USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 569 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 54 ASN : amide:sc= -2.85! C(o=-2.8!,f=-2.7!) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0.00514 USER MOD Set 2.1: A 34 SER OG : rot 139:sc= 0.855! USER MOD Set 2.2: A 41 TYR OH : rot -26:sc= -2.39! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0321 (180deg=-0.275) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 126:sc= 0.927 USER MOD Single : A 11 ASN : amide:sc= -0.043 X(o=-0.043,f=-0.41) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -3:sc= 0.823! USER MOD Single : A 17 TYR OH : rot -90:sc= 0.892 USER MOD Single : A 18 HIS : no HD1:sc= -2.44! K(o=-2.4!,f=-1.7) USER MOD Single : A 19 TYR OH : rot 91:sc= -2.19 USER MOD Single : A 23 SER OG : rot 120:sc= -3.04! USER MOD Single : A 28 LYS NZ :NH3+ 146:sc=-0.00654 (180deg=-1.23) USER MOD Single : A 32 LYS NZ :NH3+ -138:sc= -2.04 (180deg=-4.85!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -1 K(o=-1,f=-3.1!) USER MOD Single : A 39 ASN : amide:sc= -11.2! C(o=-11!,f=-13!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.16) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 50 THR OG1 : rot -16:sc= 0.309 USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= 0.0846 (180deg=-0.578) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0715 K(o=-0.072,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 66:sc= 0.0867 USER MOD Single : A 68 TYR OH : rot -173:sc= -4.6! USER MOD Single : A 72 MET CE :methyl -171:sc= -0.81 (180deg=-0.828) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.263 -17.491 -22.954 1.00 0.00 N ATOM 2 CA MET A 1 -5.806 -18.297 -21.835 1.00 0.00 C ATOM 3 C MET A 1 -5.254 -17.790 -20.510 1.00 0.00 C ATOM 4 O MET A 1 -4.124 -18.065 -20.160 1.00 0.00 O ATOM 5 CB MET A 1 -5.398 -19.771 -22.005 1.00 0.00 C ATOM 6 CG MET A 1 -6.211 -20.388 -23.145 1.00 0.00 C ATOM 7 SD MET A 1 -7.993 -20.577 -22.889 1.00 0.00 S ATOM 8 CE MET A 1 -8.291 -21.757 -24.229 1.00 0.00 C ATOM 0 H1 MET A 1 -5.854 -17.627 -23.799 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.263 -16.485 -22.689 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.290 -17.795 -23.160 1.00 0.00 H new ATOM 0 HA MET A 1 -6.892 -18.208 -21.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.332 -19.843 -22.221 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.573 -20.319 -21.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.061 -19.777 -24.035 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.795 -21.372 -23.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.349 -22.018 -24.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.004 -21.308 -25.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.700 -22.657 -24.059 1.00 0.00 H new ATOM 20 N LYS A 2 -6.065 -17.056 -19.791 1.00 0.00 N ATOM 21 CA LYS A 2 -5.608 -16.517 -18.480 1.00 0.00 C ATOM 22 C LYS A 2 -6.793 -16.282 -17.553 1.00 0.00 C ATOM 23 O LYS A 2 -6.956 -15.208 -17.007 1.00 0.00 O ATOM 24 CB LYS A 2 -4.895 -15.172 -18.723 1.00 0.00 C ATOM 25 CG LYS A 2 -3.525 -15.428 -19.363 1.00 0.00 C ATOM 26 CD LYS A 2 -2.696 -14.141 -19.311 1.00 0.00 C ATOM 27 CE LYS A 2 -1.283 -14.434 -19.820 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.388 -13.268 -19.576 1.00 0.00 N ATOM 0 H LYS A 2 -7.019 -16.809 -20.056 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.934 -17.237 -18.015 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.500 -14.540 -19.373 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.774 -14.637 -17.781 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.008 -16.229 -18.835 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.648 -15.754 -20.396 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.163 -13.368 -19.922 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.657 -13.760 -18.290 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.885 -15.316 -19.319 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.314 -14.660 -20.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.567 -13.484 -19.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.760 -12.434 -20.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.345 -13.071 -18.556 1.00 0.00 H new ATOM 42 N GLU A 3 -7.603 -17.293 -17.391 1.00 0.00 N ATOM 43 CA GLU A 3 -8.784 -17.148 -16.504 1.00 0.00 C ATOM 44 C GLU A 3 -8.373 -16.545 -15.165 1.00 0.00 C ATOM 45 O GLU A 3 -7.205 -16.331 -14.918 1.00 0.00 O ATOM 46 CB GLU A 3 -9.381 -18.554 -16.269 1.00 0.00 C ATOM 47 CG GLU A 3 -10.755 -18.432 -15.582 1.00 0.00 C ATOM 48 CD GLU A 3 -11.555 -19.720 -15.803 1.00 0.00 C ATOM 49 OE1 GLU A 3 -10.906 -20.745 -15.928 1.00 0.00 O ATOM 50 OE2 GLU A 3 -12.769 -19.604 -15.832 1.00 0.00 O ATOM 0 H GLU A 3 -7.496 -18.206 -17.833 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.516 -16.488 -16.970 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.485 -19.078 -17.219 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.707 -19.146 -15.650 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.625 -18.251 -14.515 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.301 -17.579 -15.986 1.00 0.00 H new ATOM 57 N THR A 4 -9.347 -16.274 -14.333 1.00 0.00 N ATOM 58 CA THR A 4 -9.049 -15.682 -12.995 1.00 0.00 C ATOM 59 C THR A 4 -8.305 -14.367 -13.120 1.00 0.00 C ATOM 60 O THR A 4 -7.263 -14.301 -13.726 1.00 0.00 O ATOM 61 CB THR A 4 -8.152 -16.656 -12.194 1.00 0.00 C ATOM 62 OG1 THR A 4 -8.870 -17.871 -12.138 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.030 -16.211 -10.724 1.00 0.00 C ATOM 0 H THR A 4 -10.336 -16.437 -14.523 1.00 0.00 H new ATOM 0 HA THR A 4 -10.000 -15.509 -12.492 1.00 0.00 H new ATOM 0 HB THR A 4 -7.168 -16.713 -12.659 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.350 -18.536 -11.640 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.395 -16.912 -10.183 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.590 -15.215 -10.681 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.019 -16.191 -10.267 1.00 0.00 H new ATOM 71 N ARG A 5 -8.870 -13.323 -12.569 1.00 0.00 N ATOM 72 CA ARG A 5 -8.186 -12.003 -12.648 1.00 0.00 C ATOM 73 C ARG A 5 -7.325 -11.868 -11.430 1.00 0.00 C ATOM 74 O ARG A 5 -7.302 -12.748 -10.593 1.00 0.00 O ATOM 75 CB ARG A 5 -9.221 -10.864 -12.668 1.00 0.00 C ATOM 76 CG ARG A 5 -10.284 -11.150 -13.757 1.00 0.00 C ATOM 77 CD ARG A 5 -11.300 -12.230 -13.280 1.00 0.00 C ATOM 78 NE ARG A 5 -11.032 -13.495 -14.021 1.00 0.00 N ATOM 79 CZ ARG A 5 -11.268 -13.549 -15.303 1.00 0.00 C ATOM 80 NH1 ARG A 5 -12.503 -13.646 -15.713 1.00 0.00 N ATOM 81 NH2 ARG A 5 -10.261 -13.502 -16.132 1.00 0.00 N ATOM 0 H ARG A 5 -9.762 -13.328 -12.075 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.591 -11.943 -13.559 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.699 -10.776 -11.692 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.727 -9.913 -12.868 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.815 -10.230 -14.002 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.792 -11.487 -14.670 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.203 -12.393 -12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.321 -11.895 -13.461 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.667 -14.311 -13.530 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.264 -13.678 -15.035 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.707 -13.689 -16.711 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.309 -13.424 -15.774 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.426 -13.543 -17.138 1.00 0.00 H new ATOM 95 N TYR A 6 -6.632 -10.789 -11.324 1.00 0.00 N ATOM 96 CA TYR A 6 -5.755 -10.611 -10.132 1.00 0.00 C ATOM 97 C TYR A 6 -5.612 -9.137 -9.768 1.00 0.00 C ATOM 98 O TYR A 6 -6.119 -8.272 -10.454 1.00 0.00 O ATOM 99 CB TYR A 6 -4.375 -11.202 -10.481 1.00 0.00 C ATOM 100 CG TYR A 6 -4.574 -12.499 -11.300 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.862 -13.699 -10.668 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.475 -12.484 -12.677 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.043 -14.852 -11.400 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.652 -13.644 -13.405 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.937 -14.836 -12.770 1.00 0.00 C ATOM 106 OH TYR A 6 -5.115 -15.993 -13.500 1.00 0.00 O ATOM 0 H TYR A 6 -6.626 -10.023 -11.997 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.193 -11.118 -9.272 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.791 -10.481 -11.053 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.815 -11.414 -9.570 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.945 -13.730 -9.592 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.257 -11.558 -13.189 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.270 -15.778 -10.892 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.567 -13.618 -14.481 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.797 -15.844 -14.187 1.00 0.00 H new ATOM 116 N CYS A 7 -4.923 -8.880 -8.692 1.00 0.00 N ATOM 117 CA CYS A 7 -4.739 -7.478 -8.265 1.00 0.00 C ATOM 118 C CYS A 7 -4.112 -6.631 -9.344 1.00 0.00 C ATOM 119 O CYS A 7 -3.246 -7.071 -10.074 1.00 0.00 O ATOM 120 CB CYS A 7 -3.855 -7.434 -7.019 1.00 0.00 C ATOM 121 SG CYS A 7 -3.747 -5.850 -6.164 1.00 0.00 S ATOM 0 H CYS A 7 -4.483 -9.581 -8.096 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.727 -7.070 -8.050 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.223 -8.178 -6.313 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.848 -7.737 -7.305 1.00 0.00 H new ATOM 126 N ALA A 8 -4.569 -5.411 -9.420 1.00 0.00 N ATOM 127 CA ALA A 8 -4.037 -4.479 -10.440 1.00 0.00 C ATOM 128 C ALA A 8 -2.837 -3.693 -9.894 1.00 0.00 C ATOM 129 O ALA A 8 -2.143 -3.029 -10.637 1.00 0.00 O ATOM 130 CB ALA A 8 -5.155 -3.483 -10.784 1.00 0.00 C ATOM 0 H ALA A 8 -5.292 -5.023 -8.814 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.712 -5.044 -11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.797 -2.779 -11.535 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.017 -4.024 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.446 -2.938 -9.886 1.00 0.00 H new ATOM 136 N VAL A 9 -2.619 -3.779 -8.594 1.00 0.00 N ATOM 137 CA VAL A 9 -1.464 -3.037 -7.979 1.00 0.00 C ATOM 138 C VAL A 9 -0.288 -3.940 -7.656 1.00 0.00 C ATOM 139 O VAL A 9 0.744 -3.893 -8.298 1.00 0.00 O ATOM 140 CB VAL A 9 -1.927 -2.431 -6.629 1.00 0.00 C ATOM 141 CG1 VAL A 9 -0.734 -1.698 -5.961 1.00 0.00 C ATOM 142 CG2 VAL A 9 -3.068 -1.450 -6.870 1.00 0.00 C ATOM 0 H VAL A 9 -3.184 -4.324 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.150 -2.287 -8.705 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.277 -3.227 -5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.055 -1.270 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.076 -2.406 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.383 -0.902 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.391 -1.026 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.727 -0.650 -7.527 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.904 -1.971 -7.337 1.00 0.00 H new ATOM 152 N CYS A 10 -0.478 -4.748 -6.656 1.00 0.00 N ATOM 153 CA CYS A 10 0.602 -5.684 -6.225 1.00 0.00 C ATOM 154 C CYS A 10 0.587 -7.015 -6.984 1.00 0.00 C ATOM 155 O CYS A 10 1.561 -7.736 -6.962 1.00 0.00 O ATOM 156 CB CYS A 10 0.399 -5.931 -4.719 1.00 0.00 C ATOM 157 SG CYS A 10 -0.814 -7.188 -4.226 1.00 0.00 S ATOM 0 H CYS A 10 -1.339 -4.804 -6.112 1.00 0.00 H new ATOM 0 HA CYS A 10 1.571 -5.234 -6.442 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.363 -6.209 -4.292 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.108 -4.986 -4.260 1.00 0.00 H new ATOM 162 N ASN A 11 -0.512 -7.323 -7.632 1.00 0.00 N ATOM 163 CA ASN A 11 -0.595 -8.608 -8.399 1.00 0.00 C ATOM 164 C ASN A 11 -0.849 -9.795 -7.473 1.00 0.00 C ATOM 165 O ASN A 11 0.066 -10.452 -7.018 1.00 0.00 O ATOM 166 CB ASN A 11 0.738 -8.830 -9.183 1.00 0.00 C ATOM 167 CG ASN A 11 0.454 -9.608 -10.474 1.00 0.00 C ATOM 168 OD1 ASN A 11 -0.446 -9.283 -11.222 1.00 0.00 O ATOM 169 ND2 ASN A 11 1.199 -10.639 -10.768 1.00 0.00 N ATOM 0 H ASN A 11 -1.351 -6.744 -7.663 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.432 -8.538 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.197 -7.870 -9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.448 -9.379 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.024 -11.168 -11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.956 -10.916 -10.143 1.00 0.00 H new ATOM 176 N ASP A 12 -2.094 -10.035 -7.216 1.00 0.00 N ATOM 177 CA ASP A 12 -2.464 -11.165 -6.330 1.00 0.00 C ATOM 178 C ASP A 12 -3.938 -11.494 -6.539 1.00 0.00 C ATOM 179 O ASP A 12 -4.725 -10.621 -6.824 1.00 0.00 O ATOM 180 CB ASP A 12 -2.228 -10.733 -4.846 1.00 0.00 C ATOM 181 CG ASP A 12 -0.950 -11.392 -4.303 1.00 0.00 C ATOM 182 OD1 ASP A 12 -0.973 -12.605 -4.187 1.00 0.00 O ATOM 183 OD2 ASP A 12 -0.026 -10.640 -4.035 1.00 0.00 O ATOM 0 H ASP A 12 -2.878 -9.496 -7.582 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.860 -12.043 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.142 -9.648 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.083 -11.021 -4.235 1.00 0.00 H new ATOM 188 N TYR A 13 -4.292 -12.736 -6.377 1.00 0.00 N ATOM 189 CA TYR A 13 -5.724 -13.105 -6.573 1.00 0.00 C ATOM 190 C TYR A 13 -6.630 -12.106 -5.880 1.00 0.00 C ATOM 191 O TYR A 13 -6.628 -11.988 -4.671 1.00 0.00 O ATOM 192 CB TYR A 13 -5.971 -14.493 -5.982 1.00 0.00 C ATOM 193 CG TYR A 13 -5.143 -15.540 -6.740 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.626 -16.122 -7.902 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.918 -15.949 -6.251 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.900 -17.098 -8.550 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.192 -16.924 -6.904 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.676 -17.507 -8.058 1.00 0.00 C ATOM 199 OH TYR A 13 -2.946 -18.479 -8.712 1.00 0.00 O ATOM 0 H TYR A 13 -3.667 -13.501 -6.122 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.944 -13.103 -7.641 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.703 -14.501 -4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.031 -14.741 -6.044 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.579 -15.808 -8.303 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.525 -15.502 -5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.292 -17.547 -9.451 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.236 -17.234 -6.509 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.110 -18.642 -8.227 1.00 0.00 H new ATOM 209 N ALA A 14 -7.389 -11.403 -6.663 1.00 0.00 N ATOM 210 CA ALA A 14 -8.302 -10.406 -6.083 1.00 0.00 C ATOM 211 C ALA A 14 -9.470 -11.073 -5.378 1.00 0.00 C ATOM 212 O ALA A 14 -10.005 -12.058 -5.847 1.00 0.00 O ATOM 213 CB ALA A 14 -8.827 -9.516 -7.214 1.00 0.00 C ATOM 0 H ALA A 14 -7.413 -11.480 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.760 -9.814 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.507 -8.769 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.990 -9.016 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.358 -10.129 -7.942 1.00 0.00 H new ATOM 219 N SER A 15 -9.844 -10.521 -4.259 1.00 0.00 N ATOM 220 CA SER A 15 -10.976 -11.101 -3.497 1.00 0.00 C ATOM 221 C SER A 15 -12.311 -10.659 -4.080 1.00 0.00 C ATOM 222 O SER A 15 -13.355 -11.084 -3.626 1.00 0.00 O ATOM 223 CB SER A 15 -10.882 -10.606 -2.046 1.00 0.00 C ATOM 224 OG SER A 15 -12.075 -11.080 -1.439 1.00 0.00 O ATOM 0 H SER A 15 -9.414 -9.695 -3.842 1.00 0.00 H new ATOM 0 HA SER A 15 -10.919 -12.188 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.997 -11.001 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.816 -9.519 -1.999 1.00 0.00 H new ATOM 0 HG SER A 15 -12.629 -11.528 -2.112 1.00 0.00 H new ATOM 230 N GLY A 16 -12.264 -9.805 -5.079 1.00 0.00 N ATOM 231 CA GLY A 16 -13.549 -9.333 -5.695 1.00 0.00 C ATOM 232 C GLY A 16 -13.415 -7.916 -6.252 1.00 0.00 C ATOM 233 O GLY A 16 -12.438 -7.234 -6.018 1.00 0.00 O ATOM 0 H GLY A 16 -11.411 -9.422 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.842 -10.013 -6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.343 -9.358 -4.948 1.00 0.00 H new ATOM 237 N TYR A 17 -14.414 -7.512 -6.985 1.00 0.00 N ATOM 238 CA TYR A 17 -14.399 -6.154 -7.579 1.00 0.00 C ATOM 239 C TYR A 17 -14.645 -5.108 -6.484 1.00 0.00 C ATOM 240 O TYR A 17 -15.303 -5.383 -5.500 1.00 0.00 O ATOM 241 CB TYR A 17 -15.538 -6.105 -8.661 1.00 0.00 C ATOM 242 CG TYR A 17 -15.008 -5.555 -10.014 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.823 -6.024 -10.584 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.721 -4.581 -10.685 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.377 -5.512 -11.788 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.270 -4.080 -11.886 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.099 -4.544 -12.447 1.00 0.00 C ATOM 248 OH TYR A 17 -13.667 -4.057 -13.665 1.00 0.00 O ATOM 0 H TYR A 17 -15.242 -8.069 -7.197 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.435 -5.935 -8.038 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.947 -7.105 -8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.354 -5.476 -8.305 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.252 -6.791 -10.082 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.643 -4.208 -10.263 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.454 -5.875 -12.215 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.840 -3.316 -12.394 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.084 -3.283 -13.520 1.00 0.00 H new ATOM 258 N HIS A 18 -14.108 -3.924 -6.671 1.00 0.00 N ATOM 259 CA HIS A 18 -14.305 -2.858 -5.638 1.00 0.00 C ATOM 260 C HIS A 18 -14.381 -1.472 -6.266 1.00 0.00 C ATOM 261 O HIS A 18 -15.442 -0.893 -6.389 1.00 0.00 O ATOM 262 CB HIS A 18 -13.083 -2.888 -4.699 1.00 0.00 C ATOM 263 CG HIS A 18 -13.121 -4.143 -3.831 1.00 0.00 C ATOM 264 ND1 HIS A 18 -12.130 -4.865 -3.583 1.00 0.00 N ATOM 265 CD2 HIS A 18 -14.182 -4.731 -3.166 1.00 0.00 C ATOM 266 CE1 HIS A 18 -12.441 -5.841 -2.837 1.00 0.00 C ATOM 267 NE2 HIS A 18 -13.736 -5.843 -2.515 1.00 0.00 N ATOM 0 