USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -3.79! K(o=-3.8!,f=-0.7) USER MOD Single : A 23 THR OG1 : rot 100:sc= -3.59! USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= -0.245 (180deg=-1.22!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -47:sc= -0.639! USER MOD Single : A 40 MET CE :methyl -166:sc= -1.05 (180deg=-1.67!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -136:sc= -1.18! (180deg=-3.31!) USER MOD Single : A 44 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.27) USER MOD Single : A 46 MET CE :methyl -169:sc= -1.33 (180deg=-1.39) USER MOD Single : A 52 GLN : amide:sc= 0.0895 X(o=0.09,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -7.98! C(o=-8!,f=-9.9!) USER MOD Single : A 65 ASN : amide:sc= -2.79! C(o=-2.8!,f=-3.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.569 USER MOD Single : A 69 SER OG : rot 180:sc= -0.177! USER MOD Single : A 70 TYR OH : rot -15:sc= -0.0599 USER MOD Single : A 78 HIS : no HD1:sc= -6.75! C(o=-6.7!,f=-9.7!) USER MOD Single : A 79 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.077) USER MOD Single : A 81 SER OG : rot 156:sc= -1.55! USER MOD Single : A 83 ASN : amide:sc= -0.466! K(o=-0.47!,f=-1.4) USER MOD Single : A 85 SER OG : rot -71:sc= -2.29! USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -4.324 24.785 -11.414 1.00 0.00 N ATOM 16 CA ASP A 4 -3.278 23.890 -11.895 1.00 0.00 C ATOM 17 C ASP A 4 -1.916 24.303 -11.345 1.00 0.00 C ATOM 18 O ASP A 4 -1.051 24.773 -12.084 1.00 0.00 O ATOM 19 CB ASP A 4 -3.244 23.886 -13.424 1.00 0.00 C ATOM 20 CG ASP A 4 -2.168 22.972 -13.977 1.00 0.00 C ATOM 21 OD1 ASP A 4 -1.447 22.348 -13.169 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.046 22.879 -15.216 1.00 0.00 O ATOM 0 HA ASP A 4 -3.503 22.884 -11.542 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.215 23.571 -13.805 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.074 24.901 -13.783 1.00 0.00 H new ATOM 27 N ILE A 5 -1.733 24.119 -10.042 1.00 0.00 N ATOM 28 CA ILE A 5 -0.479 24.466 -9.385 1.00 0.00 C ATOM 29 C ILE A 5 0.428 23.241 -9.290 1.00 0.00 C ATOM 30 O ILE A 5 -0.050 22.108 -9.272 1.00 0.00 O ATOM 31 CB ILE A 5 -0.738 25.043 -7.974 1.00 0.00 C ATOM 32 CG1 ILE A 5 0.512 24.943 -7.097 1.00 0.00 C ATOM 33 CG2 ILE A 5 -1.905 24.324 -7.315 1.00 0.00 C ATOM 34 CD1 ILE A 5 0.668 23.593 -6.436 1.00 0.00 C ATOM 0 H ILE A 5 -2.440 23.730 -9.418 1.00 0.00 H new ATOM 0 HA ILE A 5 0.017 25.229 -9.984 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.989 26.098 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.393 25.146 -7.706 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.471 25.714 -6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.076 24.741 -6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.801 24.453 -7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.676 23.262 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.573 23.588 -5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.196 23.397 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.740 22.820 -7.201 1.00 0.00 H new ATOM 46 N ASP A 6 1.737 23.472 -9.239 1.00 0.00 N ATOM 47 CA ASP A 6 2.696 22.376 -9.156 1.00 0.00 C ATOM 48 C ASP A 6 2.626 21.682 -7.800 1.00 0.00 C ATOM 49 O ASP A 6 3.321 22.063 -6.859 1.00 0.00 O ATOM 50 CB ASP A 6 4.116 22.879 -9.404 1.00 0.00 C ATOM 51 CG ASP A 6 5.087 21.740 -9.647 1.00 0.00 C ATOM 52 OD1 ASP A 6 4.797 20.609 -9.196 1.00 0.00 O ATOM 53 OD2 ASP A 6 6.133 21.976 -10.285 1.00 0.00 O ATOM 0 H ASP A 6 2.155 24.402 -9.254 1.00 0.00 H new ATOM 0 HA ASP A 6 2.434 21.654 -9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.119 23.548 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.449 23.463 -8.546 1.00 0.00 H new ATOM 58 N GLU A 7 1.788 20.655 -7.712 1.00 0.00 N ATOM 59 CA GLU A 7 1.631 19.901 -6.476 1.00 0.00 C ATOM 60 C GLU A 7 2.841 19.006 -6.234 1.00 0.00 C ATOM 61 O GLU A 7 3.096 18.582 -5.108 1.00 0.00 O ATOM 62 CB GLU A 7 0.363 19.047 -6.530 1.00 0.00 C ATOM 63 CG GLU A 7 -0.879 19.808 -6.973 1.00 0.00 C ATOM 64 CD GLU A 7 -1.019 19.881 -8.481 1.00 0.00 C ATOM 65 OE1 GLU A 7 -0.072 19.469 -9.186 1.00 0.00 O ATOM 66 OE2 GLU A 7 -2.073 20.349 -8.958 1.00 0.00 O ATOM 0 H GLU A 7 1.207 20.326 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 7 1.549 20.612 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.528 18.213 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.182 18.621 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.763 19.327 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.844 20.819 -6.567 1.00 0.00 H new ATOM 73 N CYS A 8 3.586 18.722 -7.299 1.00 0.00 N ATOM 74 CA CYS A 8 4.770 17.878 -7.198 1.00 0.00 C ATOM 75 C CYS A 8 5.948 18.675 -6.653 1.00 0.00 C ATOM 76 O CYS A 8 6.760 18.158 -5.887 1.00 0.00 O ATOM 77 CB CYS A 8 5.119 17.284 -8.564 1.00 0.00 C ATOM 78 SG CYS A 8 6.611 16.235 -8.568 1.00 0.00 S ATOM 0 H CYS A 8 3.390 19.064 -8.240 1.00 0.00 H new ATOM 0 HA CYS A 8 4.554 17.062 -6.508 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.273 16.694 -8.917 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.259 18.098 -9.276 1.00 0.00 H new ATOM 83 N ARG A 9 6.026 19.943 -7.045 1.00 0.00 N ATOM 84 CA ARG A 9 7.096 20.815 -6.582 1.00 0.00 C ATOM 85 C ARG A 9 6.977 21.040 -5.081 1.00 0.00 C ATOM 86 O ARG A 9 7.950 21.393 -4.415 1.00 0.00 O ATOM 87 CB ARG A 9 7.049 22.153 -7.320 1.00 0.00 C ATOM 88 CG ARG A 9 8.233 23.058 -7.016 1.00 0.00 C ATOM 89 CD ARG A 9 8.746 23.744 -8.272 1.00 0.00 C ATOM 90 NE ARG A 9 9.307 25.061 -7.985 1.00 0.00 N ATOM 91 CZ ARG A 9 10.576 25.264 -7.643 1.00 0.00 C ATOM 92 NH1 ARG A 9 11.410 24.237 -7.543 1.00 0.00 N ATOM 93 NH2 ARG A 9 11.010 26.492 -7.400 1.00 0.00 N ATOM 0 H ARG A 9 5.363 20.387 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 9 8.052 20.335 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.012 21.965 -8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.128 22.672 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.939 23.810 -6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.035 22.472 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.507 23.120 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.931 23.845 -8.989 1.00 0.00 H new ATOM 0 HE ARG A 9 8.691 25.871 -8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.078 23.291 -7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.383 24.394 -7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.371 27.283 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.984 26.646 -7.138 1.00 0.00 H new ATOM 107 N ILE A 10 5.776 20.822 -4.555 1.00 0.00 N ATOM 108 CA ILE A 10 5.521 20.991 -3.132 1.00 0.00 C ATOM 109 C ILE A 10 6.530 20.208 -2.304 1.00 0.00 C ATOM 110 O ILE A 10 7.085 20.720 -1.333 1.00 0.00 O ATOM 111 CB ILE A 10 4.101 20.524 -2.761 1.00 0.00 C ATOM 112 CG1 ILE A 10 3.058 21.470 -3.360 1.00 0.00 C ATOM 113 CG2 ILE A 10 3.945 20.437 -1.250 1.00 0.00 C ATOM 114 CD1 ILE A 10 2.939 22.783 -2.619 1.00 0.00 C ATOM 0 H ILE A 10 4.963 20.527 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 10 5.617 22.054 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 10 3.942 19.529 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.316 21.671 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.088 20.974 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.935 20.106 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.667 19.725 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.121 21.418 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.182 23.404 -3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.651 22.593 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.898 23.300 -2.639 1.00 0.00 H new ATOM 126 N SER A 11 6.757 18.961 -2.696 1.00 0.00 N ATOM 127 CA SER A 11 7.695 18.100 -1.992 1.00 0.00 C ATOM 128 C SER A 11 8.091 16.903 -2.853 1.00 0.00 C ATOM 129 O SER A 11 7.339 16.482 -3.731 1.00 0.00 O ATOM 130 CB SER A 11 7.074 17.616 -0.683 1.00 0.00 C ATOM 131 OG SER A 11 7.945 17.845 0.411 1.00 0.00 O ATOM 0 H SER A 11 6.303 18.524 -3.498 1.00 0.00 H new ATOM 0 HA SER A 11 8.594 18.678 -1.775 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.129 18.131 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.848 16.552 -0.756 1.00 0.00 H new ATOM 0 HG SER A 11 7.523 17.528 1.237 1.00 0.00 H new ATOM 137 N PRO A 12 9.283 16.339 -2.604 1.00 0.00 N ATOM 138 CA PRO A 12 9.792 15.190 -3.338 1.00 0.00 C ATOM 139 C PRO A 12 9.326 13.878 -2.724 1.00 0.00 C ATOM 140 O PRO A 12 9.349 12.830 -3.370 1.00 0.00 O ATOM 141 CB PRO A 12 11.316 15.328 -3.206 1.00 0.00 C ATOM 142 CG PRO A 12 11.560 16.434 -2.218 1.00 0.00 C ATOM 143 CD PRO A 12 10.235 16.765 -1.584 1.00 0.00 C ATOM 0 HA PRO A 12 9.443 15.172 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.762 14.395 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.769 15.561 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.281 16.123 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.978 17.309 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.090 16.231 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.145 17.829 -1.363 1.00 0.00 H new ATOM 151 N ASP A 13 8.898 13.948 -1.468 1.00 0.00 N ATOM 152 CA ASP A 13 8.419 12.773 -0.755 1.00 0.00 C ATOM 153 C ASP A 13 6.908 12.839 -0.579 1.00 0.00 C ATOM 154 O ASP A 13 6.344 12.191 0.301 1.00 0.00 O ATOM 155 CB ASP A 13 9.101 12.664 0.611 1.00 0.00 C ATOM 156 CG ASP A 13 9.564 11.252 0.915 1.00 0.00 C ATOM 157 OD1 ASP A 13 9.463 10.389 0.018 1.00 0.00 O ATOM 158 OD2 ASP A 13 10.029 11.011 2.048 1.00 0.00 O ATOM 0 H ASP A 13 8.874 14.810 -0.923 1.00 0.00 H new ATOM 0 HA ASP A 13 8.666 11.889 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.957 13.339 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.409 12.991 1.387 1.00 0.00 H new ATOM 163 N LEU A 14 6.261 13.633 -1.425 1.00 0.00 N ATOM 164 CA LEU A 14 4.812 13.791 -1.367 1.00 0.00 C ATOM 165 C LEU A 14 4.128 12.457 -1.086 1.00 0.00 C ATOM 166 O LEU A 14 3.309 12.347 -0.174 1.00 0.00 O ATOM 167 CB LEU A 14 4.289 14.377 -2.681 1.00 0.00 C ATOM 168 CG LEU A 14 3.420 15.626 -2.532 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.825 16.679 -3.550 1.00 0.00 C ATOM 170 CD2 LEU A 14 1.949 15.273 -2.686 1.00 0.00 C ATOM 0 H LEU A 14 6.716 14.177 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 14 4.580 14.476 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.140 14.619 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.712 13.611 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 14 3.572 16.035 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.197 17.562 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.869 16.953 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.701 16.279 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.345 16.174 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.780 14.840 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.666 14.552 -1.920 1.00 0.00 H new ATOM 182 N CYS A 15 4.471 11.448 -1.876 1.00 0.00 N ATOM 183 CA CYS A 15 3.892 10.118 -1.717 1.00 0.00 C ATOM 184 C CYS A 15 4.789 9.232 -0.859 1.00 0.00 C ATOM 185 O CYS A 15 4.655 8.008 -0.858 1.00 0.00 O ATOM 186 CB CYS A 15 3.670 9.469 -3.084 1.00 0.00 C ATOM 187 SG CYS A 15 2.124 9.977 -3.902 1.00 0.00 S ATOM 0 H CYS A 15 5.148 11.524 -2.635 1.00 0.00 H new ATOM 0 HA CYS A 15 2.931 10.225 -1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.510 9.716 -3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.667 8.386 -2.964 1.00 0.00 H new ATOM 192 N GLY A 16 5.702 9.861 -0.128 1.00 0.00 N ATOM 193 CA GLY A 16 6.609 9.125 0.731 1.00 0.00 C ATOM 194 C GLY A 16 7.603 8.278 -0.044 1.00 0.00 C ATOM 195 O GLY A 16 8.397 7.549 0.550 1.00 0.00 O ATOM 0 H GLY A 16 5.830 10.873 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.153 9.827 1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.031 8.482 1.394 1.00 0.00 H new ATOM 199 N ARG A 17 7.562 8.371 -1.371 1.00 0.00 N ATOM 200 CA ARG A 17 8.468 7.604 -2.220 1.00 0.00 C ATOM 201 C ARG A 17 8.133 7.801 -3.694 1.00 0.00 C ATOM 202 O ARG A 17 9.001 8.139 -4.501 1.00 0.00 O ATOM 203 CB ARG A 17 8.395 6.115 -1.867 1.00 0.00 C ATOM 204 CG ARG A 17 9.713 5.382 -2.048 1.00 0.00 C ATOM 205 CD ARG A 17 10.858 6.117 -1.369 1.00 0.00 C ATOM 206 NE ARG A 17 11.829 6.625 -2.334 1.00 0.00 N ATOM 207 CZ ARG A 17 12.683 5.852 -2.996 1.00 0.00 C ATOM 208 NH1 ARG A 17 12.685 4.542 -2.796 1.00 0.00 N ATOM 209 NH2 ARG A 17 13.537 6.389 -3.857 1.00 0.00 N ATOM 0 H ARG A 17 6.912 8.969 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 17 9.481 7.966 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.070 6.011 -0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.636 5.640 -2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.630 4.376 -1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.928 5.275 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.460 6.946 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.358 5.445 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 17 11.853 7.629 -2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.030 4.126 -2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.341 3.949 -3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.539 7.397 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.192 5.794 -4.364 1.00 0.00 H new ATOM 223 N GLY A 18 6.870 7.582 -4.038 1.00 0.00 N ATOM 224 CA GLY A 18 6.433 7.732 -5.414 1.00 0.00 C ATOM 225 C GLY A 18 6.901 9.031 -6.041 1.00 0.00 C ATOM 226 O GLY A 18 7.521 9.863 -5.377 1.00 0.00 O ATOM 0 H GLY A 18 6.137 7.302 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.807 6.894 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.345 7.687 -5.452 1.00 0.00 H new ATOM 230 N GLN A 19 6.601 9.201 -7.324 1.00 0.00 N ATOM 231 CA GLN A 19 6.992 10.403 -8.051 1.00 0.00 C ATOM 232 C GLN A 19 5.787 11.308 -8.290 1.00 0.00 C ATOM 233 O GLN A 19 4.945 11.022 -9.140 1.00 0.00 O ATOM 234 CB GLN A 19 7.629 10.023 -9.389 1.00 0.00 C ATOM 235 CG GLN A 19 9.005 9.392 -9.249 1.00 0.00 C ATOM 236 CD GLN A 19 9.929 9.751 -10.396 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.857 10.544 -10.236 1.00 0.00 O ATOM 238 NE2 GLN A 19 9.679 9.169 -11.562 1.00 0.00 N ATOM 0 H GLN A 19 6.087 8.520 -7.883 1.00 0.00 H new ATOM 0 HA GLN A 19 7.719 10.946 -7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.971 9.328 -9.911 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.709 10.915 -10.011 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.455 9.714 -8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.900 8.308 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.899 8.518 -11.650 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.267 9.373 -12.370 1.00 0.00 H new ATOM 247 N CYS A 20 5.706 12.397 -7.531 1.00 0.00 N ATOM 248 CA CYS A 20 4.597 13.336 -7.662 1.00 0.00 C ATOM 249 C CYS A 20 4.409 13.783 -9.108 1.00 0.00 C ATOM 250 O CYS A 20 5.371 14.121 -9.798 1.00 0.00 O ATOM 251 CB CYS A 20 4.819 14.558 -6.767 1.00 0.00 C ATOM 252 SG CYS A 20 6.517 15.222 -6.809 1.00 0.00 S ATOM 0 H CYS A 20 6.393 12.650 -6.821 1.00 0.00 H new ATOM 0 HA CYS A 20 3.692 12.818 -7.345 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.127 15.344 -7.068 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.571 14.291 -5.740 1.00 0.00 H new ATOM 257 N VAL A 21 3.156 13.792 -9.550 1.00 0.00 N ATOM 258 CA VAL A 21 2.816 14.207 -10.906 1.00 0.00 C ATOM 259 C VAL A 21 1.904 15.429 -10.870 1.00 0.00 C ATOM 260 O VAL A 21 1.326 15.747 -9.833 1.00 0.00 O ATOM 261 CB VAL A 21 2.122 13.075 -11.688 1.00 0.00 C ATOM 262 CG1 VAL A 21 1.432 13.620 -12.932 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.125 11.993 -12.059 1.00 0.00 C ATOM 0 H VAL A 21 2.354 13.514 -8.984 1.00 0.00 H new ATOM 0 HA VAL A 21 3.747 14.456 -11.415 1.00 0.00 H new ATOM 0 HB VAL A 21 1.360 12.633 -11.046 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.949 12.803 -13.468 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.682 14.355 -12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.170 14.093 -13.580 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.618 11.201 -12.611 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.911 12.423 -12.680 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.565 11.579 -11.152 1.00 0.00 H new ATOM 273 N ASN A 22 1.779 16.108 -12.003 1.00 0.00 N ATOM 274 CA ASN A 22 0.940 17.296 -12.088 1.00 0.00 C ATOM 275 C ASN A 22 -0.350 17.020 -12.853 1.00 0.00 C ATOM 276 O ASN A 22 -0.359 16.276 -13.834 1.00 0.00 O ATOM 277 CB ASN A 22 1.703 18.434 -12.763 1.00 0.00 C ATOM 278 CG ASN A 22 1.120 19.788 -12.419 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.447 20.414 -13.237 1.00 0.00 O ATOM 280 ND2 ASN A 22 1.374 20.243 -11.202 1.00 0.00 N ATOM 0 H ASN A 22 2.247 15.857 -12.874 1.00 0.00 H new ATOM 0 HA ASN A 22 0.676 17.585 -11.071 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.749 18.401 -12.457 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.682 18.294 -13.844 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.006 21.148 -10.909 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.937 19.688 -10.557 1.00 0.00 H new ATOM 287 N THR A 23 -1.438 17.636 -12.398 1.00 0.00 N ATOM 288 CA THR A 23 -2.736 17.474 -13.037 1.00 0.00 C ATOM 289 C THR A 23 -3.581 18.731 -12.865 1.00 0.00 C ATOM 290 O THR A 23 -3.362 19.515 -11.941 1.00 0.00 O ATOM 291 CB THR A 23 -3.503 16.268 -12.462 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.242 16.665 -11.300 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.548 15.141 -12.099 1.00 0.00 C ATOM 0 H THR A 23 -1.444 18.254 -11.586 1.00 0.00 H new ATOM 0 HA THR A 23 -2.552 17.299 -14.097 1.00 0.00 H new ATOM 0 HB THR A 23 -4.192 15.908 -13.226 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.180 16.811 -11.543 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.113 14.301 -11.695 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.008 14.820 -12.990 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.837 15.493 -11.351 1.00 0.00 H new ATOM 301 N PRO A 24 -4.565 18.938 -13.752 1.00 0.00 N ATOM 302 CA PRO A 24 -5.450 20.104 -13.694 1.00 0.00 C ATOM 303 C PRO A 24 -6.181 20.195 -12.361 1.00 0.00 C ATOM 304 O PRO A 24 -7.029 19.357 -12.051 1.00 0.00 O ATOM 305 CB PRO A 24 -6.444 19.871 -14.840 1.00 0.00 C ATOM 306 CG PRO A 24 -6.314 18.426 -15.188 1.00 0.00 C ATOM 307 CD PRO A 24 -4.894 18.051 -14.876 1.00 0.00 C ATOM 0 HA PRO A 24 -4.898 21.039 -13.788 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.462 