USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 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 NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 21 GLN : amide:sc= -0.203 X(o=-0.52,f=-0.83) USER MOD Set 1.2: A 27 ASN : amide:sc= -0.321 K(o=-0.52,f=-1.8) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HE2:sc= 0.181 K(o=0.18,f=-1.3) USER MOD Single : A 3 MET CE :methyl -173:sc= -1.04 (180deg=-1.13) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.397 K(o=-0.4,f=-2.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.033 K(o=-0.033,f=-0.78) USER MOD Single : A 32 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.21) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -175:sc= -0.413 (180deg=-0.496) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= -0.334 (180deg=-1.57!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.508 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -160:sc= -0.217 USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= -0.938 (180deg=-1.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.554 8.739 -3.163 1.00 0.00 N ATOM 2 CA SER A 1 2.368 7.292 -2.928 1.00 0.00 C ATOM 3 C SER A 1 2.564 6.518 -4.246 1.00 0.00 C ATOM 4 O SER A 1 1.622 6.347 -5.034 1.00 0.00 O ATOM 5 CB SER A 1 0.971 7.013 -2.312 1.00 0.00 C ATOM 6 OG SER A 1 0.773 5.632 -2.050 1.00 0.00 O ATOM 0 H1 SER A 1 2.421 9.256 -2.270 1.00 0.00 H new ATOM 0 H2 SER A 1 3.514 8.912 -3.523 1.00 0.00 H new ATOM 0 H3 SER A 1 1.858 9.070 -3.862 1.00 0.00 H new ATOM 0 HA SER A 1 3.116 6.948 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.864 7.577 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.197 7.368 -2.993 1.00 0.00 H new ATOM 0 HG SER A 1 -0.117 5.497 -1.662 1.00 0.00 H new ATOM 14 N HIS A 2 3.817 6.102 -4.492 1.00 0.00 N ATOM 15 CA HIS A 2 4.203 5.253 -5.631 1.00 0.00 C ATOM 16 C HIS A 2 4.968 4.038 -5.095 1.00 0.00 C ATOM 17 O HIS A 2 5.999 4.194 -4.426 1.00 0.00 O ATOM 18 CB HIS A 2 5.074 6.029 -6.660 1.00 0.00 C ATOM 19 CG HIS A 2 4.326 7.084 -7.430 1.00 0.00 C ATOM 20 ND1 HIS A 2 3.611 6.831 -8.581 1.00 0.00 N ATOM 21 CD2 HIS A 2 4.191 8.415 -7.198 1.00 0.00 C ATOM 22 CE1 HIS A 2 3.079 7.981 -9.001 1.00 0.00 C ATOM 23 NE2 HIS A 2 3.404 8.976 -8.196 1.00 0.00 N ATOM 0 H HIS A 2 4.605 6.351 -3.894 1.00 0.00 H new ATOM 0 HA HIS A 2 3.302 4.933 -6.154 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.905 6.499 -6.134 1.00 0.00 H new ATOM 0 HB3 HIS A 2 5.504 5.317 -7.365 1.00 0.00 H new ATOM 0 HD1 HIS A 2 3.507 5.923 -9.033 1.00 0.00 H new ATOM 0 HD2 HIS A 2 4.627 8.953 -6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 2 2.464 8.084 -9.883 1.00 0.00 H new ATOM 31 N MET A 3 4.440 2.843 -5.383 1.00 0.00 N ATOM 32 CA MET A 3 5.028 1.560 -4.964 1.00 0.00 C ATOM 33 C MET A 3 6.194 1.177 -5.912 1.00 0.00 C ATOM 34 O MET A 3 6.430 1.860 -6.930 1.00 0.00 O ATOM 35 CB MET A 3 3.879 0.492 -4.924 1.00 0.00 C ATOM 36 CG MET A 3 4.196 -0.834 -4.192 1.00 0.00 C ATOM 37 SD MET A 3 5.025 -2.057 -5.235 1.00 0.00 S ATOM 38 CE MET A 3 3.751 -2.396 -6.452 1.00 0.00 C ATOM 0 H MET A 3 3.580 2.736 -5.921 1.00 0.00 H new ATOM 0 HA MET A 3 5.463 1.624 -3.967 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.009 0.945 -4.449 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.596 0.256 -5.950 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.824 -0.621 -3.327 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.267 -1.261 -3.814 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.067 -3.222 -7.089 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.825 -2.664 -5.944 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.586 -1.509 -7.063 1.00 0.00 H new ATOM 48 N CYS A 4 6.933 0.103 -5.552 1.00 0.00 N ATOM 49 CA CYS A 4 8.083 -0.451 -6.316 1.00 0.00 C ATOM 50 C CYS A 4 9.352 0.436 -6.134 1.00 0.00 C ATOM 51 O CYS A 4 9.233 1.631 -5.847 1.00 0.00 O ATOM 52 CB CYS A 4 7.758 -0.667 -7.843 1.00 0.00 C ATOM 53 SG CYS A 4 5.994 -0.718 -8.293 1.00 0.00 S ATOM 0 H CYS A 4 6.743 -0.420 -4.697 1.00 0.00 H new ATOM 0 HA CYS A 4 8.286 -1.438 -5.901 1.00 0.00 H new ATOM 0 HB2 CYS A 4 8.233 0.133 -8.410 1.00 0.00 H new ATOM 0 HB3 CYS A 4 8.220 -1.601 -8.162 1.00 0.00 H new ATOM 58 N PRO A 5 10.602 -0.122 -6.330 1.00 0.00 N ATOM 59 CA PRO A 5 11.862 0.677 -6.278 1.00 0.00 C ATOM 60 C PRO A 5 12.121 1.511 -7.562 1.00 0.00 C ATOM 61 O PRO A 5 13.200 2.104 -7.715 1.00 0.00 O ATOM 62 CB PRO A 5 12.942 -0.417 -6.090 1.00 0.00 C ATOM 63 CG PRO A 5 12.389 -1.603 -6.820 1.00 0.00 C ATOM 64 CD PRO A 5 10.894 -1.572 -6.565 1.00 0.00 C ATOM 0 HA PRO A 5 11.841 1.428 -5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.901 -0.106 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.106 -0.639 -5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.607 -1.545 -7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.831 -2.530 -6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.335 -1.960 -7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.623 -2.180 -5.702 1.00 0.00 H new ATOM 72 N ALA A 6 11.122 1.543 -8.471 1.00 0.00 N ATOM 73 CA ALA A 6 11.213 2.264 -9.750 1.00 0.00 C ATOM 74 C ALA A 6 10.855 3.745 -9.517 1.00 0.00 C ATOM 75 O ALA A 6 9.750 4.046 -9.052 1.00 0.00 O ATOM 76 CB ALA A 6 10.281 1.617 -10.794 1.00 0.00 C ATOM 0 H ALA A 6 10.230 1.067 -8.334 1.00 0.00 H new ATOM 0 HA ALA A 6 12.230 2.206 -10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.358 2.160 -11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.573 0.578 -10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.252 1.655 -10.436 1.00 0.00 H new ATOM 82 N VAL A 7 11.813 4.653 -9.817 1.00 0.00 N ATOM 83 CA VAL A 7 11.665 6.115 -9.597 1.00 0.00 C ATOM 84 C VAL A 7 10.469 6.681 -10.403 1.00 0.00 C ATOM 85 O VAL A 7 9.631 7.413 -9.862 1.00 0.00 O ATOM 86 CB VAL A 7 12.985 6.887 -9.984 1.00 0.00 C ATOM 87 CG1 VAL A 7 12.842 8.423 -9.780 1.00 0.00 C ATOM 88 CG2 VAL A 7 14.201 6.318 -9.203 1.00 0.00 C ATOM 0 H VAL A 7 12.714 4.394 -10.220 1.00 0.00 H new ATOM 0 HA VAL A 7 11.474 6.265 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 7 13.161 6.728 -11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.774 8.915 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.032 8.799 -10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.620 8.632 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.102 6.864 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.029 6.428 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.327 5.262 -9.444 1.00 0.00 H new ATOM 98 N SER A 8 10.403 6.316 -11.695 1.00 0.00 N ATOM 99 CA SER A 8 9.283 6.664 -12.588 1.00 0.00 C ATOM 100 C SER A 8 8.209 5.562 -12.521 1.00 0.00 C ATOM 101 O SER A 8 7.936 4.872 -13.508 1.00 0.00 O ATOM 102 CB SER A 8 9.810 6.873 -14.038 1.00 0.00 C ATOM 103 OG SER A 8 10.778 7.910 -14.082 1.00 0.00 O ATOM 0 H SER A 8 11.131 5.767 -12.153 1.00 0.00 H new ATOM 0 HA SER A 8 8.824 7.599 -12.265 