USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 398 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 45 SER OG : rot 152:sc= 2.25 USER MOD Set 1.2: A 48 LYS NZ :NH3+ 177:sc= 2.23 (180deg=0.858) USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= -0.0621 USER MOD Set 2.2: A 40 LYS NZ :NH3+ 141:sc= 0.5 (180deg=0.0702) USER MOD Single : A 1 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.22) USER MOD Single : A 1 GLN N :NH3+ -160:sc= -1.33 (180deg=-2.59!) USER MOD Single : A 4 GLN : amide:sc= 0.56 K(o=0.56,f=-0.05) USER MOD Single : A 11 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 13 THR OG1 : rot -30:sc= 0.0501 USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 0.792 (180deg=-0.575!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 89:sc= 0.334 USER MOD Single : A 21 SER OG : rot 48:sc= 0.132 USER MOD Single : A 22 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.7!) USER MOD Single : A 24 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.33) USER MOD Single : A 27 SER OG : rot -27:sc= -0.0148 USER MOD Single : A 30 GLN : amide:sc= 1.02 K(o=1,f=-0.031) USER MOD Single : A 31 THR OG1 : rot 130:sc= 0.0294 USER MOD Single : A 34 ASN : amide:sc= 0.422 K(o=0.42,f=-8.5!) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= 1.37 (180deg=0.986) USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= -0.136 (180deg=-0.752!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.0397 (180deg=-0.357) USER MOD Single : A 53 HIS : no HE2:sc= -0.749 X(o=-0.75,f=-0.58) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= 0.632 (180deg=-0.894!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 5.949 7.433 5.160 1.00 0.00 N ATOM 2 CA GLN A 1 6.856 8.515 5.498 1.00 0.00 C ATOM 3 C GLN A 1 6.337 9.768 4.847 1.00 0.00 C ATOM 4 O GLN A 1 5.750 9.691 3.765 1.00 0.00 O ATOM 5 CB GLN A 1 8.307 8.249 5.039 1.00 0.00 C ATOM 6 CG GLN A 1 9.017 7.028 5.656 1.00 0.00 C ATOM 7 CD GLN A 1 8.524 5.687 5.127 1.00 0.00 C ATOM 8 OE1 GLN A 1 9.014 5.202 4.133 1.00 0.00 O ATOM 9 NE2 GLN A 1 7.579 5.071 5.796 1.00 0.00 N ATOM 0 H1 GLN A 1 6.068 6.655 5.840 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.968 7.778 5.196 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.160 7.090 4.201 1.00 0.00 H new ATOM 0 HA GLN A 1 6.890 8.610 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 1 8.304 8.129 3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 1 8.901 9.136 5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 1 10.087 7.110 5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 1 8.882 7.051 6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 1 7.182 5.501 6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.241 4.162 5.481 1.00 0.00 H new ATOM 18 N GLY A 2 6.534 10.913 5.485 1.00 0.00 N ATOM 19 CA GLY A 2 6.036 12.164 4.941 1.00 0.00 C ATOM 20 C GLY A 2 4.561 12.297 5.215 1.00 0.00 C ATOM 21 O GLY A 2 4.159 12.929 6.196 1.00 0.00 O ATOM 0 H GLY A 2 7.031 11.000 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.573 13.002 5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.219 12.201 3.867 1.00 0.00 H new ATOM 25 N GLY A 3 3.764 11.668 4.375 1.00 0.00 N ATOM 26 CA GLY A 3 2.346 11.631 4.585 1.00 0.00 C ATOM 27 C GLY A 3 2.066 10.782 5.787 1.00 0.00 C ATOM 28 O GLY A 3 2.475 9.627 5.823 1.00 0.00 O ATOM 0 H GLY A 3 4.083 11.176 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.959 12.639 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.844 11.223 3.708 1.00 0.00 H new ATOM 32 N GLN A 4 1.425 11.362 6.775 1.00 0.00 N ATOM 33 CA GLN A 4 1.186 10.698 8.040 1.00 0.00 C ATOM 34 C GLN A 4 0.168 9.581 7.911 1.00 0.00 C ATOM 35 O GLN A 4 -1.031 9.819 7.928 1.00 0.00 O ATOM 36 CB GLN A 4 0.741 11.706 9.106 1.00 0.00 C ATOM 37 CG GLN A 4 1.739 12.832 9.378 1.00 0.00 C ATOM 38 CD GLN A 4 3.079 12.333 9.892 1.00 0.00 C ATOM 39 OE1 GLN A 4 3.276 12.184 11.082 1.00 0.00 O ATOM 40 NE2 GLN A 4 4.017 12.114 9.005 1.00 0.00 N ATOM 0 H GLN A 4 1.053 12.310 6.726 1.00 0.00 H new ATOM 0 HA GLN A 4 2.129 10.249 8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.207 12.146 8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.555 11.171 10.037 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.897 13.398 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 4 1.311 13.520 10.107 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.822 12.248 8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.943 11.810 9.306 1.00 0.00 H new ATOM 49 N VAL A 5 0.664 8.397 7.676 1.00 0.00 N ATOM 50 CA VAL A 5 -0.153 7.193 7.659 1.00 0.00 C ATOM 51 C VAL A 5 0.642 6.102 8.373 1.00 0.00 C ATOM 52 O VAL A 5 0.153 4.981 8.604 1.00 0.00 O ATOM 53 CB VAL A 5 -0.411 6.723 6.194 1.00 0.00 C ATOM 54 CG1 VAL A 5 0.851 6.100 5.604 1.00 0.00 C ATOM 55 CG2 VAL A 5 -1.589 5.758 6.106 1.00 0.00 C ATOM 0 H VAL A 5 1.652 8.229 7.488 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.111 7.390 8.140 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.673 7.602 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.654 5.777 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.654 6.837 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.147 5.240 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.735 5.455 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.385 4.878 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.491 6.250 6.470 1.00 0.00 H new ATOM 65 N ASP A 6 1.836 6.496 8.782 1.00 0.00 N ATOM 66 CA ASP A 6 2.909 5.609 9.207 1.00 0.00 C ATOM 67 C ASP A 6 2.677 4.827 10.471 1.00 0.00 C ATOM 68 O ASP A 6 3.302 5.072 11.498 1.00 0.00 O ATOM 69 CB ASP A 6 4.262 6.330 9.278 1.00 0.00 C ATOM 70 CG ASP A 6 4.845 6.686 7.929 1.00 0.00 C ATOM 71 OD1 ASP A 6 4.374 7.644 7.274 1.00 0.00 O ATOM 72 OD2 ASP A 6 5.816 6.032 7.489 1.00 0.00 O ATOM 0 H ASP A 6 2.096 7.481 8.829 1.00 0.00 H new ATOM 0 HA ASP A 6 2.922 4.862 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.145 7.242 9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.971 5.697 9.812 1.00 0.00 H new ATOM 77 N CYS A 7 1.774 3.912 10.424 1.00 0.00 N ATOM 78 CA CYS A 7 1.663 2.973 11.488 1.00 0.00 C ATOM 79 C CYS A 7 2.234 1.671 11.043 1.00 0.00 C ATOM 80 O CYS A 7 1.539 0.773 10.614 1.00 0.00 O ATOM 81 CB CYS A 7 0.264 2.854 11.959 1.00 0.00 C ATOM 82 SG CYS A 7 -0.471 4.412 12.539 1.00 0.00 S ATOM 0 H CYS A 7 1.103 3.792 9.665 1.00 0.00 H new ATOM 0 