20.111 -14.533 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.212 20.504 -15.696 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.013 17.821 -14.610 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.540 18.256 -16.241 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.804 17.000 -14.602 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.235 18.216 -15.728 1.00 0.00 H new ATOM 315 N GLY A 25 -5.841 21.206 -11.569 1.00 0.00 N ATOM 316 CA GLY A 25 -6.473 21.369 -10.274 1.00 0.00 C ATOM 317 C GLY A 25 -6.375 20.109 -9.441 1.00 0.00 C ATOM 318 O GLY A 25 -7.351 19.686 -8.819 1.00 0.00 O ATOM 0 H GLY A 25 -5.142 21.912 -11.800 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.003 22.195 -9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.521 21.634 -10.411 1.00 0.00 H new ATOM 322 N ASP A 26 -5.193 19.507 -9.437 1.00 0.00 N ATOM 323 CA ASP A 26 -4.956 18.281 -8.687 1.00 0.00 C ATOM 324 C ASP A 26 -3.591 17.697 -9.035 1.00 0.00 C ATOM 325 O ASP A 26 -2.821 18.299 -9.787 1.00 0.00 O ATOM 326 CB ASP A 26 -6.050 17.259 -8.983 1.00 0.00 C ATOM 327 CG ASP A 26 -6.831 16.872 -7.742 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.198 16.477 -6.741 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.077 16.964 -7.772 1.00 0.00 O ATOM 0 H ASP A 26 -4.380 19.850 -9.948 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.974 18.520 -7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.734 17.668 -9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.601 16.367 -9.420 1.00 0.00 H new ATOM 334 N PHE A 27 -3.290 16.526 -8.484 1.00 0.00 N ATOM 335 CA PHE A 27 -2.010 15.881 -8.743 1.00 0.00 C ATOM 336 C PHE A 27 -2.057 14.391 -8.433 1.00 0.00 C ATOM 337 O PHE A 27 -2.990 13.900 -7.798 1.00 0.00 O ATOM 338 CB PHE A 27 -0.918 16.547 -7.910 1.00 0.00 C ATOM 339 CG PHE A 27 -0.962 16.184 -6.453 1.00 0.00 C ATOM 340 CD1 PHE A 27 -1.804 16.857 -5.582 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.156 15.173 -5.954 1.00 0.00 C ATOM 342 CE1 PHE A 27 -1.843 16.528 -4.241 1.00 0.00 C ATOM 343 CE2 PHE A 27 -0.190 14.840 -4.613 1.00 0.00 C ATOM 344 CZ PHE A 27 -1.034 15.518 -3.756 1.00 0.00 C ATOM 0 H PHE A 27 -3.910 16.009 -7.861 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.788 15.995 -9.804 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.055 16.270 -8.315 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.008 17.629 -8.008 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.437 17.648 -5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.506 14.640 -6.620 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.505 17.059 -3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.443 14.050 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.062 15.259 -2.708 1.00 0.00 H new ATOM 354 N GLU A 28 -1.027 13.684 -8.883 1.00 0.00 N ATOM 355 CA GLU A 28 -0.914 12.249 -8.660 1.00 0.00 C ATOM 356 C GLU A 28 0.546 11.882 -8.426 1.00 0.00 C ATOM 357 O GLU A 28 1.372 12.757 -8.175 1.00 0.00 O ATOM 358 CB GLU A 28 -1.473 11.476 -9.857 1.00 0.00 C ATOM 359 CG GLU A 28 -0.834 11.860 -11.182 1.00 0.00 C ATOM 360 CD GLU A 28 -1.767 11.658 -12.360 1.00 0.00 C ATOM 361 OE1 GLU A 28 -2.849 12.282 -12.373 1.00 0.00 O ATOM 362 OE2 GLU A 28 -1.415 10.877 -13.268 1.00 0.00 O ATOM 0 H GLU A 28 -0.252 14.087 -9.409 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.496 11.979 -7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.328 10.409 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.548 11.646 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.525 12.905 -11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.068 11.266 -11.332 1.00 0.00 H new ATOM 369 N CYS A 29 0.871 10.597 -8.506 1.00 0.00 N ATOM 370 CA CYS A 29 2.248 10.167 -8.298 1.00 0.00 C ATOM 371 C CYS A 29 2.442 8.699 -8.656 1.00 0.00 C ATOM 372 O CYS A 29 1.479 7.956 -8.845 1.00 0.00 O ATOM 373 CB CYS A 29 2.665 10.407 -6.849 1.00 0.00 C ATOM 374 SG CYS A 29 2.209 9.061 -5.709 1.00 0.00 S ATOM 0 H CYS A 29 0.212 9.846 -8.710 1.00 0.00 H new ATOM 0 HA CYS A 29 2.879 10.760 -8.960 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.745 10.549 -6.812 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.209 11.334 -6.500 1.00 0.00 H new ATOM 379 N LYS A 30 3.705 8.293 -8.732 1.00 0.00 N ATOM 380 CA LYS A 30 4.056 6.917 -9.050 1.00 0.00 C ATOM 381 C LYS A 30 4.732 6.257 -7.853 1.00 0.00 C ATOM 382 O LYS A 30 5.959 6.194 -7.779 1.00 0.00 O ATOM 383 CB LYS A 30 4.982 6.872 -10.266 1.00 0.00 C ATOM 384 CG LYS A 30 4.906 5.569 -11.044 1.00 0.00 C ATOM 385 CD LYS A 30 5.209 4.372 -10.157 1.00 0.00 C ATOM 386 CE LYS A 30 6.044 3.334 -10.889 1.00 0.00 C ATOM 387 NZ LYS A 30 7.306 3.914 -11.426 1.00 0.00 N ATOM 0 H LYS A 30 4.507 8.904 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 30 3.143 6.371 -9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.732 7.698 -10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.009 7.028 -9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.912 5.460 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.613 5.597 -11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.740 4.704 -9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.275 3.920 -9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.281 2.515 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.462 2.911 -11.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.047 3.185 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.146 4.256 -12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.607 4.707 -10.824 1.00 0.00 H new ATOM 401 N CYS A 31 3.922 5.781 -6.913 1.00 0.00 N ATOM 402 CA CYS A 31 4.436 5.138 -5.710 1.00 0.00 C ATOM 403 C CYS A 31 5.647 4.265 -6.024 1.00 0.00 C ATOM 404 O CYS A 31 5.915 3.946 -7.182 1.00 0.00 O ATOM 405 CB CYS A 31 3.344 4.295 -5.044 1.00 0.00 C ATOM 406 SG CYS A 31 2.911 4.812 -3.346 1.00 0.00 S ATOM 0 H CYS A 31 2.904 5.829 -6.962 1.00 0.00 H new ATOM 0 HA CYS A 31 4.749 5.924 -5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.446 4.334 -5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.670 3.255 -5.021 1.00 0.00 H new ATOM 411 N ASP A 32 6.374 3.885 -4.980 1.00 0.00 N ATOM 412 CA ASP A 32 7.562 3.054 -5.128 1.00 0.00 C ATOM 413 C ASP A 32 7.186 1.590 -5.369 1.00 0.00 C ATOM 414 O ASP A 32 6.192 1.303 -6.035 1.00 0.00 O ATOM 415 CB ASP A 32 8.438 3.182 -3.881 1.00 0.00 C ATOM 416 CG ASP A 32 9.913 3.013 -4.189 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.463 3.849 -4.936 1.00 0.00 O ATOM 418 OD2 ASP A 32 10.518 2.045 -3.683 1.00 0.00 O ATOM 0 H ASP A 32 6.159 4.141 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 32 8.121 3.400 -5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.275 4.158 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.135 2.433 -3.149 1.00 0.00 H new ATOM 423 N GLU A 33 7.994 0.674 -4.831 1.00 0.00 N ATOM 424 CA GLU A 33 7.764 -0.761 -4.985 1.00 0.00 C ATOM 425 C GLU A 33 6.282 -1.083 -5.169 1.00 0.00 C ATOM 426 O GLU A 33 5.770 -1.058 -6.289 1.00 0.00 O ATOM 427 CB GLU A 33 8.321 -1.510 -3.772 1.00 0.00 C ATOM 428 CG GLU A 33 9.812 -1.309 -3.571 1.00 0.00 C ATOM 429 CD GLU A 33 10.588 -2.610 -3.619 1.00 0.00 C ATOM 430 OE1 GLU A 33 10.627 -3.240 -4.697 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.158 -3.000 -2.578 1.00 0.00 O ATOM 0 H GLU A 33 8.821 0.906 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 33 8.284 -1.087 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.794 -1.180 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.118 -2.575 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.191 -0.636 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.983 -0.824 -2.610 1.00 0.00 H new ATOM 438 N GLY A 34 5.596 -1.384 -4.071 1.00 0.00 N ATOM 439 CA GLY A 34 4.185 -1.704 -4.145 1.00 0.00 C ATOM 440 C GLY A 34 3.348 -0.805 -3.264 1.00 0.00 C ATOM 441 O GLY A 34 2.329 -1.229 -2.726 1.00 0.00 O ATOM 0 H GLY A 34 5.993 -1.412 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.848 -1.614 -5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.034 -2.742 -3.850 1.00 0.00 H new ATOM 445 N TYR A 35 3.782 0.440 -3.115 1.00 0.00 N ATOM 446 CA TYR A 35 3.072 1.404 -2.291 1.00 0.00 C ATOM 447 C TYR A 35 1.903 2.021 -3.055 1.00 0.00 C ATOM 448 O TYR A 35 1.990 2.259 -4.260 1.00 0.00 O ATOM 449 CB TYR A 35 4.031 2.502 -1.830 1.00 0.00 C ATOM 450 CG TYR A 35 5.128 2.006 -0.915 1.00 0.00 C ATOM 451 CD1 TYR A 35 4.897 0.971 -0.018 1.00 0.00 C ATOM 452 CD2 TYR A 35 6.395 2.573 -0.950 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.898 0.516 0.820 1.00 0.00 C ATOM 454 CE2 TYR A 35 7.401 2.125 -0.115 1.00 0.00 C ATOM 455 CZ TYR A 35 7.148 1.097 0.767 1.00 0.00 C ATOM 456 OH TYR A 35 8.147 0.646 1.599 1.00 0.00 O ATOM 0 H TYR A 35 4.626 0.805 -3.557 1.00 0.00 H new ATOM 0 HA TYR A 35 2.674 0.882 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.483 2.968 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.462 3.276 -1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.919 0.514 0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.598 3.378 -1.641 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.702 -0.290 1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.380 2.578 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 35 8.966 