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.248 5.946 -14.407 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.979 7.118 -14.699 1.00 0.00 H new ATOM 0 HG SER A 8 11.096 8.022 -15.002 1.00 0.00 H new ATOM 109 N CYS A 9 7.624 5.389 -11.321 1.00 0.00 N ATOM 110 CA CYS A 9 6.567 4.398 -11.086 1.00 0.00 C ATOM 111 C CYS A 9 5.232 4.901 -11.643 1.00 0.00 C ATOM 112 O CYS A 9 4.357 5.363 -10.899 1.00 0.00 O ATOM 113 CB CYS A 9 6.432 4.039 -9.589 1.00 0.00 C ATOM 114 SG CYS A 9 5.052 2.894 -9.252 1.00 0.00 S ATOM 0 H CYS A 9 7.872 5.931 -10.493 1.00 0.00 H new ATOM 0 HA CYS A 9 6.850 3.486 -11.612 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.363 3.589 -9.244 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.287 4.953 -9.013 1.00 0.00 H new ATOM 119 N LEU A 10 5.106 4.845 -12.978 1.00 0.00 N ATOM 120 CA LEU A 10 3.841 5.095 -13.666 1.00 0.00 C ATOM 121 C LEU A 10 2.939 3.887 -13.394 1.00 0.00 C ATOM 122 O LEU A 10 3.232 2.779 -13.851 1.00 0.00 O ATOM 123 CB LEU A 10 4.073 5.302 -15.191 1.00 0.00 C ATOM 124 CG LEU A 10 5.093 6.412 -15.595 1.00 0.00 C ATOM 125 CD1 LEU A 10 5.234 6.506 -17.135 1.00 0.00 C ATOM 126 CD2 LEU A 10 4.723 7.781 -14.964 1.00 0.00 C ATOM 0 H LEU A 10 5.880 4.625 -13.605 1.00 0.00 H new ATOM 0 HA LEU A 10 3.371 6.008 -13.300 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.411 4.357 -15.616 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.114 5.535 -15.654 1.00 0.00 H new ATOM 0 HG LEU A 10 6.067 6.130 -15.195 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.951 7.287 -17.388 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.585 5.551 -17.527 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.266 6.746 -17.575 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.454 8.531 -15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.732 8.083 -15.304 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.722 7.693 -13.878 1.00 0.00 H new ATOM 138 N GLN A 11 1.921 4.090 -12.559 1.00 0.00 N ATOM 139 CA GLN A 11 0.990 3.037 -12.127 1.00 0.00 C ATOM 140 C GLN A 11 -0.472 3.463 -12.413 1.00 0.00 C ATOM 141 O GLN A 11 -1.067 4.225 -11.644 1.00 0.00 O ATOM 142 CB GLN A 11 1.244 2.683 -10.637 1.00 0.00 C ATOM 143 CG GLN A 11 1.342 3.884 -9.680 1.00 0.00 C ATOM 144 CD GLN A 11 1.406 3.457 -8.226 1.00 0.00 C ATOM 145 OE1 GLN A 11 2.482 3.304 -7.650 1.00 0.00 O ATOM 146 NE2 GLN A 11 0.251 3.169 -7.674 1.00 0.00 N ATOM 0 H GLN A 11 1.713 5.003 -12.155 1.00 0.00 H new ATOM 0 HA GLN A 11 1.165 2.127 -12.701 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.440 2.032 -10.294 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.169 2.110 -10.570 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.229 4.469 -9.924 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.480 4.535 -9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.614 3.314 -8.195 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.218 2.800 -6.724 1.00 0.00 H new ATOM 155 N PRO A 12 -1.035 3.041 -13.592 1.00 0.00 N ATOM 156 CA PRO A 12 -2.472 3.226 -13.912 1.00 0.00 C ATOM 157 C PRO A 12 -3.402 2.448 -12.945 1.00 0.00 C ATOM 158 O PRO A 12 -3.032 1.389 -12.423 1.00 0.00 O ATOM 159 CB PRO A 12 -2.589 2.712 -15.379 1.00 0.00 C ATOM 160 CG PRO A 12 -1.389 1.842 -15.589 1.00 0.00 C ATOM 161 CD PRO A 12 -0.298 2.411 -14.724 1.00 0.00 C ATOM 0 HA PRO A 12 -2.790 4.263 -13.802 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.512 2.152 -15.527 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.603 3.541 -16.086 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.604 0.810 -15.314 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.091 1.837 -16.637 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.383 1.634 -14.375 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.303 3.141 -15.266 1.00 0.00 H new ATOM 169 N GLU A 13 -4.599 3.021 -12.700 1.00 0.00 N ATOM 170 CA GLU A 13 -5.626 2.425 -11.832 1.00 0.00 C ATOM 171 C GLU A 13 -6.237 1.200 -12.535 1.00 0.00 C ATOM 172 O GLU A 13 -7.041 1.338 -13.463 1.00 0.00 O ATOM 173 CB GLU A 13 -6.710 3.480 -11.497 1.00 0.00 C ATOM 174 CG GLU A 13 -6.170 4.741 -10.783 1.00 0.00 C ATOM 175 CD GLU A 13 -7.273 5.756 -10.434 1.00 0.00 C ATOM 176 OE1 GLU A 13 -7.916 5.607 -9.372 1.00 0.00 O ATOM 177 OE2 GLU A 13 -7.510 6.700 -11.217 1.00 0.00 O ATOM 0 H GLU A 13 -4.878 3.915 -13.103 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.176 2.098 -10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.204 3.783 -12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.469 3.017 -10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.657 4.442 -9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.429 5.223 -11.421 1.00 0.00 H new ATOM 184 N GLY A 14 -5.817 0.019 -12.093 1.00 0.00 N ATOM 185 CA GLY A 14 -6.064 -1.229 -12.801 1.00 0.00 C ATOM 186 C GLY A 14 -4.763 -1.713 -13.410 1.00 0.00 C ATOM 187 O GLY A 14 -3.735 -1.763 -12.715 1.00 0.00 O ATOM 0 H GLY A 14 -5.292 -0.098 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.462 -1.978 -12.117 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.812 -1.079 -13.580 1.00 0.00 H new ATOM 191 N ASP A 15 -4.782 -2.028 -14.705 1.00 0.00 N ATOM 192 CA ASP A 15 -3.578 -2.417 -15.452 1.00 0.00 C ATOM 193 C ASP A 15 -3.491 -1.583 -16.742 1.00 0.00 C ATOM 194 O ASP A 15 -2.785 -0.584 -16.785 1.00 0.00 O ATOM 195 CB ASP A 15 -3.572 -3.947 -15.775 1.00 0.00 C ATOM 196 CG ASP A 15 -3.657 -4.849 -14.522 1.00 0.00 C ATOM 197 OD1 ASP A 15 -2.609 -5.125 -13.899 1.00 0.00 O ATOM 198 OD2 ASP A 15 -4.775 -5.285 -14.154 1.00 0.00 O ATOM 0 H ASP A 15 -5.632 -2.022 -15.269 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.703 -2.219 -14.833 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.412 -4.174 -16.432 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.663 -4.189 -16.325 1.00 0.00 H new ATOM 203 N GLU A 16 -4.249 -1.993 -17.782 1.00 0.00 N ATOM 204 CA GLU A 16 -4.147 -1.448 -19.176 1.00 0.00 C ATOM 205 C GLU A 16 -2.677 -1.509 -19.741 1.00 0.00 C ATOM 206 O GLU A 16 -2.366 -0.930 -20.791 1.00 0.00 O ATOM 207 CB GLU A 16 -4.733 0.007 -19.257 1.00 0.00 C ATOM 208 CG GLU A 16 -5.076 0.488 -20.694 1.00 0.00 C ATOM 209 CD GLU A 16 -5.484 1.969 -20.774 1.00 0.00 C ATOM 210 OE1 GLU A 16 -6.679 2.286 -20.609 1.00 0.00 O ATOM 211 OE2 GLU A 16 -4.604 2.831 -20.994 1.00 0.00 O ATOM 0 H GLU A 16 -4.960 -2.719 -17.688 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.751 -2.093 -19.814 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.635 0.056 -18.647 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.014 0.699 -18.819 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.212 0.324 -21.338 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.887 -0.124 -21.088 1.00 0.00 H new ATOM 218 N VAL A 17 -1.795 -2.248 -19.039 1.00 0.00 N ATOM 219 CA VAL A 17 -0.353 -2.367 -19.343 1.00 0.00 C ATOM 220 C VAL A 17 0.089 -3.809 -19.070 1.00 0.00 C