HA CYS A 7 2.234 3.321 12.349 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.347 2.459 11.147 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.227 2.126 12.769 1.00 0.00 H new ATOM 87 N GLY A 8 3.554 1.618 11.085 1.00 0.00 N ATOM 88 CA GLY A 8 4.274 0.459 10.646 1.00 0.00 C ATOM 89 C GLY A 8 4.336 -0.608 11.692 1.00 0.00 C ATOM 90 O GLY A 8 4.866 -1.677 11.450 1.00 0.00 O ATOM 0 H GLY A 8 4.144 2.378 11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.799 0.058 9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.287 0.749 10.367 1.00 0.00 H new ATOM 94 N GLU A 9 3.817 -0.306 12.868 1.00 0.00 N ATOM 95 CA GLU A 9 3.743 -1.251 13.916 1.00 0.00 C ATOM 96 C GLU A 9 2.641 -2.232 13.566 1.00 0.00 C ATOM 97 O GLU A 9 2.820 -3.431 13.660 1.00 0.00 O ATOM 98 CB GLU A 9 3.445 -0.518 15.180 1.00 0.00 C ATOM 99 CG GLU A 9 4.500 0.503 15.580 1.00 0.00 C ATOM 100 CD GLU A 9 4.245 1.087 16.946 1.00 0.00 C ATOM 101 OE1 GLU A 9 3.135 1.595 17.205 1.00 0.00 O ATOM 102 OE2 GLU A 9 5.118 0.981 17.822 1.00 0.00 O ATOM 0 H GLU A 9 3.439 0.612 13.103 1.00 0.00 H new ATOM 0 HA GLU A 9 4.676 -1.799 14.049 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.487 -0.009 15.073 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.333 -1.242 15.987 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.482 0.031 15.567 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.523 1.306 14.843 1.00 0.00 H new ATOM 109 N PHE A 10 1.482 -1.658 13.182 1.00 0.00 N ATOM 110 CA PHE A 10 0.336 -2.389 12.554 1.00 0.00 C ATOM 111 C PHE A 10 -0.092 -3.651 13.331 1.00 0.00 C ATOM 112 O PHE A 10 -0.600 -4.615 12.776 1.00 0.00 O ATOM 113 CB PHE A 10 0.809 -2.795 11.218 1.00 0.00 C ATOM 114 CG PHE A 10 -0.257 -3.237 10.234 1.00 0.00 C ATOM 115 CD1 PHE A 10 -1.272 -2.371 9.860 1.00 0.00 C ATOM 116 CD2 PHE A 10 -0.248 -4.518 9.700 1.00 0.00 C ATOM 117 CE1 PHE A 10 -2.253 -2.767 8.976 1.00 0.00 C ATOM 118 CE2 PHE A 10 -1.229 -4.922 8.815 1.00 0.00 C ATOM 119 CZ PHE A 10 -2.233 -4.044 8.452 1.00 0.00 C ATOM 0 H PHE A 10 1.303 -0.660 13.296 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.537 -1.736 12.536 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.354 -1.959 10.779 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.521 -3.611 11.340 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.295 -1.371 10.267 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.535 -5.207 9.980 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.036 -2.079 8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.211 -5.922 8.408 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.001 -4.357 7.760 1.00 0.00 H new ATOM 129 N GLN A 11 0.078 -3.610 14.598 1.00 0.00 N ATOM 130 CA GLN A 11 -0.271 -4.751 15.475 1.00 0.00 C ATOM 131 C GLN A 11 -1.750 -5.027 15.520 1.00 0.00 C ATOM 132 O GLN A 11 -2.215 -6.056 15.988 1.00 0.00 O ATOM 133 CB GLN A 11 0.278 -4.542 16.821 1.00 0.00 C ATOM 134 CG GLN A 11 1.753 -4.470 16.775 1.00 0.00 C ATOM 135 CD GLN A 11 2.450 -4.608 18.133 1.00 0.00 C ATOM 136 OE1 GLN A 11 3.569 -5.074 18.212 1.00 0.00 O ATOM 137 NE2 GLN A 11 1.791 -4.235 19.207 1.00 0.00 N ATOM 0 H GLN A 11 0.460 -2.804 15.093 1.00 0.00 H new ATOM 0 HA GLN A 11 0.185 -5.642 15.043 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.123 -3.621 17.245 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.032 -5.356 17.476 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.120 -5.255 16.114 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.042 -3.518 16.330 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.852 -3.846 19.120 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.218 -4.335 20.128 1.00 0.00 H new ATOM 146 N ASP A 12 -2.426 -4.094 15.047 1.00 0.00 N ATOM 147 CA ASP A 12 -3.794 -4.098 14.853 1.00 0.00 C ATOM 148 C ASP A 12 -4.029 -3.654 13.434 1.00 0.00 C ATOM 149 O ASP A 12 -3.272 -2.874 12.875 1.00 0.00 O ATOM 150 CB ASP A 12 -4.442 -3.180 15.845 1.00 0.00 C ATOM 151 CG ASP A 12 -5.899 -2.862 15.553 1.00 0.00 C ATOM 152 OD1 ASP A 12 -6.681 -3.768 15.198 1.00 0.00 O ATOM 153 OD2 ASP A 12 -6.283 -1.704 15.634 1.00 0.00 O ATOM 0 H ASP A 12 -1.996 -3.216 14.754 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.230 -5.085 15.005 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.373 -3.630 16.836 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.880 -2.247 15.879 1.00 0.00 H new ATOM 158 N THR A 13 -5.057 -4.127 12.910 1.00 0.00 N ATOM 159 CA THR A 13 -5.421 -3.979 11.508 1.00 0.00 C ATOM 160 C THR A 13 -5.926 -2.578 11.174 1.00 0.00 C ATOM 161 O THR A 13 -5.952 -2.170 10.016 1.00 0.00 O ATOM 162 CB THR A 13 -6.492 -5.023 11.135 1.00 0.00 C ATOM 163 OG1 THR A 13 -6.725 -5.040 9.723 1.00 0.00 O ATOM 164 CG2 THR A 13 -7.817 -4.774 11.865 1.00 0.00 C ATOM 0 H THR A 13 -5.739 -4.669 13.441 1.00 0.00 H new ATOM 0 HA THR A 13 -4.516 -4.141 10.922 1.00 0.00 H new ATOM 0 HB THR A 13 -6.103 -5.992 11.449 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.561 -4.147 9.354 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.542 -5.533 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.654 -4.824 12.942 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.198 -3.787 11.601 1.00 0.00 H new ATOM 172 N LYS A 14 -6.330 -1.861 12.181 1.00 0.00 N ATOM 173 CA LYS A 14 -6.872 -0.531 12.007 1.00 0.00 C ATOM 174 C LYS A 14 -5.733 0.473 11.993 1.00 0.00 C ATOM 175 O LYS A 14 -5.912 1.667 11.670 1.00 0.00 O ATOM 176 CB LYS A 14 -7.732 -0.229 13.199 1.00 0.00 C ATOM 177 CG LYS A 14 -8.705 -1.316 13.579 1.00 0.00 C ATOM 178 CD LYS A 14 -9.569 -0.880 14.755 1.00 0.00 C ATOM 179 CE LYS A 14 -10.008 -2.062 15.612 1.00 0.00 C ATOM 180 NZ LYS A 14 -8.861 -2.646 16.351 1.00 0.00 N ATOM 0 H LYS A 14 -6.296 -2.176 13.151 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.438 -0.473 11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.085 -0.028 14.053 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.292 0.685 13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.339 -1.558 12.726 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.160 -2.224 13.839 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.013 -0.173 15.371 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.449 -0.355 14.383 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.772 -1.738 16.319 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.462 -2.824 14.