1.159 1.436 1.00 0.00 H new ATOM 466 N GLU A 36 0.811 2.280 -2.345 1.00 0.00 N ATOM 467 CA GLU A 36 -0.376 2.871 -2.948 1.00 0.00 C ATOM 468 C GLU A 36 -0.675 4.233 -2.325 1.00 0.00 C ATOM 469 O GLU A 36 -0.668 4.380 -1.103 1.00 0.00 O ATOM 470 CB GLU A 36 -1.580 1.931 -2.782 1.00 0.00 C ATOM 471 CG GLU A 36 -2.481 2.269 -1.603 1.00 0.00 C ATOM 472 CD GLU A 36 -3.753 1.445 -1.588 1.00 0.00 C ATOM 473 OE1 GLU A 36 -3.753 0.340 -2.170 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.751 1.905 -0.992 1.00 0.00 O ATOM 0 H GLU A 36 0.724 2.089 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.188 3.015 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.173 1.955 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.216 0.910 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.935 2.105 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.738 3.328 -1.639 1.00 0.00 H new ATOM 481 N SER A 37 -0.940 5.226 -3.168 1.00 0.00 N ATOM 482 CA SER A 37 -1.244 6.565 -2.687 1.00 0.00 C ATOM 483 C SER A 37 -2.177 6.497 -1.485 1.00 0.00 C ATOM 484 O SER A 37 -3.386 6.316 -1.636 1.00 0.00 O ATOM 485 CB SER A 37 -1.880 7.401 -3.800 1.00 0.00 C ATOM 486 OG SER A 37 -3.217 7.746 -3.478 1.00 0.00 O ATOM 0 H SER A 37 -0.950 5.128 -4.183 1.00 0.00 H new ATOM 0 HA SER A 37 -0.312 7.041 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.295 8.307 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.861 6.842 -4.736 1.00 0.00 H new ATOM 0 HG SER A 37 -3.691 6.952 -3.154 1.00 0.00 H new ATOM 492 N GLY A 38 -1.612 6.638 -0.291 1.00 0.00 N ATOM 493 CA GLY A 38 -2.417 6.586 0.915 1.00 0.00 C ATOM 494 C GLY A 38 -3.652 7.446 0.803 1.00 0.00 C ATOM 495 O GLY A 38 -4.754 6.942 0.591 1.00 0.00 O ATOM 0 H GLY A 38 -0.615 6.787 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.709 5.555 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.820 6.917 1.765 1.00 0.00 H new ATOM 499 N PHE A 39 -3.460 8.748 0.937 1.00 0.00 N ATOM 500 CA PHE A 39 -4.558 9.701 0.841 1.00 0.00 C ATOM 501 C PHE A 39 -5.233 9.899 2.198 1.00 0.00 C ATOM 502 O PHE A 39 -5.872 10.924 2.438 1.00 0.00 O ATOM 503 CB PHE A 39 -5.569 9.242 -0.228 1.00 0.00 C ATOM 504 CG PHE A 39 -6.879 8.730 0.317 1.00 0.00 C ATOM 505 CD1 PHE A 39 -7.743 9.579 0.991 1.00 0.00 C ATOM 506 CD2 PHE A 39 -7.245 7.403 0.148 1.00 0.00 C ATOM 507 CE1 PHE A 39 -8.946 9.113 1.489 1.00 0.00 C ATOM 508 CE2 PHE A 39 -8.446 6.934 0.643 1.00 0.00 C ATOM 509 CZ PHE A 39 -9.297 7.789 1.315 1.00 0.00 C ATOM 0 H PHE A 39 -2.550 9.173 1.114 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.154 10.666 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.772 10.078 -0.898 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.110 8.457 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.474 10.616 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.584 6.729 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -9.610 9.784 2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.720 5.898 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.236 7.423 1.704 1.00 0.00 H new ATOM 519 N MET A 40 -5.076 8.924 3.086 1.00 0.00 N ATOM 520 CA MET A 40 -5.663 9.010 4.417 1.00 0.00 C ATOM 521 C MET A 40 -5.125 10.236 5.142 1.00 0.00 C ATOM 522 O MET A 40 -5.819 10.856 5.949 1.00 0.00 O ATOM 523 CB MET A 40 -5.355 7.746 5.223 1.00 0.00 C ATOM 524 CG MET A 40 -5.504 6.464 4.420 1.00 0.00 C ATOM 525 SD MET A 40 -5.631 5.001 5.468 1.00 0.00 S ATOM 526 CE MET A 40 -4.867 5.596 6.975 1.00 0.00 C ATOM 0 H MET A 40 -4.549 8.068 2.909 1.00 0.00 H new ATOM 0 HA MET A 40 -6.745 9.100 4.316 1.00 0.00 H new ATOM 0 HB2 MET A 40 -4.337 7.809 5.607 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.019 7.704 6.086 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.392 6.534 3.791 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.649 6.356 3.753 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.644 4.752 7.628 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.943 6.121 6.732 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.549 6.278 7.484 1.00 0.00 H new ATOM 536 N MET A 41 -3.880 10.579 4.836 1.00 0.00 N ATOM 537 CA MET A 41 -3.226 11.734 5.437 1.00 0.00 C ATOM 538 C MET A 41 -2.876 12.765 4.370 1.00 0.00 C ATOM 539 O MET A 41 -2.720 13.951 4.661 1.00 0.00 O ATOM 540 CB MET A 41 -1.959 11.293 6.171 1.00 0.00 C ATOM 541 CG MET A 41 -2.091 9.942 6.853 1.00 0.00 C ATOM 542 SD MET A 41 -3.569 9.822 7.877 1.00 0.00 S ATOM 543 CE MET A 41 -2.843 9.742 9.513 1.00 0.00 C ATOM 0 H MET A 41 -3.300 10.069 4.170 1.00 0.00 H new ATOM 0 HA MET A 41 -3.913 12.190 6.150 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.133 11.253 5.461 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.702 12.044 6.918 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.114 9.158 6.096 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.211 9.764 7.470 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.634 9.665 10.259 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.194 8.869 9.581 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.258 10.644 9.696 1.00 0.00 H new ATOM 553 N MET A 42 -2.755 12.299 3.130 1.00 0.00 N ATOM 554 CA MET A 42 -2.426 13.166 2.007 1.00 0.00 C ATOM 555 C MET A 42 -2.339 12.353 0.722 1.00 0.00 C ATOM 556 O MET A 42 -3.193 12.468 -0.158 1.00 0.00 O ATOM 557 CB MET A 42 -1.102 13.888 2.261 1.00 0.00 C ATOM 558 CG MET A 42 -0.146 13.111 3.152 1.00 0.00 C ATOM 559 SD MET A 42 0.094 13.891 4.760 1.00 0.00 S ATOM 560 CE MET A 42 1.782 13.413 5.118 1.00 0.00 C ATOM 0 H MET A 42 -2.881 11.319 2.879 1.00 0.00 H new ATOM 0 HA MET A 42 -3.215 13.910 1.901 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.616 14.085 1.305 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.307 14.855 2.719 1.00 0.00 H new ATOM 0 HG2 MET A 42 -0.530 12.101 3.296 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.817 13.018 2.650 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.079 13.821 6.084 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.854 12.326 5.146 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.442 13.801 4.342 1.00 0.00 H new ATOM 570 N LYS A 43 -1.305 11.526 0.630 1.00 0.00 N ATOM 571 CA LYS A 43 -1.096 10.679 -0.539 1.00 0.00 C ATOM 572 C LYS A 43 0.243 9.956 -0.457 1.00 0.00 C ATOM 573 O LYS A 43 0.902 9.735 -1.471 1.00 0.00 O ATOM 574 CB LYS A 43 -1.153 11.510 -1.820 1.00 0.00 C ATOM 575 CG LYS A 43 -0.953 10.694 -3.084 1.00 0.00 C ATOM 576 CD LYS A 43 -2.202 10.698 -3.948 1.00 0.00 C ATOM 577 CE LYS A 43 -1.861 10.852 -5.422 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.043 11.270 -6.226 1.00 0.00 N ATOM 0 H LYS A 43 -0.594 11.423 1.355 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.894 9.936 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.117 12.015 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.389 12.286 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.115 11.098 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.694 9.669 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.753 9.770 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.857 11.512 -3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.066 11.589 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.477 9.907 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.082 10.711 -7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.911 11.112 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.962 12.279 -6.463 1.00 0.00 H new ATOM 592 N ASN A 44 0.643 9.588 0.755 1.00 0.00 N ATOM 593 CA ASN A 44 1.905 8.890 0.959 1.00 0.00 C ATOM 594 C ASN A 44 1.900 7.545 0.245 1.00 0.00 C ATOM 595 O ASN A 44 0.937 7.195 -0.438 1.00 0.00 O ATOM 596 CB ASN A 44 2.167 8.689 2.453 1.00 0.00 C ATOM 597 CG ASN A 44 1.427 7.491 3.013 1.00 0.00 C ATOM 598 OD1 ASN A 44 2.040 6.498 3.407 1.00 0.00 O ATOM 599 ND2 ASN A 44 0.102 7.576 3.052 1.00 0.00 N ATOM 0 H ASN A 44 0.112 9.761 1.609 1.00 0.00 H new ATOM 0 HA ASN A 44 2.703 9.502 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.237 8.561 2.618 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.866 9.585 2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.448 6.800 3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.365 8.418 2.715 1.00 0.00 H new ATOM 606 N CYS A 45 2.979 6.792 0.412 1.00 0.00 N ATOM 607 CA CYS A 45 3.100 5.480 -0.208 1.00 0.00 C ATOM 608 C CYS A 45 2.790 4.388 0.807 1.00 0.00 C ATOM 609 O CYS A 45 3.589 4.113 1.703 1.00 0.00 O ATOM 610 CB CYS A 45 4.508 5.288 -0.776 1.00 0.00 C ATOM 611 SG CYS A 45 4.646 5.544 -2.579 1.00 0.00 S ATOM 0 H CYS A 45 3.785 7.068 0.973 1.00 0.00 H new ATOM 0 HA CYS A 45 2.382 5.414 -1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.185 5.978 -0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.846 4.279 -0.539 1.00 0.00 H new ATOM 616 N MET A 46 1.619 3.782 0.672 1.00 0.00 N ATOM 617 CA MET A 46 1.193 2.732 1.590 1.00 0.00 C ATOM 618 C MET A 46 0.853 1.446 0.842 1.00 0.00 C ATOM 619 O MET A 46 -0.234 1.319 0.279 1.00 0.00 O ATOM 620 CB MET A 46 -0.014 3.213 2.397 1.00 0.00 C ATOM 621 CG MET A 46 -1.165 3.689 1.531 1.00 0.00 C ATOM 622 SD MET A 46 -2.775 3.355 2.271 1.00 0.00 S ATOM 623 CE MET A 46 -2.514 3.957 3.937 1.00 0.00 C ATOM 0 H MET A 46 0.946 3.998 -0.064 1.00 0.00 H new ATOM 0 HA MET A 