USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= -0.0701 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.456 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 21 THR OG1 : rot -84:sc= 0.287 USER MOD Single : A 22 GLN : amide:sc= -3.9! C(o=-3.9!,f=-5!) USER MOD Single : A 23 ASN : amide:sc= -1.3! C(o=-1.3!,f=-8.6!) USER MOD Single : A 24 GLN : amide:sc= -0.846 K(o=-0.85,f=-2.8!) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -0.294 (180deg=-1.1) USER MOD Single : A 30 ASN : amide:sc=-0.00416 K(o=-0.0042,f=-1.4!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.218 USER MOD Single : A 33 MET CE :methyl 168:sc=-0.00536 (180deg=-0.0391) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0937 USER MOD Single : A 38 ASN : amide:sc= -1.18 K(o=-1.2,f=-2) USER MOD Single : A 40 THR OG1 : rot 141:sc= 0.276 USER MOD Single : A 43 MET CE :methyl -144:sc= -0.234 (180deg=-2.66!) USER MOD Single : A 44 TYR OH : rot 60:sc=-0.00241 USER MOD Single : A 50 SER OG : rot -89:sc= 0.981 USER MOD Single : A 53 ASN : amide:sc= 0.714 K(o=0.71,f=-1.4) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.694 USER MOD Single : A 62 LYS NZ :NH3+ 136:sc= -0.0471 (180deg=-0.612) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.692 K(o=-0.69,f=-1.8!) USER MOD Single : A 66 MET CE :methyl -165:sc= -0.727 (180deg=-1.35) USER MOD Single : A 68 SER OG : rot 76:sc= 0.07 USER MOD Single : A 73 HIS : no HD1:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 160:sc= 0.163 USER MOD Single : A 79 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.29) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -31:sc= 0.901 USER MOD Single : A 84 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-5.8!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.83 K(o=-1.8,f=-3.3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -3.96 K(o=-4,f=-4.8!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 18.297 4.604 4.192 1.00 0.00 N ATOM 58 CA PRO A 5 18.324 5.274 2.860 1.00 0.00 C ATOM 59 C PRO A 5 16.964 5.166 2.136 1.00 0.00 C ATOM 60 O PRO A 5 16.130 4.363 2.505 1.00 0.00 O ATOM 61 CB PRO A 5 19.424 4.494 2.106 1.00 0.00 C ATOM 62 CG PRO A 5 20.102 3.521 3.092 1.00 0.00 C ATOM 63 CD PRO A 5 19.355 3.580 4.438 1.00 0.00 C ATOM 0 HA PRO A 5 18.519 6.344 2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.992 3.945 1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.159 5.183 1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 5 20.084 2.506 2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.149 3.791 3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.927 2.614 4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.016 3.871 5.254 1.00 0.00 H new ATOM 71 N PRO A 6 16.741 5.959 1.109 1.00 0.00 N ATOM 72 CA PRO A 6 15.454 5.902 0.354 1.00 0.00 C ATOM 73 C PRO A 6 15.304 4.595 -0.438 1.00 0.00 C ATOM 74 O PRO A 6 14.336 3.874 -0.298 1.00 0.00 O ATOM 75 CB PRO A 6 15.584 7.109 -0.595 1.00 0.00 C ATOM 76 CG PRO A 6 17.066 7.514 -0.636 1.00 0.00 C ATOM 77 CD PRO A 6 17.738 6.961 0.631 1.00 0.00 C ATOM 0 HA PRO A 6 14.577 5.933 1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.230 6.850 -1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 6 14.970 7.939 -0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.547 7.115 -1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.165 8.599 -0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.702 6.503 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 6 17.916 7.742 1.370 1.00 0.00 H new ATOM 85 N SER A 7 16.255 4.301 -1.278 1.00 0.00 N ATOM 86 CA SER A 7 16.181 3.058 -2.097 1.00 0.00 C ATOM 87 C SER A 7 16.153 1.829 -1.186 1.00 0.00 C ATOM 88 O SER A 7 15.458 0.868 -1.450 1.00 0.00 O ATOM 89 CB SER A 7 17.403 2.983 -3.012 1.00 0.00 C ATOM 90 OG SER A 7 18.567 2.772 -2.223 1.00 0.00 O ATOM 0 H SER A 7 17.086 4.871 -1.434 1.00 0.00 H new ATOM 0 HA SER A 7 15.270 3.078 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.285 2.172 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.500 3.905 -3.585 1.00 0.00 H new ATOM 0 HG SER A 7 19.353 2.722 -2.806 1.00 0.00 H new ATOM 96 N THR A 8 16.909 1.845 -0.124 1.00 0.00 N ATOM 97 CA THR A 8 16.928 0.666 0.789 1.00 0.00 C ATOM 98 C THR A 8 15.586 0.536 1.512 1.00 0.00 C ATOM 99 O THR A 8 15.073 -0.551 1.687 1.00 0.00 O ATOM 100 CB THR A 8 18.046 0.836 1.818 1.00 0.00 C ATOM 101 OG1 THR A 8 19.292 0.936 1.145 1.00 0.00 O ATOM 102 CG2 THR A 8 18.067 -0.370 2.759 1.00 0.00 C ATOM 0 H THR A 8 17.513 2.620 0.151 1.00 0.00 H new ATOM 0 HA THR A 8 17.103 -0.235 0.201 1.00 0.00 H new ATOM 0 HB THR A 8 17.871 1.742 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 8 20.002 0.576 1.717 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.865 -0.246 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.110 -0.446 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.242 -1.278 2.182 1.00 0.00 H new ATOM 110 N ALA A 9 15.004 1.626 1.929 1.00 0.00 N ATOM 111 CA ALA A 9 13.695 1.534 2.632 1.00 0.00 C ATOM 112 C ALA A 9 12.682 0.885 1.693 1.00 0.00 C ATOM 113 O ALA A 9 11.913 0.030 2.084 1.00 0.00 O ATOM 114 CB ALA A 9 13.215 2.935 3.021 1.00 0.00 C ATOM 0 H ALA A 9 15.375 2.569 1.815 1.00 0.00 H new ATOM 0 HA ALA A 9 13.801 0.935 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.257 2.862 3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.947 3.400 3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.100 3.542 2.123 1.00 0.00 H new ATOM 120 N LEU A 10 12.684 1.280 0.450 1.00 0.00 N ATOM 121 CA LEU A 10 11.731 0.680 -0.520 1.00 0.00 C ATOM 122 C LEU A 10 12.057 -0.809 -0.668 1.00 0.00 C ATOM 123 O LEU A 10 11.183 -1.652 -0.666 1.00 0.00 O ATOM 124 CB LEU A 10 11.887 1.372 -1.876 1.00 0.00 C ATOM 125 CG LEU A 10 10.789 0.888 -2.836 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.421 1.466 -2.431 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.139 1.335 -4.255 1.00 0.00 C ATOM 0 H LEU A 10 13.305 1.992 0.066 1.00 0.00 H new ATOM 0 HA LEU A 10 10.707 0.805 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.824 2.453 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.870 1.156 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 10 10.728 -0.199 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.657 1.112 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.174 1.142 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.462 2.555 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.366 0.996 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.204 2.423 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.098 0.905 -4.546 1.00 0.00 H new ATOM 139 N ARG A 11 13.317 -1.133 -0.798 1.00 0.00 N ATOM 140 CA ARG A 11 13.713 -2.562 -0.947 1.00 0.00 C ATOM 141 C ARG A 11 13.253 -3.340 0.288 1.00 0.00 C ATOM 142 O ARG A 11 12.697 -4.415 0.190 1.00 0.00 O ATOM 143 CB ARG A 11 15.243 -2.645 -1.056 1.00 0.00 C ATOM 144 CG ARG A 11 15.723 -2.066 -2.401 1.00 0.00 C ATOM 145 CD ARG A 11 15.657 -3.135 -3.499 1.00 0.00 C ATOM 146 NE ARG A 11 16.700 -4.167 -3.237 1.00 0.00 N ATOM 147 CZ ARG A 11 16.668 -5.305 -3.872 1.00 0.00 C ATOM 148 NH1 ARG A 11 15.737 -5.534 -4.756 1.00 0.00 N ATOM 149 NH2 ARG A 11 17.571 -6.215 -3.625 1.00 0.00 N ATOM 0 H ARG A 11 14.089 -0.467 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 11 13.254 -2.986 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.702 -2.097 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.564 -3.683 -0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.104 -1.213 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.745 -1.700 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.669 -3.595 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.815 -2.680 -4.477 1.00 0.00 H new ATOM 0 HE ARG A 11 17.440 -3.982 -2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.033 -4.822 -4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.713 -6.425 -5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.301 -6.035 -2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.547 -7.106 -4.121 1.00 0.00 H new ATOM 163 N GLU A 12 13.478 -2.793 1.450 1.00 0.00 N ATOM 164 CA GLU A 12 13.056 -3.479 2.702 1.00 0.00 C ATOM 165 C GLU A 12 11.530 -3.615 2.723 1.00 0.00 C ATOM 166 O GLU A 12 10.990 -4.621 3.137 1.00 0.00 O ATOM 167 CB GLU A 12 13.521 -2.657 3.906 1.00 0.00 C ATOM 168 CG GLU A 12 15.046 -2.737 4.019 1.00 0.00 C ATOM 169 CD GLU A 12 15.517 -1.886 5.200 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.687 -1.211 5.786 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.700 -1.921 5.494 1.00 0.00 O ATOM 0 H GLU A 12 13.939 -1.894 1.586 1.00 0.00 H new ATOM 0 HA GLU A 12 13.502 -4.472 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.208 -1.619 3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.058 -3.033 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.357 -3.773 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.508 -2.385 3.097 1.00 0.00 H new ATOM 178 N LEU A 13 10.832 -2.601 2.287 1.00 0.00 N ATOM 179 CA LEU A 13 9.341 -2.657 2.288 1.00 0.00 C ATOM 180 C LEU A 13 8.855 -3.669 1.244 1.00 0.00 C ATOM 181 O LEU A 13 7.944 -4.435 1.489 1.00 0.00 O ATOM 182 CB LEU A 13 8.805 -1.261 1.943 1.00 0.00 C ATOM 183 CG LEU A 13 7.268 -1.248 1.909 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.698 -1.574 3.297 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.799 0.146 1.477 1.00 0.00 C ATOM 0 H LEU A 13 11.231 -1.733 1.929 1.00 0.00 H new ATOM 0 HA LEU A 13 8.981 -2.968 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.161 -0.540 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.195 -0.948 0.975 1.00 0.00 H new ATOM 0 HG LEU A 13 6.915 -2.001 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.609 -1.561 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.037 -2.563 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.043 -0.831 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.710 0.171 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.160 0.888 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.193 0.372 0.486 1.00 0.00 H new ATOM 197 N ILE A 14 9.453 -3.684 0.085 1.00 0.00 N ATOM 198 CA ILE A 14 9.019 -4.653 -0.961 1.00 0.00 C ATOM 199 C ILE A 14 9.222 -6.084 -0.450 1.00 0.00 C ATOM 200 O ILE A 14 8.372 -6.937 -0.608 1.00 0.00 O ATOM 201 CB ILE A 14 9.835 -4.422 -2.239 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.410 -3.090 -2.866 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.578 -5.559 -3.236 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.417 -2.682 -3.944 1.00 0.00 C ATOM 0 H ILE A 14 10.221 -3.069 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 14 7.962 -4.506 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 14 10.897 -4.397 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.415 -3.183 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.352 -2.318 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.161 -5.388 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.872 -6.508 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.518 -5.590 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.111 -1.734 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.405 -2.571 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.453 -3.449 -4.717 1.00 0.00 H new ATOM 216 N GLU A 15 10.344 -6.350 0.160 1.00 0.00 N ATOM 217 CA GLU A 15 10.611 -7.722 0.681 1.00 0.00 C ATOM 218 C GLU A 15 9.544 -8.108 1.710 1.00 0.00 C ATOM 219 O GLU A 15 9.085 -9.232 1.747 1.00 0.00 O ATOM 220 CB GLU A 15 11.992 -7.750 1.337 1.00 0.00 C ATOM 221 CG GLU A 15 13.066 -7.624 0.256 1.00 0.00 C ATOM 222 CD GLU A 15 14.450 -7.582 0.906 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.510 -7.464 2.119 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.426 -7.666 0.180 1.00 0.00 O ATOM 0 H GLU A 15 11.091 -5.674 0.321 1.00 0.00 H new ATOM 0 HA GLU A 15 10.581 -8.434 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.084 -6.934 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.125 -8.679 1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.003 -8.466 -0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.901 -6.720 -0.330 1.00 0.00 H new ATOM 231 N GLU A 16 9.147 -7.189 2.548 1.00 0.00 N ATOM 232 CA GLU A 16 8.113 -7.517 3.571 1.00 0.00 C ATOM 233 C GLU A 16 6.763 -7.725 2.882 1.00 0.00 C ATOM 234 O GLU A 16 6.050 -8.665 3.167 1.00 0.00 O ATOM 235 CB GLU A 16 8.002 -6.355 4.566 1.00 0.00 C ATOM 236 CG GLU A 16 6.994 -6.696 5.671 1.00 0.00 C ATOM 237 CD GLU A 16 7.516 -7.872 6.497 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.707 -8.129 6.439 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.716 -8.495 7.175 1.00 0.00 O ATOM 0 H GLU A 16 9.492 -6.229 2.569 1.00 0.00 H new ATOM 0 HA GLU A 16 8.396 -8.428 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.978 -6.149 5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.689 -5.450 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.836 -5.829 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.029 -6.947 5.232 1.00 0.00 H new ATOM 246 N LEU A 17 6.405 -6.851 1.982 1.00 0.00 N ATOM 247 CA LEU A 17 5.097 -6.993 1.281 1.00 0.00 C ATOM 248 C LEU A 17 5.062 -8.306 0.492 1.00 0.00 C ATOM 249 O LEU A 17 4.065 -8.999 0.470 1.00 0.00 O ATOM 250 CB LEU A 17 4.904 -5.812 0.327 1.00 0.00 C ATOM 251 CG LEU A 17 4.670 -4.527 1.137 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.699 -3.321 0.191 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.310 -4.591 1.871 1.00 0.00 C ATOM 0 H LEU A 17 6.962 -6.044 1.701 1.00 0.00 H new ATOM 0 HA LEU A 17 4.294 -7.004 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.782 -5.698 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.056 -5.998 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 17 5.459 -4.426 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.533 -2.407 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.669 -3.270 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.915 -3.428 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.160 -3.673 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.508 -4.701 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.303 -5.444 2.550 1.00 0.00 H new ATOM 265 N VAL A 18 6.136 -8.649 -0.160 1.00 0.00 N ATOM 266 CA VAL A 18 6.156 -9.914 -0.952 1.00 0.00 C ATOM 267 C VAL A 18 6.087 -11.129 -0.016 1.00 0.00 C ATOM 268 O VAL A 18 5.389 -12.086 -0.277 1.00 0.00 O ATOM 269 CB VAL A 18 7.450 -9.966 -1.777 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.620 -11.352 -2.405 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.382 -8.916 -2.887 1.00 0.00 C ATOM 0 H VAL A 18 7.002 -8.110 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 18 5.292 -9.939 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 18 8.298 -9.764 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.541 -11.377 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.668 -12.105 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.772 -11.562 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.299 -8.949 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.529 -9.124 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.270 -7.926 -2.445 1.00 0.00 H new ATOM 281 N ASN A 19 6.829 -11.107 1.054 1.00 0.00 N ATOM 282 CA ASN A 19 6.837 -12.269 1.991 1.00 0.00 C ATOM 283 C ASN A 19 5.439 -12.545 2.567 1.00 0.00 C ATOM 284 O ASN A 19 5.049 -13.683 2.738 1.00 0.00 O ATOM 285 CB ASN A 19 7.799 -11.973 3.144 1.00 0.00 C ATOM 286 CG ASN A 19 7.849 -13.177 4.085 1.00 0.00 C ATOM 287 OD1 ASN A 19 7.198 -13.192 5.111 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.604 -14.196 3.776 1.00 0.00 N ATOM 0 H ASN A 19 7.434 -10.331 1.323 1.00 0.00 H new ATOM 0 HA ASN A 19 7.156 -13.150 1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.795 -11.759 2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.472 -11.086 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.648 -15.005 4.396 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.150 -14.183 2.915 1.00 0.00 H new ATOM 295 