.388 11.276 11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.396 12.495 12.242 1.00 0.00 H new ATOM 328 N ASP A 21 5.899 11.467 11.469 1.00 0.00 N ATOM 329 CA ASP A 21 6.184 12.606 10.592 1.00 0.00 C ATOM 330 C ASP A 21 4.952 13.474 10.362 1.00 0.00 C ATOM 331 O ASP A 21 5.060 14.702 10.326 1.00 0.00 O ATOM 332 CB ASP A 21 6.788 12.136 9.256 1.00 0.00 C ATOM 333 CG ASP A 21 8.299 11.944 9.349 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.748 10.960 9.977 1.00 0.00 O ATOM 335 OD2 ASP A 21 9.046 12.802 8.829 1.00 0.00 O ATOM 0 H ASP A 21 5.912 10.562 10.998 1.00 0.00 H new ATOM 0 HA ASP A 21 6.922 13.227 11.100 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.321 11.198 8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.562 12.866 8.479 1.00 0.00 H new ATOM 340 N ASP A 22 3.783 12.853 10.216 1.00 0.00 N ATOM 341 CA ASP A 22 2.539 13.618 10.091 1.00 0.00 C ATOM 342 C ASP A 22 2.340 14.472 11.345 1.00 0.00 C ATOM 343 O ASP A 22 2.051 15.673 11.268 1.00 0.00 O ATOM 344 CB ASP A 22 1.336 12.683 9.876 1.00 0.00 C ATOM 345 CG ASP A 22 0.011 13.433 9.746 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.632 13.708 10.785 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.400 13.734 8.603 1.00 0.00 O ATOM 0 H ASP A 22 3.669 11.840 10.181 1.00 0.00 H new ATOM 0 HA ASP A 22 2.611 14.269 9.220 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.501 12.089 8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.272 11.985 10.711 1.00 0.00 H new ATOM 352 N ASP A 23 2.551 13.846 12.502 1.00 0.00 N ATOM 353 CA ASP A 23 2.427 14.524 13.791 1.00 0.00 C ATOM 354 C ASP A 23 3.507 15.595 13.965 1.00 0.00 C ATOM 355 O ASP A 23 3.297 16.581 14.671 1.00 0.00 O ATOM 356 CB ASP A 23 2.489 13.517 14.952 1.00 0.00 C ATOM 357 CG ASP A 23 1.209 12.702 15.108 1.00 0.00 C ATOM 358 OD1 ASP A 23 0.126 13.307 15.248 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.279 11.456 15.133 1.00 0.00 O ATOM 0 H ASP A 23 2.811 12.862 12.572 1.00 0.00 H new ATOM 0 HA ASP A 23 1.454 15.015 13.807 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.327 12.839 14.792 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.686 14.054 15.880 1.00 0.00 H new ATOM 364 N ILE A 24 4.663 15.402 13.329 1.00 0.00 N ATOM 365 CA ILE A 24 5.729 16.405 13.365 1.00 0.00 C ATOM 366 C ILE A 24 5.333 17.627 12.540 1.00 0.00 C ATOM 367 O ILE A 24 5.534 18.770 12.965 1.00 0.00 O ATOM 368 CB ILE A 24 7.085 15.845 12.848 1.00 0.00 C ATOM 369 CG1 ILE A 24 7.640 14.792 13.821 1.00 0.00 C ATOM 370 CG2 ILE A 24 8.101 16.972 12.640 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.960 14.188 13.388 1.00 0.00 C ATOM 0 H ILE A 24 4.885 14.567 12.786 1.00 0.00 H new ATOM 0 HA ILE A 24 5.864 16.689 14.409 1.00 0.00 H new ATOM 0 HB ILE A 24 6.908 15.368 11.884 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.766 15.250 14.802 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.906 13.994 13.933 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.040 16.553 12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.714 17.680 11.908 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.273 17.486 13.586 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.284 13.455 14.127 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.837 13.699 12.422 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.710 14.975 13.304 1.00 0.00 H new ATOM 383 N GLU A 25 4.755 17.386 11.367 1.00 0.00 N ATOM 384 CA GLU A 25 4.325 18.472 10.490 1.00 0.00 C ATOM 385 C GLU A 25 3.069 19.140 11.061 1.00 0.00 C ATOM 386 O GLU A 25 2.711 20.256 10.676 1.00 0.00 O ATOM 387 CB GLU A 25 4.080 17.955 9.068 1.00 0.00 C ATOM 388 CG GLU A 25 3.946 19.060 8.021 1.00 0.00 C ATOM 389 CD GLU A 25 5.194 19.925 7.904 1.00 0.00 C ATOM 390 OE1 GLU A 25 6.221 19.430 7.398 1.00 0.00 O ATOM 391 OE2 GLU A 25 5.152 21.099 8.322 1.00 0.00 O ATOM 0 H GLU A 25 4.574 16.451 11.002 1.00 0.00 H new ATOM 0 HA GLU A 25 5.118 19.219 10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.902 17.297 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.172 17.351 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.731 18.610 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.095 19.692 8.275 1.00 0.00 H new ATOM 398 N GLU A 26 2.405 18.444 11.990 1.00 0.00 N ATOM 399 CA GLU A 26 1.340 19.045 12.799 1.00 0.00 C ATOM 400 C GLU A 26 1.900 20.247 13.581 1.00 0.00 C ATOM 401 O GLU A 26 1.153 21.088 14.092 1.00 0.00 O ATOM 402 CB GLU A 26 0.756 17.996 13.761 1.00 0.00 C ATOM 403 CG GLU A 26 -0.487 18.453 14.517 1.00 0.00 C ATOM 404 CD GLU A 26 -1.673 18.705 13.601 1.00 0.00 C ATOM 405 OE1 GLU A 26 -2.417 17.749 13.295 1.00 0.00 O ATOM 406 OE2 GLU A 26 -1.873 19.861 13.177 1.00 0.00 O ATOM 0 H GLU A 26 2.587 17.463 12.200 1.00 0.00 H new ATOM 0 HA GLU A 26 0.541 19.395 12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.511 17.098 13.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.523 17.717 14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.757 17.697 15.254 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.257 19.366 15.066 1.00 0.00 H new ATOM 413 N GLY A 27 3.230 20.317 13.638 1.00 0.00 N ATOM 414 CA GLY A 27 3.920 21.445 14.238 1.00 0.00 C ATOM 415 C GLY A 27 4.259 21.230 15.700 1.00 0.00 C ATOM 416 O GLY A 27 4.356 22.191 16.468 1.00 0.00 O ATOM 0 H GLY A 27 3.850 19.596 13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.838 21.637 13.683 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.298 22.335 14.143 1.00 0.00 H new ATOM 420 N ASP A 28 4.443 19.972 16.087 1.00 0.00 N ATOM 421 CA ASP A 28 4.924 19.635 17.426 1.00 0.00 C ATOM 422 C ASP A 28 5.490 18.218 17.438 1.00 0.00 C ATOM 423 O ASP A 28 5.174 17.413 16.562 1.00 0.00 O ATOM 424 CB ASP A 28 3.814 19.785 18.481 1.00 0.00 C ATOM 425 CG ASP A 28 2.692 18.772 18.332 1.00 0.00 C ATOM 426 OD1 ASP A 28 1.779 19.003 17.514 1.00 0.00 O ATOM 427 OD2 ASP A 28 2.700 17.753 19.055 1.00 0.00 O ATOM 0 H ASP A 28 4.266 19.164 15.490 1.00 0.00 H new ATOM 0 HA ASP A 28 5.717 20.336 17.685 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.252 19.686 19.474 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.396 20.790 18.416 1.00 0.00 H new ATOM 432 N LEU A 29 6.336 17.924 18.421 1.00 0.00 N ATOM 433 CA LEU A 29 7.025 16.636 18.490 1.00 0.00 C ATOM 434 C LEU A 29 6.177 15.601 19.234 1.00 0.00 C ATOM 435 O LEU A 29 5.806 15.810 20.392 1.00 0.00 O ATOM 436 CB LEU A 29 8.395 16.787 19.176 1.00 0.00 C ATOM 437 CG LEU A 29 9.447 17.608 18.401 1.00 0.00 C ATOM 438 CD1 LEU A 29 9.629 17.057 16.987 1.00 0.00 C ATOM 439 CD2 LEU A 29 9.075 19.090 18.362 1.00 0.00 C ATOM 0 H LEU A 29 6.562 18.562 19.184 1.00 0.00 H new ATOM 0 HA LEU A 29 7.181 16.287 17.469 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.243 17.253 20.150 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.801 15.792 19.358 1.00 0.00 H new ATOM 0 HG LEU A 29 10.396 17.517 18.929 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.375 17.651 16.458 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.962 16.020 17.040 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.680 17.107 16.452 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.835 19.642 17.809 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.110 19.210 17.870 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.014 19.477 19.379 1.00 0.00 H new ATOM 451 N LEU A 62 -4.783 8.074 4.400 1.00 0.00 N ATOM 452 CA LEU A 62 -5.077 6.638 4.302 1.00 0.00 C ATOM 453 C LEU A 62 -3.821 5.804 4.061 1.00 0.00 C ATOM 454 O LEU A 62 -2.823 6.279 3.505 1.00 0.00 O ATOM 455 CB LEU A 62 -6.089 6.360 3.167 1.00 0.00 C ATOM 456 CG LEU A 62 -7.549 6.762 3.446 1.00 0.00 C ATOM 457 CD1 LEU A 62 -8.416 6.540 2.209 1.00 0.00 C ATOM 458 CD2 LEU A 62 -8.109 5.986 4.640 1.00 0.00 C ATOM 0 HA LEU A 62 -5.505 6.346 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.754 6.885 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.064 5.294 2.939 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.566 7.824 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.444 6.830 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.036 7.144 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.388 5.487 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.141 6.287 4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.074 4.917 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.511 6.200 5.526 1.00 0.00 H new ATOM 470 N MET A 63 -3.894 4.549 4.493 1.00 0.00 N ATOM 471 CA MET A 63 -2.881 3.545 4.199 1.00 0.00 C ATOM 472 C MET A 63 -3.579 2.223 3.868 1.00 0.00 C ATOM 473 O MET A 63 -4.268 1.629 4.715 1.00 0.00 O ATOM 474 CB MET A 63 -1.901 3.386 5.375 1.00 0.00 C ATOM 475 CG MET A 63 -2.562 3.061 6.708 1.00 0.00 C ATOM 476 SD MET A 63 -1.373 2.883 8.052 1.00 0.00 S ATOM 477 CE MET A 63 -0.669 4.529 8.110 1.00 0.00 C ATOM 0 H MET A 63 -4.665 4.199 5.062 1.00 0.00 H new ATOM 0 HA MET A 63 -2.291 3.863 3.339 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.190 2.596 5.134 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.329 4.308 5.482 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.271 3.850 6.959 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.133 2.138 6.610 1.00 0.00 H new ATOM 0 HE1 MET A 63 -0.035 4.623 8.992 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.072 4.701 7.214 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.471 5.266 8.159 1.00 0.00 H new ATOM 487 N MET A 64 -3.434 1.787 2.621 1.00 0.00 N ATOM 488 CA MET A 64 -4.154 0.620 2.118 1.00 0.00 C ATOM 489 C MET A 64 -3.200 -0.552 1.919 1.00 0.00 C ATOM 490 O MET A 64 -2.269 -0.476 1.120 1.00 0.00 O ATOM 491 CB MET A 64 -4.856 0.958 0.792 1.00 0.00 C ATOM 492 CG MET A 64 -5.829 2.129 0.890 1.00 0.00 C ATOM 493 SD MET A 64 -6.609 2.538 -0.687 1.00 0.00 S ATOM 494 CE MET A 64 -7.600 1.074 -0.992 1.00 0.00 C ATOM 0 H MET A 64 -2.820 2.227 1.935 1.00 0.00 H new ATOM 0 HA MET A 64 -4.906 0.336 2.854 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.101 1.188 0.040 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.396 0.078 0.443 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.603 1.890 1.620 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.298 3.004 1.263 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.229 0.562 -1.880 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.535 0.405 -0.134 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.639 1.364 -1.148 1.00 0.00 H new ATOM 504 N PHE A 65 -3.437 -1.628 2.653 1.00 0.00 N ATOM 505 CA PHE A 65 -2.644 -2.845 2.532 1.00 0.00 C ATOM 506 C PHE A 65 -3.377 -3.824 1.621 1.00 0.00 C ATOM 507 O