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.204 -3.100 17.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.388 -3.355 15.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.186 -1.893 16.595 1.00 0.00 H new ATOM 194 N VAL A 15 -4.597 -0.028 12.344 1.00 0.00 N ATOM 195 CA VAL A 15 -3.387 0.724 12.575 1.00 0.00 C ATOM 196 C VAL A 15 -2.637 1.239 11.317 1.00 0.00 C ATOM 197 O VAL A 15 -1.687 0.657 10.823 1.00 0.00 O ATOM 198 CB VAL A 15 -2.495 -0.050 13.559 1.00 0.00 C ATOM 199 CG1 VAL A 15 -1.134 0.540 13.747 1.00 0.00 C ATOM 200 CG2 VAL A 15 -3.194 -0.148 14.877 1.00 0.00 C ATOM 0 H VAL A 15 -4.470 -1.030 12.488 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.694 1.668 13.025 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.332 -1.036 13.124 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.570 -0.066 14.456 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.611 0.561 12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.228 1.556 14.132 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.568 -0.696 15.581 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.384 0.853 15.263 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.141 -0.673 14.749 1.00 0.00 H new ATOM 210 N TYR A 16 -3.225 2.226 10.756 1.00 0.00 N ATOM 211 CA TYR A 16 -2.654 3.151 9.802 1.00 0.00 C ATOM 212 C TYR A 16 -3.218 4.500 10.226 1.00 0.00 C ATOM 213 O TYR A 16 -4.390 4.560 10.677 1.00 0.00 O ATOM 214 CB TYR A 16 -3.086 2.792 8.380 1.00 0.00 C ATOM 215 CG TYR A 16 -4.580 2.899 8.095 1.00 0.00 C ATOM 216 CD1 TYR A 16 -5.447 1.870 8.440 1.00 0.00 C ATOM 217 CD2 TYR A 16 -5.118 4.036 7.498 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.799 1.967 8.201 1.00 0.00 C ATOM 219 CE2 TYR A 16 -6.472 4.142 7.264 1.00 0.00 C ATOM 220 CZ TYR A 16 -7.306 3.104 7.616 1.00 0.00 C ATOM 221 OH TYR A 16 -8.654 3.216 7.413 1.00 0.00 O ATOM 0 H TYR A 16 -4.201 2.442 10.957 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.564 3.139 9.794 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.555 3.441 7.684 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.767 1.771 8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.053 0.978 8.904 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.464 4.847 7.214 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.458 1.155 8.471 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.876 5.033 6.808 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.851 4.079 6.992 1.00 0.00 H new ATOM 231 N CYS A 17 -2.479 5.543 10.136 1.00 0.00 N ATOM 232 CA CYS A 17 -2.974 6.800 10.617 1.00 0.00 C ATOM 233 C CYS A 17 -3.287 7.771 9.516 1.00 0.00 C ATOM 234 O CYS A 17 -3.266 7.429 8.346 1.00 0.00 O ATOM 235 CB CYS A 17 -2.011 7.383 11.631 1.00 0.00 C ATOM 236 SG CYS A 17 -0.445 8.068 11.013 1.00 0.00 S ATOM 0 H CYS A 17 -1.539 5.564 9.741 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.927 6.609 11.110 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.532 8.173 12.173 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.773 6.603 12.355 1.00 0.00 H new ATOM 241 N THR A 18 -3.669 8.937 9.922 1.00 0.00 N ATOM 242 CA THR A 18 -3.954 10.024 9.049 1.00 0.00 C ATOM 243 C THR A 18 -3.305 11.263 9.585 1.00 0.00 C ATOM 244 O THR A 18 -2.831 11.303 10.742 1.00 0.00 O ATOM 245 CB THR A 18 -5.490 10.253 8.860 1.00 0.00 C ATOM 246 OG1 THR A 18 -5.741 11.438 8.099 1.00 0.00 O ATOM 247 CG2 THR A 18 -6.197 10.348 10.190 1.00 0.00 C ATOM 0 H THR A 18 -3.795 9.166 10.908 1.00 0.00 H new ATOM 0 HA THR A 18 -3.551 9.782 8.066 1.00 0.00 H new ATOM 0 HB THR A 18 -5.880 9.392 8.317 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.760 11.216 7.145 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.263 10.507 10.025 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.050 9.423 10.747 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.789 11.183 10.760 1.00 0.00 H new ATOM 255 N ARG A 19 -3.342 12.246 8.772 1.00 0.00 N ATOM 256 CA ARG A 19 -2.767 13.539 9.022 1.00 0.00 C ATOM 257 C ARG A 19 -3.892 14.454 9.469 1.00 0.00 C ATOM 258 O ARG A 19 -3.672 15.470 10.131 1.00 0.00 O ATOM 259 CB ARG A 19 -2.114 14.091 7.739 1.00 0.00 C ATOM 260 CG ARG A 19 -3.129 14.296 6.641 1.00 0.00 C ATOM 261 CD ARG A 19 -2.583 14.893 5.372 1.00 0.00 C ATOM 262 NE ARG A 19 -3.708 15.195 4.500 1.00 0.00 N ATOM 263 CZ ARG A 19 -3.699 15.568 3.237 1.00 0.00 C ATOM 264 NH1 ARG A 19 -2.547 15.711 2.566 1.00 0.00 N ATOM 265 NH2 ARG A 19 -4.863 15.810 2.645 1.00 0.00 N ATOM 0 H ARG A 19 -3.795 12.183 7.860 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.994 13.473 9.788 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.620 15.037 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.342 13.401 7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.586 13.335 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.922 14.942 7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.015 15.798 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.900 14.197 4.886 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.631 15.105 4.926 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.659 15.530 3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.559 16.001 1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.733 15.705 3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.887 16.100 1.668 1.00 0.00 H new ATOM 279 N GLU A 20 -5.096 14.050 9.106 1.00 0.00 N ATOM 280 CA GLU A 20 -6.300 14.769 9.440 1.00 0.00 C ATOM 281 C GLU A 20 -6.549 14.653 10.932 1.00 0.00 C ATOM 282 O GLU A 20 -6.312 13.586 11.540 1.00 0.00 O ATOM 283 CB GLU A 20 -7.525 14.229 8.661 1.00 0.00 C ATOM 284 CG GLU A 20 -7.713 14.723 7.203 1.00 0.00 C ATOM 285 CD GLU A 20 -6.580 14.399 6.238 1.00 0.00 C ATOM 286 OE1 GLU A 20 -6.210 13.225 6.100 1.00 0.00 O ATOM 287 OE2 GLU A 20 -6.079 15.331 5.561 1.00 0.00 O ATOM 0 H GLU A 20 -5.261 13.202 8.564 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.165 15.813 9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.461 13.141 8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.423 14.486 9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.633 14.291 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.850 15.804 7.221 1.00 0.00 H new ATOM 294 N SER A 21 -6.985 15.722 11.542 1.00 0.00 N ATOM 295 CA SER A 21 -7.246 15.687 12.930 1.00 0.00 C ATOM 296 C SER A 21 -8.571 15.056 13.232 1.00 0.00 C ATOM 297 O SER A 21 -9.648 15.642 