N ILE A 20 4.699 -11.526 2.906 1.00 0.00 N ATOM 296 CA ILE A 20 3.351 -11.752 3.515 1.00 0.00 C ATOM 297 C ILE A 20 2.310 -12.190 2.472 1.00 0.00 C ATOM 298 O ILE A 20 1.301 -12.771 2.819 1.00 0.00 O ATOM 299 CB ILE A 20 2.887 -10.468 4.208 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.798 -9.329 3.190 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.889 -10.094 5.302 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.231 -8.078 3.866 1.00 0.00 C ATOM 0 H ILE A 20 4.965 -10.548 2.790 1.00 0.00 H new ATOM 0 HA ILE A 20 3.442 -12.560 4.241 1.00 0.00 H new ATOM 0 HB ILE A 20 1.903 -10.632 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.785 -9.117 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.162 -9.623 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.562 -9.180 5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.949 -10.901 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.871 -9.934 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.169 -7.268 3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.236 -8.294 4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.884 -7.780 4.686 1.00 0.00 H new ATOM 314 N THR A 21 2.525 -11.918 1.207 1.00 0.00 N ATOM 315 CA THR A 21 1.511 -12.326 0.174 1.00 0.00 C ATOM 316 C THR A 21 1.920 -13.652 -0.475 1.00 0.00 C ATOM 317 O THR A 21 1.097 -14.368 -1.006 1.00 0.00 O ATOM 318 CB THR A 21 1.412 -11.244 -0.911 1.00 0.00 C ATOM 319 OG1 THR A 21 2.704 -10.996 -1.446 1.00 0.00 O ATOM 320 CG2 THR A 21 0.846 -9.946 -0.320 1.00 0.00 C ATOM 0 H THR A 21 3.348 -11.437 0.844 1.00 0.00 H new ATOM 0 HA THR A 21 0.544 -12.448 0.663 1.00 0.00 H new ATOM 0 HB THR A 21 0.745 -11.592 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.174 -10.350 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.782 -9.188 -1.101 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.148 -10.134 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.502 -9.592 0.476 1.00 0.00 H new ATOM 328 N GLN A 22 3.176 -13.996 -0.434 1.00 0.00 N ATOM 329 CA GLN A 22 3.604 -15.288 -1.044 1.00 0.00 C ATOM 330 C GLN A 22 3.245 -16.446 -0.108 1.00 0.00 C ATOM 331 O GLN A 22 3.006 -17.556 -0.540 1.00 0.00 O ATOM 332 CB GLN A 22 5.115 -15.278 -1.281 1.00 0.00 C ATOM 333 CG GLN A 22 5.451 -14.332 -2.436 1.00 0.00 C ATOM 334 CD GLN A 22 6.968 -14.263 -2.607 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.708 -14.559 -1.690 1.00 0.00 O ATOM 336 NE2 GLN A 22 7.467 -13.886 -3.753 1.00 0.00 N ATOM 0 H GLN A 22 3.921 -13.444 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 22 3.090 -15.417 -1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.632 -14.960 -0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.463 -16.285 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.985 -14.684 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.050 -13.338 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.846 -13.638 -4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.478 -13.840 -3.879 1.00 0.00 H new ATOM 345 N ASN A 23 3.223 -16.199 1.176 1.00 0.00 N ATOM 346 CA ASN A 23 2.902 -17.285 2.154 1.00 0.00 C ATOM 347 C ASN A 23 1.417 -17.251 2.530 1.00 0.00 C ATOM 348 O ASN A 23 0.980 -17.982 3.396 1.00 0.00 O ATOM 349 CB ASN A 23 3.742 -17.082 3.416 1.00 0.00 C ATOM 350 CG ASN A 23 3.348 -15.764 4.085 1.00 0.00 C ATOM 351 OD1 ASN A 23 2.501 -15.048 3.588 1.00 0.00 O ATOM 352 ND2 ASN A 23 3.928 -15.409 5.198 1.00 0.00 N ATOM 0 H ASN A 23 3.414 -15.288 1.593 1.00 0.00 H new ATOM 0 HA ASN A 23 3.127 -18.249 1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.588 -17.912 4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.802 -17.071 3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.671 -14.532 5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.639 -16.009 5.616 1.00 0.00 H new ATOM 359 N GLN A 24 0.632 -16.415 1.903 1.00 0.00 N ATOM 360 CA GLN A 24 -0.818 -16.362 2.261 1.00 0.00 C ATOM 361 C GLN A 24 -1.580 -17.459 1.505 1.00 0.00 C ATOM 362 O GLN A 24 -1.648 -17.467 0.293 1.00 0.00 O ATOM 363 CB GLN A 24 -1.390 -14.971 1.917 1.00 0.00 C ATOM 364 CG GLN A 24 -1.672 -14.851 0.411 1.00 0.00 C ATOM 365 CD GLN A 24 -1.816 -13.375 0.029 1.00 0.00 C ATOM 366 OE1 GLN A 24 -2.032 -12.533 0.879 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.705 -13.023 -1.222 1.00 0.00 N ATOM 0 H GLN A 24 0.926 -15.773 1.167 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.933 -16.532 3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.309 -14.803 2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.685 -14.198 2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.862 -15.306 -0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.583 -15.393 0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.524 -13.728 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.799 -12.042 -1.486 1.00 0.00 H new ATOM 376 N LYS A 25 -2.158 -18.385 2.219 1.00 0.00 N ATOM 377 CA LYS A 25 -2.928 -19.473 1.552 1.00 0.00 C ATOM 378 C LYS A 25 -4.345 -18.969 1.281 1.00 0.00 C ATOM 379 O LYS A 25 -5.039 -19.452 0.409 1.00 0.00 O ATOM 380 CB LYS A 25 -2.980 -20.695 2.472 1.00 0.00 C ATOM 381 CG LYS A 25 -3.600 -21.879 1.721 1.00 0.00 C ATOM 382 CD LYS A 25 -3.846 -23.044 2.690 1.00 0.00 C ATOM 383 CE LYS A 25 -2.517 -23.677 3.124 1.00 0.00 C ATOM 384 NZ LYS A 25 -1.665 -23.945 1.929 1.00 0.00 N ATOM 0 H LYS A 25 -2.130 -18.435 3.237 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.449 -19.754 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.976 -20.951 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.567 -20.468 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.539 -21.575 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.937 -22.198 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.388 -22.687 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.474 -23.796 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.995 -23.011 3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.706 -24.606 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.024 -24.739 2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.270 -24.186 1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.106 -23.097 1.704 1.00 0.00 H new ATOM 398 N ALA A 26 -4.773 -17.988 2.032 1.00 0.00 N ATOM 399 CA ALA A 26 -6.141 -17.421 1.848 1.00 0.00 C ATOM 400 C ALA A 26 -6.063 -15.897 2.054 1.00 0.00 C ATOM 401 O ALA A 26 -5.133 -15.406 2.663 1.00 0.00 O ATOM 402 CB ALA A 26 -7.087 -18.062 2.888 1.00 0.00 C ATOM 0 H ALA A 26 -4.226 -17.551 2.774 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.523 -17.630 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.091 -17.656 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.111 -19.142 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.727 -17.841 3.893 1.00 0.00 H new ATOM 408 N PRO A 27 -7.022 -15.150 1.555 1.00 0.00 N ATOM 409 CA PRO A 27 -7.007 -13.672 1.717 1.00 0.00 C ATOM 410 C PRO A 27 -6.541 -13.240 3.116 1.00 0.00 C ATOM 411 O PRO A 27 -6.830 -13.883 4.106 1.00 0.00 O ATOM 412 CB PRO A 27 -8.482 -13.312 1.463 1.00 0.00 C ATOM 413 CG PRO A 27 -9.152 -14.511 0.757 1.00 0.00 C ATOM 414 CD PRO A 27 -8.179 -15.708 0.803 1.00 0.00 C ATOM 0 HA PRO A 27 -6.308 -13.169 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.988 -13.092 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.555 -12.417 0.845 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.090 -14.766 1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.393 -14.257 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.617 -16.568 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.893 -16.038 -0.196 1.00 0.00 H new ATOM 422 N LEU A 28 -5.815 -12.158 3.196 1.00 0.00 N ATOM 423 CA LEU A 28 -5.320 -11.681 4.519 1.00 0.00 C ATOM 424 C LEU A 28 -6.489 -11.148 5.347 1.00 0.00 C ATOM 425 O LEU A 28 -6.324 -10.760 6.487 1.00 0.00 O ATOM 426 CB LEU A 28 -4.302 -10.555 4.310 1.00 0.00 C ATOM 427 CG LEU A 28 -3.026 -11.102 3.655 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.109 -9.928 3.297 