PHE A 65 -4.519 -4.194 1.897 1.00 0.00 O ATOM 508 CB PHE A 65 -2.419 -3.473 3.918 1.00 0.00 C ATOM 509 CG PHE A 65 -1.599 -2.620 4.864 1.00 0.00 C ATOM 510 CD1 PHE A 65 -1.949 -1.300 5.125 1.00 0.00 C ATOM 511 CD2 PHE A 65 -0.479 -3.142 5.498 1.00 0.00 C ATOM 512 CE1 PHE A 65 -1.202 -0.525 5.993 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.268 -2.370 6.366 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.092 -1.060 6.614 1.00 0.00 C ATOM 0 H PHE A 65 -4.182 -1.684 3.348 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.671 -2.606 2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.388 -3.672 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.922 -4.435 3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.817 -0.874 4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.188 -4.165 5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.487 0.499 6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.136 -2.792 6.852 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.493 -0.456 7.292 1.00 0.00 H new ATOM 524 N VAL A 66 -2.741 -4.231 0.531 1.00 0.00 N ATOM 525 CA VAL A 66 -3.389 -5.086 -0.454 1.00 0.00 C ATOM 526 C VAL A 66 -2.673 -6.428 -0.549 1.00 0.00 C ATOM 527 O VAL A 66 -1.573 -6.519 -1.099 1.00 0.00 O ATOM 528 CB VAL A 66 -3.416 -4.413 -1.850 1.00 0.00 C ATOM 529 CG1 VAL A 66 -4.166 -5.277 -2.863 1.00 0.00 C ATOM 530 CG2 VAL A 66 -4.027 -3.015 -1.762 1.00 0.00 C ATOM 0 H VAL A 66 -1.777 -3.983 0.307 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.416 -5.247 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.388 -4.313 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.169 -4.780 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.672 -6.245 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.193 -5.423 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.037 -2.559 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.047 -3.087 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.433 -2.400 -1.086 1.00 0.00 H new ATOM 540 N THR A 67 -3.288 -7.462 0.009 1.00 0.00 N ATOM 541 CA THR A 67 -2.742 -8.807 -0.051 1.00 0.00 C ATOM 542 C THR A 67 -3.026 -9.404 -1.426 1.00 0.00 C ATOM 543 O THR A 67 -4.166 -9.760 -1.733 1.00 0.00 O ATOM 544 CB THR A 67 -3.350 -9.695 1.053 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.324 -8.983 2.302 1.00 0.00 O ATOM 546 CG2 THR A 67 -2.581 -11.010 1.192 1.00 0.00 C ATOM 0 H THR A 67 -4.173 -7.391 0.512 1.00 0.00 H new ATOM 0 HA THR A 67 -1.665 -8.760 0.111 1.00 0.00 H new ATOM 0 HB THR A 67 -4.378 -9.933 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.711 -9.544 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.033 -11.615 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.618 -11.555 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.543 -10.799 1.449 1.00 0.00 H new ATOM 554 N VAL A 68 -1.991 -9.488 -2.256 1.00 0.00 N ATOM 555 CA VAL A 68 -2.166 -9.837 -3.661 1.00 0.00 C ATOM 556 C VAL A 68 -2.111 -11.342 -3.872 1.00 0.00 C ATOM 557 O VAL A 68 -3.080 -11.953 -4.323 1.00 0.00 O ATOM 558 CB VAL A 68 -1.082 -9.167 -4.543 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.334 -9.443 -6.026 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.014 -7.666 -4.269 1.00 0.00 C ATOM 0 H VAL A 68 -1.024 -9.319 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.150 -9.471 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.117 -9.602 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.559 -8.962 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.314 -10.518 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.309 -9.046 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.247 -7.216 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.979 -7.211 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.767 -7.498 -3.221 1.00 0.00 H new ATOM 570 N SER A 69 -0.972 -11.934 -3.544 1.00 0.00 N ATOM 571 CA SER A 69 -0.750 -13.355 -3.776 1.00 0.00 C ATOM 572 C SER A 69 -1.129 -14.183 -2.552 1.00 0.00 C ATOM 573 O SER A 69 -1.819 -15.201 -2.660 1.00 0.00 O ATOM 574 CB SER A 69 0.719 -13.602 -4.147 1.00 0.00 C ATOM 575 OG SER A 69 0.968 -14.976 -4.381 1.00 0.00 O ATOM 0 H SER A 69 -0.183 -11.450 -3.114 1.00 0.00 H new ATOM 0 HA SER A 69 -1.388 -13.667 -4.603 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.972 -13.028 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.364 -13.245 -3.344 1.00 0.00 H new ATOM 0 HG SER A 69 1.870 -15.087 -4.747 1.00 0.00 H new ATOM 581 N GLY A 70 -0.681 -13.736 -1.385 1.00 0.00 N ATOM 582 CA GLY A 70 -0.762 -14.557 -0.190 1.00 0.00 C ATOM 583 C GLY A 70 0.351 -15.590 -0.174 1.00 0.00 C ATOM 584 O GLY A 70 0.426 -16.435 0.718 1.00 0.00 O ATOM 0 H GLY A 70 -0.262 -12.817 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.693 -13.926 0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.730 -15.057 -0.151 1.00 0.00 H new ATOM 588 N ASN A 71 1.204 -15.512 -1.193 1.00 0.00 N ATOM 589 CA ASN A 71 2.370 -16.373 -1.331 1.00 0.00 C ATOM 590 C ASN A 71 3.623 -15.494 -1.402 1.00 0.00 C ATOM 591 O ASN A 71 3.657 -14.521 -2.156 1.00 0.00 O ATOM 592 CB ASN A 71 2.228 -17.251 -2.584 1.00 0.00 C ATOM 593 CG ASN A 71 3.426 -18.152 -2.818 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.508 -19.257 -2.277 1.00 0.00 O ATOM 595 ND2 ASN A 71 4.350 -17.697 -3.645 1.00 0.00 N ATOM 0 H ASN A 71 1.101 -14.840 -1.954 1.00 0.00 H new ATOM 0 HA ASN A 71 2.455 -17.038 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.332 -17.865 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.087 -16.611 -3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.170 -18.266 -3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.244 -16.777 -4.072 1.00 0.00 H new ATOM 602 N PRO A 72 4.662 -15.829 -0.615 1.00 0.00 N ATOM 603 CA PRO A 72 5.800 -14.926 -0.333 1.00 0.00 C ATOM 604 C PRO A 72 6.663 -14.527 -1.544 1.00 0.00 C ATOM 605 O PRO A 72 7.453 -13.589 -1.436 1.00 0.00 O ATOM 606 CB PRO A 72 6.632 -15.715 0.697 1.00 0.00 C ATOM 607 CG PRO A 72 6.280 -17.139 0.451 1.00 0.00 C ATOM 608 CD PRO A 72 4.822 -17.126 0.079 1.00 0.00 C ATOM 0 HA PRO A 72 5.429 -13.961 0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.699 -15.541 0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.388 -15.417 1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.887 -17.562 -0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.455 -17.747 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.564 -17.964 -0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.181 -17.194 0.958 1.00 0.00 H new ATOM 616 N THR A 73 6.557 -15.227 -2.680 1.00 0.00 N ATOM 617 CA THR A 73 7.509 -15.020 -3.771 1.00 0.00 C ATOM 618 C THR A 73 7.304 -13.671 -4.481 1.00 0.00 C ATOM 619 O THR A 73 6.186 -13.270 -4.800 1.00 0.00 O ATOM 620 CB THR A 73 7.478 -16.189 -4.788 1.00 0.00 C ATOM 621 OG1 THR A 73 6.163 -16.728 -4.885 1.00 0.00 O ATOM 622 CG2 THR A 73 8.451 -17.295 -4.387 1.00 0.00 C ATOM 0 H THR A 73 5.837 -15.926 -2.864 1.00 0.00 H new ATOM 0 HA THR A 73 8.498 -14.997 -3.314 1.00 0.00 H new ATOM 0 HB THR A 73 7.781 -15.792 -5.757 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.158 -17.465 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.407 -18.101 -5.119 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.464 -16.893 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.178 -17.681 -3.405 1.00 0.00 H new ATOM 630 N GLU A 74 8.424 -12.978 -4.679 1.00 0.00 N ATOM 631 CA GLU A 74 8.485 -11.651 -5.305 1.00 0.00 C ATOM 632 C GLU A 74 7.735 -11.567 -6.638 1.00 0.00 C ATOM 633 O GLU A 74 7.023 -10.594 -6.894 1.00 0.00 O ATOM 634 CB GLU A 74 9.964 -11.305 -5.526 1.00 0.00 C ATOM 635 CG GLU A 74 10.224 -10.034 -6.327 1.00 0.00 C ATOM 636 CD GLU A 74 11.683 -9.910 -6.741 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.160 -10.781 -7.502 1.00 0.00 O ATOM 638 OE2 GLU A 74 12.360 -8.951 -6.313 1.00 0.00 O ATOM 0 H GLU A 74 9.340 -13.330 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 74 7.994 -10.943 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.446 -11.207 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.443 -12.141 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.593 -10.030 -7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.941 -9.166 -5.732 1.00 0.00 H new ATOM 645 N LYS A 75 7.888 -12.600 -7.456 1.00 0.00 N ATOM 646 CA LYS A 75 7.514 -12.557 -8.878 1.00 0.00 C ATOM 647 C LYS A 75 6.101 -12.006 -9.105 1.00 0.00 C ATOM 648 O LYS A 75 5.923 -10.976 -9.768 1.00 0.00 O ATOM 649 CB LYS A 75 7.639 -13.958 -9.508 1.00 0.00 C ATOM 650 CG LYS A 75 9.069 -14.504 -9.543 1.00 0.00 C ATOM 651 CD LYS A 75 9.562 -14.962 -8.165 1.00 0.00 C ATOM 652 CE LYS A 75 11.072 -15.157 -8.139 1.00 0.00 C ATOM 653 NZ LYS A 75 11.800 -13.874 -8.342 1.00 0.00 N ATOM 0 H LYS A 75 8.275 -13.496 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 75 8.208 -11.871 -9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.010 -14.652 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.250 -13.923 -10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.116 -15.342 -10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.738 -13.734 -9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.278 -14.225 -7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.070 -15.897 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.365 -15.594 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.360 -15.865 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.769 -13.963 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.833 -13.650 -9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.307 -13.111 -7.835 1.00 0.00 H new ATOM 667 N GLU A 76 5.115 -12.695 -8.543 1.00 0.00 N ATOM 668 CA GLU A 76 3.703 -12.353 -8.728 1.00 0.00 C ATOM 669 C GLU A 76 3.427 -10.870 -8.443 1.00 0.00 C ATOM 670 O GLU A 76 2.984 -10.125 -9.330 1.00 0.00 O ATOM 671 CB GLU A 76 2.817 -13.247 -7.832 1.00 0.00 C ATOM 672 CG GLU A 76 3.393 -13.524 -6.445 1.00 0.00 C ATOM 673 CD GLU A 76 4.084 -14.877 -6.361 1.00 0.00 C ATOM 674 OE1 GLU A 76 5.170 -15.035 -6.954 1.00 0.00 O ATOM 675 OE2 GLU A 76 3.533 -15.797 -5.715 1.00 0.00 O ATOM 0 H GLU A 76 5.268 -13.507 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 76 3.456 -12.533 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.842 -12.773 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.652 -14.198 -8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.105 -12.740 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.592 -13.482 -5.707 1.00 0.00 H new ATOM 682 N THR A 77 3.704 -10.442 -7.219 1.00 0.00 N ATOM 683 CA THR A 77 3.374 -9.090 -6.792 