13.046 1.00 0.00 O ATOM 298 CB SER A 21 -7.131 17.023 13.550 1.00 0.00 C ATOM 299 OG SER A 21 -7.869 17.985 12.807 1.00 0.00 O ATOM 0 H SER A 21 -7.162 16.619 11.089 1.00 0.00 H new ATOM 0 HA SER A 21 -6.476 15.058 13.377 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.499 16.987 14.575 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.083 17.319 13.598 1.00 0.00 H new ATOM 0 HG SER A 21 -8.766 17.636 12.620 1.00 0.00 H new ATOM 305 N ASN A 22 -8.473 13.859 13.606 1.00 0.00 N ATOM 306 CA ASN A 22 -9.593 13.043 13.976 1.00 0.00 C ATOM 307 C ASN A 22 -9.530 12.783 15.458 1.00 0.00 C ATOM 308 O ASN A 22 -8.769 11.925 15.890 1.00 0.00 O ATOM 309 CB ASN A 22 -9.622 11.708 13.205 1.00 0.00 C ATOM 310 CG ASN A 22 -9.750 11.841 11.686 1.00 0.00 C ATOM 311 OD1 ASN A 22 -9.291 10.984 10.946 1.00 0.00 O ATOM 312 ND2 ASN A 22 -10.358 12.909 11.208 1.00 0.00 N ATOM 0 H ASN A 22 -7.579 13.373 13.675 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.508 13.577 13.719 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.710 11.156 13.431 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.456 11.111 13.574 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.453 13.033 10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.733 13.611 11.846 1.00 0.00 H new ATOM 319 N PRO A 23 -10.253 13.547 16.271 1.00 0.00 N ATOM 320 CA PRO A 23 -10.238 13.337 17.699 1.00 0.00 C ATOM 321 C PRO A 23 -11.033 12.086 18.059 1.00 0.00 C ATOM 322 O PRO A 23 -12.163 11.875 17.573 1.00 0.00 O ATOM 323 CB PRO A 23 -10.874 14.603 18.262 1.00 0.00 C ATOM 324 CG PRO A 23 -11.757 15.113 17.172 1.00 0.00 C ATOM 325 CD PRO A 23 -11.142 14.657 15.873 1.00 0.00 C ATOM 0 HA PRO A 23 -9.239 13.173 18.103 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.446 14.389 19.165 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.116 15.338 18.532 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.770 14.724 17.279 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.828 16.200 17.207 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.902 14.326 15.166 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.586 15.461 15.390 1.00 0.00 H new ATOM 333 N HIS A 24 -10.474 11.274 18.895 1.00 0.00 N ATOM 334 CA HIS A 24 -11.048 10.008 19.212 1.00 0.00 C ATOM 335 C HIS A 24 -10.865 9.722 20.636 1.00 0.00 C ATOM 336 O HIS A 24 -9.757 9.821 21.178 1.00 0.00 O ATOM 337 CB HIS A 24 -10.364 8.866 18.444 1.00 0.00 C ATOM 338 CG HIS A 24 -10.455 8.879 16.936 1.00 0.00 C ATOM 339 ND1 HIS A 24 -11.620 9.071 16.225 1.00 0.00 N ATOM 340 CD2 HIS A 24 -9.487 8.669 16.009 1.00 0.00 C ATOM 341 CE1 HIS A 24 -11.332 8.965 14.925 1.00 0.00 C ATOM 342 NE2 HIS A 24 -10.050 8.720 14.737 1.00 0.00 N ATOM 0 H HIS A 24 -9.599 11.472 19.381 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.102 10.063 18.940 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.308 8.864 18.716 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.786 7.925 18.797 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.444 8.490 16.224 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.056 9.067 14.130 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.571 8.594 13.845 1.00 0.00 H new ATOM 350 N CYS A 25 -11.928 9.401 21.232 1.00 0.00 N ATOM 351 CA CYS A 25 -11.914 8.852 22.521 1.00 0.00 C ATOM 352 C CYS A 25 -12.127 7.414 22.266 1.00 0.00 C ATOM 353 O CYS A 25 -13.203 7.014 21.821 1.00 0.00 O ATOM 354 CB CYS A 25 -13.029 9.365 23.421 1.00 0.00 C ATOM 355 SG CYS A 25 -12.849 8.756 25.162 1.00 0.00 S ATOM 0 H CYS A 25 -12.860 9.513 20.833 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.992 9.107 23.043 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -13.027 10.455 23.416 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.992 9.046 23.023 1.00 0.00 H new ATOM 360 N GLY A 26 -11.127 6.651 22.455 1.00 0.00 N ATOM 361 CA GLY A 26 -11.193 5.297 22.135 1.00 0.00 C ATOM 362 C GLY A 26 -11.962 4.540 23.134 1.00 0.00 C ATOM 363 O GLY A 26 -12.215 5.018 24.254 1.00 0.00 O ATOM 0 H GLY A 26 -10.233 6.957 22.840 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.653 5.177 21.154 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.184 4.889 22.067 1.00 0.00 H new ATOM 367 N SER A 27 -12.354 3.388 22.742 1.00 0.00 N ATOM 368 CA SER A 27 -13.046 2.456 23.602 1.00 0.00 C ATOM 369 C SER A 27 -12.157 2.098 24.810 1.00 0.00 C ATOM 370 O SER A 27 -12.650 1.748 25.866 1.00 0.00 O ATOM 371 CB SER A 27 -13.405 1.192 22.827 1.00 0.00 C ATOM 372 OG SER A 27 -14.091 1.525 21.640 1.00 0.00 O ATOM 0 H SER A 27 -12.208 3.041 21.794 1.00 0.00 H new ATOM 0 HA SER A 27 -13.964 2.921 23.960 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.500 0.634 22.588 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.026 0.543 23.444 1.00 0.00 H new ATOM 0 HG SER A 27 -14.558 2.378 21.760 1.00 0.00 H new ATOM 378 N ASP A 28 -10.832 2.291 24.635 1.00 0.00 N ATOM 379 CA ASP A 28 -9.829 2.024 25.660 1.00 0.00 C ATOM 380 C ASP A 28 -9.747 3.177 26.613 1.00 0.00 C ATOM 381 O ASP A 28 -8.899 3.254 27.476 1.00 0.00 O ATOM 382 CB ASP A 28 -8.493 1.676 25.000 1.00 0.00 C ATOM 383 CG ASP A 28 -7.428 1.132 25.937 1.00 0.00 C ATOM 384 OD1 ASP A 28 -7.636 0.045 26.534 1.00 0.00 O ATOM 385 OD2 ASP A 28 -6.327 1.707 25.985 1.00 0.00 O ATOM 0 H ASP A 28 -10.435 2.641 23.763 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.116 1.157 26.255 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.674 0.940 24.217 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.103 2.570 24.513 1.00 0.00 H new ATOM 390 N GLY A 29 -10.649 4.108 26.425 1.00 0.00 N ATOM 391 CA GLY A 29 -10.767 5.199 27.331 1.00 0.00 C ATOM 392 C GLY A 29 -9.937 6.336 26.917 1.00 0.00 C ATOM 393 O GLY A 29 -10.272 7.488 27.181 1.00 0.00 O ATOM 0 H GLY A 29 -11.309 4.123 25.648 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.809 5.512 27.391 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.472 4.877 28.330 1.00 0.00 H new ATOM 397 N GLN A 30 -8.897 6.020 26.221 1.00 0.00 N ATOM 398 CA GLN A 30 -7.941 7.013 25.814 1.00 0.00 C ATOM 399 C GLN A 30 -8.402 7.926 24.745 1.00 0.00 C ATOM 400 O GLN A 30 -9.174 7.571 23.900 1.00 0.00 O ATOM 401 CB GLN A 30 -6.656 6.386 25.433 1.00 0.00 C ATOM 402 CG GLN A 30 -6.016 5.852 26.616 1.00 0.00 C ATOM 403 CD GLN A 30 -4.683 5.188 26.327 1.00 0.00 C ATOM 404 OE1 GLN A 30 -3.645 5.845 26.327 