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.294 -12.061 4.619 1.00 0.00 C ATOM 0 H LEU A 28 -5.543 -11.582 2.399 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.849 -12.512 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.735 -9.776 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.058 -10.094 5.267 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.292 -11.655 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.199 -10.306 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.623 -9.263 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.851 -9.378 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.392 -12.440 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.024 -11.526 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.949 -12.895 4.870 1.00 0.00 H new ATOM 441 N CYS A 29 -7.670 -11.113 4.787 1.00 0.00 N ATOM 442 CA CYS A 29 -8.844 -10.590 5.551 1.00 0.00 C ATOM 443 C CYS A 29 -10.110 -11.345 5.145 1.00 0.00 C ATOM 444 O CYS A 29 -10.119 -12.107 4.199 1.00 0.00 O ATOM 445 CB CYS A 29 -9.023 -9.104 5.242 1.00 0.00 C ATOM 446 SG CYS A 29 -7.597 -8.183 5.867 1.00 0.00 S ATOM 0 H CYS A 29 -7.873 -11.423 3.837 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.670 -10.730 6.618 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.123 -8.955 4.167 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.939 -8.734 5.702 1.00 0.00 H new ATOM 451 N ASN A 30 -11.180 -11.134 5.860 1.00 0.00 N ATOM 452 CA ASN A 30 -12.457 -11.828 5.535 1.00 0.00 C ATOM 453 C ASN A 30 -12.984 -11.331 4.186 1.00 0.00 C ATOM 454 O ASN A 30 -14.159 -11.059 4.032 1.00 0.00 O ATOM 455 CB ASN A 30 -13.483 -11.523 6.626 1.00 0.00 C ATOM 456 CG ASN A 30 -13.047 -12.191 7.931 1.00 0.00 C ATOM 457 OD1 ASN A 30 -12.417 -13.230 7.914 1.00 0.00 O ATOM 458 ND2 ASN A 30 -13.346 -11.628 9.070 1.00 0.00 N ATOM 0 H ASN A 30 -11.224 -10.505 6.662 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.285 -12.903 5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.571 -10.446 6.767 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.466 -11.887 6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.051 -12.060 9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.875 -10.756 9.085 1.00 0.00 H new ATOM 465 N GLY A 31 -12.128 -11.206 3.210 1.00 0.00 N ATOM 466 CA GLY A 31 -12.586 -10.722 1.877 1.00 0.00 C ATOM 467 C GLY A 31 -12.724 -9.199 1.905 1.00 0.00 C ATOM 468 O GLY A 31 -13.547 -8.628 1.218 1.00 0.00 O ATOM 0 H GLY A 31 -11.132 -11.418 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.874 -11.019 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.542 -11.179 1.621 1.00 0.00 H new ATOM 472 N SER A 32 -11.924 -8.534 2.694 1.00 0.00 N ATOM 473 CA SER A 32 -12.016 -7.049 2.762 1.00 0.00 C ATOM 474 C SER A 32 -11.749 -6.466 1.375 1.00 0.00 C ATOM 475 O SER A 32 -10.892 -6.934 0.652 1.00 0.00 O ATOM 476 CB SER A 32 -10.975 -6.509 3.744 1.00 0.00 C ATOM 477 OG SER A 32 -11.343 -6.872 5.069 1.00 0.00 O ATOM 0 H SER A 32 -11.213 -8.954 3.293 1.00 0.00 H new ATOM 0 HA SER A 32 -13.012 -6.764 3.100 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.990 -6.911 3.505 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.906 -5.425 3.658 1.00 0.00 H new ATOM 0 HG SER A 32 -10.676 -6.528 5.700 1.00 0.00 H new ATOM 483 N MET A 33 -12.488 -5.452 0.999 1.00 0.00 N ATOM 484 CA MET A 33 -12.305 -4.818 -0.344 1.00 0.00 C ATOM 485 C MET A 33 -11.936 -3.345 -0.151 1.00 0.00 C ATOM 486 O MET A 33 -12.307 -2.732 0.831 1.00 0.00 O ATOM 487 CB MET A 33 -13.612 -4.931 -1.132 1.00 0.00 C ATOM 488 CG MET A 33 -13.973 -6.410 -1.301 1.00 0.00 C ATOM 489 SD MET A 33 -15.443 -6.564 -2.350 1.00 0.00 S ATOM 490 CE MET A 33 -14.614 -6.486 -3.960 1.00 0.00 C ATOM 0 H MET A 33 -13.219 -5.031 1.572 1.00 0.00 H new ATOM 0 HA MET A 33 -11.510 -5.321 -0.894 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.412 -4.407 -0.609 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.504 -4.457 -2.108 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.138 -6.949 -1.747 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.160 -6.862 -0.327 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.314 -6.775 -4.744 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.266 -5.469 -4.141 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.763 -7.167 -3.964 1.00 0.00 H new ATOM 500 N VAL A 34 -11.196 -2.776 -1.074 1.00 0.00 N ATOM 501 CA VAL A 34 -10.779 -1.340 -0.949 1.00 0.00 C ATOM 502 C VAL A 34 -11.100 -0.591 -2.244 1.00 0.00 C ATOM 503 O VAL A 34 -11.332 -1.184 -3.278 1.00 0.00 O ATOM 504 CB VAL A 34 -9.273 -1.271 -0.687 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.976 -1.779 0.725 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.539 -2.146 -1.707 1.00 0.00 C ATOM 0 H VAL A 34 -10.861 -3.247 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.320 -0.880 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.935 -0.239 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.903 -1.730 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.499 -1.159 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.313 -2.811 0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.466 -2.098 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.878 -3.178 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.750 -1.786 -2.714 1.00 0.00 H new ATOM 516 N TRP A 35 -11.125 0.714 -2.186 1.00 0.00 N ATOM 517 CA TRP A 35 -11.442 1.516 -3.403 1.00 0.00 C ATOM 518 C TRP A 35 -10.265 1.477 -4.380 1.00 0.00 C ATOM 519 O TRP A 35 -9.122 1.636 -4.000 1.00 0.00 O ATOM 520 CB TRP A 35 -11.695 2.968 -2.997 1.00 0.00 C ATOM 521 CG TRP A 35 -12.943 3.057 -2.181 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.996 2.992 -0.830 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.314 3.232 -2.636 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.312 3.121 -0.428 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.164 3.269 -1.505 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.896 3.361 -3.909 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.543 3.430 -1.632 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.286 3.521 -4.041 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.107 3.556 -2.905 1.00 0.00 C ATOM 0 H TRP A 35 -10.939 1.261 -1.345 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.326 1.097 -3.883 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.848 3.348 -2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.786 3.593 -3.886 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.148 2.861 -0.174 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.617 3.108 0.545 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.272 3.337 -4.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.171 3.457 -0.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.724 3.618 -5.023 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.174 3.680 -3.013 1.00 0.00 H new ATOM 540 N SER A 36 -10.539 1.283 -5.643 1.00 0.00 N ATOM 541 CA SER A 36 -9.439 1.254 -6.646 1.00 0.00 C ATOM 542 C SER A 36 -8.881 2.670 -6.812 1.00 0.00 C ATOM 543 O SER A 36 -9.588 3.644 -6.645 1.00 0.00 O ATOM 544 CB SER A 36 -9.982 0.758 -7.986 1.00 0.00 C ATOM 545 OG SER A 36 -10.764 1.784 -8.583 1.00 0.00 O ATOM 0 H SER A 36 -11.476 1.144 -6.021 1.00 0.00 H new ATOM 0 HA SER A 36 -8.649 0.583 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.159 0.481 -8.645 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.587 -0.137 -7.838 1.00 0.00 H new ATOM 0 HG SER A 36 -11.113 1.471 -9.444 1.00 0.00 H new ATOM 551 N ILE A 37 -7.619 2.795 -7.138 1.00 0.00 N ATOM 552 CA ILE A 37 -7.009 4.153 -7.314 1.00 0.00 C ATOM 553 C ILE A 37 -6.097 4.159 -8.542 1.00 0.00 C ATOM 554 O ILE A 37 -5.736 3.124 -9.067 1.00 0.00 O ATOM 555 CB ILE A 37 -6.183 4.511 -6.072 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.176 3.390 -5.772 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.113 4.695 -4.868 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.110 3.905 -4.802 1.00 0.00 