1.00 0.00 C ATOM 684 C THR A 77 4.270 -8.047 -7.462 1.00 0.00 C ATOM 685 O THR A 77 3.858 -6.901 -7.658 1.00 0.00 O ATOM 686 CB THR A 77 3.457 -8.961 -5.263 1.00 0.00 C ATOM 687 OG1 THR A 77 2.622 -9.961 -4.661 1.00 0.00 O ATOM 688 CG2 THR A 77 3.015 -7.577 -4.790 1.00 0.00 C ATOM 0 H THR A 77 4.157 -11.012 -6.504 1.00 0.00 H new ATOM 0 HA THR A 77 2.348 -8.897 -7.104 1.00 0.00 H new ATOM 0 HB THR A 77 4.496 -9.101 -4.964 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.873 -10.074 -3.721 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.087 -7.524 -3.704 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.659 -6.818 -5.234 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.983 -7.401 -5.094 1.00 0.00 H new ATOM 696 N GLU A 78 5.490 -8.441 -7.814 1.00 0.00 N ATOM 697 CA GLU A 78 6.392 -7.557 -8.546 1.00 0.00 C ATOM 698 C GLU A 78 5.750 -7.152 -9.870 1.00 0.00 C ATOM 699 O GLU A 78 5.622 -5.961 -10.180 1.00 0.00 O ATOM 700 CB GLU A 78 7.743 -8.246 -8.802 1.00 0.00 C ATOM 701 CG GLU A 78 8.704 -7.422 -9.658 1.00 0.00 C ATOM 702 CD GLU A 78 10.027 -8.128 -9.918 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.015 -9.206 -10.554 1.00 0.00 O ATOM 704 OE2 GLU A 78 11.083 -7.597 -9.512 1.00 0.00 O ATOM 0 H GLU A 78 5.876 -9.362 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 78 6.573 -6.666 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.218 -8.461 -7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.565 -9.203 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.227 -7.194 -10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.898 -6.471 -9.163 1.00 0.00 H new ATOM 711 N GLU A 79 5.311 -8.153 -10.627 1.00 0.00 N ATOM 712 CA GLU A 79 4.709 -7.922 -11.935 1.00 0.00 C ATOM 713 C GLU A 79 3.399 -7.149 -11.812 1.00 0.00 C ATOM 714 O GLU A 79 3.196 -6.157 -12.514 1.00 0.00 O ATOM 715 CB GLU A 79 4.492 -9.250 -12.671 1.00 0.00 C ATOM 716 CG GLU A 79 5.793 -9.966 -13.007 1.00 0.00 C ATOM 717 CD GLU A 79 5.587 -11.230 -13.822 1.00 0.00 C ATOM 718 OE1 GLU A 79 5.352 -11.125 -15.045 1.00 0.00 O ATOM 719 OE2 GLU A 79 5.670 -12.335 -13.250 1.00 0.00 O ATOM 0 H GLU A 79 5.361 -9.135 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 79 5.399 -7.314 -12.520 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.873 -9.903 -12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.939 -9.062 -13.592 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.442 -9.287 -13.560 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.311 -10.218 -12.082 1.00 0.00 H new ATOM 726 N ILE A 80 2.520 -7.577 -10.906 1.00 0.00 N ATOM 727 CA ILE A 80 1.218 -6.922 -10.761 1.00 0.00 C ATOM 728 C ILE A 80 1.391 -5.455 -10.337 1.00 0.00 C ATOM 729 O ILE A 80 0.725 -4.569 -10.870 1.00 0.00 O ATOM 730 CB ILE A 80 0.287 -7.671 -9.762 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.173 -7.211 -9.929 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.743 -7.465 -8.322 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.760 -7.497 -11.296 1.00 0.00 C ATOM 0 H ILE A 80 2.680 -8.360 -10.272 1.00 0.00 H new ATOM 0 HA ILE A 80 0.736 -6.954 -11.738 1.00 0.00 H new ATOM 0 HB ILE A 80 0.347 -8.736 -9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.786 -7.701 -9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.229 -6.139 -9.739 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.074 -8.000 -7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.757 -7.846 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.725 -6.402 -8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.790 -7.142 -11.331 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.174 -6.984 -12.058 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.739 -8.571 -11.484 1.00 0.00 H new ATOM 745 N THR A 81 2.313 -5.199 -9.407 1.00 0.00 N ATOM 746 CA THR A 81 2.588 -3.835 -8.953 1.00 0.00 C ATOM 747 C THR A 81 3.220 -3.013 -10.081 1.00 0.00 C ATOM 748 O THR A 81 2.988 -1.801 -10.191 1.00 0.00 O ATOM 749 CB THR A 81 3.509 -3.829 -7.705 1.00 0.00 C ATOM 750 OG1 THR A 81 2.871 -4.535 -6.629 1.00 0.00 O ATOM 751 CG2 THR A 81 3.834 -2.406 -7.252 1.00 0.00 C ATOM 0 H THR A 81 2.880 -5.916 -8.955 1.00 0.00 H new ATOM 0 HA THR A 81 1.638 -3.380 -8.672 1.00 0.00 H new ATOM 0 HB THR A 81 4.442 -4.322 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.980 -5.500 -6.761 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.481 -2.442 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.342 -1.875 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.911 -1.885 -7.000 1.00 0.00 H new ATOM 759 N SER A 82 4.007 -3.677 -10.925 1.00 0.00 N ATOM 760 CA SER A 82 4.577 -3.039 -12.105 1.00 0.00 C ATOM 761 C SER A 82 3.454 -2.589 -13.041 1.00 0.00 C ATOM 762 O SER A 82 3.503 -1.492 -13.615 1.00 0.00 O ATOM 763 CB SER A 82 5.533 -4.001 -12.826 1.00 0.00 C ATOM 764 OG SER A 82 6.112 -3.399 -13.973 1.00 0.00 O ATOM 0 H SER A 82 4.264 -4.658 -10.812 1.00 0.00 H new ATOM 0 HA SER A 82 5.149 -2.164 -11.796 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.321 -4.313 -12.141 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.992 -4.900 -13.120 1.00 0.00 H new ATOM 0 HG SER A 82 6.716 -4.037 -14.408 1.00 0.00 H new ATOM 770 N LEU A 83 2.429 -3.435 -13.171 1.00 0.00 N ATOM 771 CA LEU A 83 1.247 -3.100 -13.960 1.00 0.00 C ATOM 772 C LEU A 83 0.545 -1.890 -13.353 1.00 0.00 C ATOM 773 O LEU A 83 0.161 -0.963 -14.065 1.00 0.00 O ATOM 774 CB LEU A 83 0.276 -4.291 -14.029 1.00 0.00 C ATOM 775 CG LEU A 83 0.871 -5.595 -14.594 1.00 0.00 C ATOM 776 CD1 LEU A 83 -0.181 -6.701 -14.627 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.465 -5.367 -15.984 1.00 0.00 C ATOM 0 H LEU A 83 2.397 -4.358 -12.738 1.00 0.00 H new ATOM 0 HA LEU A 83 1.567 -2.861 -14.974 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.102 -4.489 -13.026 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.579 -4.006 -14.642 1.00 0.00 H new ATOM 0 HG LEU A 83 1.677 -5.913 -13.932 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.262 -7.612 -15.030 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.543 -6.889 -13.616 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.014 -6.392 -15.259 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.879 -6.302 -16.361 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.685 -5.017 -16.660 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.256 -4.619 -15.924 1.00 0.00 H new ATOM 789 N TRP A 84 0.401 -1.903 -12.029 1.00 0.00 N ATOM 790 CA TRP A 84 -0.236 -0.803 -11.306 1.00 0.00 C ATOM 791 C TRP A 84 0.484 0.511 -11.586 1.00 0.00 C ATOM 792 O TRP A 84 -0.147 1.566 -11.698 1.00 0.00 O ATOM 793 CB TRP A 84 -0.252 -1.084 -9.798 1.00 0.00 C ATOM 794 CG TRP A 84 -0.997 -2.330 -9.427 1.00 0.00 C ATOM 795 CD1 TRP A 84 -1.797 -3.082 -10.241 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.017 -2.968 -8.147 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.307 -4.147 -9.545 1.00 0.00 N ATOM 798 CE2 TRP A 84 -1.845 -4.098 -8.257 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.413 -2.695 -6.917 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.085 -4.952 -7.187 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -0.654 -3.546 -5.855 1.00 0.00 C ATOM 802 CH2 TRP A 84 -1.484 -4.662 -5.998 1.00 0.00 C ATOM 0 H TRP A 84 0.718 -2.667 -11.432 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.265 -0.719 -11.656 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.775 -1.165 -9.441 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.702 -0.235 -9.284 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.998 -2.868 -11.280 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -2.930 -4.860 -9.925 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.230 -1.835 -6.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.725 -5.815 -7.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.194 -3.346 -4.899 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.653 -5.308 -5.149 1.00 0.00 H new ATOM 813 N GLN A 85 1.807 0.444 -11.695 1.00 0.00 N ATOM 814 CA GLN A 85 2.600 1.607 -12.073 1.00 0.00 C ATOM 815 C GLN A 85 2.200 2.059 -13.475 1.00 0.00 C ATOM 816 O GLN A 85 1.713 3.177 -13.661 1.00 0.00 O ATOM 817 CB GLN A 85 4.103 1.270 -11.996 1.00 0.00 C ATOM 818 CG GLN A 85 5.056 2.438 -12.290 1.00 0.00 C ATOM 819 CD GLN A 85 5.264 2.701 -13.777 1.00 0.00 C ATOM 820 OE1 GLN A 85 6.131 2.096 -14.407 1.00 0.00 O ATOM 821 NE2 GLN A 85 4.491 3.616 -14.342 1.00 0.00 N ATOM 0 H GLN A 85 2.351 -0.402 -11.527 1.00 0.00 H new ATOM 0 HA GLN A 85 2.408 2.426 -11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.322 0.887 -10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.314 0.465 -12.700 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.665 3.341 -11.822 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.022 2.232 -11.828 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.782 4.097 -13.788 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.604 3.839 -15.331 1.00 0.00 H new ATOM 830 N GLY A 86 2.399 1.171 -14.446 1.00 0.00 N ATOM 831 CA GLY A 86 2.076 1.469 -15.832 1.00 0.00 C ATOM 832 C GLY A 86 0.617 1.834 -16.070 1.00 0.00 C ATOM 833 O GLY A 86 0.290 2.438 -17.092 1.00 0.00 O ATOM 0 H GLY A 86 2.783 0.238 -14.294 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.704 2.293 -16.170 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.327 0.604 -16.446 1.00 0.00 H new ATOM 837 N SER A 87 -0.259 1.462 -15.142 1.00 0.00 N ATOM 838 CA SER A 87 -1.683 1.761 -15.274 1.00 0.00 C ATOM 839 C SER A 87 -2.056 3.037 -14.505 1.00 0.00 C ATOM 840 O SER A 87 -2.345 4.072 -15.108 1.00 0.00 O ATOM 841 CB SER A 87 -2.516 0.571 -14.782 1.00 0.00 C ATOM 842 OG SER A 87 -2.117 -0.629 -15.429 1.00 0.00 O ATOM 0 H SER A 87 -0.010 0.955 -14.293 1.00 0.00 H new ATOM 0 HA SER A 87 -1.901 1.934 -16.328 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.401 0.463 -13.703 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.573 0.758 -14.973 1.00 0.00 H new ATOM 0 HG SER A 87 -1.314 -0.984 -14.994 1.00 0.00 H new ATOM 848 N LEU A 88 -2.014 2.969 -13.172 1.00 0.00 N ATOM 849 CA LEU A 88 -2.473 4.078 -12.330 1.00 0.00 C ATOM 850 C LEU A 88 -1.428 5.186 -12.257 1.00 0.00 C ATOM 851 O LEU A 88 -1.698 6.336 -12.608 1.00 0.00 O ATOM 852 CB LEU A 88 -2.805 3.605 -10.902 1.00 0.00 C ATOM 853 CG LEU A 88 -3.907 2.535 -10.780 1.00 0.00 C ATOM 854 CD1 LEU A 88 -3.379 1.160 -11.164 1.00 0.00 C ATOM 855 CD2 LEU A 88 -4.485 2.512 -9.369 1.00 0.00 C ATOM 0 H LEU A 88 -1.668 2.161 -12.654 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.379 4.468 -12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.894 