ATOM 221 O VAL A 17 -0.519 -4.515 -18.246 1.00 0.00 O ATOM 222 CB VAL A 17 0.562 -1.370 -18.499 1.00 0.00 C ATOM 223 CG1 VAL A 17 0.297 0.106 -18.885 1.00 0.00 C ATOM 224 CG2 VAL A 17 0.392 -1.583 -16.966 1.00 0.00 C ATOM 0 H VAL A 17 -2.072 -2.794 -18.223 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.223 -2.097 -20.391 1.00 0.00 H new ATOM 0 HB VAL A 17 1.597 -1.602 -18.749 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.937 0.758 -18.291 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.515 0.250 -19.943 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.748 0.350 -18.693 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.033 -0.884 -16.428 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.648 -1.410 -16.688 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.672 -2.604 -16.707 1.00 0.00 H new ATOM 234 N ASP A 18 1.140 -4.238 -19.777 1.00 0.00 N ATOM 235 CA ASP A 18 1.771 -5.552 -19.570 1.00 0.00 C ATOM 236 C ASP A 18 2.641 -5.486 -18.299 1.00 0.00 C ATOM 237 O ASP A 18 3.066 -4.404 -17.896 1.00 0.00 O ATOM 238 CB ASP A 18 2.619 -5.929 -20.812 1.00 0.00 C ATOM 239 CG ASP A 18 2.880 -7.441 -20.926 1.00 0.00 C ATOM 240 OD1 ASP A 18 3.771 -7.964 -20.231 1.00 0.00 O ATOM 241 OD2 ASP A 18 2.173 -8.115 -21.710 1.00 0.00 O ATOM 0 H ASP A 18 1.580 -3.684 -20.512 1.00 0.00 H new ATOM 0 HA ASP A 18 1.011 -6.322 -19.440 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.108 -5.585 -21.712 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.573 -5.404 -20.767 1.00 0.00 H new ATOM 246 N TRP A 19 2.882 -6.628 -17.649 1.00 0.00 N ATOM 247 CA TRP A 19 3.709 -6.697 -16.429 1.00 0.00 C ATOM 248 C TRP A 19 4.923 -7.590 -16.683 1.00 0.00 C ATOM 249 O TRP A 19 4.862 -8.534 -17.471 1.00 0.00 O ATOM 250 CB TRP A 19 2.886 -7.216 -15.212 1.00 0.00 C ATOM 251 CG TRP A 19 1.946 -6.210 -14.570 1.00 0.00 C ATOM 252 CD1 TRP A 19 1.297 -5.156 -15.158 1.00 0.00 C ATOM 253 CD2 TRP A 19 1.541 -6.200 -13.197 1.00 0.00 C ATOM 254 NE1 TRP A 19 0.522 -4.504 -14.235 1.00 0.00 N ATOM 255 CE2 TRP A 19 0.656 -5.127 -13.026 1.00 0.00 C ATOM 256 CE3 TRP A 19 1.842 -7.005 -12.100 1.00 0.00 C ATOM 257 CZ2 TRP A 19 0.073 -4.830 -11.799 1.00 0.00 C ATOM 258 CZ3 TRP A 19 1.262 -6.718 -10.883 1.00 0.00 C ATOM 259 CH2 TRP A 19 0.387 -5.638 -10.741 1.00 0.00 C ATOM 0 H TRP A 19 2.513 -7.531 -17.948 1.00 0.00 H new ATOM 0 HA TRP A 19 4.049 -5.691 -16.184 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.301 -8.077 -15.534 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.582 -7.571 -14.452 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.384 -4.879 -16.198 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.060 -3.687 -14.420 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.519 -7.840 -12.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.601 -3.994 -11.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.487 -7.337 -10.027 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.051 -5.437 -9.775 1.00 0.00 H new ATOM 270 N VAL A 20 6.011 -7.286 -15.978 1.00 0.00 N ATOM 271 CA VAL A 20 7.283 -7.983 -16.095 1.00 0.00 C ATOM 272 C VAL A 20 7.916 -8.101 -14.690 1.00 0.00 C ATOM 273 O VAL A 20 8.281 -7.099 -14.060 1.00 0.00 O ATOM 274 CB VAL A 20 8.242 -7.270 -17.137 1.00 0.00 C ATOM 275 CG1 VAL A 20 8.569 -5.792 -16.768 1.00 0.00 C ATOM 276 CG2 VAL A 20 9.515 -8.109 -17.359 1.00 0.00 C ATOM 0 H VAL A 20 6.029 -6.529 -15.294 1.00 0.00 H new ATOM 0 HA VAL A 20 7.118 -8.987 -16.486 1.00 0.00 H new ATOM 0 HB VAL A 20 7.699 -7.213 -18.081 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.229 -5.366 -17.523 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.645 -5.215 -16.726 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.061 -5.760 -15.796 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.162 -7.605 -18.077 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.044 -8.225 -16.413 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.241 -9.091 -17.744 1.00 0.00 H new ATOM 286 N GLN A 21 7.966 -9.335 -14.177 1.00 0.00 N ATOM 287 CA GLN A 21 8.536 -9.636 -12.855 1.00 0.00 C ATOM 288 C GLN A 21 10.041 -9.910 -12.993 1.00 0.00 C ATOM 289 O GLN A 21 10.486 -10.509 -13.980 1.00 0.00 O ATOM 290 CB GLN A 21 7.830 -10.867 -12.220 1.00 0.00 C ATOM 291 CG GLN A 21 8.342 -11.250 -10.807 1.00 0.00 C ATOM 292 CD GLN A 21 7.784 -12.580 -10.293 1.00 0.00 C ATOM 293 OE1 GLN A 21 7.504 -13.492 -11.073 1.00 0.00 O ATOM 294 NE2 GLN A 21 7.643 -12.711 -8.984 1.00 0.00 N ATOM 0 H GLN A 21 7.612 -10.157 -14.667 1.00 0.00 H new ATOM 0 HA GLN A 21 8.381 -8.776 -12.203 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.760 -10.665 -12.162 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.957 -11.723 -12.882 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.430 -11.305 -10.827 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.076 -10.459 -10.106 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.884 -11.937 -8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.294 -13.586 -8.594 1.00 0.00 H new ATOM 303 N CYS A 22 10.810 -9.467 -11.991 1.00 0.00 N ATOM 304 CA CYS A 22 12.234 -9.787 -11.874 1.00 0.00 C ATOM 305 C CYS A 22 12.378 -11.134 -11.160 1.00 0.00 C ATOM 306 O CYS A 22 12.191 -11.213 -9.940 1.00 0.00 O ATOM 307 CB CYS A 22 12.983 -8.690 -11.095 1.00 0.00 C ATOM 308 SG CYS A 22 14.790 -8.930 -11.017 1.00 0.00 S ATOM 0 H CYS A 22 10.459 -8.875 -11.238 1.00 0.00 H new ATOM 0 HA CYS A 22 12.672 -9.844 -12.871 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.775 -7.725 -11.558 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.589 -8.648 -10.080 1.00 0.00 H new ATOM 313 N ASP A 23 12.630 -12.197 -11.942 1.00 0.00 N ATOM 314 CA ASP A 23 13.002 -13.524 -11.403 1.00 0.00 C ATOM 315 C ASP A 23 14.362 -13.445 -10.666 1.00 0.00 C ATOM 316 O ASP A 23 14.637 -14.246 -9.764 1.00 0.00 O ATOM 317 CB ASP A 23 13.042 -14.577 -12.551 1.00 0.00 C ATOM 318 CG ASP A 23 13.364 -16.012 -12.068 1.00 0.00 C ATOM 319 OD1 ASP A 23 12.541 -16.594 -11.324 1.00 0.00 O ATOM 320 OD2 ASP A 23 14.436 -16.561 -12.414 1.00 0.00 O ATOM 0 H ASP A 23 12.583 -12.166 -12.960 1.00 0.00 H new ATOM 0 HA ASP A 23 12.248 -13.838 -10.681 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.079 -14.582 -13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.789 -14.274 -13.284 1.00 0.00 H new ATOM 325 N GLY A 24 15.190 -12.458 -11.068 1.00 0.00 N ATOM 326 CA GLY A 24 16.426 -12.115 -10.358 1.00 0.00 C ATOM 327 C GLY A 24 16.203 -11.702 -8.902 1.00 0.00 C ATOM 328 O GLY A 24 15.089 -11.309 -8.534 1.00 0.00 O ATOM 0 H GLY A 24 15.016 -11.882 -11.892 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.100 -12.971 -10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.924 -11.301 -10.885 1.00 0.00 H new ATOM 332 N SER A 25 17.296 -11.687 -8.121 1.00 0.00 N ATOM 333 CA SER A 25 17.274 -11.745 -6.656 1.00 0.00 C ATOM 334 C SER A 25 16.838 -10.395 -6.054 1.00 0.00 C