C ATOM 0 H ILE A 37 -6.981 2.014 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.805 4.885 -7.450 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.644 5.439 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.690 2.531 -5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.708 3.051 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.523 4.949 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.821 5.498 -5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.658 3.769 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.396 3.109 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.588 4.750 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.585 4.223 -3.874 1.00 0.00 H new ATOM 570 N ASN A 38 -5.701 5.322 -8.990 1.00 0.00 N ATOM 571 CA ASN A 38 -4.790 5.400 -10.166 1.00 0.00 C ATOM 572 C ASN A 38 -3.354 5.295 -9.655 1.00 0.00 C ATOM 573 O ASN A 38 -2.927 6.069 -8.821 1.00 0.00 O ATOM 574 CB ASN A 38 -4.985 6.736 -10.885 1.00 0.00 C ATOM 575 CG ASN A 38 -4.079 6.787 -12.117 1.00 0.00 C ATOM 576 OD1 ASN A 38 -3.454 7.794 -12.386 1.00 0.00 O ATOM 577 ND2 ASN A 38 -3.978 5.734 -12.880 1.00 0.00 N ATOM 0 H ASN A 38 -5.970 6.221 -8.591 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.005 4.594 -10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.027 6.853 -11.181 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.750 7.561 -10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.375 5.756 -13.702 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.502 4.889 -12.655 1.00 0.00 H new ATOM 584 N LEU A 39 -2.611 4.332 -10.124 1.00 0.00 N ATOM 585 CA LEU A 39 -1.215 4.172 -9.632 1.00 0.00 C ATOM 586 C LEU A 39 -0.297 5.162 -10.360 1.00 0.00 C ATOM 587 O LEU A 39 -0.104 5.076 -11.557 1.00 0.00 O ATOM 588 CB LEU A 39 -0.731 2.739 -9.894 1.00 0.00 C ATOM 589 CG LEU A 39 -1.481 1.724 -9.005 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.160 1.959 -7.519 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.998 1.834 -9.231 1.00 0.00 C ATOM 0 H LEU A 39 -2.908 3.652 -10.823 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.189 4.370 -8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.882 2.488 -10.944 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.340 2.673 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.149 0.723 -9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.699 1.233 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.088 1.845 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.465 2.967 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.514 1.112 -8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.331 2.841 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.226 1.627 -10.277 1.00 0.00 H new ATOM 603 N THR A 40 0.276 6.103 -9.645 1.00 0.00 N ATOM 604 CA THR A 40 1.186 7.099 -10.297 1.00 0.00 C ATOM 605 C THR A 40 2.345 7.445 -9.351 1.00 0.00 C ATOM 606 O THR A 40 3.290 6.692 -9.220 1.00 0.00 O ATOM 607 CB THR A 40 0.401 8.373 -10.628 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.233 8.858 -9.453 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.656 8.065 -11.691 1.00 0.00 C ATOM 0 H THR A 40 0.153 6.224 -8.640 1.00 0.00 H new ATOM 0 HA THR A 40 1.587 6.668 -11.215 1.00 0.00 H new ATOM 0 HB THR A 40 1.086 9.130 -11.010 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.185 9.837 -9.435 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.213 8.973 -11.924 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.168 7.697 -12.593 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.341 7.306 -11.313 1.00 0.00 H new ATOM 617 N ALA A 41 2.282 8.586 -8.697 1.00 0.00 N ATOM 618 CA ALA A 41 3.384 9.000 -7.761 1.00 0.00 C ATOM 619 C ALA A 41 2.837 9.147 -6.336 1.00 0.00 C ATOM 620 O ALA A 41 3.368 8.584 -5.400 1.00 0.00 O ATOM 621 CB ALA A 41 3.957 10.343 -8.219 1.00 0.00 C ATOM 0 H ALA A 41 1.512 9.251 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 41 4.164 8.238 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.756 10.647 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.354 10.244 -9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.169 11.096 -8.211 1.00 0.00 H new ATOM 627 N GLY A 42 1.780 9.896 -6.160 1.00 0.00 N ATOM 628 CA GLY A 42 1.207 10.070 -4.790 1.00 0.00 C ATOM 629 C GLY A 42 0.519 8.773 -4.356 1.00 0.00 C ATOM 630 O GLY A 42 -0.435 8.782 -3.604 1.00 0.00 O ATOM 0 H GLY A 42 1.289 10.394 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.996 10.329 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.492 10.893 -4.785 1.00 0.00 H new ATOM 634 N MET A 43 0.994 7.660 -4.839 1.00 0.00 N ATOM 635 CA MET A 43 0.378 6.354 -4.484 1.00 0.00 C ATOM 636 C MET A 43 0.467 6.116 -2.979 1.00 0.00 C ATOM 637 O MET A 43 -0.450 5.606 -2.370 1.00 0.00 O ATOM 638 CB MET A 43 1.132 5.247 -5.207 1.00 0.00 C ATOM 639 CG MET A 43 0.983 5.451 -6.710 1.00 0.00 C ATOM 640 SD MET A 43 1.811 4.103 -7.589 1.00 0.00 S ATOM 641 CE MET A 43 3.490 4.450 -7.011 1.00 0.00 C ATOM 0 H MET A 43 1.792 7.600 -5.472 1.00 0.00 H new ATOM 0 HA MET A 43 -0.671 6.359 -4.779 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.185 5.263 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.740 4.272 -4.918 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.072 5.481 -6.980 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.414 6.408 -7.002 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.201 4.239 -7.810 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.567 5.499 -6.725 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.715 3.822 -6.149 1.00 0.00 H new ATOM 651 N TYR A 44 1.567 6.464 -2.377 1.00 0.00 N ATOM 652 CA TYR A 44 1.712 6.232 -0.915 1.00 0.00 C ATOM 653 C TYR A 44 0.612 6.991 -0.174 1.00 0.00 C ATOM 654 O TYR A 44 -0.018 6.472 0.726 1.00 0.00 O ATOM 655 CB TYR A 44 3.081 6.743 -0.466 1.00 0.00 C ATOM 656 CG TYR A 44 4.160 5.892 -1.091 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.683 6.237 -2.343 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.631 4.755 -0.425 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.679 5.446 -2.928 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.626 3.963 -1.010 1.00 0.00 C ATOM 661 CZ TYR A 44 6.150 4.308 -2.262 1.00 0.00 C ATOM 662 OH TYR A 44 7.131 3.526 -2.839 1.00 0.00 O ATOM 0 H TYR A 44 2.370 6.898 -2.832 1.00 0.00 H new ATOM 0 HA TYR A 44 1.628 5.168 -0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.207 7.785 -0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.157 6.707 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.318 7.114 -2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.227 4.489 0.540 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.084 5.714 -3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.990 3.086 -0.496 1.00 0.00 H new ATOM 0 HH TYR A 44 7.936 4.066 -2.984 1.00 0.00 H new ATOM 672 N CYS A 45 0.368 8.210 -0.557 1.00 0.00 N ATOM 673 CA CYS A 45 -0.700 9.007 0.105 1.00 0.00 C ATOM 674 C CYS A 45 -2.068 8.408 -0.250 1.00 0.00 C ATOM 675 O CYS A 45 -2.855 8.063 0.612 1.00 0.00 O ATOM 676 CB CYS A 45 -0.613 10.448 -0.397 1.00 0.00 C ATOM 677 SG CYS A 45 1.131 10.912 -0.541 1.00 0.00 S ATOM 0 H CYS A 45 0.865 8.693 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.574 8.989 1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.109 10.542 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.126 11.119 0.292 1.00 0.00 H new ATOM 682 N ALA A 46 -2.351 8.288 -1.520 1.00 0.00 N ATOM 683 CA ALA A 46 -3.661 7.720 -1.960 1.00 0.00 C ATOM 684 C ALA A 46 -3.796 6.261 -1.504 1.00 0.00 C ATOM 685 O ALA A 46 -4.838 5.835 -1.045 1.00 0.00 O ATOM 686 CB ALA A 46 -3.743 7.778 -3.486 1.00 0.00 C ATOM 0 H ALA A 46 -1.726 8.561 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.467 8.304 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.697 7.365 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.663 8.814 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.928 7.196 -3.917 1.00 0.00 H new ATOM 692 N ALA A 47 -2.762 5.484 -1.640 1.00 0.00 N ATOM 693 CA ALA A 47 -2.856 4.057 -1.223 1.00 0.00 C ATOM 694 C ALA A 47 -3.115 3.969 0.282 1.00 0.00 C ATOM 695 O ALA A 47 -3.865 3.133 0.745 1.00 0.00 O ATOM 696 CB ALA A 47 -1.548 3.333 -1.554 1.00 0.00 C ATOM 0 H ALA A 47 -1.860 5.771 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.679 3.586 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.622 2.290 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.366 3.383 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.724 3.810 -1.023 1.00 0.00 H new ATOM 702 N LEU A 48 -2.478 4.806 1.052 1.00 0.00 N ATOM 703 CA LEU A 48 -2.666 4.748 2.527 1.00 0.00 C ATOM 704 C LEU A 48 -4.138 4.982 2.898 1.00 0.00 C ATOM 705 O LEU A 48 -4.711 4.225 3.652 1.00 0.00 O ATOM 706 CB LEU A 48 -1.772 5.804 3.190 1.00 0.00 C ATOM 707 CG LEU A 48 -1.943 5.770 4.717 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.556 4.384 5.263 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.037 6.837 5.341 1.00 0.00 C ATOM 0 H LEU A 48 -1.836 5.527 0.723 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.385 3.757 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.729 5.621 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.026 6.794 2.811 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.984 5.969 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.681 4.372 6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.197 3.625 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.516 4.173 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.150 6.822 6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.001 6.630 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.317 7.819 4.961 1.00 0.00 H new ATOM 721 N GLU A 49 -4.759 6.018 2.388 1.00 0.00 N ATOM 722 CA GLU A 49 -6.192 6.268 2.750 1.00 0.00 C ATOM 723 C GLU A 49 -7.048 5.064 2.360 1.00 0.00 C ATOM 724 O GLU A 49 -7.994 4.723 3.041 1.00 0.00 O ATOM 725 CB GLU A 49 -6.717 7.524 2.043 1.00 0.00 C ATOM 726 CG GLU A 49 -6.306 7.503 0.575 1.00 0.00 C ATOM 727 CD GLU A 49 -6.839 8.754 -0.125 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.032 8.808 -0.373 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.045 9.637 -0.402 1.00 0.00 O ATOM 0 H GLU A 49 -4.344 6.693 1.746 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.252 6.421 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.803 7.571 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.322 8.417 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.220 7.462 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.697 6.608 0.090 1.00 0.00 H new ATOM 736 N SER A 50 -6.732 4.411 1.278 1.00 0.00 N ATOM 737 CA SER A 50 -7.545 3.231 0.876 1.00 0.00 C ATOM 738 C SER A 50 -7.438 2.159 1.966 1.00 0.00 C ATOM 739 O SER A 50 -8.401 1.499 2.301 1.00 0.00 O ATOM 740 CB SER A 50 -7.017 2.669 -0.445 1.00 0.00 C ATOM 741 OG SER A 50 -5.799 1.976 -0.207 1.00 0.00 O ATOM 0 H SER A 50 -5.954 4.640 0.660 1.00 0.00 H new ATOM 0 HA SER A 50 -8.586 3.528 0.749 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.752 1.996 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.856 3.477 -1.159 1.00 0.00 H new ATOM 0 HG SER A 50 -5.048 2.601 -0.280 1.00 0.00 H new ATOM 747 N LEU A 51 -6.268 1.984 2.518 1.00 0.00 N ATOM 748 CA LEU A 51 -6.081 0.958 3.585 1.00 0.00 C ATOM 749 C LEU A 51 -6.798 1.396 4.870 1.00 0.00 C ATOM 750 O LEU A 51 -7.286 0.580 5.624 1.00 0.00 O ATOM 751 CB LEU A 51 -4.586 0.791 3.869 1.00 0.00 C ATOM 752 CG LEU A 51 -3.869 0.262 2.617 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.361 0.206 2.886 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.387 -1.146 2.259 1.00 0.00 C ATOM 0 H LEU A 51 -5.429 2.510 2.275 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.502 0.011 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.155 1.747 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.440 0.101 4.700 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.069 0.930 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.847 -0.169 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.996 1.206 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.166 -0.459 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.871 -1.509 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.199 -1.825 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.458 -1.101 2.063 1.00 0.00 H new ATOM 766 N ILE A 52 -6.857 2.675 5.130 1.00 0.00 N ATOM 767 CA ILE A 52 -7.534 3.158 6.373 1.00 0.00 C ATOM 768 C ILE A 52 -8.978 2.646 6.409 1.00 0.00 C ATOM 769 O ILE A 52 -9.589 2.574 7.456 1.00 0.00 O ATOM 770 CB ILE A 52 -7.520 4.696 6.405 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.079 5.214 6.564 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.377 5.216 7.561 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.418 4.664 7.841 1.00 0.00 C ATOM 0 H ILE A 52 -6.466 3.407 4.537 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.002 2.778 7.245 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.932 5.059 5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.489 4.924 5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.085 6.303 6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.355 6.306 7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.404 4.874 7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.983 4.839 8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.402 5.051 7.920 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.994 4.976 8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.389 3.575 7.796 1.00 0.00 H new ATOM 785 N ASN A 53 -9.529 2.285 5.281 1.00 0.00 N ATOM 786 CA ASN A 53 -10.932 1.774 5.272 1.00 0.00 C ATOM 787 C ASN A 53 -10.930 0.290 5.643 1.00 0.00 C ATOM 788 O ASN A 53 -11.963 -0.303 5.883 1.00 0.00 O ATOM 789 CB ASN A 53 -11.533 1.942 3.875 1.00 0.00 C ATOM 790 CG ASN A 53 -11.790 3.423 3.601 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.523 3.909 2.520 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.304 4.165 4.542 1.00 0.00 N ATOM 0 H ASN A 53 -9.072 2.321 4.370 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.526 2.336 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.854 1.536 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.464 1.381 3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.482 5.155 4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.528 3.756 5.449 1.00 0.00 H new ATOM 799 N VAL A 54 -9.772 -0.313 5.694 1.00 0.00 N ATOM 800 CA VAL A 54 -9.689 -1.760 6.051 1.00 0.00 C ATOM 801 C VAL A 54 -9.539 -1.898 7.569 1.00 0.00 C ATOM 802 O VAL A 54 -8.619 -1.369 8.162 1.00 0.00 O ATOM 803 CB VAL A 54 -8.479 -2.379 5.348 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.440 -3.882 5.623 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.597 -2.138 3.841 1.00 0.00 C ATOM 0 H VAL A 54 -8.876 0.136 5.503 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.595 -2.276 5.733 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.564 -1.921 5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.578 -4.321 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.362 -4.054 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.353 -4.344 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.738 -2.577 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.512 -2.599 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.626 -1.066 3.645 1.00 0.00 H new ATOM 815 N SER A 55 -10.449 -2.599 8.202 1.00 0.00 N ATOM 816 CA SER A 55 -10.390 -2.777 9.691 1.00 0.00 C ATOM 817 C SER A 55 -10.501 -4.264 10.035 1.00 0.00 C ATOM 818 O SER A 55 -11.121 -5.032 9.327 1.00 0.00 O ATOM 819 CB SER A 55 -11.556 -2.027 10.336 1.00 0.00 C ATOM 820 OG SER A 55 -11.459 -0.645 10.017 1.00 0.00 O ATOM 0 H SER A 55 -11.238 -3.060 7.748 1.00 0.00 H new ATOM 0 HA SER A 55 -9.444 -2.385 10.065 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.504 -2.429 9.979 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.539 -2.165 11.417 1.00 0.00 H new ATOM 0 HG SER A 55 -12.206 -0.161 10.427 