3.212 -10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.103 4.473 -10.314 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.706 2.797 -11.474 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.177 0.424 -11.069 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.026 1.181 -12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.555 0.889 -10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.261 1.749 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.693 2.284 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.914 3.486 -9.136 1.00 0.00 H new ATOM 867 N PHE A 89 -0.228 4.834 -11.808 1.00 0.00 N ATOM 868 CA PHE A 89 0.819 5.822 -11.553 1.00 0.00 C ATOM 869 C PHE A 89 1.327 6.440 -12.856 1.00 0.00 C ATOM 870 O PHE A 89 2.038 7.447 -12.844 1.00 0.00 O ATOM 871 CB PHE A 89 1.963 5.183 -10.758 1.00 0.00 C ATOM 872 CG PHE A 89 1.518 4.638 -9.421 1.00 0.00 C ATOM 873 CD1 PHE A 89 1.405 5.471 -8.317 1.00 0.00 C ATOM 874 CD2 PHE A 89 1.203 3.293 -9.271 1.00 0.00 C ATOM 875 CE1 PHE A 89 0.993 4.974 -7.095 1.00 0.00 C ATOM 876 CE2 PHE A 89 0.788 2.795 -8.051 1.00 0.00 C ATOM 877 CZ PHE A 89 0.683 3.636 -6.961 1.00 0.00 C ATOM 0 H PHE A 89 0.046 3.871 -11.612 1.00 0.00 H new ATOM 0 HA PHE A 89 0.394 6.630 -10.957 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.401 4.376 -11.346 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.747 5.924 -10.600 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.642 6.520 -8.414 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.284 2.629 -10.119 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.914 5.634 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.546 1.747 -7.950 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.359 3.248 -6.007 1.00 0.00 H new ATOM 887 N ASN A 90 0.935 5.842 -13.977 1.00 0.00 N ATOM 888 CA ASN A 90 1.257 6.374 -15.304 1.00 0.00 C ATOM 889 C ASN A 90 0.433 7.633 -15.570 1.00 0.00 C ATOM 890 O ASN A 90 0.843 8.515 -16.322 1.00 0.00 O ATOM 891 CB ASN A 90 0.980 5.316 -16.382 1.00 0.00 C ATOM 892 CG ASN A 90 1.343 5.780 -17.787 1.00 0.00 C ATOM 893 OD1 ASN A 90 2.259 6.579 -17.979 1.00 0.00 O ATOM 894 ND2 ASN A 90 0.631 5.268 -18.781 1.00 0.00 N ATOM 0 H ASN A 90 0.389 4.981 -13.996 1.00 0.00 H new ATOM 0 HA ASN A 90 2.316 6.631 -15.337 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.543 4.413 -16.148 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.076 5.049 -16.356 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.835 5.534 -19.744 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.121 4.608 -18.583 1.00 0.00 H new ATOM 901 N ALA A 91 -0.733 7.709 -14.927 1.00 0.00 N ATOM 902 CA ALA A 91 -1.579 8.898 -14.986 1.00 0.00 C ATOM 903 C ALA A 91 -1.069 9.954 -14.002 1.00 0.00 C ATOM 904 O ALA A 91 -1.679 11.015 -13.835 1.00 0.00 O ATOM 905 CB ALA A 91 -3.029 8.531 -14.685 1.00 0.00 C ATOM 0 H ALA A 91 -1.114 6.954 -14.356 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.536 9.315 -15.992 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.648 9.427 -14.732 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.381 7.807 -15.420 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.095 8.097 -13.687 1.00 0.00 H new ATOM 911 N ASN A 92 0.055 9.639 -13.355 1.00 0.00 N ATOM 912 CA ASN A 92 0.721 10.540 -12.419 1.00 0.00 C ATOM 913 C ASN A 92 -0.162 10.849 -11.209 1.00 0.00 C ATOM 914 O ASN A 92 -0.618 11.980 -11.029 1.00 0.00 O ATOM 915 CB ASN A 92 1.169 11.836 -13.119 1.00 0.00 C ATOM 916 CG ASN A 92 2.274 11.595 -14.135 1.00 0.00 C ATOM 917 OD1 ASN A 92 3.460 11.641 -13.800 1.00 0.00 O ATOM 918 ND2 ASN A 92 1.897 11.334 -15.378 1.00 0.00 N ATOM 0 H ASN A 92 0.530 8.744 -13.469 1.00 0.00 H new ATOM 0 HA ASN A 92 1.611 10.028 -12.054 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.313 12.290 -13.618 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.517 12.548 -12.371 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.598 11.162 -16.098 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.905 11.305 -15.615 1.00 0.00 H new ATOM 925 N TYR A 93 -0.422 9.825 -10.399 1.00 0.00 N ATOM 926 CA TYR A 93 -1.114 10.013 -9.124 1.00 0.00 C ATOM 927 C TYR A 93 -0.116 10.414 -8.037 1.00 0.00 C ATOM 928 O TYR A 93 1.093 10.204 -8.182 1.00 0.00 O ATOM 929 CB TYR A 93 -1.879 8.744 -8.713 1.00 0.00 C ATOM 930 CG TYR A 93 -3.160 8.521 -9.502 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.091 9.546 -9.644 1.00 0.00 C ATOM 932 CD2 TYR A 93 -3.439 7.299 -10.102 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.257 9.359 -10.358 1.00 0.00 C ATOM 934 CE2 TYR A 93 -4.608 7.106 -10.821 1.00 0.00 C ATOM 935 CZ TYR A 93 -5.512 8.140 -10.944 1.00 0.00 C ATOM 936 OH TYR A 93 -6.672 7.959 -11.666 1.00 0.00 O ATOM 0 H TYR A 93 -0.165 8.859 -10.601 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.842 10.815 -9.247 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.228 7.880 -8.842 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.122 8.804 -7.652 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.897 10.505 -9.187 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.734 6.487 -10.006 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.967 10.167 -10.457 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.810 6.151 -11.283 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.412 7.764 -11.053 1.00 0.00 H new ATOM 946 N ASP A 94 -0.622 10.995 -6.951 1.00 0.00 N ATOM 947 CA ASP A 94 0.228 11.481 -5.857 1.00 0.00 C ATOM 948 C ASP A 94 0.343 10.434 -4.748 1.00 0.00 C ATOM 949 O ASP A 94 0.764 10.735 -3.630 1.00 0.00 O ATOM 950 CB ASP A 94 -0.321 12.806 -5.297 1.00 0.00 C ATOM 951 CG ASP A 94 -0.249 13.944 -6.309 1.00 0.00 C ATOM 952 OD1 ASP A 94 0.839 14.546 -6.463 1.00 0.00 O ATOM 953 OD2 ASP A 94 -1.274 14.235 -6.965 1.00 0.00 O ATOM 0 H ASP A 94 -1.620 11.143 -6.802 1.00 0.00 H new ATOM 0 HA ASP A 94 1.226 11.661 -6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.357 12.664 -4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.243 13.081 -4.406 1.00 0.00 H new ATOM 958 N VAL A 95 -0.031 9.202 -5.076 1.00 0.00 N ATOM 959 CA VAL A 95 0.098 8.072 -4.158 1.00 0.00 C ATOM 960 C VAL A 95 1.475 7.434 -4.308 1.00 0.00 C ATOM 961 O VAL A 95 2.070 7.495 -5.388 1.00 0.00 O ATOM 962 CB VAL A 95 -0.993 7.003 -4.445 1.00 0.00 C ATOM 963 CG1 VAL A 95 -0.873 5.810 -3.497 1.00 0.00 C ATOM 964 CG2 VAL A 95 -2.382 7.630 -4.361 1.00 0.00 C ATOM 0 H VAL A 95 -0.431 8.957 -5.982 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.028 8.444 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.840 6.629 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.652 5.083 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.105 5.345 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.987 6.150 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.137 6.870 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.537 8.038 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.465 8.430 -5.097 1.00 0.00 H new ATOM 974 N GLN A 96 1.989 6.825 -3.240 1.00 0.00 N ATOM 975 CA GLN A 96 3.258 6.098 -3.324 1.00 0.00 C ATOM 976 C GLN A 96 3.098 4.736 -2.667 1.00 0.00 C ATOM 977 O GLN A 96 2.429 4.619 -1.648 1.00 0.00 O ATOM 978 CB GLN A 96 4.402 6.894 -2.670 1.00 0.00 C ATOM 979 CG GLN A 96 5.796 6.330 -2.962 1.00 0.00 C ATOM 980 CD GLN A 96 6.919 7.239 -2.485 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.759 8.457 -2.409 1.00 0.00 O ATOM 982 NE2 GLN A 96 8.075 6.663 -2.179 1.00 0.00 N ATOM 0 H GLN A 96 1.554 6.819 -2.317 1.00 0.00 H new ATOM 0 HA GLN A 96 3.520 5.963 -4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.358 7.926 -3.017 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.247 6.914 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.896 5.357 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.899 6.168 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.176 5.651 -2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.863 7.233 -1.870 1.00 0.00 H new ATOM 991 N ARG A 97 3.700 3.707 -3.255 1.00 0.00 N ATOM 992 CA ARG A 97 3.504 2.340 -2.782 1.00 0.00 C ATOM 993 C ARG A 97 4.839 1.613 -2.685 1.00 0.00 C ATOM 994 O ARG A 97 5.815 2.008 -3.329 1.00 0.00 O ATOM 995 CB ARG A 97 2.537 1.574 -3.714 1.00 0.00 C ATOM 996 CG ARG A 97 3.176 0.967 -4.969 1.00 0.00 C ATOM 997 CD ARG A 97 3.798 2.010 -5.897 1.00 0.00 C ATOM 998 NE ARG A 97 4.359 1.392 -7.104 1.00 0.00 N ATOM 999 CZ ARG A 97 5.427 1.850 -7.768 1.00 0.00 C ATOM 1000 NH1 ARG A 97 6.050 2.953 -7.369 1.00 0.00 N ATOM 1001 NH2 ARG A 97 5.867 1.201 -8.842 1.00 0.00 N ATOM 0 H ARG A 97 4.325 3.792 -4.056 1.00 0.00 H new ATOM 0 HA ARG A 97 3.060 2.382 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.067 0.773 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.743 2.254 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.944 0.254 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.419 0.407 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.042 2.743 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.582 2.550 -5.366 1.00 0.00 H new ATOM 0 HE ARG A 97 3.902 0.553 -7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.715 3.460 -6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.863 3.293 -7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.391 0.356 -9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.681 1.548 -9.350 1.00 0.00 H new ATOM 1015 N PHE A 98 4.874 0.551 -1.886 1.00 0.00 N ATOM 1016 CA PHE A 98 6.080 -0.255 -1.712 1.00 0.00 C ATOM 1017 C PHE A 98 5.737 -1.739 -1.689 1.00 0.00 C ATOM 1018 O PHE A 98 4.611 -2.128 -1.347 1.00 0.00 O ATOM 1019 CB PHE A 98 6.816 0.118 -0.415 1.00 0.00 C ATOM 1020 CG PHE A 98 7.448 1.485 -0.439 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.584 1.722 -1.198 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.911 2.527 0.297 1.00 0.00 C ATOM 1023 CE1 PHE A 98 9.171 2.970 -1.221 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.495 3.775 0.279 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.627 3.998 -0.481 1.00 0.00 C ATOM 0 H PHE A 98 4.074 0.226 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 98 6.735 -0.049 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.113 0.069 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.590 -0.625 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.015 0.919 -1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.025 2.360 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 98 10.055 3.141 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.068 4.579 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 98 9.085 4.976 -0.495 1.00 0.00 H new ATOM 1035 N ILE A 99 6.719 -2.557 -2.055 1.00 0.00 N ATOM 1036 CA ILE A 99 6.583 -4.004 -2.017 1.00 0.00 C ATOM 1037 C ILE A 99 7.560 -4.596 -0.995 1.00 0.00 C ATOM 1038 O ILE A 99 8.718 -4.888 -1.299 1.00 0.00 O ATOM 1039 CB ILE A 99 6.790 -4.641 -3.423 1.00 0.00 C ATOM 1040 CG1 ILE A 99 6.730 -6.180 -3.339 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.102 -4.168 -4.057 1.00 0.00 C ATOM 1042 CD1 ILE A 99 6.880 -6.878 -4.676 1.00 0.00 C ATOM 0 H ILE A 99 7.628 -2.234 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 99 5.565 -4.240 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 99 5.977 -4.308 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.517 -6.528 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.779 -6.472 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.219 -4.629 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.083 -3.084 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.938 -4.454 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.827 -7.957 -4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.079 -6.562 -5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.843 -6.618 -5.116 1.00 0.00 H new ATOM 1054 N VAL A 100 7.087 -4.709 0.235 1.00 0.00 N ATOM 1055 CA VAL A 100 7.813 -5.383 1.305 1.00 0.00 C ATOM 1056 C VAL A 100 6.964 -6.559 1.759 1.00 0.00 C ATOM 1057 O VAL A 100 5.764 -6.398 1.965 1.00 0.00 O ATOM 1058 CB VAL A 100 8.112 -4.427 2.493 1.00 0.00 C ATOM 1059 CG1 VAL A 100 6.837 -3.744 2.985 1.00 0.00 C ATOM 1060 CG2 VAL A 100 8.803 -5.173 3.635 1.00 0.00 C ATOM 0 H VAL A 100 6.183 -4.334 0.524 1.00 0.00 H new ATOM 0 HA VAL A 100 8.781 -5.723 0.936 1.00 0.00 H new ATOM 0 HB VAL A 100 8.790 -3.653 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.077 -3.081 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.399 -3.164 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.125 -4.499 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.001 -4.482 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.157 -5.977 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.744 -5.593 3.279 1.00 0.00 H new ATOM 1070 N GLY A 101 7.570 -7.737 1.899 1.00 0.00 N ATOM 1071 CA GLY A 101 6.780 -8.947 2.041 1.00 0.00 C ATOM 1072 C GLY A 101 5.932 -9.143 0.801 1.00 0.00 C ATOM 1073 O GLY A 101 4.767 -8.756 0.771 1.00 0.00 O ATOM 0 H GLY A 101 8.581 -7.874 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.434 -9.807 2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.143 -8.877 2.923 1.00 0.00 H new ATOM 1077 N SER A 102 6.546 -9.724 -0.225 1.00 0.00 N ATOM 1078 CA SER A 102 6.006 -9.736 -1.582 1.00 0.00 C ATOM 1079 C SER A 102 4.506 -10.045 -1.643 1.00 0.00 C ATOM 1080 O SER A 102 3.778 -9.396 -2.384 1.00 0.00 O ATOM 1081 CB SER A 102 6.789 -10.742 -2.419 1.00 0.00 C ATOM 1082 OG SER A 102 8.184 -10.486 -2.328 1.00 0.00 O ATOM 0 H SER A 102 7.441 -10.205 -0.138 1.00 0.00 H new ATOM 0 HA SER A 102 6.119 -8.729 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.576 -11.754 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.470 -10.685 -3.460 1.00 0.00 H new ATOM 0 HG SER A 102 8.682 -11.274 -2.631 1.00 0.00 H new ATOM 1088 N ASP A 103 4.050 -11.011 -0.852 1.00 0.00 N ATOM 1089 CA ASP A 103 2.645 -11.451 -0.879 1.00 0.00 C ATOM 1090 C ASP A 103 1.666 -10.281 -0.722 1.00 0.00 C ATOM 1091 O ASP A 103 0.501 -10.374 -1.141 1.00 0.00 O ATOM 1092 CB ASP A 103 2.392 -12.488 0.225 1.00 0.00 C ATOM 1093 CG ASP A 103 2.652 -11.937 1.619 1.00 0.00 C ATOM 1094 OD1 ASP A 103 3.837 -11.705 1.950 1.00 0.00 O ATOM 1095 OD2 ASP A 103 1.679 -11.744 2.383 1.00 0.00 O ATOM 0 H ASP A 103 4.630 -11.511 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 103 2.469 -11.901 -1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.361 -12.835 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.031 -13.355 0.057 1.00 0.00 H new ATOM 1100 N ARG A 104 2.145 -9.179 -0.157 1.00 0.00 N ATOM 1101 CA ARG A 104 1.305 -8.025 0.131 1.00 0.00 C ATOM 1102 C ARG A 104 1.982 -6.729 -0.338 1.00 0.00 C ATOM 1103 O ARG A 104 3.166 -6.507 -0.085 1.00 0.00 O ATOM 1104 CB ARG A 104 1.012 -7.970 1.638 1.00 0.00 C ATOM 1105 CG ARG A 104 -0.236 -7.176 2.008 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.564 -7.301 3.494 1.00 0.00 C ATOM 1107 NE ARG A 104 -1.978 -7.027 3.772 1.00 0.00 N ATOM 1108 CZ ARG A 104 -2.508 -6.986 4.998 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.743 -7.154 6.068 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -3.810 -6.783 5.158 1.00 0.00 N ATOM 0 H ARG A 104 3.122 -9.061 0.113 1.00 0.00 H new ATOM 0 HA ARG A 104 0.365 -8.124 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.904 -8.988 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.871 -7.532 2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.088 -6.126 1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.081 -7.530 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.316 -8.306 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.057 -6.608 4.061 1.00 0.00 H new ATOM 0 HE ARG A 104 -2.596 -6.857 2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.742 -7.316 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.156 -7.121 7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.411 -6.658 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.210 -6.753 6.096 1.00 0.00 H new ATOM 1124 N ALA A 105 1.220 -5.883 -1.029 1.00 0.00 N ATOM 1125 CA ALA A 105 1.712 -4.587 -1.500 1.00 0.00 C ATOM 1126 C ALA A 105 1.033 -3.472 -0.705 1.00 0.00 C ATOM 1127 O ALA A 105 -0.183 -3.512 -0.500 1.00 0.00 O ATOM 1128 CB ALA A 105 1.437 -4.428 -2.993 1.00 0.00 C ATOM 0 H ALA A 105 0.249 -6.074 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 105 2.790 -4.529 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.808 -3.460 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.943 -5.222 -3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.364 -4.488 -3.174 1.00 0.00 H new ATOM 1134 N ILE A 106 1.806 -2.487 -0.246 1.00 0.00 N ATOM 1135 CA ILE A 106 1.252 -1.421 0.590 1.00 0.00 C ATOM 1136 C ILE A 106 1.177 -0.089 -0.165 1.00 0.00 C ATOM 1137 O ILE A 106 2.132 0.318 -0.831 1.00 0.00 O ATOM 1138 CB ILE A 106 2.068 -1.246 1.901 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.475 -0.115 2.763 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.545 -0.990 1.596 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.178 0.072 4.091 1.00 0.00 C ATOM 0 H ILE A 106 2.805 -2.405 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 106 0.237 -1.722 0.851 1.00 0.00 H new ATOM 0 HB ILE A 106 2.003 -2.174 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.521 0.819 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.421 -0.325 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.094 -0.871 2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.953 -1.834 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.641 -0.082 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.705 0.885 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.109 -0.848 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.227 0.314 3.917 1.00 0.00 H new ATOM 1153 N PHE A 107 0.018 0.565 -0.065 1.00 0.00 N ATOM 1154 CA PHE A 107 -0.212 1.880 -0.663 1.00 0.00 C ATOM 1155 C PHE A 107 -0.227 2.963 0.418 1.00 0.00 C ATOM 1156 O PHE A 107 -1.007 2.887 1.373 1.00 0.00 O ATOM 1157 CB PHE A 107 -1.558 1.922 -1.410 1.00 0.00 C ATOM 1158 CG PHE A 107 -1.610 1.124 -2.690 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -1.713 -0.258 -2.664 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -1.580 1.766 -3.923 1.00 0.00 C ATOM 1161 CE1 PHE A 107 -1.784 -0.983 -3.837 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -1.647 1.043 -5.098 1.00 0.00 C ATOM 1163 CZ PHE A 107 -1.752 -0.331 -5.054 1.00 0.00 C ATOM 0 H PHE A 107 -0.790 0.195 0.435 1.00 0.00 H new ATOM 0 HA PHE A 107 0.600 2.063 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.337 1.557 -0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.796 2.961 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.738 -0.774 -1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.503 2.843 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.865 -2.059 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.617 1.553 -6.049 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.809 -0.898 -5.972 1.00 0.00 H new ATOM 1173 N MET A 108 0.634 3.961 0.263 1.00 0.00 N ATOM 1174 CA MET A 108 0.607 5.151 1.106 1.00 0.00 C ATOM 1175 C MET A 108 -0.179 6.259 0.409 1.00 0.00 C ATOM 1176 O MET A 108 0.238 6.768 -0.649 1.00 0.00 O ATOM 1177 CB MET A 108 2.027 5.640 1.422 1.00 0.00 C ATOM 1178 CG MET A 108 2.826 4.711 2.326 1.00 0.00 C ATOM 1179 SD MET A 108 3.264 3.150 1.539 1.00 0.00 S ATOM 1180 CE MET A 108 4.377 2.479 2.773 1.00 0.00 C ATOM 0 H MET A 108 1.367 3.969 -0.446 1.00 0.00 H new ATOM 0 HA MET A 108 0.120 4.892 2.046 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.570 5.771 0.486 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.964 6.620 1.894 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.737 5.219 2.642 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.247 4.506 3.226 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.646 1.458 2.504 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.278 3.091 2.821 1.00 0.00 H new ATOM 0 HE3 MET A 108 3.885 2.480 3.746 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.322 6.618 1.002 1.00 0.00 N ATOM 1191 CA LEU A 109 -2.210 7.633 0.446 1.00 0.00 C ATOM 1192 C LEU A 109 -2.027 8.961 1.177 1.00 0.00 C ATOM 1193 O LEU A 109 -2.485 9.120 2.314 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.692 7.211 0.561 1.00 0.00 C ATOM 1195 CG LEU A 109 -4.141 5.955 -0.217 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.906 6.120 -1.712 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -3.446 4.699 0.305 1.00 0.00 C ATOM 0 H LEU A 109 -1.653 6.212 1.877 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.950 7.745 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.914 7.050 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.306 8.048 0.230 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.212 5.837 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.232 5.220 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.473 6.976 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.844 6.282 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.784 3.833 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.367 4.807 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.690 4.559 1.358 