ATOM 335 O SER A 25 17.669 -9.552 -5.682 1.00 0.00 O ATOM 336 CB SER A 25 18.662 -12.181 -6.124 1.00 0.00 C ATOM 337 OG SER A 25 18.632 -12.426 -4.729 1.00 0.00 O ATOM 0 H SER A 25 18.240 -11.633 -8.503 1.00 0.00 H new ATOM 0 HA SER A 25 16.539 -12.487 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.986 -13.082 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.396 -11.405 -6.342 1.00 0.00 H new ATOM 0 HG SER A 25 19.523 -12.700 -4.426 1.00 0.00 H new ATOM 343 N CYS A 26 15.511 -10.196 -6.067 1.00 0.00 N ATOM 344 CA CYS A 26 14.829 -9.034 -5.455 1.00 0.00 C ATOM 345 C CYS A 26 13.300 -9.203 -5.585 1.00 0.00 C ATOM 346 O CYS A 26 12.538 -8.620 -4.803 1.00 0.00 O ATOM 347 CB CYS A 26 15.284 -7.688 -6.083 1.00 0.00 C ATOM 348 SG CYS A 26 14.509 -7.281 -7.674 1.00 0.00 S ATOM 0 H CYS A 26 14.865 -10.849 -6.511 1.00 0.00 H new ATOM 0 HA CYS A 26 15.105 -9.001 -4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 26 15.072 -6.885 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 26 16.365 -7.715 -6.219 1.00 0.00 H new ATOM 353 N ASN A 27 12.870 -9.971 -6.633 1.00 0.00 N ATOM 354 CA ASN A 27 11.465 -10.456 -6.817 1.00 0.00 C ATOM 355 C ASN A 27 10.473 -9.316 -7.177 1.00 0.00 C ATOM 356 O ASN A 27 9.256 -9.525 -7.235 1.00 0.00 O ATOM 357 CB ASN A 27 10.992 -11.260 -5.558 1.00 0.00 C ATOM 358 CG ASN A 27 9.714 -12.083 -5.777 1.00 0.00 C ATOM 359 OD1 ASN A 27 9.459 -12.572 -6.872 1.00 0.00 O ATOM 360 ND2 ASN A 27 8.907 -12.228 -4.743 1.00 0.00 N ATOM 0 H ASN A 27 13.495 -10.273 -7.380 1.00 0.00 H new ATOM 0 HA ASN A 27 11.468 -11.129 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.793 -11.931 -5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.825 -10.562 -4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.042 -12.760 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.148 -11.808 -3.845 1.00 0.00 H new ATOM 367 N GLN A 28 11.012 -8.119 -7.463 1.00 0.00 N ATOM 368 CA GLN A 28 10.211 -6.908 -7.703 1.00 0.00 C ATOM 369 C GLN A 28 9.449 -6.988 -9.040 1.00 0.00 C ATOM 370 O GLN A 28 10.057 -7.196 -10.100 1.00 0.00 O ATOM 371 CB GLN A 28 11.133 -5.662 -7.666 1.00 0.00 C ATOM 372 CG GLN A 28 11.830 -5.422 -6.309 1.00 0.00 C ATOM 373 CD GLN A 28 10.858 -5.122 -5.166 1.00 0.00 C ATOM 374 OE1 GLN A 28 9.787 -4.549 -5.375 1.00 0.00 O ATOM 375 NE2 GLN A 28 11.217 -5.504 -3.955 1.00 0.00 N ATOM 0 H GLN A 28 12.018 -7.964 -7.534 1.00 0.00 H new ATOM 0 HA GLN A 28 9.464 -6.825 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.895 -5.766 -8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.543 -4.781 -7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.419 -6.302 -6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.527 -4.590 -6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.110 -5.976 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.602 -5.327 -3.161 1.00 0.00 H new ATOM 384 N TRP A 29 8.112 -6.858 -8.957 1.00 0.00 N ATOM 385 CA TRP A 29 7.225 -6.783 -10.129 1.00 0.00 C ATOM 386 C TRP A 29 7.271 -5.364 -10.710 1.00 0.00 C ATOM 387 O TRP A 29 7.338 -4.373 -9.960 1.00 0.00 O ATOM 388 CB TRP A 29 5.765 -7.132 -9.744 1.00 0.00 C ATOM 389 CG TRP A 29 5.544 -8.562 -9.307 1.00 0.00 C ATOM 390 CD1 TRP A 29 5.959 -9.148 -8.144 1.00 0.00 C ATOM 391 CD2 TRP A 29 4.829 -9.574 -10.027 1.00 0.00 C ATOM 392 NE1 TRP A 29 5.537 -10.449 -8.096 1.00 0.00 N ATOM 393 CE2 TRP A 29 4.847 -10.736 -9.242 1.00 0.00 C ATOM 394 CE3 TRP A 29 4.178 -9.603 -11.264 1.00 0.00 C ATOM 395 CZ2 TRP A 29 4.237 -11.918 -9.648 1.00 0.00 C ATOM 396 CZ3 TRP A 29 3.572 -10.776 -11.670 1.00 0.00 C ATOM 397 CH2 TRP A 29 3.606 -11.921 -10.861 1.00 0.00 C ATOM 0 H TRP A 29 7.615 -6.802 -8.068 1.00 0.00 H new ATOM 0 HA TRP A 29 7.569 -7.505 -10.870 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.449 -6.469 -8.939 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.121 -6.925 -10.598 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.536 -8.656 -7.375 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.709 -11.100 -7.330 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.149 -8.724 -11.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.261 -12.802 -9.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.065 -10.812 -12.623 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.123 -12.824 -11.203 1.00 0.00 H new ATOM 408 N PHE A 30 7.235 -5.266 -12.040 1.00 0.00 N ATOM 409 CA PHE A 30 7.278 -3.981 -12.744 1.00 0.00 C ATOM 410 C PHE A 30 6.187 -3.913 -13.816 1.00 0.00 C ATOM 411 O PHE A 30 6.148 -4.754 -14.697 1.00 0.00 O ATOM 412 CB PHE A 30 8.685 -3.738 -13.360 1.00 0.00 C ATOM 413 CG PHE A 30 9.807 -3.626 -12.325 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.863 -2.541 -11.442 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.805 -4.595 -12.238 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.882 -2.434 -10.511 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.823 -4.486 -11.305 1.00 0.00 C ATOM 418 CZ PHE A 30 11.860 -3.408 -10.444 1.00 0.00 C ATOM 0 H PHE A 30 7.175 -6.074 -12.660 1.00 0.00 H new ATOM 0 HA PHE A 30 7.087 -3.188 -12.021 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.916 -4.554 -14.045 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.658 -2.823 -13.952 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.101 -1.777 -11.488 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.784 -5.442 -12.907 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.913 -1.590 -9.838 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.589 -5.246 -11.251 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.654 -3.326 -9.717 1.00 0.00 H new ATOM 428 N HIS A 31 5.270 -2.916 -13.709 1.00 0.00 N ATOM 429 CA HIS A 31 4.364 -2.555 -14.836 1.00 0.00 C ATOM 430 C HIS A 31 5.260 -2.074 -16.002 1.00 0.00 C ATOM 431 O HIS A 31 6.339 -1.516 -15.756 1.00 0.00 O ATOM 432 CB HIS A 31 3.282 -1.454 -14.455 1.00 0.00 C ATOM 433 CG HIS A 31 3.247 -1.026 -13.000 1.00 0.00 C ATOM 434 ND1 HIS A 31 2.912 -1.843 -11.951 1.00 0.00 N ATOM 435 CD2 HIS A 31 3.684 0.113 -12.443 1.00 0.00 C ATOM 436 CE1 HIS A 31 3.205 -1.177 -10.821 1.00 0.00 C ATOM 437 NE2 HIS A 31 3.714 0.026 -11.065 1.00 0.00 N ATOM 0 H HIS A 31 5.138 -2.354 -12.868 1.00 0.00 H new ATOM 0 HA HIS A 31 3.780 -3.432 -15.115 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.461 -0.571 -15.068 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.297 -1.834 -14.724 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.515 -2.780 -12.016 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.976 0.989 -13.003 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.045 -1.574 -9.829 1.00 0.00 H new ATOM 445 N GLN A 32 4.824 -2.299 -17.248 1.00 0.00 N ATOM 446 CA GLN A 32 5.590 -1.976 -18.456 1.00 0.00 C ATOM 447 C GLN A 32 6.034 -0.497 -18.469 1.00 0.00 C ATOM 448 O GLN A 32 7.164 -0.180 -18.814 1.00 0.00 O ATOM 449 CB GLN A 32 4.706 -2.293 -19.686 1.00 0.00 C ATOM 