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.684 3.897 26.109 1.00 0.00 N ATOM 0 H GLN A 30 -8.680 5.071 25.915 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.804 7.641 26.694 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.827 5.591 24.708 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.008 7.120 24.954 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.865 6.658 27.334 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.681 5.127 27.085 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.563 3.379 26.116 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.806 3.409 25.933 1.00 0.00 H new ATOM 414 N THR A 31 -7.949 9.122 24.839 1.00 0.00 N ATOM 415 CA THR A 31 -8.264 10.138 23.859 1.00 0.00 C ATOM 416 C THR A 31 -7.018 10.659 23.178 1.00 0.00 C ATOM 417 O THR A 31 -6.012 10.934 23.836 1.00 0.00 O ATOM 418 CB THR A 31 -9.039 11.332 24.452 1.00 0.00 C ATOM 419 OG1 THR A 31 -10.288 10.882 25.019 1.00 0.00 O ATOM 420 CG2 THR A 31 -9.302 12.402 23.364 1.00 0.00 C ATOM 0 H THR A 31 -7.345 9.442 25.596 1.00 0.00 H new ATOM 0 HA THR A 31 -8.906 9.642 23.131 1.00 0.00 H new ATOM 0 HB THR A 31 -8.434 11.780 25.240 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.380 11.234 25.929 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.850 13.237 23.800 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.352 12.759 22.967 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.890 11.964 22.558 1.00 0.00 H new ATOM 428 N TYR A 32 -7.077 10.766 21.878 1.00 0.00 N ATOM 429 CA TYR A 32 -6.039 11.386 21.127 1.00 0.00 C ATOM 430 C TYR A 32 -6.585 12.362 20.105 1.00 0.00 C ATOM 431 O TYR A 32 -7.735 12.249 19.660 1.00 0.00 O ATOM 432 CB TYR A 32 -5.078 10.395 20.515 1.00 0.00 C ATOM 433 CG TYR A 32 -4.030 9.884 21.482 1.00 0.00 C ATOM 434 CD1 TYR A 32 -2.968 10.695 21.852 1.00 0.00 C ATOM 435 CD2 TYR A 32 -4.076 8.597 21.992 1.00 0.00 C ATOM 436 CE1 TYR A 32 -1.984 10.239 22.695 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.099 8.134 22.845 1.00 0.00 C ATOM 438 CZ TYR A 32 -2.054 8.961 23.191 1.00 0.00 C ATOM 439 OH TYR A 32 -1.043 8.493 24.005 1.00 0.00 O ATOM 0 H TYR A 32 -7.854 10.421 21.315 1.00 0.00 H new ATOM 0 HA TYR A 32 -5.453 11.965 21.841 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.643 9.548 20.125 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.579 10.863 19.667 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.913 11.704 21.470 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.892 7.946 21.716 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.160 10.882 22.966 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.152 7.130 23.239 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.240 7.572 24.274 1.00 0.00 H new ATOM 449 N GLY A 33 -5.755 13.338 19.803 1.00 0.00 N ATOM 450 CA GLY A 33 -6.073 14.431 18.882 1.00 0.00 C ATOM 451 C GLY A 33 -6.298 14.013 17.436 1.00 0.00 C ATOM 452 O GLY A 33 -7.121 14.608 16.748 1.00 0.00 O ATOM 0 H GLY A 33 -4.816 13.403 20.196 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.969 14.938 19.241 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.261 15.158 18.912 1.00 0.00 H new ATOM 456 N ASN A 34 -5.545 13.043 16.952 1.00 0.00 N ATOM 457 CA ASN A 34 -5.765 12.541 15.622 1.00 0.00 C ATOM 458 C ASN A 34 -5.554 11.060 15.649 1.00 0.00 C ATOM 459 O ASN A 34 -5.141 10.519 16.686 1.00 0.00 O ATOM 460 CB ASN A 34 -4.913 13.261 14.514 1.00 0.00 C ATOM 461 CG ASN A 34 -3.401 13.037 14.551 1.00 0.00 C ATOM 462 OD1 ASN A 34 -2.918 12.011 14.980 1.00 0.00 O ATOM 463 ND2 ASN A 34 -2.654 13.992 14.055 1.00 0.00 N ATOM 0 H ASN A 34 -4.783 12.594 17.460 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.791 12.766 15.330 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.280 12.938 13.540 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.099 14.333 14.585 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.640 13.882 14.023 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.086 14.845 13.701 1.00 0.00 H new ATOM 470 N LYS A 35 -5.788 10.391 14.549 1.00 0.00 N ATOM 471 CA LYS A 35 -5.708 8.944 14.552 1.00 0.00 C ATOM 472 C LYS A 35 -4.310 8.452 14.756 1.00 0.00 C ATOM 473 O LYS A 35 -4.081 7.471 15.404 1.00 0.00 O ATOM 474 CB LYS A 35 -6.288 8.341 13.310 1.00 0.00 C ATOM 475 CG LYS A 35 -6.472 6.835 13.416 1.00 0.00 C ATOM 476 CD LYS A 35 -6.902 6.204 12.116 1.00 0.00 C ATOM 477 CE LYS A 35 -7.054 4.704 12.293 1.00 0.00 C ATOM 478 NZ LYS A 35 -7.187 4.005 11.000 1.00 0.00 N ATOM 0 H LYS A 35 -6.032 10.811 13.652 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.309 8.618 15.401 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.251 8.806 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.637 8.564 12.465 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.536 6.382 13.742 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.215 6.618 14.183 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.846 6.637 11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.167 6.414 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.189 4.313 12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.930 4.499 12.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.968 2.996 11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.161 4.106 10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.526 4.419 10.312 1.00 0.00 H new ATOM 492 N CYS A 36 -3.424 9.142 14.202 1.00 0.00 N ATOM 493 CA CYS A 36 -1.985 8.829 14.270 1.00 0.00 C ATOM 494 C CYS A 36 -1.497 8.883 15.679 1.00 0.00 C ATOM 495 O CYS A 36 -0.738 8.032 16.149 1.00 0.00 O ATOM 496 CB CYS A 36 -1.202 9.794 13.394 1.00 0.00 C ATOM 497 SG CYS A 36 0.292 9.066 12.638 1.00 0.00 S ATOM 0 H CYS A 36 -3.632 9.979 13.658 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.831 7.815 13.900 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.855 10.161 12.602 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.910 10.657 13.993 1.00 0.00 H new ATOM 502 N ALA A 37 -2.033 9.816 16.349 1.00 0.00 N ATOM 503 CA ALA A 37 -1.735 10.088 17.734 1.00 0.00 C ATOM 504 C ALA A 37 -2.149 8.902 18.599 1.00 0.00 C ATOM 505 O ALA A 37 -1.481 8.551 19.574 1.00 0.00 O ATOM 506 CB ALA A 37 -2.506 11.313 18.135 1.00 0.00 C ATOM 0 H ALA A 37 -2.725 10.453 15.953 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.666 10.250 17.870 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.302 11.546 19.180 