46 2.018 2.512 2.268 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.361 2.401 3.036 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.297 4.025 3.054 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.065 4.760 1.357 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.108 3.201 0.558 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.344 3.646 4.571 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.584 3.547 4.330 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.455 5.045 3.925 1.00 0.00 H new ATOM 633 N ASP A 47 1.802 0.507 0.847 1.00 0.00 N ATOM 634 CA ASP A 47 1.659 -0.789 0.180 1.00 0.00 C ATOM 635 C ASP A 47 0.244 -1.038 -0.325 1.00 0.00 C ATOM 636 O ASP A 47 -0.727 -0.957 0.426 1.00 0.00 O ATOM 637 CB ASP A 47 2.075 -1.914 1.127 1.00 0.00 C ATOM 638 CG ASP A 47 0.956 -2.329 2.064 1.00 0.00 C ATOM 639 OD1 ASP A 47 -0.053 -2.876 1.576 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.092 -2.105 3.285 1.00 0.00 O ATOM 0 H ASP A 47 2.699 0.626 1.318 1.00 0.00 H new ATOM 0 HA ASP A 47 2.314 -0.772 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.394 -2.777 0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.935 -1.591 1.714 1.00 0.00 H new ATOM 645 N ILE A 48 0.150 -1.345 -1.611 1.00 0.00 N ATOM 646 CA ILE A 48 -1.124 -1.616 -2.259 1.00 0.00 C ATOM 647 C ILE A 48 -1.774 -2.872 -1.695 1.00 0.00 C ATOM 648 O ILE A 48 -1.271 -3.477 -0.748 1.00 0.00 O ATOM 649 CB ILE A 48 -0.930 -1.804 -3.772 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.351 -2.598 -4.032 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.880 -0.459 -4.481 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.207 -3.634 -5.123 1.00 0.00 C ATOM 0 H ILE A 48 0.955 -1.413 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.771 -0.760 -2.069 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.779 -2.360 -4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.149 -1.906 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.656 -3.093 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.742 -0.616 -5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.814 0.077 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.048 0.127 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.153 -4.159 -5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.569 -4.348 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.068 -3.143 -6.057 1.00 0.00 H new ATOM 664 N ASP A 49 -2.888 -3.267 -2.300 1.00 0.00 N ATOM 665 CA ASP A 49 -3.606 -4.459 -1.878 1.00 0.00 C ATOM 666 C ASP A 49 -3.284 -5.624 -2.802 1.00 0.00 C ATOM 667 O ASP A 49 -4.107 -6.022 -3.625 1.00 0.00 O ATOM 668 CB ASP A 49 -5.115 -4.202 -1.872 1.00 0.00 C ATOM 669 CG ASP A 49 -5.896 -5.371 -1.305 1.00 0.00 C ATOM 670 OD1 ASP A 49 -5.355 -6.497 -1.295 1.00 0.00 O ATOM 671 OD2 ASP A 49 -7.049 -5.161 -0.875 1.00 0.00 O ATOM 0 H ASP A 49 -3.313 -2.776 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.288 -4.710 -0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.327 -3.308 -1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.451 -4.003 -2.889 1.00 0.00 H new ATOM 676 N GLU A 50 -2.078 -6.165 -2.667 1.00 0.00 N ATOM 677 CA GLU A 50 -1.646 -7.283 -3.492 1.00 0.00 C ATOM 678 C GLU A 50 -2.687 -8.397 -3.490 1.00 0.00 C ATOM 679 O GLU A 50 -2.726 -9.228 -4.395 1.00 0.00 O ATOM 680 CB GLU A 50 -0.310 -7.820 -2.986 1.00 0.00 C ATOM 681 CG GLU A 50 0.883 -6.975 -3.402 1.00 0.00 C ATOM 682 CD GLU A 50 1.075 -5.762 -2.512 1.00 0.00 C ATOM 683 OE1 GLU A 50 0.105 -4.997 -2.334 1.00 0.00 O ATOM 684 OE2 GLU A 50 2.196 -5.579 -1.992 1.00 0.00 O ATOM 0 H GLU A 50 -1.383 -5.846 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.527 -6.926 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.341 -7.880 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.172 -8.836 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.784 -7.587 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.750 -6.648 -4.433 1.00 0.00 H new ATOM 691 N CYS A 51 -3.533 -8.402 -2.466 1.00 0.00 N ATOM 692 CA CYS A 51 -4.581 -9.410 -2.343 1.00 0.00 C ATOM 693 C CYS A 51 -5.746 -9.091 -3.273 1.00 0.00 C ATOM 694 O CYS A 51 -6.653 -9.905 -3.455 1.00 0.00 O ATOM 695 CB CYS A 51 -5.077 -9.487 -0.898 1.00 0.00 C ATOM 696 SG CYS A 51 -3.753 -9.734 0.327 1.00 0.00 S ATOM 0 H CYS A 51 -3.514 -7.719 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.161 -10.375 -2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.612 -8.568 -0.659 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.793 -10.304 -0.814 1.00 0.00 H new ATOM 701 N GLN A 52 -5.714 -7.899 -3.856 1.00 0.00 N ATOM 702 CA GLN A 52 -6.761 -7.458 -4.767 1.00 0.00 C ATOM 703 C GLN A 52 -6.199 -7.241 -6.166 1.00 0.00 C ATOM 704 O GLN A 52 -6.932 -7.268 -7.156 1.00 0.00 O ATOM 705 CB GLN A 52 -7.387 -6.164 -4.248 1.00 0.00 C ATOM 706 CG GLN A 52 -8.599 -6.390 -3.363 1.00 0.00 C ATOM 707 CD GLN A 52 -9.633 -5.290 -3.496 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.551 -5.378 -4.311 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.489 -4.243 -2.691 1.00 0.00 N ATOM 0 H GLN A 52 -4.969 -7.217 -3.712 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.526 -8.232 -4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.637 -5.606 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.677 -5.544 -5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.057 -7.346 -3.618 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.278 -6.457 -2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.713 -4.211 -2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.154 -3.471 -2.734 1.00 0.00 H new ATOM 718 N ARG A 53 -4.891 -7.026 -6.236 1.00 0.00 N ATOM 719 CA ARG A 53 -4.214 -6.801 -7.507 1.00 0.00 C ATOM 720 C ARG A 53 -4.570 -7.885 -8.518 1.00 0.00 C ATOM 721 O ARG A 53 -5.057 -7.594 -9.610 1.00 0.00 O ATOM 722 CB ARG A 53 -2.700 -6.760 -7.292 1.00 0.00 C ATOM 723 CG ARG A 53 -1.896 -6.960 -8.567 1.00 0.00 C ATOM 724 CD ARG A 53 -0.437 -7.257 -8.263 1.00 0.00 C ATOM 725 NE ARG A 53 0.264 -7.805 -9.421 1.00 0.00 N ATOM 726 CZ ARG A 53 0.255 -9.093 -9.744 1.00 0.00 C ATOM 727 NH1 ARG A 53 -0.413 -9.962 -8.998 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.917 -9.515 -10.813 1.00 0.00 N ATOM 0 H ARG A 53 -4.275 -7.003 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.547 -5.843 -7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.431 -5.801 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.423 -7.531 -6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.323 -7.781 -9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.965 -6.066 -9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.059 -6.342 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.376 -7.963 -7.435 1.00 0.00 H new ATOM 0 HE ARG A 53 0.789 -7.163 -10.014 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.922 -9.642 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.418 -10.951 -9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.434 -8.850 -11.388 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.909 -10.505 -11.060 1.00 0.00 H new ATOM 742 N ASP A 54 -4.321 -9.133 -8.146 1.00 0.00 N ATOM 743 CA ASP A 54 -4.610 -10.265 -9.020 1.00 0.00 C ATOM 744 C ASP A 54 -5.909 -10.953 -8.613 1.00 0.00 C ATOM 745 O ASP A 54 -6.340 -10.862 -7.463 1.00 0.00 O ATOM 746 CB ASP A 54 -3.457 -11.269 -8.987 1.00 0.00 C ATOM 747 CG ASP A 54 -2.565 -11.165 -10.208 1.00 0.00 C ATOM 748 OD1 ASP A 54 -2.251 -10.028 -10.619 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.179 -12.220 -10.754 1.00 0.00 O ATOM 0 H ASP A 54 -3.919 -9.389 -7.244 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.725 -9.885 -10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.861 -11.104 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.860 -12.279 -8.920 1.00 0.00 H new ATOM 754 N PRO A 55 -6.549 -11.655 -9.561 1.00 0.00 N ATOM 755 CA PRO A 55 -7.794 -12.365 -9.325 1.00 0.00 C ATOM 756 C PRO A 55 -7.565 -13.803 -8.872 1.00 0.00 C ATOM 757 O PRO A 55 -8.512 -14.532 -8.578 1.00 0.00 O ATOM 758 CB PRO A 55 -8.473 -12.336 -10.699 1.00 0.00 C ATOM 759 CG PRO A 55 -7.390 -12.053 -11.702 1.00 0.00 C ATOM 760 CD PRO A 55 -6.105 -11.812 -10.945 1.00 0.00 C ATOM 0 HA PRO A 55 -8.384 -11.910 -8.529 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.960 -13.288 -10.912 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.245 -11.568 -10.734 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.277 -12.893 -12.388 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.647 -11.182 -12.305 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.413 -12.647 -11.052 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.588 -10.922 -11.304 1.00 0.00 H new ATOM 768 N LEU A 56 -6.298 -14.203 -8.814 1.00 0.00 N ATOM 769 CA LEU A 56 -5.936 -15.548 -8.393 1.00 0.00 C ATOM 770 C LEU A 56 -4.821 -15.498 -7.357 1.00 0.00 C ATOM 771 O LEU A 56 -4.182 -16.509 -7.065 1.00 0.00 O ATOM 772 CB LEU A 56 -5.495 -16.379 -9.596 1.00 0.00 C ATOM 773 CG LEU A 56 -6.505 -17.431 -10.057 1.00 0.00 C ATOM 774 CD1 LEU A 56 -6.242 -18.762 -9.370 1.00 0.00 C ATOM 775 CD2 LEU A 56 -7.926 -16.960 -9.786 1.00 0.00 C ATOM 0 H LEU A 56 -5.504 -13.610 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.811 -16.016 -7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.288 -15.706 -10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.558 -16.879 -9.350 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.389 -17.572 -11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.971 -19.498 -9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.237 -19.106 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.329 -18.638 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.631 -17.721 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.055 -16.790 -8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.111 -16.031 -10.326 1.00 0.00 H new ATOM 787 N LEU A 57 -4.590 -14.310 -6.804 1.00 0.00 N ATOM 788 CA LEU A 57 -3.553 -14.125 -5.802 1.00 0.00 C ATOM 789 C LEU A 57 -3.849 -14.948 -4.559 1.00 0.00 C ATOM 790 O LEU A 57 -4.952 -14.896 -4.014 1.00 0.00 O ATOM 791 CB LEU A 57 -3.423 -12.646 -5.435 1.00 0.00 C ATOM 792 CG LEU A 57 -2.056 -12.235 -4.887 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.488 -11.073 -5.686 1.00 0.00 C ATOM 794 CD2 LEU A 57 -2.164 -11.871 -3.414 1.00 0.00 C ATOM 0 H LEU A 57 -5.109 -13.463 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.609 -14.467 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.638 -12.047 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.183 -12.403 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.375 -13.081 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.515 -10.794 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.376 -11.369 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.165 -10.221 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.183 -11.581 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.859 -11.040 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.528 -12.731 -2.852 1.00 0.00 H new ATOM 806 N CYS A 58 -2.860 -15.715 -4.120 1.00 0.00 N ATOM 807 CA CYS A 58 -3.019 -16.557 -2.946 1.00 0.00 C ATOM 808 C CYS A 58 -4.341 -17.309 -3.009 1.00 0.00 C ATOM 809 O CYS A 58 -4.900 -17.691 -1.981 1.00 0.00 O ATOM 810 CB CYS A 58 -2.947 -15.716 -1.673 1.00 0.00 C ATOM 811 SG CYS A 58 -1.265 -15.547 -0.997 1.00 0.00 S ATOM 0 H CYS A 58 -1.941 -15.770 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.206 -17.283 -2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.346 -14.723 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.589 -16.165 -0.915 1.00 0.00 H new ATOM 816 N ARG A 59 -4.830 -17.521 -4.228 1.00 0.00 N ATOM 817 CA ARG A 59 -6.081 -18.232 -4.440 1.00 0.00 C ATOM 818 C ARG A 59 -5.969 -19.661 -3.924 1.00 0.00 C ATOM 819 O ARG A 59 -5.916 -20.615 -4.699 1.00 0.00 O ATOM 820 CB ARG A 59 -6.435 -18.235 -5.927 1.00 0.00 C ATOM 821 CG ARG A 59 -7.927 -18.160 -6.202 1.00 0.00 C ATOM 822 CD ARG A 59 -8.447 -19.450 -6.814 1.00 0.00 C ATOM 823 NE ARG A 59 -9.873 -19.374 -7.123 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.571 -20.386 -7.625 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.979 -21.545 -7.872 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.865 -20.239 -7.879 1.00 0.00 N ATOM 0 H ARG A 59 -4.374 -17.208 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.872 -17.723 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.943 -17.391 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.036 -19.140 -6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.459 -17.957 -5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.132 -17.328 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.890 -19.669 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.269 -20.276 -6.125 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.359 -18.495 -6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.985 -21.662 -7.677 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.517 -22.321 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.324 -19.348 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.401 -21.017 -8.265 1.00 0.00 H new ATOM 840 N GLY A 60 -5.914 -19.793 -2.605 1.00 0.00 N ATOM 841 CA GLY A 60 -5.787 -21.098 -1.988 1.00 0.00 C ATOM 842 C GLY A 60 -4.661 -21.134 -0.973 1.00 0.00 C ATOM 843 O GLY A 60 -4.403 -22.169 -0.357 1.00 0.00 O ATOM 0 H GLY A 60 -5.955 -19.014 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.725 -21.362 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.606 -21.848 -2.758 1.00 0.00 H new ATOM 847 N GLY A 61 -3.990 -19.998 -0.802 1.00 0.00 N ATOM 848 CA GLY A 61 -2.891 -19.915 0.141 1.00 0.00 C ATOM 849 C GLY A 61 -3.104 -18.838 1.191 1.00 0.00 C ATOM 850 O GLY A 61 -4.210 -18.672 1.703 1.00 0.00 O ATOM 0 H GLY A 61 -4.190 -19.132 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.767 -20.879 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.967 -19.712 -0.400 1.00 0.00 H new ATOM 854 N VAL A 62 -2.039 -18.109 1.513 1.00 0.00 N ATOM 855 CA VAL A 62 -2.107 -17.047 2.510 1.00 0.00 C ATOM 856 C VAL A 62 -1.553 -15.741 1.954 1.00 0.00 C ATOM 857 O VAL A 62 -0.377 -15.657 1.598 1.00 0.00 O ATOM 858 CB VAL A 62 -1.319 -17.418 3.780 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.185 -16.213 4.697 1.00 0.00 C ATOM 860 CG2 VAL A 62 -1.988 -18.577 4.503 1.00 0.00 C ATOM 0 H VAL A 62 -1.117 -18.236 1.096 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.159 -16.919 2.765 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.318 -17.733 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.625 -16.495 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.657 -15.415 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.176 -15.864 4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.418 -18.826 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.002 -18.293 4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.025 -19.444 3.844 1.00 0.00 H new ATOM 870 N CYS A 63 -2.404 -14.725 1.880 1.00 0.00 N ATOM 871 CA CYS A 63 -1.993 -13.426 1.365 1.00 0.00 C ATOM 872 C CYS A 63 -1.337 -12.587 2.456 1.00 0.00 C ATOM 873 O CYS A 63 -2.018 -11.899 3.217 1.00 0.00 O ATOM 874 CB CYS A 63 -3.193 -12.679 0.783 1.00 0.00 C ATOM 875 SG CYS A 63 -2.744 -11.349 -0.377 1.00 0.00 S ATOM 0 H CYS A 63 -3.381 -14.776 2.170 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.262 -13.595 0.575 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.838 -13.392 0.270 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.775 -12.253 1.601 1.00 0.00 H new ATOM 880 N HIS A 64 -0.012 -12.649 2.525 1.00 0.00 N ATOM 881 CA HIS A 64 0.736 -11.891 3.523 1.00 0.00 C ATOM 882 C HIS A 64 1.101 -10.508 2.994 1.00 0.00 C ATOM 883 O HIS A 64 2.268 -10.116 3.010 1.00 0.00 O ATOM 884 CB HIS A 64 2.008 -12.643 3.921 1.00 0.00 C ATOM 885 CG HIS A 64 1.749 -13.988 4.523 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.067 -15.171 3.888 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.205 -14.338 5.713 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.730 -16.188 4.661 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.206 -15.710 5.774 1.00 0.00 N ATOM 0 H HIS A 64 0.566 -13.215 1.904 1.00 0.00 H new ATOM 0 HA HIS A 64 0.100 -11.773 4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.638 -12.765 3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.569 -12.038 4.633 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.495 -15.248 2.966 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.839 -13.663 6.473 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.861 -17.233 4.423 1.00 0.00 H new ATOM 898 N ASN A 65 0.098 -9.769 2.530 1.00 0.00 N ATOM 899 CA ASN A 65 0.321 -8.428 2.001 1.00 0.00 C ATOM 900 C ASN A 65 1.155 -7.597 2.971 1.00 0.00 C ATOM 901 O ASN A 65 0.694 -7.246 4.057 1.00 0.00 O ATOM 902 CB ASN A 65 -1.015 -7.733 1.728 1.00 0.00 C ATOM 903 CG ASN A 65 -0.839 -6.290 1.294 1.00 0.00 C ATOM 904 OD1 ASN A 65 -0.123 -5.520 1.935 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.494 -5.917 0.201 1.00 0.00 N ATOM 0 H ASN A 65 -0.875 -10.075 2.510 1.00 0.00 H new ATOM 0 HA ASN A 65 0.869 -8.519 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.554 -8.279 0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.629 -7.766 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.415 -4.959 -0.139 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.076 -6.589 -0.299 1.00 0.00 H new ATOM 912 N THR A 66 2.385 -7.292 2.573 1.00 0.00 N ATOM 913 CA THR A 66 3.288 -6.510 3.407 1.00 0.00 C ATOM 914 C THR A 66 3.568 -5.144 2.791 1.00 0.00 C ATOM 915 O THR A 66 2.820 -4.671 1.933 1.00 0.00 O ATOM 916 CB THR A 66 4.625 -7.244 3.625 1.00 0.00 C ATOM 917 OG1 THR A 66 5.612 -6.747 2.713 1.00 0.00 O ATOM 918 CG2 THR A 66 4.457 -8.744 3.430 1.00 0.00 C ATOM 0 H THR A 66 2.780 -7.575 1.676 1.00 0.00 H new ATOM 0 HA THR A 66 2.791 -6.375 4.368 1.00 0.00 H new ATOM 0 HB THR A 66 4.952 -7.061 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.459 -7.218 2.859 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.414 -9.241 3.589 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.727 -9.124 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.109 -8.942 2.416 1.00 0.00 H new ATOM 926 N GLU A 67 4.649 -4.514 3.238 1.00 0.00 N ATOM 927 CA GLU A 67 5.032 -3.198 2.739 1.00 0.00 C ATOM 928 C GLU A 67 5.649 -3.293 1.347 1.00 0.00 C ATOM 929 O GLU A 67 6.438 -4.196 1.067 1.00 0.00 O ATOM 930 CB GLU A 67 6.021 -2.536 3.701 1.00 0.00 C ATOM 