H HIS A 18 -13.551 -3.653 -7.481 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.240 -3.049 -5.111 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.164 -2.869 -5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.077 -1.999 -4.068 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -15.199 -4.368 -3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.737 -6.587 -2.500 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.255 -6.502 -1.935 1.00 0.00 H new ATOM 275 N TYR A 19 -13.249 -0.968 -6.639 1.00 0.00 N ATOM 276 CA TYR A 19 -13.199 0.377 -7.263 1.00 0.00 C ATOM 277 C TYR A 19 -13.643 0.262 -8.709 1.00 0.00 C ATOM 278 O TYR A 19 -13.923 1.246 -9.381 1.00 0.00 O ATOM 279 CB TYR A 19 -11.725 0.801 -7.245 1.00 0.00 C ATOM 280 CG TYR A 19 -11.199 0.636 -5.806 1.00 0.00 C ATOM 281 CD1 TYR A 19 -10.819 -0.615 -5.335 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.307 1.659 -4.915 1.00 0.00 C ATOM 283 CE1 TYR A 19 -10.605 -0.821 -3.999 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.098 1.452 -3.585 1.00 0.00 C ATOM 285 CZ TYR A 19 -10.744 0.211 -3.110 1.00 0.00 C ATOM 286 OH TYR A 19 -10.551 0.002 -1.766 1.00 0.00 O ATOM 0 H TYR A 19 -12.346 -1.432 -6.539 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.838 1.088 -6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.144 0.189 -7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.622 1.836 -7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.691 -1.432 -6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.562 2.648 -5.267 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.325 -1.802 -3.644 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.212 2.274 -2.894 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.612 0.171 -1.540 1.00 0.00 H new ATOM 296 N GLY A 20 -13.703 -0.967 -9.150 1.00 0.00 N ATOM 297 CA GLY A 20 -14.117 -1.274 -10.551 1.00 0.00 C ATOM 298 C GLY A 20 -13.018 -2.119 -11.169 1.00 0.00 C ATOM 299 O GLY A 20 -12.908 -2.242 -12.372 1.00 0.00 O ATOM 0 H GLY A 20 -13.478 -1.787 -8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.067 -1.809 -10.563 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.262 -0.355 -11.119 1.00 0.00 H new ATOM 303 N VAL A 21 -12.199 -2.668 -10.293 1.00 0.00 N ATOM 304 CA VAL A 21 -11.069 -3.529 -10.736 1.00 0.00 C ATOM 305 C VAL A 21 -10.977 -4.737 -9.849 1.00 0.00 C ATOM 306 O VAL A 21 -11.561 -4.785 -8.785 1.00 0.00 O ATOM 307 CB VAL A 21 -9.698 -2.756 -10.572 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.504 -1.709 -11.721 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.641 -2.055 -9.171 1.00 0.00 C ATOM 0 H VAL A 21 -12.274 -2.549 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.245 -3.804 -11.776 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.884 -3.478 -10.637 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.554 -1.191 -11.585 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.504 -2.221 -12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.319 -0.985 -11.695 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.694 -1.526 -9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.464 -1.346 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.725 -2.805 -8.385 1.00 0.00 H new ATOM 319 N TRP A 22 -10.240 -5.694 -10.297 1.00 0.00 N ATOM 320 CA TRP A 22 -10.080 -6.927 -9.491 1.00 0.00 C ATOM 321 C TRP A 22 -8.928 -6.695 -8.548 1.00 0.00 C ATOM 322 O TRP A 22 -7.837 -7.139 -8.795 1.00 0.00 O ATOM 323 CB TRP A 22 -9.733 -8.103 -10.422 1.00 0.00 C ATOM 324 CG TRP A 22 -10.881 -8.330 -11.396 1.00 0.00 C ATOM 325 CD1 TRP A 22 -10.839 -7.992 -12.664 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.027 -8.879 -11.086 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.043 -8.362 -13.135 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.863 -8.940 -12.185 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.455 -9.368 -9.866 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.124 -9.489 -12.065 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.717 -9.917 -9.749 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.550 -9.976 -10.847 1.00 0.00 C ATOM 0 H TRP A 22 -9.739 -5.682 -11.185 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.996 -7.158 -8.948 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -8.814 -7.890 -10.968 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.554 -9.005 -9.836 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.027 -7.526 -13.203 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.325 -8.228 -14.106 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.804 -9.321 -9.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.776 -9.537 -12.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.052 -10.301 -8.797 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.537 -10.404 -10.753 1.00 0.00 H new ATOM 343 N SER A 23 -9.195 -5.981 -7.470 1.00 0.00 N ATOM 344 CA SER A 23 -8.112 -5.691 -6.473 1.00 0.00 C ATOM 345 C SER A 23 -8.175 -6.614 -5.264 1.00 0.00 C ATOM 346 O SER A 23 -9.207 -7.169 -4.942 1.00 0.00 O ATOM 347 CB SER A 23 -8.262 -4.212 -6.004 1.00 0.00 C ATOM 348 OG SER A 23 -9.402 -3.727 -6.702 1.00 0.00 O ATOM 0 H SER A 23 -10.110 -5.591 -7.242 1.00 0.00 H new ATOM 0 HA SER A 23 -7.149 -5.858 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.403 -4.151 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.373 -3.628 -6.243 1.00 0.00 H new ATOM 0 HG SER A 23 -10.084 -3.444 -6.058 1.00 0.00 H new ATOM 354 N CYS A 24 -7.049 -6.742 -4.607 1.00 0.00 N ATOM 355 CA CYS A 24 -6.986 -7.621 -3.403 1.00 0.00 C ATOM 356 C CYS A 24 -7.438 -6.875 -2.148 1.00 0.00 C ATOM 357 O CYS A 24 -7.977 -5.790 -2.228 1.00 0.00 O ATOM 358 CB CYS A 24 -5.533 -8.106 -3.226 1.00 0.00 C ATOM 359 SG CYS A 24 -4.327 -6.948 -2.531 1.00 0.00 S ATOM 0 H CYS A 24 -6.175 -6.277 -4.852 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.657 -8.468 -3.546 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.552 -8.990 -2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.166 -8.424 -4.202 1.00 0.00 H new ATOM 364 N GLU A 25 -7.207 -7.476 -1.006 1.00 0.00 N ATOM 365 CA GLU A 25 -7.617 -6.823 0.268 1.00 0.00 C ATOM 366 C GLU A 25 -6.621 -5.761 0.730 1.00 0.00 C ATOM 367 O GLU A 25 -6.921 -4.588 0.730 1.00 0.00 O ATOM 368 CB GLU A 25 -7.704 -7.906 1.355 1.00 0.00 C ATOM 369 CG GLU A 25 -8.618 -9.040 0.873 1.00 0.00 C ATOM 370 CD GLU A 25 -7.859 -9.920 -0.125 1.00 0.00 C ATOM 371 OE1 GLU A 25 -7.096 -10.745 0.352 1.00 0.00 O ATOM 372 OE2 GLU A 25 -8.084 -9.717 -1.307 1.00 0.00 O ATOM 0 H GLU A 25 -6.755 -8.385 -0.905 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.574 -6.330 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.710 -8.295 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.093 -7.479 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.951 -9.638 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.511 -8.627 0.404 1.00 0.00 H new ATOM 379 N GLY A 26 -5.454 -6.194 1.109 1.00 0.00 N ATOM 380 CA GLY A 26 -4.413 -5.224 1.582 1.00 0.00 C ATOM 381 C GLY A 26 -4.386 -3.964 0.724 1.00 0.00 C ATOM 382 O GLY A 26 -4.384 -2.866 1.241 1.00 0.00 O ATOM 0 H GLY A 26 -5.170 -7.174 1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.612 -4.954 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.433 -5.701 1.559 1.00 0.00 H new ATOM 386 N CYS A 27 -4.362 -4.132 -0.564 1.00 0.00 N ATOM 387 CA CYS A 27 -4.336 -2.931 -1.430 1.00 0.00 C ATOM 388 C CYS A 27 -5.632 -2.147 -1.286 1.00 0.00 C ATOM 389 O CYS A 27 -5.628 -0.937 -1.299 1.00 0.00 O ATOM 390 CB CYS A 27 -4.153 -3.369 -2.891 1.00 0.00 C ATOM 391 SG CYS A 27 -2.506 -3.940 -3.371 1.00 0.00 S ATOM 0 H CYS A 27 -4.359 -5.031 -1.046 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.507 -2.289 -1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.863 -4.170 -3.097 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.422 -2.531 -3.533 1.00 0.00 H new ATOM 396 N LYS A 28 -6.716 -2.851 -1.149 1.00 0.00 N ATOM 397 CA LYS A 28 -8.014 -2.154 -1.001 1.00 0.00 C ATOM 398 C LYS A 28 -8.024 -1.374 0.314 1.00 0.00 C ATOM 399 O LYS A 28 -8.323 -0.198 0.342 1.00 0.00 O ATOM 400 CB LYS A 28 -9.148 -3.239 -1.020 1.00 0.00 C ATOM 401 CG LYS A 28 -10.320 -2.841 -0.101 1.00 0.00 C ATOM 402 CD LYS A 28 -11.524 -3.736 -0.403 1.00 0.00 C ATOM 403 CE LYS A 28 -12.564 -3.569 0.707 1.00 0.00 C ATOM 404 NZ LYS A 28 -12.985 -2.145 0.813 1.00 0.00 N ATOM 0 H LYS A 28 -6.758 -3.870 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.174 -1.446 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.511 -3.371 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.742 -4.198 -0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.029 -2.944 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.581 -1.795 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.957 -3.470 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.210 -4.778 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.431 -4.197 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.148 -3.904 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.988 -2.099 