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.204 12.154 17.510 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.573 11.130 18.006 1.00 0.00 H new ATOM 512 N PHE A 38 -3.237 8.293 18.224 1.00 0.00 N ATOM 513 CA PHE A 38 -3.789 7.165 18.962 1.00 0.00 C ATOM 514 C PHE A 38 -3.263 5.854 18.410 1.00 0.00 C ATOM 515 O PHE A 38 -3.148 4.902 19.123 1.00 0.00 O ATOM 516 CB PHE A 38 -5.315 7.185 18.832 1.00 0.00 C ATOM 517 CG PHE A 38 -6.080 6.569 19.979 1.00 0.00 C ATOM 518 CD1 PHE A 38 -5.518 5.605 20.805 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.366 6.971 20.224 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.228 5.065 21.845 1.00 0.00 C ATOM 521 CE2 PHE A 38 -8.081 6.436 21.256 1.00 0.00 C ATOM 522 CZ PHE A 38 -7.513 5.479 22.072 1.00 0.00 C ATOM 0 H PHE A 38 -3.776 8.556 17.399 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.493 7.249 20.008 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.638 8.220 18.719 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.590 6.664 17.915 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.505 5.276 20.625 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.820 7.721 19.593 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.777 4.318 22.481 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.095 6.763 21.435 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.081 5.057 22.888 1.00 0.00 H new ATOM 532 N CYS A 39 -2.885 5.869 17.173 1.00 0.00 N ATOM 533 CA CYS A 39 -2.533 4.682 16.390 1.00 0.00 C ATOM 534 C CYS A 39 -1.534 3.841 17.090 1.00 0.00 C ATOM 535 O CYS A 39 -1.797 2.696 17.353 1.00 0.00 O ATOM 536 CB CYS A 39 -2.053 5.114 15.005 1.00 0.00 C ATOM 537 SG CYS A 39 -1.956 3.802 13.773 1.00 0.00 S ATOM 0 H CYS A 39 -2.803 6.734 16.639 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.420 4.059 16.271 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.723 5.889 14.633 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.067 5.567 15.106 1.00 0.00 H new ATOM 542 N LYS A 40 -0.476 4.447 17.530 1.00 0.00 N ATOM 543 CA LYS A 40 0.593 3.779 18.147 1.00 0.00 C ATOM 544 C LYS A 40 0.260 3.231 19.475 1.00 0.00 C ATOM 545 O LYS A 40 0.822 2.257 19.932 1.00 0.00 O ATOM 546 CB LYS A 40 1.771 4.678 18.198 1.00 0.00 C ATOM 547 CG LYS A 40 1.587 6.167 18.623 1.00 0.00 C ATOM 548 CD LYS A 40 1.228 6.338 20.092 1.00 0.00 C ATOM 549 CE LYS A 40 1.262 7.799 20.524 1.00 0.00 C ATOM 550 NZ LYS A 40 0.851 7.975 21.948 1.00 0.00 N ATOM 0 H LYS A 40 -0.342 5.456 17.460 1.00 0.00 H new ATOM 0 HA LYS A 40 0.830 2.906 17.539 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.493 4.231 18.881 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.226 4.676 17.207 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.508 6.712 18.416 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.806 6.618 18.011 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.233 5.930 20.271 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.923 5.763 20.704 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.269 8.193 20.387 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.601 8.382 19.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.446 8.702 22.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.145 8.271 21.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.965 7.075 22.456 1.00 0.00 H new ATOM 564 N ALA A 41 -0.601 3.873 20.063 1.00 0.00 N ATOM 565 CA ALA A 41 -1.114 3.509 21.337 1.00 0.00 C ATOM 566 C ALA A 41 -2.101 2.411 21.206 1.00 0.00 C ATOM 567 O ALA A 41 -2.261 1.623 22.126 1.00 0.00 O ATOM 568 CB ALA A 41 -1.804 4.613 21.879 1.00 0.00 C ATOM 0 H ALA A 41 -1.019 4.722 19.683 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.281 3.196 21.967 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.203 4.348 22.858 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.119 5.455 21.983 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.623 4.891 21.216 1.00 0.00 H new ATOM 574 N ILE A 42 -2.770 2.336 20.056 1.00 0.00 N ATOM 575 CA ILE A 42 -3.697 1.254 19.821 1.00 0.00 C ATOM 576 C ILE A 42 -2.896 0.037 19.805 1.00 0.00 C ATOM 577 O ILE A 42 -3.181 -0.944 20.471 1.00 0.00 O ATOM 578 CB ILE A 42 -4.364 1.483 18.494 1.00 0.00 C ATOM 579 CG1 ILE A 42 -5.299 2.611 18.703 1.00 0.00 C ATOM 580 CG2 ILE A 42 -5.050 0.229 18.008 1.00 0.00 C ATOM 581 CD1 ILE A 42 -5.638 3.352 17.487 1.00 0.00 C ATOM 0 H ILE A 42 -2.683 3.004 19.290 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.475 1.185 20.582 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.647 1.729 17.710 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.217 2.227 19.147 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.860 3.301 19.423 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.524 0.423 17.046 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.315 -0.568 17.896 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.807 -0.075 18.731 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.327 4.160 17.733 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.731 3.770 17.051 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.109 2.679 16.770 1.00 0.00 H new ATOM 593 N VAL A 43 -1.828 0.195 19.146 1.00 0.00 N ATOM 594 CA VAL A 43 -0.795 -0.779 19.035 1.00 0.00 C ATOM 595 C VAL A 43 -0.270 -1.190 20.406 1.00 0.00 C ATOM 596 O VAL A 43 0.022 -2.356 20.633 1.00 0.00 O ATOM 597 CB VAL A 43 0.350 -0.185 18.249 1.00 0.00 C ATOM 598 CG1 VAL A 43 1.457 -1.166 18.007 1.00 0.00 C ATOM 599 CG2 VAL A 43 -0.152 0.384 16.980 1.00 0.00 C ATOM 0 H VAL A 43 -1.624 1.053 18.633 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.205 -1.658 18.538 1.00 0.00 H new ATOM 0 HB VAL A 43 0.783 0.614 18.851 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.252 -0.684 17.438 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.852 -1.511 18.962 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.073 -2.017 17.444 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.679 0.811 16.419 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.623 -0.402 16.390 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.883 1.164 17.195 1.00 0.00 H new ATOM 609 N LYS A 44 -0.192 -0.241 21.316 1.00 0.00 N ATOM 610 CA LYS A 44 0.408 -0.503 22.600 1.00 0.00 C ATOM 611 C LYS A 44 -0.546 -1.152 23.550 1.00 0.00 C ATOM 612 O LYS A 44 -0.180 -2.029 24.307 1.00 0.00 O ATOM 613 CB LYS A 44 0.947 0.770 23.199 1.00 0.00 C ATOM 614 CG LYS A 44 2.101 1.392 22.427 1.00 0.00 C ATOM 615 CD LYS A 44 3.305 0.467 22.314 1.00 0.00 C ATOM 616 CE LYS A 44 4.264 0.963 21.245 1.00 0.00 C ATOM 617 NZ LYS A 44 3.621 0.958 19.913 1.00 0.00 N ATOM 0 H LYS A 44 -0.535 0.711 21.188 1.00 0.00 H new ATOM 0 HA LYS A 44 1.229 -1.201 22.432 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.137 1.497 23.265 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.276 0.566 24.218 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.760 1.660 21.427 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.404 2.316 22.919 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.819 0.412 23.274 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.973 -0.543 22.072 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.596 1.972 21.489 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.152 0.331 21.