931 CG GLU A 67 7.450 -3.014 3.524 1.00 0.00 C ATOM 932 CD GLU A 67 8.449 -2.167 4.288 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.457 -2.240 5.535 1.00 0.00 O ATOM 934 OE2 GLU A 67 9.222 -1.430 3.640 1.00 0.00 O ATOM 0 H GLU A 67 5.277 -4.894 3.946 1.00 0.00 H new ATOM 0 HA GLU A 67 4.130 -2.589 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.987 -1.456 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.705 -2.732 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.527 -4.049 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.704 -3.001 2.464 1.00 0.00 H new ATOM 941 N GLY A 68 5.287 -2.351 0.481 1.00 0.00 N ATOM 942 CA GLY A 68 5.815 -2.338 -0.873 1.00 0.00 C ATOM 943 C GLY A 68 6.038 -3.729 -1.427 1.00 0.00 C ATOM 944 O GLY A 68 7.090 -4.014 -2.000 1.00 0.00 O ATOM 0 H GLY A 68 4.636 -1.595 0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.125 -1.799 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.758 -1.791 -0.886 1.00 0.00 H new ATOM 948 N SER A 69 5.047 -4.594 -1.255 1.00 0.00 N ATOM 949 CA SER A 69 5.133 -5.967 -1.739 1.00 0.00 C ATOM 950 C SER A 69 4.174 -6.869 -0.971 1.00 0.00 C ATOM 951 O SER A 69 3.411 -6.401 -0.125 1.00 0.00 O ATOM 952 CB SER A 69 6.563 -6.494 -1.606 1.00 0.00 C ATOM 953 OG SER A 69 6.598 -7.908 -1.696 1.00 0.00 O ATOM 0 H SER A 69 4.171 -4.369 -0.783 1.00 0.00 H new ATOM 0 HA SER A 69 4.852 -5.973 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.187 -6.062 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.983 -6.177 -0.651 1.00 0.00 H new ATOM 0 HG SER A 69 7.523 -8.218 -1.610 1.00 0.00 H new ATOM 959 N TYR A 70 4.218 -8.163 -1.266 1.00 0.00 N ATOM 960 CA TYR A 70 3.351 -9.124 -0.597 1.00 0.00 C ATOM 961 C TYR A 70 3.963 -10.519 -0.614 1.00 0.00 C ATOM 962 O TYR A 70 4.792 -10.834 -1.467 1.00 0.00 O ATOM 963 CB TYR A 70 1.968 -9.136 -1.250 1.00 0.00 C ATOM 964 CG TYR A 70 1.871 -10.011 -2.478 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.651 -9.759 -3.599 1.00 0.00 C ATOM 966 CD2 TYR A 70 0.992 -11.085 -2.518 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.558 -10.554 -4.726 1.00 0.00 C ATOM 968 CE2 TYR A 70 0.892 -11.884 -3.641 1.00 0.00 C ATOM 969 CZ TYR A 70 1.677 -11.615 -4.741 1.00 0.00 C ATOM 970 OH TYR A 70 1.581 -12.408 -5.862 1.00 0.00 O ATOM 0 H TYR A 70 4.843 -8.570 -1.962 1.00 0.00 H new ATOM 0 HA TYR A 70 3.244 -8.818 0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.235 -9.475 -0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.698 -8.116 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.341 -8.929 -3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.376 -11.300 -1.657 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.172 -10.345 -5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.202 -12.715 -3.656 1.00 0.00 H new ATOM 0 HH TYR A 70 2.008 -11.956 -6.620 1.00 0.00 H new ATOM 980 N ARG A 71 3.554 -11.347 0.340 1.00 0.00 N ATOM 981 CA ARG A 71 4.068 -12.707 0.443 1.00 0.00 C ATOM 982 C ARG A 71 2.936 -13.724 0.389 1.00 0.00 C ATOM 983 O ARG A 71 2.068 -13.748 1.261 1.00 0.00 O ATOM 984 CB ARG A 71 4.862 -12.879 1.740 1.00 0.00 C ATOM 985 CG ARG A 71 5.132 -11.575 2.470 1.00 0.00 C ATOM 986 CD ARG A 71 6.149 -10.722 1.730 1.00 0.00 C ATOM 987 NE ARG A 71 7.494 -10.872 2.280 1.00 0.00 N ATOM 988 CZ ARG A 71 8.579 -10.343 1.725 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.478 -9.633 0.610 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.768 -10.525 2.286 1.00 0.00 N ATOM 0 H ARG A 71 2.868 -11.100 1.053 1.00 0.00 H new ATOM 0 HA ARG A 71 4.729 -12.882 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.316 -13.550 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.813 -13.361 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.201 -11.019 2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.497 -11.788 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.156 -10.999 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.851 -9.675 1.783 1.00 0.00 H new ATOM 0 HE ARG A 71 7.606 -11.413 3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.566 -9.492 0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.313 -9.228 0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.849 -11.071 3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.601 -10.119 1.860 1.00 0.00 H new ATOM 1004 N CYS A 72 2.953 -14.565 -0.638 1.00 0.00 N ATOM 1005 CA CYS A 72 1.929 -15.587 -0.802 1.00 0.00 C ATOM 1006 C CYS A 72 2.443 -16.943 -0.321 1.00 0.00 C ATOM 1007 O CYS A 72 3.574 -17.328 -0.617 1.00 0.00 O ATOM 1008 CB CYS A 72 1.492 -15.666 -2.266 1.00 0.00 C ATOM 1009 SG CYS A 72 -0.155 -14.960 -2.593 1.00 0.00 S ATOM 0 H CYS A 72 3.665 -14.559 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 72 1.065 -15.315 -0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.226 -15.146 -2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.496 -16.710 -2.579 1.00 0.00 H new ATOM 1014 N GLU A 73 1.609 -17.655 0.432 1.00 0.00 N ATOM 1015 CA GLU A 73 1.986 -18.961 0.968 1.00 0.00 C ATOM 1016 C GLU A 73 0.765 -19.861 1.132 1.00 0.00 C ATOM 1017 O GLU A 73 -0.164 -19.529 1.862 1.00 0.00 O ATOM 1018 CB GLU A 73 2.669 -18.779 2.322 1.00 0.00 C ATOM 1019 CG GLU A 73 3.842 -19.720 2.548 1.00 0.00 C ATOM 1020 CD GLU A 73 4.391 -19.638 3.958 1.00 0.00 C ATOM 1021 OE1 GLU A 73 3.641 -19.214 4.864 1.00 0.00 O ATOM 1022 OE2 GLU A 73 5.569 -19.998 4.159 1.00 0.00 O ATOM 0 H GLU A 73 0.669 -17.351 0.685 1.00 0.00 H new ATOM 0 HA GLU A 73 2.671 -19.435 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.019 -17.750 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.935 -18.932 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.527 -20.743 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.635 -19.483 1.839 1.00 0.00 H new ATOM 1029 N CYS A 74 0.779 -21.006 0.455 1.00 0.00 N ATOM 1030 CA CYS A 74 -0.331 -21.948 0.532 1.00 0.00 C ATOM 1031 C CYS A 74 -0.787 -22.162 1.979 1.00 0.00 C ATOM 1032 O CYS A 74 -1.985 -22.130 2.264 1.00 0.00 O ATOM 1033 CB CYS A 74 0.042 -23.282 -0.116 1.00 0.00 C ATOM 1034 SG CYS A 74 -0.877 -23.644 -1.649 1.00 0.00 S ATOM 0 H CYS A 74 1.544 -21.302 -0.151 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.166 -21.516 -0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.110 -23.282 -0.336 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.136 -24.084 0.600 1.00 0.00 H new ATOM 1039 N PRO A 75 0.158 -22.401 2.915 1.00 0.00 N ATOM 1040 CA PRO A 75 1.602 -22.450 2.627 1.00 0.00 C ATOM 1041 C PRO A 75 2.040 -23.753 1.938 1.00 0.00 C ATOM 1042 O PRO A 75 2.599 -23.726 0.843 1.00 0.00 O ATOM 1043 CB PRO A 75 2.267 -22.321 4.014 1.00 0.00 C ATOM 1044 CG PRO A 75 1.144 -22.100 4.984 1.00 0.00 C ATOM 1045 CD PRO A 75 -0.116 -22.596 4.337 1.00 0.00 C ATOM 0 HA PRO A 75 1.887 -21.662 1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.829 -23.221 4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.971 -21.489 4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.332 -22.633 5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.056 -21.043 5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.308 -23.643 4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.989 -22.030 4.663 1.00 0.00 H new ATOM 1053 N PRO A 76 1.839 -24.926 2.585 1.00 0.00 N ATOM 1054 CA PRO A 76 2.249 -26.219 2.031 1.00 0.00 C ATOM 1055 C PRO A 76 1.233 -26.801 1.055 1.00 0.00 C ATOM 1056 O PRO A 76 0.462 -26.072 0.432 1.00 0.00 O ATOM 1057 CB PRO A 76 2.359 -27.132 3.263 1.00 0.00 C ATOM 1058 CG PRO A 76 1.947 -26.309 4.442 1.00 0.00 C ATOM 1059 CD PRO A 76 1.237 -25.097 3.909 1.00 0.00 C ATOM 0 HA PRO A 76 3.173 -26.121 1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.716 -28.006 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.378 -27.499 3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.293 -26.880 5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.817 -26.018 5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.160 -25.254 3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.396 -24.224 4.542 1.00 0.00 H new ATOM 1067 N GLY A 77 1.242 -28.127 0.926 1.00 0.00 N ATOM 1068 CA GLY A 77 0.323 -28.790 0.026 1.00 0.00 C ATOM 1069 C GLY A 77 0.261 -28.107 -1.321 1.00 0.00 C ATOM 1070 O GLY A 77 -0.810 -27.975 -1.911 1.00 0.00 O ATOM 0 H GLY A 77 1.872 -28.751 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.630 -29.827 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.672 -28.807 0.471 1.00 0.00 H new ATOM 1074 N HIS A 78 1.416 -27.661 -1.802 1.00 0.00 N ATOM 1075 CA HIS A 78 1.487 -26.977 -3.083 1.00 0.00 C ATOM 1076 C HIS A 78 2.802 -26.220 -3.227 1.00 0.00 C ATOM 1077 O HIS A 78 3.763 -26.472 -2.500 1.00 0.00 O ATOM 1078 CB HIS A 78 0.312 -26.007 -3.212 1.00 0.00 C ATOM 1079 CG HIS A 78 -0.667 -26.390 -4.277 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -1.106 -25.512 -5.245 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -1.293 -27.565 -4.526 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -1.958 -26.129 -6.043 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -2.089 -27.375 -5.629 1.00 0.00 N ATOM 0 H HIS A 78 2.312 -27.761 -1.324 1.00 0.00 H new ATOM 0 HA HIS A 78 1.436 -27.723 -3.876 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -0.208 -25.950 -2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.697 -25.010 -3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.186 -28.480 -3.963 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.462 -25.689 -6.891 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.685 -28.083 -6.059 1.00 0.00 H new ATOM 1092 N GLN A 79 2.828 -25.285 -4.167 1.00 0.00 N ATOM 1093 CA GLN A 79 4.009 -24.470 -4.417 1.00 0.00 C ATOM 1094 C GLN A 79 3.583 -23.046 -4.738 1.00 0.00 C ATOM 1095 O GLN A 79 3.638 -22.611 -5.888 1.00 0.00 O ATOM 1096 CB GLN A 79 4.829 -25.050 -5.573 1.00 0.00 C ATOM 1097 CG GLN A 79 6.318 -24.766 -5.465 1.00 0.00 C ATOM 1098 CD GLN A 79 6.734 -23.533 -6.241 1.00 0.00 C ATOM 1099 OE1 GLN A 79 7.404 -22.647 -5.708 1.00 0.00 O ATOM 1100 NE2 GLN A 79 6.339 -23.469 -7.506 1.00 0.00 N ATOM 0 H GLN A 79 2.037 -25.071 -4.774 1.00 0.00 H new ATOM 0 HA GLN A 79 4.634 -24.468 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.675 -26.128 -5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.457 -24.641 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.584 -24.637 -4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.876 -25.627 -5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.785 -24.226 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.589 -22.663 -8.078 1.00 0.00 H new ATOM 1109 N LEU A 80 3.139 -22.333 -3.712 1.00 0.00 N ATOM 1110 CA LEU A 80 2.679 -20.965 -3.876 1.00 0.00 C ATOM 1111 C LEU A 80 3.806 -20.058 -4.332 1.00 0.00 C ATOM 1112 O LEU A 80 4.535 -19.493 -3.517 1.00 0.00 O ATOM 1113 CB LEU A 80 2.076 -20.446 -2.570 1.00 0.00 C ATOM 1114 CG LEU A 80 1.501 -19.027 -2.627 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.295 -18.574 -4.067 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.191 -18.953 -1.857 1.00 0.00 C ATOM 0 H LEU A 80 3.088 -22.683 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 80 1.909 -20.960 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.284 -21.128 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.845 -20.477 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 80 2.221 -18.354 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.886 -17.564 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.250 -18.583 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.601 -19.251 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.204 -17.938 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.528 -19.645 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.365 -19.223 -0.815 1.00 0.00 H new ATOM 1128 N SER A 81 3.938 -19.916 -5.644 1.00 0.00 N ATOM 1129 CA SER A 81 4.969 -19.069 -6.212 1.00 0.00 C ATOM 1130 C SER A 81 5.001 -17.723 -5.492 1.00 0.00 C ATOM 1131 O SER A 81 3.967 -17.087 -5.293 1.00 0.00 O ATOM 1132 CB SER A 81 4.722 -18.872 -7.706 1.00 0.00 C ATOM 1133 OG SER A 81 5.943 -18.826 -8.423 1.00 0.00 O ATOM 0 H SER A 81 3.343 -20.378 -6.332 1.00 0.00 H new ATOM 0 HA SER A 81 5.937 -19.554 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.104 -19.686 -8.086 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.167 -17.948 -7.867 1.00 0.00 H new ATOM 0 HG SER A 81 5.785 -19.083 -9.355 1.00 0.00 H new ATOM 1139 N PRO A 82 6.196 -17.289 -5.074 1.00 0.00 N ATOM 1140 CA PRO A 82 6.378 -16.027 -4.351 1.00 0.00 C ATOM 1141 C PRO A 82 6.260 -14.798 -5.246 1.00 0.00 C ATOM 1142 O PRO A 82 7.109 -14.559 -6.102 1.00 0.00 O ATOM 1143 CB PRO A 82 7.794 -16.146 -3.790 1.00 0.00 C ATOM 1144 CG PRO A 82 8.502 -17.062 -4.730 1.00 0.00 C ATOM 1145 CD PRO A 82 7.462 -18.012 -5.264 1.00 0.00 C ATOM 0 HA PRO A 82 5.607 -15.886 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.283 -15.173 -3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.785 -16.549 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.969 -16.502 -5.540 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.297 -17.604 -4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.635 -18.246 -6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.468 -18.958 -4.722 1.00 0.00 H new ATOM 1153 N ASN A 83 5.203 -14.019 -5.019 1.00 0.00 N ATOM 1154 CA ASN A 83 4.947 -12.794 -5.776 1.00 0.00 C ATOM 1155 C ASN A 83 4.405 -13.088 -7.173 1.00 0.00 C ATOM 1156 O ASN A 83 4.682 -12.353 -8.122 1.00 0.00 O ATOM 1157 CB ASN A 83 6.209 -11.930 -5.866 1.00 0.00 C ATOM 1158 CG ASN A 83 6.642 -11.391 -4.515 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.829 -11.389 -4.187 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.678 -10.934 -3.722 1.00 0.00 N ATOM 0 H ASN A 83 4.501 -14.219 -4.306 1.00 0.00 H new ATOM 0 HA ASN A 83 4.181 -12.240 -5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.019 -12.520 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.027 -11.097 -6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.909 -10.562 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.707 -10.955 -4.035 1.00 0.00 H new ATOM 1167 N ILE A 84 3.615 -14.149 -7.288 1.00 0.00 N ATOM 1168 CA ILE A 84 3.014 -14.521 -8.563 1.00 0.00 C ATOM 1169 C ILE A 84 1.499 -14.389 -8.486 1.00 0.00 C ATOM 1170 O ILE A 84 0.857 -13.923 -9.428 1.00 0.00 O ATOM 1171 CB ILE A 84 3.373 -15.961 -8.966 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.891 -16.121 -9.074 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.701 -16.324 -10.281 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.626 -15.807 -7.793 1.00 0.00 C ATOM 0 H ILE A 84 3.376 -14.767 -6.513 1.00 0.00 H new ATOM 0 HA ILE A 84 3.412 -13.844 -9.319 1.00 0.00 H new ATOM 0 HB ILE A 84 3.010 -16.640 -8.195 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.119 -17.144 -9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.261 -15.468 -9.865 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.964 -17.346 -10.554 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.619 -16.245 -10.171 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.037 -15.642 -11.062 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.697 -15.942 -7.945 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.428 -14.775 -7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.284 -16.477 -7.004 1.00 0.00 H new ATOM 1186 N SER A 85 0.942 -14.786 -7.345 1.00 0.00 N ATOM 1187 CA SER A 85 -0.497 -14.700 -7.113 1.00 0.00 C ATOM 1188 C SER A 85 -1.231 -15.958 -7.584 1.00 0.00 C ATOM 1189 O SER A 85 -1.990 -15.911 -8.552 1.00 0.00 O ATOM 1190 CB SER A 85 -1.069 -13.460 -7.809 1.00 0.00 C ATOM 1191 OG SER A 85 -1.446 -13.746 -9.145 1.00 0.00 O ATOM 0 H SER A 85 1.469 -15.173 -6.562 1.00 0.00 H new ATOM 0 HA SER A 85 -0.652 -14.616 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.934 -13.096 -7.255 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.327 -12.662 -7.801 1.00 0.00 H new ATOM 0 HG SER A 85 -0.643 -13.876 -9.691 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.016 -17.076 -6.884 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.676 -18.337 -7.230 1.00 0.00 C ATOM 1199 C ALA A 86 -0.890 -19.549 -6.728 1.00 0.00 C ATOM 1200 O ALA A 86 0.235 -19.790 -7.167 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.863 -18.441 -8.737 1.00 0.00 C ATOM 0 H ALA A 86 -0.393 -17.133 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.649 -18.337 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.355 -19.383 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.478 -17.611 -9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.890 -18.403 -9.228 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.491 -20.325 -5.823 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.835 -21.521 -5.297 1.00 0.00 C ATOM 1209 C CYS A 87 -0.583 -22.522 -6.422 1.00 0.00 C ATOM 1210 O CYS A 87 -1.494 -22.855 -7.180 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.686 -22.171 -4.201 1.00 0.00 C ATOM 1212 SG CYS A 87 -1.113 -21.816 -2.506 1.00 0.00 S ATOM 0 H CYS A 87 -2.421 -20.148 -5.443 1.00 0.00 H new ATOM 0 HA CYS A 87 0.120 -21.223 -4.863 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.716 -21.829 -4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.692 -23.250 -4.353 1.00 0.00 H new ATOM 1217 N ILE A 88 0.656 -22.992 -6.534 1.00 0.00 N ATOM 1218 CA ILE A 88 1.016 -23.946 -7.577 1.00 0.00 C ATOM 1219 C ILE A 88 1.345 -25.315 -6.993 1.00 0.00 C ATOM 1220 O ILE A 88 2.499 -25.510 -6.558 1.00 0.00 O ATOM 1221 CB ILE A 88 2.223 -23.451 -8.398 1.00 0.00 C ATOM 1222 CG1 ILE A 88 2.088 -21.957 -8.695 1.00 0.00 C ATOM 1223 CG2 ILE A 88 2.345 -24.245 -9.690 1.00 0.00 C ATOM 1224 CD1 ILE A 88 3.260 -21.386 -9.463 1.00 0.00 C ATOM 1225 OXT ILE A 88 0.448 -26.183 -6.979 1.00 0.00 O ATOM 0 H ILE A 88 1.425 -22.729 -5.918 1.00 0.00 H new ATOM 0 HA ILE A 88 0.148 -24.035 -8.230 1.00 0.00 H new ATOM 0 HB ILE A 88 3.130 -23.604 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.174 -21.789 -9.265 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.982 -21.416 -7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.202 -23.884 -10.259 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.483 -25.301 -9.457 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.438 -24.120 -10.281 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.097 -20.323 -9.638 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.174 -21.522 -8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.354 -21.901 -10.419 1.00 0.00 H new