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.410 -1.666 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.851 -1.674 -0.105 1.00 0.00 H new ATOM 418 N ALA A 29 -7.697 -2.048 1.373 1.00 0.00 N ATOM 419 CA ALA A 29 -7.678 -1.373 2.686 1.00 0.00 C ATOM 420 C ALA A 29 -6.673 -0.237 2.662 1.00 0.00 C ATOM 421 O ALA A 29 -6.964 0.868 3.069 1.00 0.00 O ATOM 422 CB ALA A 29 -7.252 -2.405 3.750 1.00 0.00 C ATOM 0 H ALA A 29 -7.443 -3.036 1.384 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.665 -0.971 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.230 -1.929 4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.964 -3.230 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.260 -2.786 3.510 1.00 0.00 H new ATOM 428 N PHE A 30 -5.513 -0.537 2.171 1.00 0.00 N ATOM 429 CA PHE A 30 -4.450 0.488 2.093 1.00 0.00 C ATOM 430 C PHE A 30 -4.917 1.659 1.268 1.00 0.00 C ATOM 431 O PHE A 30 -4.742 2.802 1.633 1.00 0.00 O ATOM 432 CB PHE A 30 -3.264 -0.172 1.380 1.00 0.00 C ATOM 433 CG PHE A 30 -2.203 0.864 0.981 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.383 1.651 -0.155 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.027 0.995 1.709 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.407 2.541 -0.545 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.064 1.888 1.304 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.258 2.651 0.181 1.00 0.00 C ATOM 0 H PHE A 30 -5.253 -1.458 1.817 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.186 0.847 3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.816 -0.921 2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.617 -0.694 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.292 1.563 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.870 0.395 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.551 3.151 -1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.849 1.989 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.507 3.346 -0.132 1.00 0.00 H new ATOM 448 N PHE A 31 -5.491 1.346 0.164 1.00 0.00 N ATOM 449 CA PHE A 31 -5.987 2.414 -0.727 1.00 0.00 C ATOM 450 C PHE A 31 -7.083 3.224 -0.064 1.00 0.00 C ATOM 451 O PHE A 31 -7.029 4.434 -0.066 1.00 0.00 O ATOM 452 CB PHE A 31 -6.526 1.741 -2.022 1.00 0.00 C ATOM 453 CG PHE A 31 -6.910 2.807 -3.055 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.995 3.743 -3.463 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.192 2.860 -3.572 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.349 4.712 -4.349 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.550 3.826 -4.452 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.631 4.762 -4.854 1.00 0.00 C ATOM 0 H PHE A 31 -5.642 0.393 -0.168 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.174 3.102 -0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.768 1.078 -2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.393 1.125 -1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.986 3.711 -3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.918 2.120 -3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.621 5.447 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.559 3.859 -4.837 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.909 5.531 -5.560 1.00 0.00 H new ATOM 468 N LYS A 32 -8.049 2.568 0.506 1.00 0.00 N ATOM 469 CA LYS A 32 -9.140 3.339 1.163 1.00 0.00 C ATOM 470 C LYS A 32 -8.649 3.979 2.430 1.00 0.00 C ATOM 471 O LYS A 32 -9.285 4.865 2.965 1.00 0.00 O ATOM 472 CB LYS A 32 -10.312 2.385 1.486 1.00 0.00 C ATOM 473 CG LYS A 32 -11.151 2.177 0.216 1.00 0.00 C ATOM 474 CD LYS A 32 -12.053 0.941 0.384 1.00 0.00 C ATOM 475 CE LYS A 32 -13.148 1.234 1.418 1.00 0.00 C ATOM 476 NZ LYS A 32 -12.593 1.178 2.798 1.00 0.00 N ATOM 0 H LYS A 32 -8.133 1.552 0.547 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.474 4.125 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.931 1.429 1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.930 2.803 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.760 3.060 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.497 2.047 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.504 0.676 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.458 0.086 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.577 2.219 1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.956 0.510 1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.263 0.684 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.688 0.666 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.440 2.145 3.150 1.00 0.00 H new ATOM 490 N ARG A 33 -7.535 3.536 2.900 1.00 0.00 N ATOM 491 CA ARG A 33 -7.016 4.125 4.128 1.00 0.00 C ATOM 492 C ARG A 33 -6.530 5.528 3.859 1.00 0.00 C ATOM 493 O ARG A 33 -6.309 6.286 4.783 1.00 0.00 O ATOM 494 CB ARG A 33 -5.830 3.295 4.612 1.00 0.00 C ATOM 495 CG ARG A 33 -5.334 3.857 5.954 1.00 0.00 C ATOM 496 CD ARG A 33 -4.443 2.816 6.642 1.00 0.00 C ATOM 497 NE ARG A 33 -5.308 1.770 7.256 1.00 0.00 N ATOM 498 CZ ARG A 33 -4.779 0.633 7.622 1.00 0.00 C ATOM 499 NH1 ARG A 33 -4.613 -0.302 6.726 1.00 0.00 N ATOM 500 NH2 ARG A 33 -4.436 0.469 8.871 1.00 0.00 N ATOM 0 H ARG A 33 -6.968 2.796 2.486 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.807 4.144 4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.124 2.252 4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.028 3.321 3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.776 4.779 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.182 4.106 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.763 2.366 5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.828 3.292 7.405 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.305 1.940 7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.895 -0.138 5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.202 -1.196 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.582 1.222 9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.022 -0.412 9.175 1.00 0.00 H new ATOM 514 N SER A 34 -6.357 5.874 2.579 1.00 0.00 N ATOM 515 CA SER A 34 -5.869 7.270 2.281 1.00 0.00 C ATOM 516 C SER A 34 -6.474 7.946 1.037 1.00 0.00 C ATOM 517 O SER A 34 -6.933 9.064 1.135 1.00 0.00 O ATOM 518 CB SER A 34 -4.358 7.163 2.055 1.00 0.00 C ATOM 519 OG SER A 34 -3.953 6.177 2.996 1.00 0.00 O ATOM 0 H SER A 34 -6.526 5.275 1.771 1.00 0.00 H new ATOM 0 HA SER A 34 -6.170 7.890 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.125 6.863 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.857 8.115 2.230 1.00 0.00 H new ATOM 0 HG SER A 34 -3.299 5.577 2.580 1.00 0.00 H new ATOM 525 N ILE A 35 -6.530 7.246 -0.087 1.00 0.00 N ATOM 526 CA ILE A 35 -7.106 7.892 -1.338 1.00 0.00 C ATOM 527 C ILE A 35 -6.643 9.364 -1.439 1.00 0.00 C ATOM 528 O ILE A 35 -5.827 9.811 -0.665 1.00 0.00 O ATOM 529 CB ILE A 35 -8.666 7.814 -1.336 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.118 6.423 -0.889 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.210 8.054 -2.792 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.828 5.392 -2.014 1.00 0.00 C ATOM 0 H ILE A 35 -6.213 6.283 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.739 7.345 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.050 8.573 -0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.596 6.136 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.183 6.433 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.299 7.999 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.898 9.039 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.811 7.291 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.151 4.402 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.370 5.676 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.759 5.374 -2.224 1.00 0.00 H new ATOM 544 N GLN A 36 -7.122 10.057 -2.429 1.00 0.00 N ATOM 545 CA GLN A 36 -6.727 11.485 -2.601 1.00 0.00 C ATOM 546 C GLN A 36 -5.235 11.589 -2.830 1.00 0.00 C ATOM 547 O GLN A 36 -4.452 10.912 -2.202 1.00 0.00 O ATOM 548 CB GLN A 36 -7.069 12.308 -1.343 1.00 0.00 C ATOM 549 CG GLN A 36 -8.531 12.054 -0.900 1.00 0.00 C ATOM 550 CD GLN A 36 -9.479 12.989 -1.661 1.00 0.00 C ATOM 551 OE1 GLN A 36 -10.047 12.628 -2.671 1.00 0.00 O ATOM 552 NE2 GLN A 36 -9.676 14.198 -1.205 1.00 0.00 N ATOM 0 H GLN A 36 -7.771 9.699 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.276 11.875 -3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.388 12.044 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.925 13.369 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.802 11.015 -1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.628 12.218 0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.201 14.507 -0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.304 14.833 -1.698 1.00 0.00 H new ATOM 561 N GLY A 37 -4.866 12.461 -3.692 1.00 0.00 N ATOM 562 CA GLY A 37 -3.418 12.623 -3.979 1.00 0.00 C ATOM 563 C GLY A 37 -2.712 13.246 -2.784 1.00 0.00 C ATOM 564 O GLY A 37 -2.021 12.584 -2.063 1.00 0.00 O ATOM 0 H GLY A 37 -5.491 13.073 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.975 11.654 