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.268 0.535 19.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.744 0.401 19.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.399 1.934 19.631 1.00 0.00 H new ATOM 631 N SER A 45 -1.747 -0.720 23.493 1.00 0.00 N ATOM 632 CA SER A 45 -2.747 -1.182 24.397 1.00 0.00 C ATOM 633 C SER A 45 -3.340 -2.535 23.938 1.00 0.00 C ATOM 634 O SER A 45 -3.992 -3.222 24.721 1.00 0.00 O ATOM 635 CB SER A 45 -3.816 -0.098 24.579 1.00 0.00 C ATOM 636 OG SER A 45 -4.680 -0.367 25.669 1.00 0.00 O ATOM 0 H SER A 45 -2.075 -0.031 22.816 1.00 0.00 H new ATOM 0 HA SER A 45 -2.293 -1.370 25.370 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.330 0.865 24.734 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.404 -0.015 23.665 1.00 0.00 H new ATOM 0 HG SER A 45 -5.021 0.477 26.032 1.00 0.00 H new ATOM 642 N GLY A 46 -3.106 -2.935 22.683 1.00 0.00 N ATOM 643 CA GLY A 46 -3.545 -4.203 22.280 1.00 0.00 C ATOM 644 C GLY A 46 -4.347 -4.273 21.039 1.00 0.00 C ATOM 645 O GLY A 46 -4.777 -5.342 20.651 1.00 0.00 O ATOM 0 H GLY A 46 -2.624 -2.388 21.970 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.670 -4.840 22.154 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.136 -4.630 23.090 1.00 0.00 H new ATOM 649 N GLY A 47 -4.573 -3.167 20.429 1.00 0.00 N ATOM 650 CA GLY A 47 -5.413 -3.145 19.270 1.00 0.00 C ATOM 651 C GLY A 47 -6.863 -3.242 19.659 1.00 0.00 C ATOM 652 O GLY A 47 -7.739 -3.344 18.799 1.00 0.00 O ATOM 0 H GLY A 47 -4.193 -2.262 20.706 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.243 -2.226 18.710 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.153 -3.973 18.611 1.00 0.00 H new ATOM 656 N LYS A 48 -7.118 -3.200 20.990 1.00 0.00 N ATOM 657 CA LYS A 48 -8.462 -3.231 21.535 1.00 0.00 C ATOM 658 C LYS A 48 -9.265 -2.104 20.968 1.00 0.00 C ATOM 659 O LYS A 48 -10.470 -2.212 20.737 1.00 0.00 O ATOM 660 CB LYS A 48 -8.411 -2.872 22.978 1.00 0.00 C ATOM 661 CG LYS A 48 -7.591 -3.671 23.930 1.00 0.00 C ATOM 662 CD LYS A 48 -7.167 -2.663 24.953 1.00 0.00 C ATOM 663 CE LYS A 48 -6.620 -3.210 26.240 1.00 0.00 C ATOM 664 NZ LYS A 48 -6.185 -2.078 27.095 1.00 0.00 N ATOM 0 H LYS A 48 -6.387 -3.144 21.699 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.874 -4.218 21.326 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.062 -1.841 23.040 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.436 -2.884 23.348 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.169 -4.479 24.378 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.733 -4.128 23.436 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.410 -2.019 24.506 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.024 -2.032 25.187 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.380 -3.800 26.753 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.781 -3.876 26.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.851 -2.442 28.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.413 -1.564 26.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.986 -1.433 27.251 1.00 0.00 H new ATOM 678 N ILE A 49 -8.569 -1.004 20.792 1.00 0.00 N ATOM 679 CA ILE A 49 -9.184 0.246 20.537 1.00 0.00 C ATOM 680 C ILE A 49 -10.031 0.262 19.284 1.00 0.00 C ATOM 681 O ILE A 49 -9.648 -0.195 18.209 1.00 0.00 O ATOM 682 CB ILE A 49 -8.190 1.435 20.489 1.00 0.00 C ATOM 683 CG1 ILE A 49 -7.264 1.548 21.716 1.00 0.00 C ATOM 684 CG2 ILE A 49 -8.947 2.760 20.337 1.00 0.00 C ATOM 685 CD1 ILE A 49 -6.263 0.442 21.929 1.00 0.00 C ATOM 0 H ILE A 49 -7.550 -0.968 20.825 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.838 0.379 21.399 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.556 1.233 19.625 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.717 2.488 21.641 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.890 1.613 22.606 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.235 3.584 20.305 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.526 2.744 19.414 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.619 2.894 21.184 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.678 0.648 22.826 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.788 -0.506 22.048 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.598 0.383 21.068 1.00 0.00 H new ATOM 697 N SER A 50 -11.160 0.775 19.506 1.00 0.00 N ATOM 698 CA SER A 50 -12.156 1.116 18.573 1.00 0.00 C ATOM 699 C SER A 50 -12.622 2.435 19.091 1.00 0.00 C ATOM 700 O SER A 50 -12.073 2.908 20.108 1.00 0.00 O ATOM 701 CB SER A 50 -13.287 0.103 18.584 1.00 0.00 C ATOM 702 OG SER A 50 -12.800 -1.199 18.281 1.00 0.00 O ATOM 0 H SER A 50 -11.452 0.996 20.458 1.00 0.00 H new ATOM 0 HA SER A 50 -11.802 1.142 17.542 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.768 0.098 19.562 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.046 0.391 17.857 1.00 0.00 H new ATOM 0 HG SER A 50 -13.543 -1.838 18.295 1.00 0.00 H new ATOM 708 N LEU A 51 -13.518 3.068 18.468 1.00 0.00 N ATOM 709 CA LEU A 51 -13.921 4.242 18.919 1.00 0.00 C ATOM 710 C LEU A 51 -15.109 4.214 19.860 1.00 0.00 C ATOM 711 O LEU A 51 -16.031 3.428 19.698 1.00 0.00 O ATOM 712 CB LEU A 51 -14.220 5.081 17.812 1.00 0.00 C ATOM 713 CG LEU A 51 -14.364 6.426 18.240 1.00 0.00 C ATOM 714 CD1 LEU A 51 -13.051 6.878 18.764 1.00 0.00 C ATOM 715 CD2 LEU A 51 -14.857 7.217 17.178 1.00 0.00 C ATOM 0 H LEU A 51 -13.978 2.746 17.616 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.094 4.622 19.519 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.426 5.011 17.069 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -15.138 4.745 17.330 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.095 6.522 19.043 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.130 7.911 19.102 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.755 6.245 19.600 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.302 6.810 17.975 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.965 8.249 17.513 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.159 7.178 16.