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.336 9.901 0.546 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.344 11.278 1.017 1.00 0.00 C ATOM 1211 C ARG A 110 -2.670 11.903 0.612 1.00 0.00 C ATOM 1212 O ARG A 110 -3.384 12.481 1.430 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.168 12.081 0.440 1.00 0.00 C ATOM 1214 CG ARG A 110 1.144 11.913 1.207 1.00 0.00 C ATOM 1215 CD ARG A 110 1.013 12.370 2.663 1.00 0.00 C ATOM 1216 NE ARG A 110 0.251 13.619 2.783 1.00 0.00 N ATOM 1217 CZ ARG A 110 0.752 14.840 2.567 1.00 0.00 C ATOM 1218 NH1 ARG A 110 2.020 15.001 2.204 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -0.027 15.903 2.703 1.00 0.00 N ATOM 0 H ARG A 110 -0.768 9.737 -0.285 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.231 11.292 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.011 11.780 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.436 13.138 0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.450 10.867 1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.929 12.487 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.523 11.589 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.006 12.509 3.090 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.731 13.551 3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.624 14.188 2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.389 15.938 2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.004 15.788 2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.351 16.836 2.539 1.00 0.00 H new ATOM 1233 N ASP A 111 -2.996 11.748 -0.665 1.00 0.00 N ATOM 1234 CA ASP A 111 -4.296 12.137 -1.188 1.00 0.00 C ATOM 1235 C ASP A 111 -5.126 10.878 -1.407 1.00 0.00 C ATOM 1236 O ASP A 111 -4.825 10.073 -2.290 1.00 0.00 O ATOM 1237 CB ASP A 111 -4.133 12.914 -2.503 1.00 0.00 C ATOM 1238 CG ASP A 111 -3.234 14.133 -2.349 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -3.748 15.227 -2.024 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -2.007 14.004 -2.542 1.00 0.00 O ATOM 0 H ASP A 111 -2.368 11.350 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.802 12.790 -0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.717 12.253 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.113 13.231 -2.858 1.00 0.00 H new ATOM 1245 N GLY A 112 -6.162 10.703 -0.592 1.00 0.00 N ATOM 1246 CA GLY A 112 -6.911 9.455 -0.587 1.00 0.00 C ATOM 1247 C GLY A 112 -8.311 9.593 -1.146 1.00 0.00 C ATOM 1248 O GLY A 112 -9.128 8.680 -1.008 1.00 0.00 O ATOM 0 H GLY A 112 -6.498 11.404 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.367 8.711 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.971 9.080 0.435 1.00 0.00 H new ATOM 1252 N SER A 113 -8.599 10.724 -1.778 1.00 0.00 N ATOM 1253 CA SER A 113 -9.912 10.956 -2.376 1.00 0.00 C ATOM 1254 C SER A 113 -10.224 9.875 -3.418 1.00 0.00 C ATOM 1255 O SER A 113 -11.345 9.370 -3.495 1.00 0.00 O ATOM 1256 CB SER A 113 -9.967 12.350 -3.014 1.00 0.00 C ATOM 1257 OG SER A 113 -11.251 12.625 -3.544 1.00 0.00 O ATOM 0 H SER A 113 -7.942 11.496 -1.891 1.00 0.00 H new ATOM 0 HA SER A 113 -10.666 10.904 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.710 13.103 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.222 12.419 -3.807 1.00 0.00 H new ATOM 0 HG SER A 113 -11.256 13.520 -3.942 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.210 9.503 -4.195 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.366 8.492 -5.241 1.00 0.00 C ATOM 1265 C TYR A 114 -8.900 7.115 -4.765 1.00 0.00 C ATOM 1266 O TYR A 114 -8.620 6.230 -5.576 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.626 8.916 -6.523 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.188 9.369 -6.321 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.895 10.700 -6.026 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.125 8.480 -6.445 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.591 11.125 -5.861 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -4.820 8.901 -6.276 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.557 10.224 -5.986 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.255 10.647 -5.826 1.00 0.00 O ATOM 0 H TYR A 114 -8.268 9.887 -4.121 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.428 8.413 -5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.632 8.078 -7.220 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.183 9.726 -6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.702 11.411 -5.925 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.323 7.444 -6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -5.383 12.160 -5.635 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.007 8.196 -6.371 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.998 10.564 -4.884 1.00 0.00 H new ATOM 1284 N ALA A 115 -8.858 6.922 -3.446 1.00 0.00 N ATOM 1285 CA ALA A 115 -8.486 5.628 -2.872 1.00 0.00 C ATOM 1286 C ALA A 115 -9.500 4.560 -3.267 1.00 0.00 C ATOM 1287 O ALA A 115 -9.141 3.411 -3.540 1.00 0.00 O ATOM 1288 CB ALA A 115 -8.381 5.721 -1.352 1.00 0.00 C ATOM 0 H ALA A 115 -9.076 7.642 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.510 5.347 -3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.104 4.748 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.622 6.456 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.343 6.026 -0.939 1.00 0.00 H new ATOM 1294 N TRP A 116 -10.774 4.949 -3.309 1.00 0.00 N ATOM 1295 CA TRP A 116 -11.846 4.030 -3.682 1.00 0.00 C ATOM 1296 C TRP A 116 -11.776 3.697 -5.170 1.00 0.00 C ATOM 1297 O TRP A 116 -12.278 2.657 -5.606 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.221 4.613 -3.304 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.020 3.688 -2.433 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.281 3.217 -2.659 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.589 3.102 -1.200 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.657 2.376 -1.640 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.636 2.290 -0.734 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.413 3.189 -0.447 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.542 1.566 0.452 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.322 2.474 0.727 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.379 1.669 1.166 1.00 0.00 C ATOM 0 H TRP A 116 -11.088 5.894 -3.089 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.714 3.102 -3.125 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.079 5.562 -2.786 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -13.783 4.827 -4.213 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -15.893 3.468 -3.513 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.553 1.894 -1.570 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.591 3.806 -0.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -15.357 0.946 0.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.420 2.536 1.318 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.275 1.117 2.088 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.142 4.577 -5.940 1.00 0.00 N ATOM 1319 CA GLU A 117 -10.910 4.328 -7.358 1.00 0.00 C ATOM 1320 C GLU A 117 -9.819 3.268 -7.505 1.00 0.00 C ATOM 1321 O GLU A 117 -9.885 2.398 -8.378 1.00 0.00 O ATOM 1322 CB GLU A 117 -10.523 5.631 -8.076 1.00 0.00 C ATOM 1323 CG GLU A 117 -10.349 5.484 -9.585 1.00 0.00 C ATOM 1324 CD GLU A 117 -10.203 6.824 -10.291 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -9.071 7.338 -10.391 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -11.229 7.374 -10.751 1.00 0.00 O ATOM 0 H GLU A 117 -10.780 5.470 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.825 3.960 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.289 6.382 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.593 6.006 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.469 4.873 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.208 4.953 -9.996 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.825 3.337 -6.619 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.788 2.314 -6.542 1.00 0.00 C ATOM 1335 C ILE A 118 -8.397 0.975 -6.160 1.00 0.00 C ATOM 1336 O ILE A 118 -8.117 -0.037 -6.797 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.664 2.701 -5.541 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.680 3.648 -6.229 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -5.935 1.468 -4.998 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.588 4.180 -5.322 1.00 0.00 C ATOM 0 H ILE A 118 -8.718 4.094 -5.944 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.333 2.233 -7.529 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.121 3.202 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.218 3.127 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -6.234 4.490 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.157 1.782 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.646 0.823 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.483 0.920 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.935 4.843 -5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -5.037 4.732 -4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.006 3.348 -4.927 1.00 0.00 H new ATOM 1352 N LYS A 119 -9.237 0.974 -5.129 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.926 -0.244 -4.718 1.00 0.00 C ATOM 1354 C LYS A 119 -10.737 -0.801 -5.884 1.00 0.00 C ATOM 1355 O LYS A 119 -10.747 -2.008 -6.127 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.850 0.017 -3.521 1.00 0.00 C ATOM 1357 CG LYS A 119 -11.600 -1.232 -3.061 1.00 0.00 C ATOM 1358 CD LYS A 119 -12.640 -0.924 -1.990 1.00 0.00 C ATOM 1359 CE LYS A 119 -13.443 -2.165 -1.616 1.00 0.00 C ATOM 1360 NZ LYS A 119 -14.554 -1.845 -0.685 1.00 0.00 N ATOM 0 H LYS A 119 -9.456 1.797 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.174 -0.972 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -10.259 0.405 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.571 0.789 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -12.091 -1.694 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.886 -1.958 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.144 -0.529 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.315 -0.148 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.847 -2.622 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.783 -2.899 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.486 -2.451 0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.491 -0.847 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.464 -2.013 -1.160 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.399 0.100 -6.611 1.00 0.00 