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.282 13.252 -4.859 1.00 0.00 H new ATOM 568 N HIS A 38 -2.907 14.515 -2.611 1.00 0.00 N ATOM 569 CA HIS A 38 -2.255 15.219 -1.464 1.00 0.00 C ATOM 570 C HIS A 38 -2.298 14.383 -0.178 1.00 0.00 C ATOM 571 O HIS A 38 -3.331 14.250 0.446 1.00 0.00 O ATOM 572 CB HIS A 38 -3.003 16.535 -1.213 1.00 0.00 C ATOM 573 CG HIS A 38 -2.168 17.420 -0.283 1.00 0.00 C ATOM 574 ND1 HIS A 38 -1.516 17.005 0.699 1.00 0.00 N ATOM 575 CD2 HIS A 38 -1.953 18.783 -0.318 1.00 0.00 C ATOM 576 CE1 HIS A 38 -0.914 17.951 1.291 1.00 0.00 C ATOM 577 NE2 HIS A 38 -1.131 19.132 0.711 1.00 0.00 N ATOM 0 H HIS A 38 -3.488 15.103 -3.209 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.210 15.392 -1.722 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.185 17.049 -2.157 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.977 16.334 -0.766 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.370 19.464 -1.045 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.296 17.816 2.166 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.776 20.053 0.969 1.00 0.00 H new ATOM 585 N ASN A 39 -1.159 13.847 0.188 1.00 0.00 N ATOM 586 CA ASN A 39 -1.078 13.015 1.423 1.00 0.00 C ATOM 587 C ASN A 39 0.374 12.592 1.672 1.00 0.00 C ATOM 588 O ASN A 39 1.171 12.552 0.758 1.00 0.00 O ATOM 589 CB ASN A 39 -1.974 11.768 1.253 1.00 0.00 C ATOM 590 CG ASN A 39 -1.625 11.008 -0.035 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.334 10.110 -0.444 1.00 0.00 O ATOM 592 ND2 ASN A 39 -0.552 11.330 -0.700 1.00 0.00 N ATOM 0 H ASN A 39 -0.280 13.952 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.423 13.595 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.852 11.109 2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.021 12.069 1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.313 10.830 -1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.049 12.082 -0.364 1.00 0.00 H new ATOM 599 N ASP A 40 0.717 12.305 2.906 1.00 0.00 N ATOM 600 CA ASP A 40 2.125 11.894 3.165 1.00 0.00 C ATOM 601 C ASP A 40 2.407 10.558 2.527 1.00 0.00 C ATOM 602 O ASP A 40 1.944 9.530 2.977 1.00 0.00 O ATOM 603 CB ASP A 40 2.372 11.776 4.649 1.00 0.00 C ATOM 604 CG ASP A 40 1.342 10.830 5.271 1.00 0.00 C ATOM 605 OD1 ASP A 40 0.227 10.842 4.774 1.00 0.00 O ATOM 606 OD2 ASP A 40 1.727 10.151 6.207 1.00 0.00 O ATOM 0 H ASP A 40 0.102 12.337 3.719 1.00 0.00 H new ATOM 0 HA ASP A 40 2.781 12.654 2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.380 11.402 4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.307 12.758 5.117 1.00 0.00 H new ATOM 611 N TYR A 41 3.172 10.605 1.501 1.00 0.00 N ATOM 612 CA TYR A 41 3.535 9.359 0.761 1.00 0.00 C ATOM 613 C TYR A 41 4.898 9.537 0.111 1.00 0.00 C ATOM 614 O TYR A 41 5.206 10.600 -0.391 1.00 0.00 O ATOM 615 CB TYR A 41 2.477 9.122 -0.364 1.00 0.00 C ATOM 616 CG TYR A 41 1.244 8.390 0.206 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.324 9.043 0.990 1.00 0.00 C ATOM 618 CD2 TYR A 41 1.064 7.060 -0.048 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.749 8.369 1.525 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.018 6.380 0.487 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.919 7.028 1.275 1.00 0.00 C ATOM 622 OH TYR A 41 -1.955 6.338 1.829 1.00 0.00 O ATOM 0 H TYR A 41 3.577 11.461 1.123 1.00 0.00 H new ATOM 0 HA TYR A 41 3.560 8.515 1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.175 10.076 -0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.918 8.534 -1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.445 10.098 1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.772 6.534 -0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.461 8.895 2.144 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.147 5.328 0.277 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.231 6.775 2.662 1.00 0.00 H new ATOM 632 N MET A 42 5.697 8.508 0.123 1.00 0.00 N ATOM 633 CA MET A 42 7.031 8.647 -0.501 1.00 0.00 C ATOM 634 C MET A 42 7.729 7.291 -0.647 1.00 0.00 C ATOM 635 O MET A 42 7.359 6.321 -0.019 1.00 0.00 O ATOM 636 CB MET A 42 7.891 9.590 0.412 1.00 0.00 C ATOM 637 CG MET A 42 8.658 10.604 -0.453 1.00 0.00 C ATOM 638 SD MET A 42 9.656 11.845 0.411 1.00 0.00 S ATOM 639 CE MET A 42 8.303 12.972 0.834 1.00 0.00 C ATOM 0 H MET A 42 5.487 7.597 0.530 1.00 0.00 H new ATOM 0 HA MET A 42 6.919 9.064 -1.502 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.246 10.115 1.116 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.592 8.999 1.001 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.315 10.048 -1.122 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.936 11.128 -1.079 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.699 13.827 1.382 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.820 13.319 -0.079 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.574 12.449 1.454 1.00 0.00 H new ATOM 649 N CYS A 43 8.704 7.265 -1.526 1.00 0.00 N ATOM 650 CA CYS A 43 9.489 6.011 -1.782 1.00 0.00 C ATOM 651 C CYS A 43 10.955 6.129 -1.241 1.00 0.00 C ATOM 652 O CYS A 43 11.842 6.543 -1.961 1.00 0.00 O ATOM 653 CB CYS A 43 9.550 5.828 -3.324 1.00 0.00 C ATOM 654 SG CYS A 43 9.702 4.149 -3.958 1.00 0.00 S ATOM 0 H CYS A 43 8.993 8.068 -2.084 1.00 0.00 H new ATOM 0 HA CYS A 43 9.011 5.172 -1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.649 6.268 -3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.395 6.406 -3.698 1.00 0.00 H new ATOM 659 N PRO A 44 11.188 5.772 0.027 1.00 0.00 N ATOM 660 CA PRO A 44 12.538 5.860 0.584 1.00 0.00 C ATOM 661 C PRO A 44 13.499 4.921 -0.166 1.00 0.00 C ATOM 662 O PRO A 44 13.695 3.785 0.217 1.00 0.00 O ATOM 663 CB PRO A 44 12.388 5.435 2.084 1.00 0.00 C ATOM 664 CG PRO A 44 10.871 5.125 2.323 1.00 0.00 C ATOM 665 CD PRO A 44 10.150 5.290 0.958 1.00 0.00 C ATOM 0 HA PRO A 44 12.957 6.862 0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.999 4.559 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.728 6.231 2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.741 4.113 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.451 5.805 3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.726 4.344 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.326 6.000 1.031 1.00 0.00 H new ATOM 673 N ALA A 45 14.069 5.422 -1.228 1.00 0.00 N ATOM 674 CA ALA A 45 15.009 4.594 -2.018 1.00 0.00 C ATOM 675 C ALA A 45 15.624 5.422 -3.056 1.00 0.00 C ATOM 676 O ALA A 45 16.674 5.107 -3.579 1.00 0.00 O ATOM 677 CB ALA A 45 14.221 3.489 -2.696 1.00 0.00 C ATOM 0 H ALA A 45 13.921 6.368 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 45 15.777 4.179 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.897 2.868 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.729 2.876 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.469 3.928 -3.352 1.00 0.00 H new ATOM 683 N THR A 46 14.951 6.458 -3.370 1.00 0.00 N ATOM 684 CA THR A 46 15.465 7.362 -4.386 1.00 0.00 C ATOM 685 C THR A 46 15.746 6.595 -5.681 1.00 0.00 C ATOM 686 O THR A 46 16.877 6.425 -6.085 1.00 0.00 O ATOM 687 CB THR A 46 16.768 7.987 -3.820 1.00 0.00 C ATOM 688 OG1 THR A 46 16.333 9.098 -3.061 1.00 0.00 O ATOM 689 CG2 THR A 46 17.652 8.613 -4.926 1.00 0.00 C ATOM 0 H THR A 46 14.054 6.721 -2.961 1.00 0.00 H new ATOM 0 HA THR A 46 14.740 8.141 -4.622 1.00 0.00 H new ATOM 0 HB THR A 46 17.331 7.218 -3.290 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.109 9.548 -2.666 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.551 9.036 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.933 7.844 -5.646 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.095 9.400 -5.435 1.00 0.00 H new ATOM 697 N ASN A 47 14.692 6.132 -6.297 1.00 0.00 N ATOM 698 CA ASN A 47 14.851 5.373 -7.560 1.00 0.00 C ATOM 699 C ASN A 47 13.491 5.103 -8.194 1.00 0.00 C ATOM 700 O ASN A 47 13.120 3.967 -8.409 1.00 0.00 O ATOM 701 CB ASN A 47 15.522 4.026 -7.232 1.00 0.00 C ATOM 702 CG ASN A 47 16.050 3.396 -8.522 1.00 0.00 C ATOM 703 OD1 ASN A 47 15.416 2.547 -9.116 1.00 0.00 O ATOM 704 ND2 ASN A 47 17.206 3.781 -8.987 1.00 0.00 N ATOM 0 H ASN A 47 13.731 6.249 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 47 15.456 5.952 -8.257 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.339 4.176 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.806 3.357 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.573 3.370 -9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.743 4.494 -8.493 1.00 0.00 H new ATOM 711 N GLN A 48 12.771 6.156 -8.484 1.00 0.00 N ATOM 712 CA GLN A 48 11.433 5.973 -9.103 1.00 0.00 C ATOM 713 C GLN A 48 10.491 5.274 -8.119 1.00 0.00 C ATOM 714 O GLN A 48 10.645 5.401 -6.920 1.00 0.00 O ATOM 715 CB GLN A 48 11.605 5.095 -10.377 1.00 0.00 C ATOM 716 CG GLN A 48 10.529 5.471 -11.418 1.00 0.00 C ATOM 717 CD GLN A 48 10.978 6.714 -12.196 1.00 0.00 C ATOM 718 OE1 GLN A 48 10.591 7.824 -11.892 1.00 0.00 O ATOM 719 NE2 GLN A 48 11.792 6.567 -13.206 1.00 0.00 N ATOM 0 H GLN A 48 13.051 7.123 -8.320 1.00 0.00 H new ATOM 0 HA GLN A 48 11.006 6.941 -9.363 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.599 5.241 -10.799 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.520 4.040 -10.117 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.366 4.640 -12.104 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.579 5.665 -10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.120 5.637 -13.465 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.100 7.382 -13.736 1.00 0.00 H new ATOM 728 N CYS A 49 9.529 4.543 -8.640 1.00 0.00 N ATOM 729 CA CYS A 49 8.570 3.831 -7.737 1.00 0.00 C ATOM 730 C CYS A 49 8.217 2.440 -8.307 1.00 0.00 C ATOM 731 O CYS A 49 7.937 2.281 -9.479 1.00 0.00 O ATOM 732 CB CYS A 49 7.269 4.695 -7.587 1.00 0.00 C ATOM 733 SG CYS A 49 7.013 5.587 -6.007 1.00 0.00 S ATOM 0 H CYS A 49 9.370 4.411 -9.639 1.00 0.00 H new ATOM 0 HA CYS A 49 9.035 3.691 -6.761 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.261 5.430 -8.392 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.412 4.040 -7.745 1.00 0.00 H new ATOM 738 N THR A 50 8.252 1.484 -7.439 1.00 0.00 N ATOM 739 CA THR A 50 7.937 0.078 -7.809 1.00 0.00 C ATOM 740 C THR A 50 7.538 -0.678 -6.540 1.00 0.00 C ATOM 741 O THR A 50 8.140 -0.473 -5.504 1.00 0.00 O ATOM 742 CB THR A 50 9.194 -0.563 -8.401 1.00 0.00 C ATOM 743 OG1 THR A 50 9.515 0.220 -9.532 1.00 0.00 O ATOM 744 CG2 THR A 50 8.882 -1.955 -8.969 1.00 0.00 C ATOM 0 H THR A 50 8.493 1.616 -6.457 1.00 0.00 H new ATOM 0 HA THR A 50 7.125 0.044 -8.535 1.00 0.00 H new ATOM 0 HB THR A 50 9.970 -0.628 -7.638 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.743 0.771 -9.778 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.791 -2.391 -9.384 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.503 -2.596 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.130 -1.868 -9.753 1.00 0.00 H new ATOM 752 N ILE A 51 6.528 -1.546 -6.626 1.00 0.00 N ATOM 753 CA ILE A 51 6.097 -2.314 -5.389 1.00 0.00 C ATOM 754 C ILE A 51 6.239 -3.834 -5.546 1.00 0.00 C ATOM 755 O ILE A 51 6.405 -4.348 -6.634 1.00 0.00 O ATOM 756 CB ILE A 51 4.624 -1.934 -5.072 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.333 -2.195 -3.604 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.638 -2.757 -5.924 1.00 0.00 C ATOM 759 CD1 ILE A 51 2.866 -1.938 -3.306 1.00 0.00 C ATOM 0 H ILE A 51 6.000 -1.749 -7.475 1.00 0.00 H new ATOM 0 HA ILE A 51 6.756 -2.037 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 51 4.494 -0.877 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.588 -3.225 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.956 -1.552 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.616 -2.468 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.825 -2.568 -6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.775 -3.818 -5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.670 -2.129 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.624 -0.901 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.250 -2.600 -3.915 1.00 0.00 H new ATOM 771 N ASP A 52 6.165 -4.511 -4.421 1.00 0.00 N ATOM 772 CA ASP A 52 6.287 -5.991 -4.414 1.00 0.00 C ATOM 773 C ASP A 52 5.764 -6.571 -3.087 1.00 0.00 C ATOM 774 O ASP A 52 4.616 -6.951 -2.994 1.00 0.00 O ATOM 775 CB ASP A 52 7.772 -6.359 -4.561 1.00 0.00 C ATOM 776 CG ASP A 52 7.928 -7.878 -4.471 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.937 -8.541 -4.731 1.00 0.00 O ATOM 778 OD2 ASP A 52 9.030 -8.291 -4.147 1.00 0.00 O ATOM 0 H ASP A 52 6.024 -4.089 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 52 5.700 -6.401 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.155 -5.999 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.358 -5.875 -3.779 1.00 0.00 H new ATOM 783 N LYS A 53 6.621 -6.623 -2.074 1.00 0.00 N ATOM 784 CA LYS A 53 6.158 -7.180 -0.760 1.00 0.00 C ATOM 785 C LYS A 53 7.193 -6.980 0.369 1.00 0.00 C ATOM 786 O LYS A 53 8.359 -7.280 0.210 1.00 0.00 O ATOM 787 CB LYS A 53 5.915 -8.694 -0.941 1.00 0.00 C ATOM 788 CG LYS A 53 7.261 -9.404 -1.166 1.00 0.00 C ATOM 789 CD LYS A 53 7.009 -10.790 -1.769 1.00 0.00 C ATOM 790 CE LYS A 53 8.305 -11.601 -1.718 1.00 0.00 C ATOM 791 NZ LYS A 53 9.449 -10.787 -2.217 1.00 0.00 N ATOM 0 H LYS A 53 7.592 -6.311 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 53 5.251 -6.650 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.419 -9.102 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.253 -8.868 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.889 -8.814 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.798 -9.498 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.222 -11.303 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.665 -10.695 -2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.499 -11.924 -0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.201 -12.502 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.187 -11.418 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.120 -10.153 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.840 -10.222 -1.436 1.00 0.00 H new ATOM 805 N ASN A 54 6.720 -6.473 1.492 1.00 0.00 N ATOM 806 CA ASN A 54 7.618 -6.231 2.667 1.00 0.00 C ATOM 807 C ASN A 54 6.756 -5.871 3.881 1.00 0.00 C ATOM 808 O ASN A 54 6.356 -6.727 4.644 1.00 0.00 O ATOM 809 CB ASN A 54 8.555 -5.044 2.340 1.00 0.00 C ATOM 810 CG ASN A 54 9.769 -5.551 1.559 1.00 0.00 C ATOM 811 OD1 ASN A 54 10.586 -6.291 2.071 1.00 0.00 O ATOM 812 ND2 ASN A 54 9.926 -5.177 0.319 1.00 0.00 N ATOM 0 H ASN A 54 5.744 -6.217 1.641 1.00 0.00 H new ATOM 0 HA ASN A 54 8.208 -7.122 2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.020 -4.295 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.879 -4.558 3.261 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.731 -5.506 -0.215 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.244 -4.556 -0.117 1.00 0.00 H new ATOM 819 N ARG A 55 6.492 -4.599 4.025 1.00 0.00 N ATOM 820 CA ARG A 55 5.657 -4.111 5.164 1.00 0.00 C ATOM 821 C ARG A 55 4.330 -3.740 4.583 1.00 0.00 C ATOM 822 O ARG A 55 3.481 -4.581 4.365 1.00 0.00 O ATOM 823 CB ARG A 55 6.331 -2.861 5.774 1.00 0.00 C ATOM 824 CG ARG A 55 7.495 -3.297 6.667 1.00 0.00 C ATOM 825 CD ARG A 55 8.000 -2.088 7.457 1.00 0.00 C ATOM 826 NE ARG A 55 9.280 -2.448 8.131 1.00 0.00 N ATOM 827 CZ ARG A 55 9.308 -3.462 8.952 1.00 0.00 C ATOM 828 NH1 ARG A 55 8.352 -3.589 9.830 1.00 0.00 N ATOM 829 NH2 ARG A 55 10.293 -4.314 8.867 1.00 0.00 N ATOM 0 H ARG A 55 6.823 -3.868 3.395 1.00 0.00 H new ATOM 0 HA ARG A 55 5.546 -4.864 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.692 -2.205 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.606 -2.290 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.172 -4.083 7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.300 -3.712 6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.152 -1.239 6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.258 -1.784 8.196 1.00 0.00 H new ATOM 0 HE ARG A 55 10.126 -1.907 7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.599 -2.902 9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.357 -4.375 10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.023 -4.181 8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.332 -5.113 9.500 1.00 0.00 H new ATOM 843 N ARG A 56 4.166 -2.500 4.338 1.00 0.00 N ATOM 844 CA ARG A 56 2.888 -2.036 3.748 1.00 0.00 C ATOM 845 C ARG A 56 3.043 -2.229 2.257 1.00 0.00 C ATOM 846 O ARG A 56 2.696 -1.378 1.466 1.00 0.00 O ATOM 847 CB ARG A 56 2.678 -0.535 4.046 1.00 0.00 C ATOM 848 CG ARG A 56 2.359 -0.355 5.533 1.00 0.00 C ATOM 849 CD ARG A 56 2.026 1.117 5.804 1.00 0.00 C ATOM 850 NE ARG A 56 1.345 1.224 7.127 1.00 0.00 N ATOM 851 CZ ARG A 56 0.664 2.301 7.412 1.00 0.00 C ATOM 852 NH1 ARG A 56 0.974 3.421 6.818 1.00 0.00 N ATOM 853 NH2 ARG A 56 -0.305 2.223 8.282 1.00 0.00 N ATOM 0 H ARG A 56 4.857 -1.771 4.516 1.00 0.00 H new ATOM 0 HA ARG A 56 2.036 -2.582 4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.573 0.029 3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.864 -0.142 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.518 -0.988 5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.210 -0.665 6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.937 1.716 5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.383 1.509 5.016 1.00 0.00 H new ATOM 0 HE ARG A 56 1.411 0.463 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.738 3.446 6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.452 4.272 7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.520 1.331 8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.848 3.054 8.517 1.00 0.00 H new ATOM 867 N LYS A 57 3.627 -3.374 1.929 1.00 0.00 N ATOM 868 CA LYS A 57 3.877 -3.754 0.526 1.00 0.00 C ATOM 869 C LYS A 57 4.905 -2.809 -0.100 1.00 0.00 C ATOM 870 O LYS A 57 4.568 -1.877 -0.784 1.00 0.00 O ATOM 871 CB LYS A 57 2.560 -3.748 -0.286 1.00 0.00 C ATOM 872 CG LYS A 57 1.735 -4.994 0.071 1.00 0.00 C ATOM 873 CD LYS A 57 1.418 -4.997 1.576 1.00 0.00 C ATOM 874 CE LYS A 57 0.242 -5.941 1.844 1.00 0.00 C ATOM 875 NZ LYS A 57 0.133 -6.243 3.298 1.00 0.00 N ATOM 0 H LYS A 57 3.941 -4.065 2.611 1.00 0.00 H new ATOM 0 HA LYS A 57 4.279 -4.767 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.989 -2.845 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.778 -3.736 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.809 -5.005 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.287 -5.895 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.292 -5.317 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.173 -3.989 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.684 -5.487 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.377 -6.866 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.670 -6.884 3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.010 -6.696 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.018 -5.360 3.826 1.00 0.00 H new ATOM 889 N SER A 58 6.154 -3.078 0.212 1.00 0.00 N ATOM 890 CA SER A 58 7.291 -2.251 -0.320 1.00 0.00 C ATOM 891 C SER A 58 7.141 -0.736 -0.030 1.00 0.00 C ATOM 892 O SER A 58 7.566 -0.268 1.009 1.00 0.00 O ATOM 893 CB SER A 58 7.397 -2.501 -1.854 1.00 0.00 C ATOM 894 OG SER A 58 8.560 -3.307 -2.001 1.00 0.00 O ATOM 0 H SER A 58 6.438 -3.846 0.821 1.00 0.00 H new ATOM 0 HA SER A 58 8.201 -2.560 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.511 -3.008 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.490 -1.564 -2.404 1.00 0.00 H new ATOM 0 HG SER A 58 8.698 -3.513 -2.949 1.00 0.00 H new ATOM 900 N CYS A 59 6.540 0.002 -0.955 1.00 0.00 N ATOM 901 CA CYS A 59 6.367 1.491 -0.737 1.00 0.00 C ATOM 902 C CYS A 59 4.936 1.896 -0.802 1.00 0.00 C ATOM 903 O CYS A 59 4.166 1.378 -1.587 1.00 0.00 O ATOM 904 CB CYS A 59 7.123 2.238 -1.849 1.00 0.00 C ATOM 905 SG CYS A 59 6.481 3.862 -2.365 1.00 0.00 S ATOM 0 H CYS A 59 6.169 -0.355 -1.835 1.00 0.00 H new ATOM 0 HA CYS A 59 6.753 1.736 0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.154 2.374 -1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.150 1.593 -2.728 1.00 0.00 H new ATOM 910 N GLN A 60 4.593 2.827 0.031 1.00 0.00 N ATOM 911 CA GLN A 60 3.215 3.298 0.048 1.00 0.00 C ATOM 912 C GLN A 60 2.986 4.251 -1.111 1.00 0.00 C ATOM 913 O GLN A 60 1.886 4.391 -1.601 1.00 0.00 O ATOM 914 CB GLN A 60 2.972 4.056 1.364 1.00 0.00 C ATOM 915 CG GLN A 60 3.537 3.240 2.526 1.00 0.00 C ATOM 916 CD GLN A 60 3.136 3.902 3.845 1.00 0.00 C ATOM 917 OE1 GLN A 60 2.037 4.401 3.990 1.00 0.00 O ATOM 918 NE2 GLN A 60 3.993 3.930 4.826 1.00 0.00 N ATOM 0 H GLN A 60 5.219 3.277 0.699 1.00 0.00 H new ATOM 0 HA GLN A 60 2.537 2.449 -0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.448 5.036 1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.905 4.226 1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.158 2.219 2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.623 3.180 2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.916 3.513 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.741 4.369 5.711 1.00 0.00 H new ATOM 927 N ALA A 61 4.042 4.891 -1.551 1.00 0.00 N ATOM 928 CA ALA A 61 3.872 5.843 -2.689 1.00 0.00 C ATOM 929 C ALA A 61 3.781 5.101 -4.018 1.00 0.00 C ATOM 930 O ALA A 61 3.494 5.692 -5.037 1.00 0.00 O ATOM 931 CB ALA A 61 5.016 6.884 -2.676 1.00 0.00 C ATOM 0 H ALA A 61 4.989 4.799 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 61 2.930 6.378 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.888 7.576 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.994 7.437 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.974 6.373 -2.774 1.00 0.00 H new ATOM 937 N CYS A 62 4.026 3.803 -3.989 1.00 0.00 N ATOM 938 CA CYS A 62 3.940 3.011 -5.260 1.00 0.00 C ATOM 939 C CYS A 62 2.572 2.386 -5.290 1.00 0.00 C ATOM 940 O CYS A 62 1.861 2.481 -6.255 1.00 0.00 O ATOM 941 CB CYS A 62 4.942 1.820 -5.266 1.00 0.00 C ATOM 942 SG CYS A 62 6.710 2.107 -5.386 1.00 0.00 S ATOM 0 H CYS A 62 4.277 3.271 -3.156 1.00 0.00 H new ATOM 0 HA CYS A 62 4.152 3.675 -6.098 1.00 0.00 H new ATOM 0 HB2 CYS A 62 4.771 1.253 -4.351 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.665 1.173 -6.098 1.00 0.00 H new ATOM 947 N ARG A 63 2.247 1.724 -4.205 1.00 0.00 N ATOM 948 CA ARG A 63 0.934 1.070 -4.113 1.00 0.00 C ATOM 949 C ARG A 63 -0.141 2.094 -4.397 1.00 0.00 C ATOM 950 O ARG A 63 -1.041 1.864 -5.161 1.00 0.00 O ATOM 951 CB ARG A 63 0.757 0.550 -2.658 1.00 0.00 C ATOM 952 CG ARG A 63 -0.140 -0.699 -2.657 1.00 0.00 C ATOM 953 CD ARG A 63 -0.272 -1.236 -1.222 1.00 0.00 C ATOM 954 NE ARG A 63 -0.561 -2.700 -1.278 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.142 -3.280 -0.261 1.00 0.00 C ATOM 956 NH1 ARG A 63 -1.176 -2.654 0.885 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.669 -4.462 -0.424 1.00 0.00 N ATOM 0 H ARG A 63 2.845 1.617 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 63 0.863 0.249 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.729 0.311 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.314 1.328 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.124 -0.453 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.285 -1.465 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.647 -1.054 -0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.071 -0.714 -0.696 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.307 -3.243 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.754 -1.730 0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.625 -3.089 1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.624 -4.919 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.126 -4.929 0.359 1.00 0.00 H new ATOM 971 N LEU A 64 -0.024 3.205 -3.724 1.00 0.00 N ATOM 972 CA LEU A 64 -0.999 4.289 -3.905 1.00 0.00 C ATOM 973 C LEU A 64 -0.950 4.806 -5.327 1.00 0.00 C ATOM 974 O LEU A 64 -1.937 4.834 -6.025 1.00 0.00 O ATOM 975 CB LEU A 64 -0.592 5.438 -2.987 1.00 0.00 C ATOM 976 CG LEU A 64 -1.663 6.557 -3.018 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.016 6.017 -2.408 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.143 7.767 -2.173 1.00 0.00 C ATOM 0 H LEU A 64 0.718 3.400 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.000 3.918 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.468 5.072 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.372 5.839 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.844 6.873 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.767 6.807 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.365 5.167 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.851 5.704 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.886 8.565 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.971 7.446 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.210 8.134 -2.600 1.00 0.00 H new ATOM 990 N ARG A 65 0.211 5.228 -5.733 1.00 0.00 N ATOM 991 CA ARG A 65 0.337 5.744 -7.102 1.00 0.00 C ATOM 992 C ARG A 65 -0.137 4.694 -8.059 1.00 0.00 C ATOM 993 O ARG A 65 -0.681 4.997 -9.103 1.00 0.00 O ATOM 994 CB ARG A 65 1.836 6.075 -7.360 1.00 0.00 C ATOM 995 CG ARG A 65 2.025 6.657 -8.789 1.00 0.00 C ATOM 996 CD ARG A 65 1.710 8.169 -8.792 1.00 0.00 C ATOM 997 NE ARG A 65 1.183 8.544 -10.144 1.00 0.00 N ATOM 998 CZ ARG A 65 1.388 9.751 -10.609 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.584 10.073 -11.023 1.00 0.00 N ATOM 1000 NH2 ARG A 65 0.391 10.592 -10.644 1.00 0.00 N ATOM 0 H ARG A 65 1.065 5.235 -5.176 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.263 6.643 -7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.189 6.792 -6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.439 5.174 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.048 6.490 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.370 6.140 -9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.976 8.404 -8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.608 8.743 -8.563 1.00 0.00 H new ATOM 0 HE ARG A 65 0.667 7.862 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.340 9.389 -10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.763 11.008 -11.388 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.530 10.305 -10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.533 11.536 -11.003 1.00 0.00 H new ATOM 1014 N LYS A 66 0.069 3.472 -7.696 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.369 2.407 -8.573 1.00 0.00 C ATOM 1016 C LYS A 66 -1.861 2.351 -8.486 1.00 0.00 C ATOM 1017 O LYS A 66 -2.540 2.342 -9.479 1.00 0.00 O ATOM 1018 CB LYS A 66 0.222 1.071 -8.075 1.00 0.00 C ATOM 1019 CG LYS A 66 1.699 0.954 -8.520 1.00 0.00 C ATOM 1020 CD LYS A 66 1.770 0.356 -9.931 1.00 0.00 C ATOM 1021 CE LYS A 66 3.236 0.208 -10.335 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.344 -0.288 -11.734 1.00 0.00 N ATOM 0 H LYS A 66 0.521 3.179 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.044 2.581 -9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.154 1.015 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.355 0.236 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.171 1.936 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.251 0.326 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.273 -0.614 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.247 0.999 