1.00 0.00 H new ATOM 826 N GLY A 56 -9.904 -4.675 11.123 1.00 0.00 N ATOM 827 CA GLY A 56 -9.973 -6.112 11.522 1.00 0.00 C ATOM 828 C GLY A 56 -8.827 -6.884 10.868 1.00 0.00 C ATOM 829 O GLY A 56 -8.914 -8.077 10.655 1.00 0.00 O ATOM 0 H GLY A 56 -9.371 -4.076 11.754 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.912 -6.202 12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.930 -6.538 11.220 1.00 0.00 H new ATOM 833 N CYS A 57 -7.751 -6.215 10.546 1.00 0.00 N ATOM 834 CA CYS A 57 -6.596 -6.913 9.904 1.00 0.00 C ATOM 835 C CYS A 57 -5.283 -6.291 10.387 1.00 0.00 C ATOM 836 O CYS A 57 -4.799 -5.325 9.835 1.00 0.00 O ATOM 837 CB CYS A 57 -6.700 -6.776 8.386 1.00 0.00 C ATOM 838 SG CYS A 57 -8.082 -7.776 7.785 1.00 0.00 S ATOM 0 H CYS A 57 -7.621 -5.215 10.700 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.614 -7.968 10.176 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.848 -5.731 8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.771 -7.100 7.916 1.00 0.00 H new ATOM 843 N SER A 58 -4.705 -6.842 11.416 1.00 0.00 N ATOM 844 CA SER A 58 -3.419 -6.299 11.942 1.00 0.00 C ATOM 845 C SER A 58 -2.289 -6.592 10.949 1.00 0.00 C ATOM 846 O SER A 58 -1.394 -5.795 10.751 1.00 0.00 O ATOM 847 CB SER A 58 -3.105 -6.964 13.283 1.00 0.00 C ATOM 848 OG SER A 58 -1.872 -6.464 13.780 1.00 0.00 O ATOM 0 H SER A 58 -5.069 -7.651 11.920 1.00 0.00 H new ATOM 0 HA SER A 58 -3.507 -5.221 12.077 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.905 -6.765 13.996 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.049 -8.046 13.161 1.00 0.00 H new ATOM 0 HG SER A 58 -1.670 -6.888 14.640 1.00 0.00 H new ATOM 854 N ALA A 59 -2.318 -7.746 10.347 1.00 0.00 N ATOM 855 CA ALA A 59 -1.246 -8.139 9.384 1.00 0.00 C ATOM 856 C ALA A 59 -0.908 -6.996 8.413 1.00 0.00 C ATOM 857 O ALA A 59 0.074 -7.068 7.701 1.00 0.00 O ATOM 858 CB ALA A 59 -1.724 -9.352 8.585 1.00 0.00 C ATOM 0 H ALA A 59 -3.048 -8.446 10.481 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.345 -8.376 9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.950 -9.650 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.930 -10.178 9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.633 -9.094 8.041 1.00 0.00 H new ATOM 864 N ILE A 60 -1.703 -5.949 8.367 1.00 0.00 N ATOM 865 CA ILE A 60 -1.412 -4.810 7.425 1.00 0.00 C ATOM 866 C ILE A 60 -1.251 -3.500 8.199 1.00 0.00 C ATOM 867 O ILE A 60 -0.899 -2.483 7.633 1.00 0.00 O ATOM 868 CB ILE A 60 -2.566 -4.670 6.427 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.892 -4.545 7.183 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.613 -5.905 5.526 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.999 -4.133 6.212 1.00 0.00 C ATOM 0 H ILE A 60 -2.539 -5.832 8.939 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.483 -5.021 6.895 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.410 -3.778 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.144 -5.494 7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.800 -3.807 7.980 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.434 -5.806 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.672 -5.995 4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.767 -6.795 6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.942 -4.045 6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.748 -3.173 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.097 -4.887 5.431 1.00 0.00 H new ATOM 883 N GLU A 61 -1.503 -3.500 9.479 1.00 0.00 N ATOM 884 CA GLU A 61 -1.355 -2.230 10.245 1.00 0.00 C ATOM 885 C GLU A 61 0.092 -1.749 10.129 1.00 0.00 C ATOM 886 O GLU A 61 0.358 -0.574 9.970 1.00 0.00 O ATOM 887 CB GLU A 61 -1.730 -2.465 11.720 1.00 0.00 C ATOM 888 CG GLU A 61 -0.604 -3.200 12.461 1.00 0.00 C ATOM 889 CD GLU A 61 -1.101 -3.620 13.845 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.135 -3.119 14.257 1.00 0.00 O ATOM 891 OE2 GLU A 61 -0.442 -4.436 14.467 1.00 0.00 O ATOM 0 H GLU A 61 -1.801 -4.311 10.021 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.021 -1.468 9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.927 -1.509 12.206 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.649 -3.048 11.777 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.290 -4.076 11.893 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.268 -2.553 12.556 1.00 0.00 H new ATOM 898 N LYS A 62 1.027 -2.656 10.194 1.00 0.00 N ATOM 899 CA LYS A 62 2.457 -2.264 10.073 1.00 0.00 C ATOM 900 C LYS A 62 2.678 -1.644 8.696 1.00 0.00 C ATOM 901 O LYS A 62 3.394 -0.674 8.543 1.00 0.00 O ATOM 902 CB LYS A 62 3.340 -3.502 10.222 1.00 0.00 C ATOM 903 CG LYS A 62 3.285 -3.992 11.669 1.00 0.00 C ATOM 904 CD LYS A 62 4.166 -5.232 11.827 1.00 0.00 C ATOM 905 CE LYS A 62 4.107 -5.717 13.276 1.00 0.00 C ATOM 906 NZ LYS A 62 2.708 -6.111 13.609 1.00 0.00 N ATOM 0 H LYS A 62 0.861 -3.654 10.326 1.00 0.00 H new ATOM 0 HA LYS A 62 2.714 -1.546 10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.001 -4.288 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.367 -3.265 9.945 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.624 -3.205 12.343 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.257 -4.227 11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.827 -6.020 11.154 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.194 -4.998 11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.778 -6.564 13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.445 -4.929 13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.716 -7.010 14.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.270 -5.373 14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.161 -6.226 12.732 1.00 0.00 H new ATOM 920 N THR A 63 2.064 -2.205 7.690 1.00 0.00 N ATOM 921 CA THR A 63 2.231 -1.663 6.317 1.00 0.00 C ATOM 922 C THR A 63 1.747 -0.213 6.280 1.00 0.00 C ATOM 923 O THR A 63 2.354 0.635 5.659 1.00 0.00 O ATOM 924 CB THR A 63 1.411 -2.508 5.337 1.00 0.00 C ATOM 925 OG1 THR A 63 1.869 -3.853 5.381 1.00 0.00 O ATOM 926 CG2 THR A 63 1.575 -1.961 3.919 1.00 0.00 C ATOM 0 H THR A 63 1.452 -3.018 7.763 1.00 0.00 H new ATOM 0 HA THR A 63 3.283 -1.698 6.033 1.00 0.00 H new ATOM 0 HB THR A 63 0.358 -2.468 5.617 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.346 -4.397 4.756 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.990 -2.565 3.226 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.226 -0.929 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.626 -1.998 3.634 1.00 0.00 H new ATOM 934 N GLN A 64 0.664 0.084 6.943 1.00 0.00 N ATOM 935 CA GLN A 64 0.155 1.485 6.939 1.00 0.00 C ATOM 936 C GLN A 64 1.214 2.421 7.526 1.00 0.00 C ATOM 937 O GLN A 64 1.437 3.509 7.034 1.00 0.00 O ATOM 938 CB GLN A 64 -1.117 1.572 7.786 1.00 0.00 C ATOM 939 CG GLN A 64 -2.263 0.847 7.077 1.00 0.00 C ATOM 940 CD GLN A 64 -3.465 0.760 8.019 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.333 0.960 9.210 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.640 0.465 7.535 1.00 0.00 N ATOM 0 H GLN A 64 0.111 -0.579 7.486 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.066 1.781 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.944 1.127 8.766 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.383 2.616 7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.538 1.380 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.947 -0.153 6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.752 0.297 6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.446 0.403 8.156 1.00 0.00 H new ATOM 951 N ARG A 65 1.862 2.010 8.581 1.00 0.00 N ATOM 952 CA ARG A 65 2.898 2.879 9.208 1.00 0.00 C ATOM 953 C ARG A 65 4.073 3.082 8.242 1.00 0.00 C ATOM 954 O ARG A 65 4.560 4.181 8.070 1.00 0.00 O ATOM 955 CB ARG A 65 3.393 2.214 10.495 1.00 0.00 C ATOM 956 CG ARG A 65 2.283 2.259 11.549 1.00 0.00 C ATOM 957 CD ARG A 65 2.769 1.591 12.838 1.00 0.00 C ATOM 958 NE ARG A 65 3.942 2.337 13.376 1.00 0.00 N ATOM 959 CZ ARG A 65 4.358 2.112 14.593 1.00 0.00 C ATOM 960 NH1 ARG A 65 3.757 