450 CG GLN A 32 5.486 -2.705 -20.927 1.00 0.00 C ATOM 451 CD GLN A 32 4.588 -3.106 -22.093 1.00 0.00 C ATOM 452 OE1 GLN A 32 3.504 -2.554 -22.291 1.00 0.00 O ATOM 453 NE2 GLN A 32 4.992 -4.131 -22.813 1.00 0.00 N ATOM 0 H GLN A 32 3.915 -2.717 -17.447 1.00 0.00 H new ATOM 0 HA GLN A 32 6.499 -2.577 -18.479 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.013 -3.092 -19.425 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.105 -1.415 -19.923 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.127 -1.879 -21.237 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.141 -3.540 -20.677 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.896 -4.564 -22.622 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.402 -4.492 -23.562 1.00 0.00 H new ATOM 462 N VAL A 33 5.115 0.376 -18.041 1.00 0.00 N ATOM 463 CA VAL A 33 5.329 1.833 -17.989 1.00 0.00 C ATOM 464 C VAL A 33 6.131 2.277 -16.732 1.00 0.00 C ATOM 465 O VAL A 33 6.691 3.382 -16.709 1.00 0.00 O ATOM 466 CB VAL A 33 3.946 2.580 -18.065 1.00 0.00 C ATOM 467 CG1 VAL A 33 3.258 2.319 -19.427 1.00 0.00 C ATOM 468 CG2 VAL A 33 3.019 2.166 -16.896 1.00 0.00 C ATOM 0 H VAL A 33 4.191 0.091 -17.717 1.00 0.00 H new ATOM 0 HA VAL A 33 5.935 2.106 -18.853 1.00 0.00 H new ATOM 0 HB VAL A 33 4.139 3.649 -17.975 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.303 2.844 -19.459 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.898 2.679 -20.233 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.088 1.249 -19.550 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.072 2.699 -16.977 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.836 1.092 -16.939 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.496 2.415 -15.948 1.00 0.00 H new ATOM 478 N CYS A 34 6.172 1.408 -15.691 1.00 0.00 N ATOM 479 CA CYS A 34 6.980 1.648 -14.447 1.00 0.00 C ATOM 480 C CYS A 34 8.490 1.741 -14.757 1.00 0.00 C ATOM 481 O CYS A 34 9.229 2.492 -14.119 1.00 0.00 O ATOM 482 CB CYS A 34 6.758 0.502 -13.425 1.00 0.00 C ATOM 483 SG CYS A 34 7.182 0.878 -11.679 1.00 0.00 S ATOM 0 H CYS A 34 5.656 0.528 -15.679 1.00 0.00 H new ATOM 0 HA CYS A 34 6.644 2.597 -14.028 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.710 0.205 -13.466 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.347 -0.359 -13.743 1.00 0.00 H new ATOM 488 N VAL A 35 8.926 0.923 -15.725 1.00 0.00 N ATOM 489 CA VAL A 35 10.348 0.772 -16.111 1.00 0.00 C ATOM 490 C VAL A 35 10.592 1.155 -17.578 1.00 0.00 C ATOM 491 O VAL A 35 11.747 1.305 -17.996 1.00 0.00 O ATOM 492 CB VAL A 35 10.836 -0.698 -15.843 1.00 0.00 C ATOM 493 CG1 VAL A 35 11.089 -0.912 -14.334 1.00 0.00 C ATOM 494 CG2 VAL A 35 9.819 -1.740 -16.406 1.00 0.00 C ATOM 0 H VAL A 35 8.297 0.337 -16.273 1.00 0.00 H new ATOM 0 HA VAL A 35 10.926 1.460 -15.494 1.00 0.00 H new ATOM 0 HB VAL A 35 11.778 -0.851 -16.369 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.426 -1.934 -14.163 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.854 -0.215 -13.991 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.165 -0.738 -13.782 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.183 -2.748 -16.206 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.851 -1.601 -15.924 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.712 -1.599 -17.482 1.00 0.00 H new ATOM 504 N GLY A 36 9.499 1.278 -18.358 1.00 0.00 N ATOM 505 CA GLY A 36 9.570 1.611 -19.786 1.00 0.00 C ATOM 506 C GLY A 36 10.102 0.477 -20.668 1.00 0.00 C ATOM 507 O GLY A 36 10.362 0.705 -21.858 1.00 0.00 O ATOM 0 H GLY A 36 8.548 1.149 -18.013 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.575 1.890 -20.133 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.209 2.485 -19.913 1.00 0.00 H new ATOM 511 N VAL A 37 10.259 -0.745 -20.097 1.00 0.00 N ATOM 512 CA VAL A 37 10.819 -1.899 -20.834 1.00 0.00 C ATOM 513 C VAL A 37 9.861 -2.321 -21.963 1.00 0.00 C ATOM 514 O VAL A 37 8.783 -2.873 -21.712 1.00 0.00 O ATOM 515 CB VAL A 37 11.152 -3.130 -19.904 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.629 -4.360 -20.727 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.211 -2.750 -18.844 1.00 0.00 C ATOM 0 H VAL A 37 10.005 -0.952 -19.131 1.00 0.00 H new ATOM 0 HA VAL A 37 11.767 -1.570 -21.259 1.00 0.00 H new ATOM 0 HB VAL A 37 10.230 -3.407 -19.393 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.849 -5.187 -20.052 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.845 -4.658 -21.423 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.528 -4.098 -21.284 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.423 -3.615 -18.216 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.126 -2.430 -19.342 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.831 -1.937 -18.226 1.00 0.00 H new ATOM 527 N SER A 38 10.273 -2.003 -23.195 1.00 0.00 N ATOM 528 CA SER A 38 9.558 -2.354 -24.421 1.00 0.00 C ATOM 529 C SER A 38 9.528 -3.892 -24.611 1.00 0.00 C ATOM 530 O SER A 38 10.500 -4.565 -24.233 1.00 0.00 O ATOM 531 CB SER A 38 10.268 -1.666 -25.603 1.00 0.00 C ATOM 532 OG SER A 38 10.442 -0.276 -25.352 1.00 0.00 O ATOM 0 H SER A 38 11.133 -1.482 -23.368 1.00 0.00 H new ATOM 0 HA SER A 38 8.524 -2.014 -24.364 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.238 -2.133 -25.771 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.685 -1.805 -26.513 1.00 0.00 H new ATOM 0 HG SER A 38 10.896 0.140 -26.114 1.00 0.00 H new ATOM 538 N PRO A 39 8.408 -4.464 -25.188 1.00 0.00 N ATOM 539 CA PRO A 39 8.258 -5.929 -25.442 1.00 0.00 C ATOM 540 C PRO A 39 9.480 -6.590 -26.127 1.00 0.00 C ATOM 541 O PRO A 39 9.749 -7.776 -25.910 1.00 0.00 O ATOM 542 CB PRO A 39 7.014 -5.997 -26.368 1.00 0.00 C ATOM 543 CG PRO A 39 6.187 -4.819 -25.966 1.00 0.00 C ATOM 544 CD PRO A 39 7.176 -3.726 -25.610 1.00 0.00 C ATOM 0 HA PRO A 39 8.163 -6.479 -24.505 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.298 -5.943 -27.419 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.468 -6.931 -26.232 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.532 -4.505 -26.779 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.548 -5.061 -25.117 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.374 -3.076 -26.462 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.797 -3.093 -24.808 1.00 0.00 H new ATOM 552 N GLU A 40 10.212 -5.803 -26.941 1.00 0.00 N ATOM 553 CA GLU A 40 11.427 -6.269 -27.629 1.00 0.00 C ATOM 554 C GLU A 40 12.515 -6.651 -26.603 1.00 0.00 C ATOM 555 O GLU A 40 12.995 -7.781 -26.601 1.00 0.00 O ATOM 556 CB GLU A 40 11.954 -5.167 -28.586 1.00 0.00 C ATOM 557 CG GLU A 40 13.141 -5.597 -29.470 1.00 0.00 C ATOM 558 CD GLU A 40 13.675 -4.464 -30.359 1.00 0.00 C ATOM 559 OE1 GLU A 40 12.944 -4.011 -31.268 1.00 0.00 O ATOM 560 OE2 GLU A 40 14.812 -3.995 -30.135 1.00 0.00 O ATOM 0 H GLU A 40 9.976 -4.830 -27.138 1.00 0.00 H new ATOM 0 HA GLU A 40 11.178 -7.154 -28.214 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.137 -4.843 -29.231 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.254 -4.303 -27.993 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.947 -5.961 -28.833 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.833 -6.431 -30.101 1.00 0.00 H new ATOM 567 N MET A 41 12.840 -5.710 -25.687 1.00 0.00 N ATOM 568 CA MET A 41 13.884 -5.913 -24.655 1.00 0.00 C ATOM 569 C MET A 41 13.439 -6.982 -23.639 1.00 0.00 C ATOM 570 O MET A 41 14.249 -7.792 -23.187 1.00 0.00 O ATOM 571 CB MET A 41 14.232 -4.582 -23.925 1.00 0.00 C ATOM 572 CG MET A 41 14.835 -3.493 -24.831 1.00 0.00 C ATOM 573 SD MET A 41 15.371 -2.022 -23.922 1.00 0.00 S ATOM 574 CE MET A 41 13.836 -1.462 -23.184 1.00 0.00 C ATOM 0 H MET A 41 12.390 -4.796 -25.642 1.00 0.00 H new ATOM 0 HA MET A 41 14.785 -6.261 -25.160 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.327 -4.190 -23.461 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.935 -4.797 -23.120 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.686 -3.909 -25.370 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.096 -3.201 -25.578 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.003 -0.515 -22.670 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.087 -1.324 -23.963 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.484 -2.205 -22.469 1.00 0.00 H new ATOM 584 N ALA A 42 12.127 -6.983 -23.325 1.00 0.00 N ATOM 585 CA ALA A 42 11.503 -7.984 -22.436 1.00 0.00 C ATOM 586 C ALA A 42 11.630 -9.408 -23.026 1.00 0.00 C ATOM 587 O ALA A 42 11.794 -10.384 -22.288 1.00 0.00 O ATOM 588 CB ALA A 42 10.028 -7.609 -22.176 1.00 0.00 C ATOM 0 H ALA A 42 11.470 -6.289 -23.681 1.00 0.00 H new ATOM 0 HA ALA A 42 12.031 -7.984 -21.482 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.574 -8.352 -21.520 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.980 -6.628 -21.703 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.487 -7.582 -23.122 1.00 0.00 H new ATOM 594 N GLU A 43 11.575 -9.499 -24.370 1.00 0.00 N ATOM 595 CA GLU A 43 11.742 -10.770 -25.104 1.00 0.00 C ATOM 596 C GLU A 43 13.219 -11.212 -25.076 1.00 0.00 C ATOM 597 O GLU A 43 13.526 -12.397 -24.910 1.00 0.00 O ATOM 598 CB GLU A 43 11.262 -10.611 -26.570 1.00 0.00 C ATOM 599 CG GLU A 43 11.289 -11.909 -27.395 1.00 0.00 C ATOM 600 CD GLU A 43 10.832 -11.717 -28.849 1.00 0.00 C ATOM 601 OE1 GLU A 43 9.619 -11.844 -29.125 1.00 0.00 O ATOM 602 OE2 GLU A 43 11.684 -11.462 -29.728 1.00 0.00 O ATOM 0 H GLU A 43 11.414 -8.695 -24.977 1.00 0.00 H new ATOM 0 HA GLU A 43 11.137 -11.535 -24.617 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.245 -10.220 -26.565 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.887 -9.868 -27.065 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.301 -12.313 -27.390 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.649 -12.649 -26.915 1.00 0.00 H new ATOM 609 N LYS A 44 14.130 -10.228 -25.229 1.00 0.00 N ATOM 610 CA LYS A 44 15.589 -10.473 -25.199 1.00 0.00 C ATOM 611 C LYS A 44 16.092 -10.662 -23.746 1.00 0.00 C ATOM 612 O LYS A 44 17.284 -10.912 -23.529 1.00 0.00 O ATOM 613 CB LYS A 44 16.374 -9.321 -25.890 1.00 0.00 C ATOM 614 CG LYS A 44 15.862 -8.898 -27.298 1.00 0.00 C ATOM 615 CD LYS A 44 15.662 -10.065 -28.312 1.00 0.00 C ATOM 616 CE LYS A 44 16.965 -10.649 -28.904 1.00 0.00 C ATOM 617 NZ LYS A 44 17.796 -11.351 -27.901 1.00 0.00 N ATOM 0 H LYS A 44 13.879 -9.250 -25.375 1.00 0.00 H new ATOM 0 HA LYS A 44 15.773 -11.393 -25.754 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.348 -8.448 -25.238 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.418 -9.621 -25.980 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.913 -8.375 -27.179 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.568 -8.185 -27.724 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.115 -10.867 -27.816 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.036 -9.711 -29.131 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.713 -11.342 -29.707 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.548 -9.843 -29.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.332 -12.112 -28.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.458 -10.677 -27.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.183 -11.758 -27.166 1.00 0.00 H new ATOM 631 N GLU A 45 15.163 -10.499 -22.769 1.00 0.00 N ATOM 632 CA GLU A 45 15.398 -10.737 -21.322 1.00 0.00 C ATOM 633 C GLU A 45 16.298 -9.648 -20.711 1.00 0.00 C ATOM 634 O GLU A 45 16.910 -9.832 -19.658 1.00 0.00 O ATOM 635 CB GLU A 45 15.959 -12.162 -21.065 1.00 0.00 C ATOM 636 CG GLU A 45 15.051 -13.294 -21.593 1.00 0.00 C ATOM 637 CD GLU A 45 15.639 -14.696 -21.360 1.00 0.00 C ATOM 638 OE1 GLU A 45 16.453 -15.146 -22.182 1.00 0.00 O ATOM 639 OE2 GLU A 45 15.303 -15.346 -20.340 1.00 0.00 O ATOM 0 H GLU A 45 14.211 -10.192 -22.970 1.00 0.00 H new ATOM 0 HA GLU A 45 14.434 -10.676 -20.818 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.939 -12.246 -21.534 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.106 -12.297 -19.993 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.078 -13.229 -21.106 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.883 -13.149 -22.660 1.00 0.00 H new ATOM 646 N ASP A 46 16.345 -8.506 -21.390 1.00 0.00 N ATOM 647 CA ASP A 46 17.002 -7.297 -20.895 1.00 0.00 C ATOM 648 C ASP A 46 15.974 -6.471 -20.099 1.00 0.00 C ATOM 649 O ASP A 46 15.354 -5.537 -20.623 1.00 0.00 O ATOM 650 CB ASP A 46 17.601 -6.495 -22.082 1.00 0.00 C ATOM 651 CG ASP A 46 18.467 -5.311 -21.628 1.00 0.00 C ATOM 652 OD1 ASP A 46 19.595 -5.548 -21.119 1.00 0.00 O ATOM 653 OD2 ASP A 46 18.038 -4.142 -21.764 1.00 0.00 O ATOM 0 H ASP A 46 15.923 -8.391 -22.311 1.00 0.00 H new ATOM 0 HA ASP A 46 17.829 -7.553 -20.232 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.203 -7.163 -22.698 1.00 0.00 H new ATOM 0 HB3 ASP A 46 16.790 -6.126 -22.710 1.00 0.00 H new ATOM 658 N TYR A 47 15.723 -6.917 -18.854 1.00 0.00 N ATOM 659 CA TYR A 47 14.839 -6.218 -17.895 1.00 0.00 C ATOM 660 C TYR A 47 15.282 -6.454 -16.441 1.00 0.00 C ATOM 661 O TYR A 47 14.640 -5.963 -15.509 1.00 0.00 O ATOM 662 CB TYR A 47 13.353 -6.641 -18.097 1.00 0.00 C ATOM 663 CG TYR A 47 13.064 -8.152 -17.964 1.00 0.00 C ATOM 664 CD1 TYR A 47 12.912 -8.766 -16.711 1.00 0.00 C ATOM 665 CD2 TYR A 47 12.916 -8.963 -19.094 1.00 0.00 C ATOM 666 CE1 TYR A 47 12.627 -10.120 -16.598 1.00 0.00 C ATOM 667 CE2 TYR A 47 12.634 -10.316 -18.981 1.00 0.00 C ATOM 668 CZ TYR A 47 12.492 -10.889 -17.736 1.00 0.00 C ATOM 669 OH TYR A 47 12.208 -12.237 -17.626 1.00 0.00 O ATOM 0 H TYR A 47 16.128 -7.776 -18.481 1.00 0.00 H new ATOM 0 HA TYR A 47 14.920 -5.150 -18.095 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.740 -6.107 -17.371 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.032 -6.314 -19.086 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.019 -8.172 -15.815 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.024 -8.526 -20.076 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.511 -10.570 -15.623 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.526 -10.921 -19.869 1.00 0.00 H new ATOM 0 HH TYR A 47 12.144 -12.632 -18.521 1.00 0.00 H new ATOM 679 N ILE A 48 16.374 -7.209 -16.276 1.00 0.00 N ATOM 680 CA ILE A 48 16.915 -7.570 -14.955 1.00 0.00 C ATOM 681 C ILE A 48 17.733 -6.381 -14.405 1.00 0.00 C ATOM 682 O ILE A 48 18.503 -5.765 -15.151 1.00 0.00 O ATOM 683 CB ILE A 48 17.800 -8.893 -15.009 1.00 0.00 C ATOM 684 CG1 ILE A 48 16.918 -10.180 -15.230 1.00 0.00 C ATOM 685 CG2 ILE A 48 18.673 -9.060 -13.737 1.00 0.00 C ATOM 686 CD1 ILE A 48 16.316 -10.345 -16.614 1.00 0.00 C ATOM 0 H ILE A 48 16.911 -7.589 -17.055 1.00 0.00 H new ATOM 0 HA ILE A 48 16.081 -7.784 -14.287 1.00 0.00 H new ATOM 0 HB ILE A 48 18.464 -8.781 -15.866 1.00 0.00 H new ATOM 0 HG12 ILE A 48 17.529 -11.056 -15.015 1.00 0.00 H new ATOM 0 HG13 ILE A 48 16.107 -10.170 -14.502 1.00 0.00 H new ATOM 0 HG21 ILE A 48 19.260 -9.975 -13.816 1.00 0.00 H new ATOM 0 HG22 ILE A 48 19.343 -8.206 -13.641 1.00 0.00 H new ATOM 0 HG23 ILE A 48 18.030 -9.117 -12.859 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.731 -11.264 -16.649 1.00 0.00 H new ATOM 0 HD12 ILE A 48 15.670 -9.495 -16.834 1.00 0.00 H new ATOM 0 HD13 ILE A 48 17.114 -10.395 -17.354 1.00 0.00 H new ATOM 698 N CYS A 49 17.527 -6.060 -13.108 1.00 0.00 N ATOM 699 CA CYS A 49 18.228 -4.956 -12.417 1.00 0.00 C ATOM 700 C CYS A 49 19.757 -5.136 -12.491 1.00 0.00 C ATOM 701 O CYS A 49 20.244 -6.270 -12.431 1.00 0.00 O ATOM 702 CB CYS A 49 17.806 -4.886 -10.928 1.00 0.00 C ATOM 703 SG CYS A 49 16.099 -5.370 -10.578 1.00 0.00 S ATOM 0 H CYS A 49 16.869 -6.560 -12.511 1.00 0.00 H new ATOM 0 HA CYS A 49 17.950 -4.031 -12.921 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.472 -5.526 -10.349 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.956 -3.866 -10.574 1.00 0.00 H new ATOM 708 N VAL A 50 20.491 -4.014 -12.579 1.00 0.00 N ATOM 709 CA VAL A 50 21.968 -4.004 -12.648 1.00 0.00 C ATOM 710 C VAL A 50 22.621 -4.657 -11.404 1.00 0.00 C ATOM 711 O VAL A 50 23.687 -5.267 -11.513 1.00 0.00 O ATOM 712 CB VAL A 50 22.523 -2.541 -12.859 1.00 0.00 C ATOM 713 CG1 VAL A 50 22.084 -1.979 -14.234 1.00 0.00 C ATOM 714 CG2 VAL A 50 22.096 -1.591 -11.703 1.00 0.00 C ATOM 0 H VAL A 50 20.077 -3.082 -12.605 1.00 0.00 H new ATOM 0 HA VAL A 50 22.241 -4.607 -13.514 1.00 0.00 H new ATOM 0 HB VAL A 50 23.611 -2.597 -12.846 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.478 -0.970 -14.357 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.469 -2.619 -15.028 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.996 -1.952 -14.285 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.497 -0.594 -11.884 1.00 0.00 H new ATOM 0 HG22 VAL A 50 21.008 -1.541 -11.656 1.00 0.00 H new ATOM 0 HG23 VAL A 50 22.483 -1.971 -10.758 1.00 0.00 H new ATOM 724 N ARG A 51 21.960 -4.522 -10.233 1.00 0.00 N ATOM 725 CA ARG A 51 22.409 -5.157 -8.971 1.00 0.00 C ATOM 726 C ARG A 51 22.223 -6.688 -9.041 1.00 0.00 C ATOM 727 O ARG A 51 23.120 -7.458 -8.669 1.00 0.00 O ATOM 728 CB ARG A 51 21.638 -4.580 -7.750 1.00 0.00 C ATOM 729 CG ARG A 51 21.823 -3.063 -7.525 1.00 0.00 C ATOM 730 CD ARG A 51 21.046 -2.554 -6.294 1.00 0.00 C ATOM 731 NE ARG A 51 21.105 -1.087 -6.156 1.00 0.00 N ATOM 732 CZ ARG A 51 20.746 -0.403 -5.062 1.00 0.00 C ATOM 733 NH1 ARG A 51 20.380 -1.033 -3.948 1.00 0.00 N ATOM 734 NH2 ARG A 51 20.770 0.921 -5.090 1.00 0.00 N ATOM 0 H ARG A 51 21.106 -3.974 -10.135 1.00 0.00 H new ATOM 0 HA ARG A 51 23.468 -4.935 -8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 51 20.576 -4.787 -7.878 1.00 0.00 H new ATOM 0 HB3 ARG A 51 21.960 -5.108 -6.852 1.00 0.00 H new ATOM 0 HG2 ARG A 51 22.883 -2.843 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 51 21.489 -2.523 -8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 51 20.005 -2.867 -6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 51 21.453 -3.017 -5.395 1.00 0.00 H new ATOM 0 HE ARG A 51 21.445 -0.552 -6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 51 20.370 -2.053 -3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 51 20.110 -0.496 -3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 51 21.060 1.408 -5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 51 20.499 1.454 -4.263 1.00 0.00 H new ATOM 748 N CYS A 52 21.045 -7.107 -9.546 1.00 0.00 N ATOM 749 CA CYS A 52 20.706 -8.531 -9.753 1.00 0.00 C ATOM 750 C CYS A 52 21.666 -9.183 -10.781 1.00 0.00 C ATOM 751 O CYS A 52 22.023 -10.361 -10.648 1.00 0.00 O ATOM 752 CB CYS A 52 19.221 -8.682 -10.202 1.00 0.00 C ATOM 753 SG CYS A 52 17.988 -8.340 -8.905 1.00 0.00 S ATOM 0 H CYS A 52 20.300 -6.467 -9.822 1.00 0.00 H new ATOM 0 HA CYS A 52 20.828 -9.053 -8.804 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.040 -8.010 -11.041 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.069 -9.697 -10.569 1.00 0.00 H new ATOM 758 N THR A 53 22.097 -8.388 -11.780 1.00 0.00 N ATOM 759 CA THR A 53 23.014 -8.852 -12.834 1.00 0.00 C ATOM 760 C THR A 53 24.450 -9.009 -12.284 1.00 0.00 C ATOM 761 O THR A 53 25.048 -10.057 -12.460 1.00 0.00 O ATOM 762 CB THR A 53 23.002 -7.886 -14.068 1.00 0.00 C ATOM 763 OG1 THR A 53 21.652 -7.751 -14.556 1.00 0.00 O ATOM 764 CG2 THR A 53 23.912 -8.374 -15.220 1.00 0.00 C ATOM 0 H THR A 53 21.820 -7.411 -11.877 1.00 0.00 H new ATOM 0 HA THR A 53 22.663 -9.828 -13.168 1.00 0.00 H new ATOM 0 HB THR A 53 23.392 -6.926 -13.729 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.151 -7.146 -13.970 1.00 0.00 H new ATOM 0 HG21 THR A 53 23.863 -7.666 -16.047 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.940 -8.448 -14.865 1.00 0.00 H new ATOM 0 HG23 THR A 53 23.575 -9.353 -15.561 1.00 0.00 H new ATOM 772 N VAL A 54 24.976 -7.983 -11.578 1.00 0.00 N ATOM 773 CA VAL A 54 26.379 -7.981 -11.088 1.00 0.00 C ATOM 774 C VAL A 54 26.615 -9.053 -9.995 1.00 0.00 C ATOM 775 O VAL A 54 27.751 -9.507 -9.798 1.00 0.00 O ATOM 776 CB VAL A 54 26.817 -6.556 -10.559 1.00 0.00 C ATOM 777 CG1 VAL A 54 26.053 -6.157 -9.273 1.00 0.00 C ATOM 778 CG2 VAL A 54 28.354 -6.461 -10.364 1.00 0.00 C ATOM 0 H VAL A 54 24.452 -7.143 -11.333 1.00 0.00 H new ATOM 0 HA VAL A 54 27.002 -8.232 -11.947 1.00 0.00 H new ATOM 0 HB VAL A 54 26.545 -5.835 -11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.384 -5.172 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 54 24.983 -6.130 -9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.253 -6.888 -8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.614 -5.467 -10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 54 28.676 -7.209 -9.639 1.00 0.00 H new ATOM 0 HG23 VAL A 54 28.853 -6.641 -11.316 1.00 0.00 H new ATOM 788 N LYS A 55 25.526 -9.447 -9.295 1.00 0.00 N ATOM 789 CA LYS A 55 25.579 -10.449 -8.205 1.00 0.00 C ATOM 790 C LYS A 55 26.218 -11.791 -8.651 1.00 0.00 C