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.743 1.168 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.738 -0.483 -9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.347 -0.383 -11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.878 -1.214 -11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.883 0.386 -12.378 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.351 2.403 -7.271 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.800 2.352 -7.078 1.00 0.00 C ATOM 1038 C CYS A 67 -4.470 3.410 -7.922 1.00 0.00 C ATOM 1039 O CYS A 67 -5.539 3.199 -8.445 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.109 2.598 -5.597 1.00 0.00 C ATOM 1041 SG CYS A 67 -3.680 1.284 -4.429 1.00 0.00 S ATOM 0 H CYS A 67 -1.797 2.478 -6.418 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.177 1.374 -7.379 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.588 3.505 -5.290 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.177 2.796 -5.504 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.389 1.137 -4.396 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.846 4.550 -8.037 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.473 5.603 -8.860 1.00 0.00 C ATOM 1049 C TYR A 68 -4.245 5.267 -10.323 1.00 0.00 C ATOM 1050 O TYR A 68 -5.017 5.645 -11.182 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.812 6.960 -8.538 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.117 7.432 -7.072 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.397 7.321 -6.502 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.126 8.065 -6.327 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.650 7.833 -5.244 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.411 8.582 -5.078 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.663 8.461 -4.536 1.00 0.00 C ATOM 1058 OH TYR A 68 -4.914 8.939 -3.287 1.00 0.00 O ATOM 0 H TYR A 68 -2.953 4.788 -7.606 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.541 5.662 -8.650 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.734 6.879 -8.676 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.168 7.712 -9.242 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.188 6.832 -7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.127 8.153 -6.728 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.637 7.736 -4.816 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.636 9.088 -4.522 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.139 9.448 -2.970 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.179 4.562 -10.577 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.873 4.180 -11.975 1.00 0.00 C ATOM 1070 C GLU A 69 -3.854 3.129 -12.433 1.00 0.00 C ATOM 1071 O GLU A 69 -4.207 3.036 -13.593 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.447 3.602 -12.012 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.899 3.695 -13.436 1.00 0.00 C ATOM 1074 CD GLU A 69 0.555 3.221 -13.444 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.800 2.215 -12.798 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.341 3.891 -14.095 1.00 0.00 O ATOM 0 H GLU A 69 -2.511 4.237 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.947 5.047 -12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.802 4.151 -11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.455 2.564 -11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.498 3.083 -14.110 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.962 4.722 -13.797 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.260 2.371 -11.497 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.234 1.281 -11.768 1.00 0.00 C ATOM 1085 C VAL A 70 -6.537 1.884 -12.229 1.00 0.00 C ATOM 1086 O VAL A 70 -7.380 1.221 -12.801 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.493 0.528 -10.417 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.656 -0.468 -10.529 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.283 -0.271 -10.006 1.00 0.00 C ATOM 0 H VAL A 70 -3.962 2.447 -10.524 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.847 0.606 -12.531 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.726 1.301 -9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.801 -0.967 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.567 0.065 -10.802 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.427 -1.210 -11.294 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.488 -0.784 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.053 -1.006 -10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.432 0.398 -9.876 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.654 3.143 -12.010 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.903 3.838 -12.417 1.00 0.00 C ATOM 1101 C GLY A 71 -8.983 3.349 -11.463 1.00 0.00 C ATOM 1102 O GLY A 71 -10.044 2.912 -11.866 1.00 0.00 O ATOM 0 H GLY A 71 -5.947 3.731 -11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.786 4.920 -12.353 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.160 3.605 -13.450 1.00 0.00 H new ATOM 1106 N MET A 72 -8.665 3.444 -10.199 1.00 0.00 N ATOM 1107 CA MET A 72 -9.607 2.999 -9.145 1.00 0.00 C ATOM 1108 C MET A 72 -10.638 4.035 -8.740 1.00 0.00 C ATOM 1109 O MET A 72 -11.744 4.071 -9.230 1.00 0.00 O ATOM 1110 CB MET A 72 -8.745 2.725 -7.882 1.00 0.00 C ATOM 1111 CG MET A 72 -8.000 1.435 -8.059 1.00 0.00 C ATOM 1112 SD MET A 72 -8.771 0.036 -7.342 1.00 0.00 S ATOM 1113 CE MET A 72 -7.751 -0.162 -5.991 1.00 0.00 C ATOM 0 H MET A 72 -7.780 3.816 -9.854 1.00 0.00 H new ATOM 0 HA MET A 72 -10.151 2.140 -9.538 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.044 3.544 -7.722 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.381 2.672 -6.998 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.867 1.252 -9.125 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.005 1.545 -7.628 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.985 -1.103 -5.493 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.711 -0.173 -6.318 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.904 0.664 -5.296 1.00 0.00 H new ATOM 1123 N MET A 73 -10.199 4.817 -7.806 1.00 0.00 N ATOM 1124 CA MET A 73 -10.988 5.902 -7.219 1.00 0.00 C ATOM 1125 C MET A 73 -11.983 5.289 -6.283 1.00 0.00 C ATOM 1126 O MET A 73 -12.847 4.537 -6.689 1.00 0.00 O ATOM 1127 CB MET A 73 -11.715 6.744 -8.273 1.00 0.00 C ATOM 1128 CG MET A 73 -10.694 7.346 -9.253 1.00 0.00 C ATOM 1129 SD MET A 73 -10.017 6.265 -10.539 1.00 0.00 S ATOM 1130 CE MET A 73 -9.236 7.558 -11.534 1.00 0.00 C ATOM 0 H MET A 73 -9.264 4.734 -7.408 1.00 0.00 H new ATOM 0 HA MET A 73 -10.312 6.579 -6.697 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.432 6.126 -8.814 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.281 7.540 -7.789 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.164 8.198 -9.745 1.00 0.00 H new ATOM 0 HG3 MET A 73 -9.860 7.735 -8.670 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.748 7.107 -12.398 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.994 8.264 -11.873 1.00 0.00 H new ATOM 0 HE3 MET A 73 -8.495 8.083 -10.931 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.822 5.607 -5.036 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.730 5.069 -3.994 1.00 0.00 C ATOM 1142 C LYS A 74 -14.163 4.885 -4.520 1.00 0.00 C ATOM 1143 O LYS A 74 -14.873 3.992 -4.100 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.755 6.062 -2.807 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.850 5.656 -1.804 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.652 6.441 -0.508 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.804 6.129 0.449 1.00 0.00 C ATOM 1148 NZ LYS A 74 -14.547 6.729 1.787 1.00 0.00 N ATOM 0 H LYS A 74 -11.089 6.226 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.359 4.091 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.784 6.075 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.940 7.072 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.837 5.859 -2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.802 4.585 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.700 6.175 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.617 7.510 -0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.738 6.518 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.923 5.050 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.338 6.508 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.667 6.338 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.456 7.761 1.693 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.551 5.738 -5.429 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.926 5.632 -5.994 1.00 0.00 C ATOM 1164 C GLY A 75 -16.302 6.919 -6.734 1.00 0.00 C ATOM 1165 O GLY A 75 -17.496 7.154 -6.842 1.00 0.00 O ATOM 1166 OXT GLY A 75 -15.375 7.595 -7.150 1.00 0.00 O ATOM 0 H GLY A 75 -13.981 6.497 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.981 4.784 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.641 5.444 -5.193 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -2.837 -6.094 -4.072 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 7.470 4.010 -4.416 1.00 0.00 ZN