N ATOM 1375 CA ASP A 120 -12.201 -0.279 -7.773 1.00 0.00 C ATOM 1376 C ASP A 120 -11.336 -1.000 -8.802 1.00 0.00 C ATOM 1377 O ASP A 120 -11.726 -2.041 -9.337 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.857 0.953 -8.410 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.772 0.588 -9.571 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.942 0.230 -9.320 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.336 0.663 -10.736 1.00 0.00 O ATOM 0 H ASP A 120 -11.395 1.101 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.988 -0.953 -7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.431 1.488 -7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.081 1.633 -8.762 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.148 -0.453 -9.059 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.201 -1.073 -9.979 1.00 0.00 C ATOM 1388 C PHE A 121 -8.747 -2.429 -9.437 1.00 0.00 C ATOM 1389 O PHE A 121 -8.773 -3.433 -10.150 1.00 0.00 O ATOM 1390 CB PHE A 121 -7.988 -0.157 -10.202 1.00 0.00 C ATOM 1391 CG PHE A 121 -6.899 -0.789 -11.038 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -6.941 -0.731 -12.425 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.838 -1.449 -10.433 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -5.948 -1.318 -13.189 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.844 -2.036 -11.191 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.899 -1.971 -12.570 1.00 0.00 C ATOM 0 H PHE A 121 -9.821 0.418 -8.642 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.699 -1.226 -10.936 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.320 0.761 -10.687 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.574 0.126 -9.234 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.759 -0.222 -12.913 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.789 -1.504 -9.356 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -5.993 -1.266 -14.267 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.024 -2.545 -10.706 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.123 -2.430 -13.164 1.00 0.00 H new ATOM 1406 N LEU A 122 -8.321 -2.440 -8.174 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.906 -3.674 -7.500 1.00 0.00 C ATOM 1408 C LEU A 122 -8.946 -4.793 -7.660 1.00 0.00 C ATOM 1409 O LEU A 122 -8.589 -5.940 -7.930 1.00 0.00 O ATOM 1410 CB LEU A 122 -7.648 -3.412 -6.009 1.00 0.00 C ATOM 1411 CG LEU A 122 -6.497 -2.438 -5.699 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -6.413 -2.161 -4.201 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -5.167 -2.981 -6.226 1.00 0.00 C ATOM 0 H LEU A 122 -8.253 -1.604 -7.593 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.982 -4.005 -7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.562 -3.021 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -7.437 -4.364 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.703 -1.497 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.593 -1.470 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.349 -1.719 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.237 -3.095 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.369 -2.275 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.952 -3.939 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.231 -3.116 -7.306 1.00 0.00 H new ATOM 1425 N VAL A 123 -10.227 -4.460 -7.494 1.00 0.00 N ATOM 1426 CA VAL A 123 -11.296 -5.457 -7.619 1.00 0.00 C ATOM 1427 C VAL A 123 -11.714 -5.634 -9.081 1.00 0.00 C ATOM 1428 O VAL A 123 -12.395 -6.600 -9.434 1.00 0.00 O ATOM 1429 CB VAL A 123 -12.533 -5.103 -6.750 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -12.142 -4.993 -5.276 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -13.200 -3.819 -7.235 1.00 0.00 C ATOM 0 H VAL A 123 -10.549 -3.517 -7.275 1.00 0.00 H new ATOM 0 HA VAL A 123 -10.890 -6.399 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 123 -13.258 -5.910 -6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -13.023 -4.744 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -11.733 -5.944 -4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -11.391 -4.212 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -14.063 -3.597 -6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -12.488 -2.995 -7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -13.526 -3.946 -8.267 1.00 0.00 H new ATOM 1441 N SER A 124 -11.294 -4.695 -9.931 1.00 0.00 N ATOM 1442 CA SER A 124 -11.494 -4.801 -11.377 1.00 0.00 C ATOM 1443 C SER A 124 -10.431 -5.723 -11.991 1.00 0.00 C ATOM 1444 O SER A 124 -10.399 -5.936 -13.208 1.00 0.00 O ATOM 1445 CB SER A 124 -11.444 -3.408 -12.026 1.00 0.00 C ATOM 1446 OG SER A 124 -11.800 -3.460 -13.397 1.00 0.00 O ATOM 0 H SER A 124 -10.809 -3.846 -9.639 1.00 0.00 H new ATOM 0 HA SER A 124 -12.477 -5.232 -11.566 1.00 0.00 H new ATOM 0 HB2 SER A 124 -12.121 -2.735 -11.499 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.441 -2.994 -11.925 1.00 0.00 H new ATOM 0 HG SER A 124 -11.378 -4.239 -13.815 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.564 -6.261 -11.133 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.503 -7.168 -11.561 1.00 0.00 C ATOM 1454 C GLN A 125 -9.075 -8.527 -11.965 1.00 0.00 C ATOM 1455 O GLN A 125 -10.228 -8.846 -11.665 1.00 0.00 O ATOM 1456 CB GLN A 125 -7.440 -7.365 -10.468 1.00 0.00 C ATOM 1457 CG GLN A 125 -6.377 -6.270 -10.406 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.193 -6.679 -9.545 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.885 -7.866 -9.421 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -4.499 -5.713 -8.966 1.00 0.00 N ATOM 0 H GLN A 125 -9.578 -6.081 -10.129 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.025 -6.706 -12.425 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.939 -7.423 -9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.946 -8.323 -10.629 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.031 -6.042 -11.414 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -6.819 -5.357 -10.006 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.780 -4.740 -9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -3.683 -5.941 -8.398 1.00 0.00 H new ATOM 1469 N ASP A 126 -8.247 -9.305 -12.652 1.00 0.00 N ATOM 1470 CA ASP A 126 -8.635 -10.632 -13.130 1.00 0.00 C ATOM 1471 C ASP A 126 -9.154 -11.489 -11.977 1.00 0.00 C ATOM 1472 O ASP A 126 -10.332 -11.854 -11.944 1.00 0.00 O ATOM 1473 CB ASP A 126 -7.451 -11.333 -13.816 1.00 0.00 C ATOM 1474 CG ASP A 126 -7.109 -10.716 -15.164 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -6.285 -9.775 -15.204 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -7.669 -11.168 -16.189 1.00 0.00 O ATOM 0 H ASP A 126 -7.293 -9.038 -12.894 1.00 0.00 H new ATOM 0 HA ASP A 126 -9.434 -10.506 -13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.578 -11.284 -13.166 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -7.688 -12.388 -13.953 1.00 0.00 H new ATOM 1481 N ARG A 127 -8.274 -11.798 -11.027 1.00 0.00 N ATOM 1482 CA ARG A 127 -8.642 -12.616 -9.869 1.00 0.00 C ATOM 1483 C ARG A 127 -8.879 -11.745 -8.634 1.00 0.00 C ATOM 1484 O ARG A 127 -9.459 -12.204 -7.649 1.00 0.00 O ATOM 1485 CB ARG A 127 -7.547 -13.653 -9.583 1.00 0.00 C ATOM 1486 CG ARG A 127 -7.213 -14.536 -10.784 1.00 0.00 C ATOM 1487 CD ARG A 127 -6.154 -15.583 -10.449 1.00 0.00 C ATOM 1488 NE ARG A 127 -5.708 -16.309 -11.640 1.00 0.00 N ATOM 1489 CZ ARG A 127 -4.721 -17.210 -11.649 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -4.156 -17.597 -10.511 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -4.329 -17.752 -12.795 1.00 0.00 N ATOM 0 H ARG A 127 -7.300 -11.495 -11.035 1.00 0.00 H new ATOM 0 HA ARG A 127 -9.572 -13.135 -10.102 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.643 -13.136 -9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.865 -14.286 -8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -8.118 -15.034 -11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -6.859 -13.912 -11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.299 -15.097 -9.979 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.558 -16.289 -9.724 1.00 0.00 H new ATOM 0 HE ARG A 127 -6.182 -16.114 -12.522 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -4.475 -17.206 -9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -3.403 -18.285 -10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -4.781 -17.481 -13.668 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -3.576 -18.440 -12.803 1.00 0.00 H new ATOM 1505 N CYS A 128 -8.418 -10.492 -8.703 1.00 0.00 N ATOM 1506 CA CYS A 128 -8.574 -9.520 -7.614 1.00 0.00 C ATOM 1507 C CYS A 128 -7.682 -9.879 -6.420 1.00 0.00 C ATOM 1508 O CYS A 128 -7.073 -10.951 -6.383 1.00 0.00 O ATOM 1509 CB CYS A 128 -10.045 -9.406 -7.177 1.00 0.00 C ATOM 1510 SG CYS A 128 -10.344 -8.177 -5.884 1.00 0.00 S ATOM 0 H CYS A 128 -7.926 -10.122 -9.516 1.00 0.00 H new ATOM 0 HA CYS A 128 -8.257 -8.548 -7.993 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -10.652 -9.156 -8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -10.383 -10.380 -6.822 1.00 0.00 H new ATOM 0 HG CYS A 128 -11.610 -8.157 -5.589 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.588 -8.960 -5.460 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.775 -9.160 -4.260 1.00 0.00 C ATOM 1518 C ALA A 129 -7.534 -8.709 -3.010 1.00 0.00 C ATOM 1519 O ALA A 129 -8.603 -8.102 -3.113 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.459 -8.401 -4.393 1.00 0.00 C ATOM 0 H ALA A 129 -8.070 -8.061 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.559 -10.223 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.858 -8.554 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.913 -8.768 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -5.663 -7.337 -4.516 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.974 -9.007 -1.837 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.597 -8.639 -0.567 1.00 0.00 C ATOM 1528 C GLU A 130 -7.236 -7.202 -0.187 1.00 0.00 C ATOM 1529 O GLU A 130 -6.068 -6.891 0.068 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.154 -9.594 0.553 1.00 0.00 C ATOM 1531 CG GLU A 130 -7.453 -11.064 0.277 1.00 0.00 C ATOM 1532 CD GLU A 130 -7.127 -11.952 1.469 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -5.935 -12.107 1.798 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -8.068 -12.487 2.101 1.00 0.00 O ATOM 0 H GLU A 130 -6.088 -9.503 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.677 -8.714 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.082 -9.477 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.648 -9.302 1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.506 -11.176 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.877 -11.394 -0.588 1.00 0.00 H new ATOM 1541 N VAL A 131 -8.240 -6.333 -0.150 1.00 0.00 N ATOM 1542 CA VAL A 131 -8.043 -4.935 0.216 1.00 0.00 C ATOM 1543 C VAL A 131 -8.151 -4.762 1.734 1.00 0.00 C ATOM 1544 O VAL A 131 -9.071 -5.289 2.365 1.00 0.00 O ATOM 1545 CB VAL A 131 -9.082 -4.019 -0.484 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -8.846 -2.550 -0.131 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -9.051 -4.228 -1.999 1.00 0.00 C ATOM 0 H VAL A 131 -9.206 -6.575 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 131 -7.046 -4.644 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 131 -10.073 -4.293 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -9.588 -1.931 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.934 -2.416 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -7.848 -2.254 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -9.787 -3.577 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -8.058 -3.989 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.287 -5.267 -2.228 1.00 0.00 H new ATOM 1557 N THR A 132 -7.197 -4.041 2.318 1.00 0.00 N ATOM 1558 CA THR A 132 -7.189 -3.766 3.752 1.00 0.00 C ATOM 1559 C THR A 132 -6.953 -2.274 3.984 1.00 0.00 C ATOM 1560 O THR A 132 -6.125 -1.664 3.302 1.00 0.00 O ATOM 1561 CB THR A 132 -6.080 -4.577 4.459 1.00 0.00 C ATOM 1562 OG1 THR A 132 -6.115 -5.943 4.005 1.00 0.00 O ATOM 1563 CG2 THR A 132 -6.242 -4.537 5.975 1.00 0.00 C ATOM 0 H THR A 132 -6.411 -3.632 1.813 1.00 0.00 H new ATOM 0 HA THR A 132 -8.154 -4.059 4.167 1.00 0.00 H new ATOM 0 HB THR A 132 -5.119 -4.127 4.209 1.00 0.00 H new ATOM 0 HG1 THR A 132 -6.430 -6.521 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 132 -5.446 -5.117 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 132 -6.188 -3.504 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.208 -4.961 6.249 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.680 -1.682 4.927 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.568 -0.255 5.215 1.00 0.00 C ATOM 1573 C LEU A 133 -7.191 -0.061 6.679 1.00 0.00 C ATOM 1574 O LEU A 133 -7.993 -0.361 7.567 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.908 0.448 4.946 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.561 0.148 3.587 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.935 0.801 3.499 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.672 0.612 2.439 1.00 0.00 C ATOM 0 H LEU A 133 -8.358 -2.173 5.509 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.801 0.175 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.608 0.168 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.754 1.524 5.024 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.685 -0.932 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.382 0.578 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -11.574 0.412 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.833 1.880 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.158 0.388 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.507 1.687 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.714 0.094 2.488 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.983 0.424 6.942 1.00 0.00 N ATOM 1591 CA GLU A 134 -5.552 0.646 8.321 1.00 0.00 C ATOM 1592 C GLU A 134 -5.848 2.080 8.746 1.00 0.00 C ATOM 1593 O GLU A 134 -5.629 3.023 7.981 1.00 0.00 O ATOM 1594 CB GLU A 134 -4.061 0.326 8.485 1.00 0.00 C ATOM 1595 CG GLU A 134 -3.723 -1.146 8.264 1.00 0.00 C ATOM 1596 CD GLU A 134 -4.458 -2.075 9.220 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -4.019 -2.215 10.381 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -5.478 -2.674 8.814 1.00 0.00 O ATOM 0 H GLU A 134 -5.292 0.668 6.232 1.00 0.00 H new ATOM 0 HA GLU A 134 -6.113 -0.028 8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.489 0.931 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.744 0.616 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.970 -1.420 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.649 -1.288 8.382 1.00 0.00 H new ATOM 1605 N GLY A 135 -6.372 2.231 9.958 1.00 0.00 N ATOM 1606 CA GLY A 135 -6.733 3.539 10.476 1.00 0.00 C ATOM 1607 C GLY A 135 -8.225 3.647 10.730 1.00 0.00 C ATOM 1608 O GLY A 135 -8.656 3.870 11.866 1.00 0.00 O ATOM 0 H GLY A 135 -6.555 1.459 10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.191 3.726 11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -6.427 4.309 9.767 1.00 0.00 H new ATOM 1612 N GLN A 136 -9.007 3.471 9.666 1.00 0.00 N ATOM 1613 CA GLN A 136 -10.466 3.515 9.747 1.00 0.00 C ATOM 1614 C GLN A 136 -11.080 3.046 8.426 1.00 0.00 C ATOM 1615 O GLN A 136 -10.638 3.454 7.351 1.00 0.00 O ATOM 1616 CB GLN A 136 -10.954 4.939 10.068 1.00 0.00 C ATOM 1617 CG GLN A 136 -12.468 5.054 10.219 1.00 0.00 C ATOM 1618 CD GLN A 136 -12.935 6.487 10.416 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -13.220 7.196 9.453 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -13.019 6.924 11.666 1.00 0.00 N ATOM 0 H GLN A 136 -8.649 3.295 8.727 1.00 0.00 H new ATOM 0 HA GLN A 136 -10.782 2.849 10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -10.480 5.276 10.990 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -10.625 5.612 9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -12.949 4.639 9.333 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -12.790 4.452 11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.774 6.306 12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -13.329 7.878 11.853 1.00 0.00 H new ATOM 1629 N MET A 137 -12.084 2.177 8.509 1.00 0.00 N ATOM 1630 CA MET A 137 -12.809 1.718 7.326 1.00 0.00 C ATOM 1631 C MET A 137 -14.186 2.376 7.272 1.00 0.00 C ATOM 1632 O MET A 137 -15.030 2.134 8.137 1.00 0.00 O ATOM 1633 CB MET A 137 -12.957 0.190 7.322 1.00 0.00 C ATOM 1634 CG MET A 137 -11.635 -0.564 7.294 1.00 0.00 C ATOM 1635 SD MET A 137 -11.858 -2.332 6.997 1.00 0.00 S ATOM 1636 CE MET A 137 -12.580 -2.314 5.353 1.00 0.00 C ATOM 0 H MET A 137 -12.415 1.775 9.386 1.00 0.00 H new ATOM 0 HA MET A 137 -12.235 2.004 6.444 1.00 0.00 H new ATOM 0 HB2 MET A 137 -13.516 -0.112 8.208 1.00 0.00 H new ATOM 0 HB3 MET A 137 -13.549 -0.104 6.455 1.00 0.00 H new ATOM 0 HG2 MET A 137 -10.997 -0.145 6.516 1.00 0.00 H new ATOM 0 HG3 MET A 137 -11.117 -0.420 8.242 1.00 0.00 H new ATOM 0 HE1 MET A 137 -12.612 -3.330 4.958 1.00 0.00 H new ATOM 0 HE2 MET A 137 -13.592 -1.913 5.405 1.00 0.00 H new ATOM 0 HE3 MET A 137 -11.975 -1.688 4.697 1.00 0.00 H new ATOM 1646 N TYR A 138 -14.397 3.211 6.256 1.00 0.00 N ATOM 1647 CA TYR A 138 -15.654 3.944 6.090 1.00 0.00 C ATOM 1648 C TYR A 138 -16.858 2.998 5.914 1.00 0.00 C ATOM 1649 O TYR A 138 -17.841 3.120 6.644 1.00 0.00 O ATOM 1650 CB TYR A 138 -15.562 4.911 4.898 1.00 0.00 C ATOM 1651 CG TYR A 138 -14.424 5.914 5.003 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -14.578 7.099 5.717 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -13.199 5.676 4.387 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -13.547 8.015 5.812 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -12.164 6.586 4.479 1.00 0.00 C ATOM 1656 CZ TYR A 138 -12.343 7.754 5.191 1.00 0.00 C ATOM 1657 OH TYR A 138 -11.311 8.663 5.281 1.00 0.00 O ATOM 0 H TYR A 138 -13.707 3.399 5.528 1.00 0.00 H new ATOM 0 HA TYR A 138 -15.815 4.516 7.004 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -15.440 4.332 3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -16.504 5.453 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -15.519 7.306 6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -13.055 4.764 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -13.683 8.930 6.369 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.219 6.384 3.996 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.534 8.325 4.789 1.00 0.00 H new ATOM 1667 N PRO A 139 -16.805 2.033 4.956 1.00 0.00 N ATOM 1668 CA PRO A 139 -17.948 1.148 4.668 1.00 0.00 C ATOM 1669 C PRO A 139 -18.401 0.365 5.901 1.00 0.00 C ATOM 1670 O PRO A 139 -17.616 -0.369 6.506 1.00 0.00 O ATOM 1671 CB PRO A 139 -17.417 0.196 3.577 1.00 0.00 C ATOM 1672 CG PRO A 139 -15.932 0.292 3.672 1.00 0.00 C ATOM 1673 CD PRO A 139 -15.648 1.707 4.096 1.00 0.00 C ATOM 0 HA PRO A 139 -18.826 1.712 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -17.758 -0.826 3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -17.769 0.492 2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -15.538 -0.421 4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -15.462 0.067 2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -14.706 1.785 4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -15.579 2.379 3.240 1.00 0.00 H new ATOM 1681 N GLY A 140 -19.664 0.542 6.278 1.00 0.00 N ATOM 1682 CA GLY A 140 -20.215 -0.157 7.429 1.00 0.00 C ATOM 1683 C GLY A 140 -20.235 0.711 8.674 1.00 0.00 C ATOM 1684 O GLY A 140 -21.003 0.457 9.606 1.00 0.00 O ATOM 0 H GLY A 140 -20.321 1.162 5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -21.229 -0.485 7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -19.626 -1.053 7.623 1.00 0.00 H new ATOM 1688 N LYS A 141 -19.398 1.744 8.688 1.00 0.00 N ATOM 1689 CA LYS A 141 -19.308 2.661 9.826 1.00 0.00 C ATOM 1690 C LYS A 141 -19.693 4.076 9.406 1.00 0.00 C ATOM 1691 O LYS A 141 -20.378 4.272 8.399 1.00 0.00 O ATOM 1692 CB LYS A 141 -17.887 2.654 10.413 1.00 0.00 C ATOM 1693 CG LYS A 141 -17.456 1.297 10.967 1.00 0.00 C ATOM 1694 CD LYS A 141 -16.044 1.343 11.552 1.00 0.00 C ATOM 1695 CE LYS A 141 -15.620 -0.010 12.111 1.00 0.00 C ATOM 1696 NZ LYS A 141 -14.258 0.033 12.706 1.00 0.00 N ATOM 0 H LYS A 141 -18.767 1.970 7.919 1.00 0.00 H new ATOM 0 HA LYS A 141 -20.005 2.322 10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -17.183 2.961 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -17.829 3.396 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -18.158 0.980 11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -17.496 0.551 10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -15.340 1.654 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -16.002 2.092 12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -16.336 -0.330 12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -15.644 -0.754 11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -14.010 -0.908 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -13.570 0.313 11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -14.240 0.724 13.483 1.00 0.00 H new TER 1710 LYS A 141