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.827 6.835 16.860 1.00 0.00 H new ATOM 727 N LYS A 52 -15.023 5.058 20.867 1.00 0.00 N ATOM 728 CA LYS A 52 -16.032 5.340 21.708 1.00 0.00 C ATOM 729 C LYS A 52 -16.733 6.611 21.238 1.00 0.00 C ATOM 730 O LYS A 52 -17.928 6.630 21.010 1.00 0.00 O ATOM 731 CB LYS A 52 -15.441 5.521 23.066 1.00 0.00 C ATOM 732 CG LYS A 52 -16.388 6.082 23.991 1.00 0.00 C ATOM 733 CD LYS A 52 -15.734 6.681 25.223 1.00 0.00 C ATOM 734 CE LYS A 52 -14.866 5.708 25.994 1.00 0.00 C ATOM 735 NZ LYS A 52 -14.135 6.411 27.080 1.00 0.00 N ATOM 0 H LYS A 52 -14.167 5.568 21.084 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.771 4.540 21.734 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.092 4.559 23.442 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.569 6.172 22.999 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.969 6.853 23.484 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.089 5.306 24.300 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.126 7.534 24.921 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.511 7.062 25.885 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.484 4.916 26.417 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.156 5.231 25.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.780 5.715 27.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.334 6.937 26.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.778 7.073 27.559 1.00 0.00 H new ATOM 749 N HIS A 53 -15.958 7.631 21.045 1.00 0.00 N ATOM 750 CA HIS A 53 -16.507 8.965 20.735 1.00 0.00 C ATOM 751 C HIS A 53 -15.672 9.685 19.710 1.00 0.00 C ATOM 752 O HIS A 53 -14.433 9.602 19.745 1.00 0.00 O ATOM 753 CB HIS A 53 -16.544 9.915 21.970 1.00 0.00 C ATOM 754 CG HIS A 53 -17.435 9.555 23.124 1.00 0.00 C ATOM 755 ND1 HIS A 53 -17.207 9.993 24.411 1.00 0.00 N ATOM 756 CD2 HIS A 53 -18.591 8.852 23.174 1.00 0.00 C ATOM 757 CE1 HIS A 53 -18.200 9.557 25.182 1.00 0.00 C ATOM 758 NE2 HIS A 53 -19.069 8.857 24.485 1.00 0.00 N ATOM 0 H HIS A 53 -14.940 7.592 21.091 1.00 0.00 H new ATOM 0 HA HIS A 53 -17.515 8.760 20.376 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.527 10.003 22.351 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -16.839 10.904 21.619 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.413 10.555 24.719 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -19.066 8.366 22.335 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.282 9.752 26.241 1.00 0.00 H new ATOM 766 N PRO A 54 -16.315 10.377 18.760 1.00 0.00 N ATOM 767 CA PRO A 54 -15.631 11.326 17.917 1.00 0.00 C ATOM 768 C PRO A 54 -15.441 12.595 18.746 1.00 0.00 C ATOM 769 O PRO A 54 -16.403 13.288 19.073 1.00 0.00 O ATOM 770 CB PRO A 54 -16.607 11.578 16.750 1.00 0.00 C ATOM 771 CG PRO A 54 -17.758 10.644 16.968 1.00 0.00 C ATOM 772 CD PRO A 54 -17.741 10.278 18.422 1.00 0.00 C ATOM 0 HA PRO A 54 -14.660 10.994 17.551 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.942 12.615 16.738 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -16.126 11.388 15.791 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.701 11.121 16.699 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.660 9.756 16.343 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.347 10.959 19.019 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.129 9.274 18.592 1.00 0.00 H new ATOM 780 N GLY A 55 -14.232 12.863 19.098 1.00 0.00 N ATOM 781 CA GLY A 55 -13.945 13.912 20.025 1.00 0.00 C ATOM 782 C GLY A 55 -13.329 13.306 21.241 1.00 0.00 C ATOM 783 O GLY A 55 -13.207 12.081 21.319 1.00 0.00 O ATOM 0 H GLY A 55 -13.412 12.364 18.754 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.267 14.639 19.578 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.858 14.447 20.288 1.00 0.00 H new ATOM 787 N LYS A 56 -12.883 14.119 22.151 1.00 0.00 N ATOM 788 CA LYS A 56 -12.344 13.642 23.363 1.00 0.00 C ATOM 789 C LYS A 56 -13.443 13.183 24.290 1.00 0.00 C ATOM 790 O LYS A 56 -14.631 13.373 24.028 1.00 0.00 O ATOM 791 CB LYS A 56 -11.578 14.769 24.073 1.00 0.00 C ATOM 792 CG LYS A 56 -12.474 15.805 24.733 1.00 0.00 C ATOM 793 CD LYS A 56 -11.670 16.742 25.620 1.00 0.00 C ATOM 794 CE LYS A 56 -12.548 17.425 26.670 1.00 0.00 C ATOM 795 NZ LYS A 56 -13.128 16.452 27.649 1.00 0.00 N ATOM 0 H LYS A 56 -12.888 15.135 22.061 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.680 12.810 23.128 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.927 14.331 24.830 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.934 15.269 23.349 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.993 16.381 23.967 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.238 15.303 25.327 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.878 16.181 26.117 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.185 17.499 25.004 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.957 18.168 27.206 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.356 17.960 26.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.357 16.946 28.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.993 16.034 27.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.437 15.699 27.841 1.00 0.00 H new ATOM 809 N CYS A 57 -13.034 12.594 25.344 1.00 0.00 N ATOM 810 CA CYS A 57 -13.917 12.359 26.432 1.00 0.00 C ATOM 811 C CYS A 57 -13.797 13.541 27.373 1.00 0.00 C ATOM 812 O CYS A 57 -12.760 13.693 28.041 1.00 0.00 O ATOM 813 CB CYS A 57 -13.663 11.018 27.113 1.00 0.00 C ATOM 814 SG CYS A 57 -14.379 9.584 26.203 1.00 0.00 S ATOM 815 OXT CYS A 57 -14.683 14.419 27.347 1.00 0.00 O ATOM 0 H CYS A 57 -12.081 12.259 25.485 1.00 0.00 H new ATOM 0 HA CYS A 57 -14.944 12.281 26.075 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -12.588 10.871 27.219 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -14.082 11.045 28.119 1.00 0.00 H new TER 820 CYS A 57