ATOM 791 O LYS A 55 27.032 -12.372 -7.920 1.00 0.00 O ATOM 792 CB LYS A 55 24.155 -10.685 -7.619 1.00 0.00 C ATOM 793 CG LYS A 55 24.078 -11.792 -6.535 1.00 0.00 C ATOM 794 CD LYS A 55 25.014 -11.517 -5.323 1.00 0.00 C ATOM 795 CE LYS A 55 25.075 -12.691 -4.329 1.00 0.00 C ATOM 796 NZ LYS A 55 23.750 -12.971 -3.716 1.00 0.00 N ATOM 0 H LYS A 55 24.590 -9.081 -9.469 1.00 0.00 H new ATOM 0 HA LYS A 55 26.225 -10.041 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.793 -9.750 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.480 -10.945 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.050 -11.877 -6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 55 24.342 -12.750 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 55 26.019 -11.305 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 55 24.670 -10.624 -4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 55 25.432 -13.583 -4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 55 25.797 -12.465 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 23.835 -13.768 -3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.420 -12.129 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 23.067 -13.213 -4.462 1.00 0.00 H new ATOM 810 N ASP A 56 25.854 -12.273 -9.842 1.00 0.00 N ATOM 811 CA ASP A 56 26.348 -13.573 -10.365 1.00 0.00 C ATOM 812 C ASP A 56 26.949 -13.406 -11.769 1.00 0.00 C ATOM 813 O ASP A 56 27.935 -14.068 -12.126 1.00 0.00 O ATOM 814 CB ASP A 56 25.185 -14.598 -10.396 1.00 0.00 C ATOM 815 CG ASP A 56 25.627 -15.990 -10.893 1.00 0.00 C ATOM 816 OD1 ASP A 56 26.119 -16.797 -10.071 1.00 0.00 O ATOM 817 OD2 ASP A 56 25.490 -16.278 -12.107 1.00 0.00 O ATOM 0 H ASP A 56 25.216 -11.788 -10.473 1.00 0.00 H new ATOM 0 HA ASP A 56 27.133 -13.939 -9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 56 24.763 -14.692 -9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.392 -14.221 -11.042 1.00 0.00 H new ATOM 822 N ALA A 57 26.320 -12.506 -12.532 1.00 0.00 N ATOM 823 CA ALA A 57 26.569 -12.283 -13.967 1.00 0.00 C ATOM 824 C ALA A 57 26.213 -13.536 -14.811 1.00 0.00 C ATOM 825 O ALA A 57 27.100 -14.157 -15.409 1.00 0.00 O ATOM 826 CB ALA A 57 27.997 -11.749 -14.233 1.00 0.00 C ATOM 0 H ALA A 57 25.598 -11.890 -12.158 1.00 0.00 H new ATOM 0 HA ALA A 57 25.895 -11.494 -14.299 1.00 0.00 H new ATOM 0 HB1 ALA A 57 28.136 -11.599 -15.304 1.00 0.00 H new ATOM 0 HB2 ALA A 57 28.133 -10.801 -13.713 1.00 0.00 H new ATOM 0 HB3 ALA A 57 28.729 -12.470 -13.870 1.00 0.00 H new ATOM 832 N PRO A 58 24.899 -13.959 -14.829 1.00 0.00 N ATOM 833 CA PRO A 58 24.416 -15.033 -15.726 1.00 0.00 C ATOM 834 C PRO A 58 23.932 -14.481 -17.094 1.00 0.00 C ATOM 835 O PRO A 58 23.589 -15.254 -17.996 1.00 0.00 O ATOM 836 CB PRO A 58 23.263 -15.638 -14.895 1.00 0.00 C ATOM 837 CG PRO A 58 22.650 -14.457 -14.194 1.00 0.00 C ATOM 838 CD PRO A 58 23.786 -13.463 -13.954 1.00 0.00 C ATOM 0 HA PRO A 58 25.184 -15.756 -16.002 1.00 0.00 H new ATOM 0 HB2 PRO A 58 22.537 -16.144 -15.531 1.00 0.00 H new ATOM 0 HB3 PRO A 58 23.631 -16.376 -14.183 1.00 0.00 H new ATOM 0 HG2 PRO A 58 21.864 -14.009 -14.802 1.00 0.00 H new ATOM 0 HG3 PRO A 58 22.192 -14.759 -13.252 1.00 0.00 H new ATOM 0 HD2 PRO A 58 23.491 -12.448 -14.222 1.00 0.00 H new ATOM 0 HD3 PRO A 58 24.083 -13.443 -12.905 1.00 0.00 H new ATOM 846 N SER A 59 23.913 -13.136 -17.212 1.00 0.00 N ATOM 847 CA SER A 59 23.528 -12.425 -18.431 1.00 0.00 C ATOM 848 C SER A 59 24.653 -12.581 -19.466 1.00 0.00 C ATOM 849 O SER A 59 25.770 -12.079 -19.258 1.00 0.00 O ATOM 850 CB SER A 59 23.282 -10.932 -18.105 1.00 0.00 C ATOM 851 OG SER A 59 22.333 -10.791 -17.054 1.00 0.00 O ATOM 0 H SER A 59 24.170 -12.512 -16.447 1.00 0.00 H new ATOM 0 HA SER A 59 22.607 -12.840 -18.839 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.221 -10.459 -17.818 1.00 0.00 H new ATOM 0 HB3 SER A 59 22.924 -10.415 -18.995 1.00 0.00 H new ATOM 0 HG SER A 59 21.956 -9.887 -17.073 1.00 0.00 H new ATOM 857 N ARG A 60 24.339 -13.296 -20.562 1.00 0.00 N ATOM 858 CA ARG A 60 25.293 -13.683 -21.627 1.00 0.00 C ATOM 859 C ARG A 60 26.419 -14.593 -21.053 1.00 0.00 C ATOM 860 O ARG A 60 26.358 -15.021 -19.891 1.00 0.00 O ATOM 861 CB ARG A 60 25.878 -12.444 -22.399 1.00 0.00 C ATOM 862 CG ARG A 60 24.825 -11.446 -22.990 1.00 0.00 C ATOM 863 CD ARG A 60 24.444 -10.305 -22.018 1.00 0.00 C ATOM 864 NE ARG A 60 23.258 -9.527 -22.443 1.00 0.00 N ATOM 865 CZ ARG A 60 22.683 -8.550 -21.709 1.00 0.00 C ATOM 866 NH1 ARG A 60 23.190 -8.194 -20.533 1.00 0.00 N ATOM 867 NH2 ARG A 60 21.597 -7.939 -22.165 1.00 0.00 N ATOM 0 H ARG A 60 23.392 -13.631 -20.739 1.00 0.00 H new ATOM 0 HA ARG A 60 24.735 -14.258 -22.366 1.00 0.00 H new ATOM 0 HB2 ARG A 60 26.531 -11.894 -21.722 1.00 0.00 H new ATOM 0 HB3 ARG A 60 26.501 -12.810 -23.215 1.00 0.00 H new ATOM 0 HG2 ARG A 60 25.222 -11.013 -23.908 1.00 0.00 H new ATOM 0 HG3 ARG A 60 23.925 -11.998 -23.261 1.00 0.00 H new ATOM 0 HD2 ARG A 60 24.254 -10.729 -21.032 1.00 0.00 H new ATOM 0 HD3 ARG A 60 25.293 -9.629 -21.916 1.00 0.00 H new ATOM 0 HE ARG A 60 22.848 -9.744 -23.351 1.00 0.00 H new ATOM 0 HH11 ARG A 60 24.023 -8.660 -20.175 1.00 0.00 H new ATOM 0 HH12 ARG A 60 22.746 -7.454 -19.989 1.00 0.00 H new ATOM 0 HH21 ARG A 60 21.201 -8.208 -23.066 1.00 0.00 H new ATOM 0 HH22 ARG A 60 21.158 -7.200 -21.615 1.00 0.00 H new ATOM 881 N LYS A 61 27.422 -14.922 -21.890 1.00 0.00 N ATOM 882 CA LYS A 61 28.623 -15.672 -21.459 1.00 0.00 C ATOM 883 C LYS A 61 29.896 -15.039 -22.091 1.00 0.00 C ATOM 884 O LYS A 61 29.982 -14.961 -23.331 1.00 0.00 O ATOM 885 CB LYS A 61 28.502 -17.198 -21.779 1.00 0.00 C ATOM 886 CG LYS A 61 28.019 -17.543 -23.203 1.00 0.00 C ATOM 887 CD LYS A 61 28.032 -19.064 -23.521 1.00 0.00 C ATOM 888 CE LYS A 61 29.421 -19.610 -23.932 1.00 0.00 C ATOM 889 NZ LYS A 61 30.447 -19.469 -22.869 1.00 0.00 N ATOM 890 OXT LYS A 61 30.792 -14.596 -21.343 1.00 0.00 O ATOM 0 H LYS A 61 27.425 -14.678 -22.880 1.00 0.00 H new ATOM 0 HA LYS A 61 28.708 -15.597 -20.375 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.476 -17.662 -21.622 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.815 -17.648 -21.062 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.006 -17.163 -23.334 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.650 -17.025 -23.926 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.683 -19.611 -22.645 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.323 -19.263 -24.324 1.00 0.00 H new ATOM 0 HE2 LYS A 61 29.325 -20.663 -24.197 1.00 0.00 H new ATOM 0 HE3 LYS A 61 29.760 -19.086 -24.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 31.187 -20.187 -23.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.871 -18.521 -22.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.003 -19.601 -21.938 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 5.430 0.746 -10.062 1.00 0.00 ZN HETATM 906 ZN ZN A 102 15.872 -7.474 -9.556 1.00 0.00 ZN