1.224 15.337 1.00 0.00 N ATOM 961 NH2 ARG A 65 5.378 2.775 15.066 1.00 0.00 N ATOM 0 H ARG A 65 1.719 1.109 9.037 1.00 0.00 H new ATOM 0 HA ARG A 65 2.465 3.852 9.438 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.680 1.181 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.281 2.727 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.999 3.292 11.748 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.394 1.750 11.177 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.967 1.574 13.576 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.043 0.555 12.641 1.00 0.00 H new ATOM 0 HE ARG A 65 4.420 3.024 12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.961 0.704 14.968 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.084 1.050 16.287 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.849 3.468 14.485 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.704 2.600 16.017 1.00 0.00 H new ATOM 975 N MET A 66 4.535 2.035 7.612 1.00 0.00 N ATOM 976 CA MET A 66 5.680 2.179 6.664 1.00 0.00 C ATOM 977 C MET A 66 5.274 3.046 5.464 1.00 0.00 C ATOM 978 O MET A 66 6.040 3.863 4.994 1.00 0.00 O ATOM 979 CB MET A 66 6.143 0.798 6.192 1.00 0.00 C ATOM 980 CG MET A 66 6.818 0.070 7.361 1.00 0.00 C ATOM 981 SD MET A 66 7.480 -1.523 6.802 1.00 0.00 S ATOM 982 CE MET A 66 5.906 -2.374 6.539 1.00 0.00 C ATOM 0 H MET A 66 4.170 1.088 7.712 1.00 0.00 H new ATOM 0 HA MET A 66 6.505 2.670 7.180 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.293 0.220 5.829 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.839 0.899 5.359 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.621 0.684 7.767 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.099 -0.088 8.165 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.082 -3.446 6.449 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.244 -2.185 7.384 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.441 -2.005 5.625 1.00 0.00 H new ATOM 992 N LEU A 67 4.079 2.881 4.966 1.00 0.00 N ATOM 993 CA LEU A 67 3.636 3.703 3.799 1.00 0.00 C ATOM 994 C LEU A 67 3.677 5.185 4.172 1.00 0.00 C ATOM 995 O LEU A 67 4.066 6.023 3.384 1.00 0.00 O ATOM 996 CB LEU A 67 2.205 3.323 3.415 1.00 0.00 C ATOM 997 CG LEU A 67 2.171 1.915 2.799 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.714 1.450 2.700 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.799 1.929 1.389 1.00 0.00 C ATOM 0 H LEU A 67 3.390 2.214 5.314 1.00 0.00 H new ATOM 0 HA LEU A 67 4.302 3.517 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.564 3.357 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.808 4.048 2.704 1.00 0.00 H new ATOM 0 HG LEU A 67 2.742 1.235 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.680 0.452 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.271 1.427 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.154 2.141 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.767 0.925 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.239 2.610 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.835 2.262 1.455 1.00 0.00 H new ATOM 1011 N SER A 68 3.279 5.516 5.367 1.00 0.00 N ATOM 1012 CA SER A 68 3.294 6.944 5.785 1.00 0.00 C ATOM 1013 C SER A 68 4.724 7.479 5.692 1.00 0.00 C ATOM 1014 O SER A 68 4.952 8.600 5.281 1.00 0.00 O ATOM 1015 CB SER A 68 2.798 7.061 7.226 1.00 0.00 C ATOM 1016 OG SER A 68 1.416 6.731 7.274 1.00 0.00 O ATOM 0 H SER A 68 2.944 4.860 6.072 1.00 0.00 H new ATOM 0 HA SER A 68 2.642 7.524 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.366 6.393 7.874 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.955 8.074 7.596 1.00 0.00 H new ATOM 0 HG SER A 68 1.309 5.759 7.206 1.00 0.00 H new ATOM 1022 N GLY A 69 5.688 6.689 6.074 1.00 0.00 N ATOM 1023 CA GLY A 69 7.103 7.155 6.010 1.00 0.00 C ATOM 1024 C GLY A 69 7.381 7.771 4.635 1.00 0.00 C ATOM 1025 O GLY A 69 8.256 8.599 4.483 1.00 0.00 O ATOM 0 H GLY A 69 5.558 5.741 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.290 7.890 6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.780 6.319 6.189 1.00 0.00 H new ATOM 1029 N PHE A 70 6.640 7.377 3.631 1.00 0.00 N ATOM 1030 CA PHE A 70 6.859 7.945 2.265 1.00 0.00 C ATOM 1031 C PHE A 70 5.906 9.119 2.047 1.00 0.00 C ATOM 1032 O PHE A 70 6.118 9.954 1.190 1.00 0.00 O ATOM 1033 CB PHE A 70 6.566 6.871 1.216 1.00 0.00 C ATOM 1034 CG PHE A 70 7.659 5.832 1.229 1.00 0.00 C ATOM 1035 CD1 PHE A 70 7.563 4.721 2.074 1.00 0.00 C ATOM 1036 CD2 PHE A 70 8.769 5.982 0.391 1.00 0.00 C ATOM 1037 CE1 PHE A 70 8.579 3.759 2.081 1.00 0.00 C ATOM 1038 CE2 PHE A 70 9.784 5.022 0.396 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.690 3.908 1.242 1.00 0.00 C ATOM 0 H PHE A 70 5.892 6.686 3.697 1.00 0.00 H new ATOM 0 HA PHE A 70 7.892 8.282 2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.604 6.402 1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.495 7.325 0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.705 4.606 2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.841 6.840 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.506 2.902 2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.641 5.138 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.474 3.165 1.247 1.00 0.00 H new ATOM 1049 N CYS A 71 4.854 9.190 2.821 1.00 0.00 N ATOM 1050 CA CYS A 71 3.875 10.308 2.673 1.00 0.00 C ATOM 1051 C CYS A 71 3.376 10.739 4.067 1.00 0.00 C ATOM 1052 O CYS A 71 2.469 10.129 4.594 1.00 0.00 O ATOM 1053 CB CYS A 71 2.677 9.837 1.846 1.00 0.00 C ATOM 1054 SG CYS A 71 1.698 11.283 1.361 1.00 0.00 S ATOM 0 H CYS A 71 4.630 8.517 3.554 1.00 0.00 H new ATOM 0 HA CYS A 71 4.362 11.146 2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.017 9.298 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.066 9.145 2.426 1.00 0.00 H new ATOM 1059 N PRO A 72 3.952 11.769 4.668 1.00 0.00 N ATOM 1060 CA PRO A 72 3.506 12.249 6.022 1.00 0.00 C ATOM 1061 C PRO A 72 2.012 12.612 6.073 1.00 0.00 C ATOM 1062 O PRO A 72 1.628 13.588 6.687 1.00 0.00 O ATOM 1063 CB PRO A 72 4.372 13.504 6.217 1.00 0.00 C ATOM 1064 CG PRO A 72 5.540 13.420 5.230 1.00 0.00 C ATOM 1065 CD PRO A 72 5.091 12.528 4.066 1.00 0.00 C ATOM 0 HA PRO A 72 3.622 11.486 6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.785 14.405 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.740 13.560 7.242 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.812 14.413 4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.423 13.004 5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.778 13.114 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.889 11.866 3.730 1.00 0.00 H new ATOM 1073 N HIS A 73 1.178 11.871 5.405 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.272 12.210 5.383 1.00 0.00 C ATOM 1075 C HIS A 73 -1.029 11.525 6.528 1.00 0.00 C ATOM 1076 O HIS A 73 -1.275 10.335 6.499 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.855 11.742 4.028 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.660 12.842 3.405 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.024 12.967 3.600 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.292 13.883 2.604 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.430 14.055 2.929 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.412 14.656 2.299 1.00 0.00 N ATOM 0 H HIS A 73 1.437 11.042 4.871 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.386 13.287 5.509 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.047 11.448 3.358 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.481 10.862 4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.287 14.079 2.259 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.452 14.404 2.900 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.448 15.496 1.722 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.451 12.281 7.505 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.251 11.684 8.607 1.00 0.00 C ATOM 1092 C LYS A 74 -3.695 11.585 8.119 1.00 0.00 C ATOM 1093 O LYS A 74 -4.458 12.525 8.222 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.195 12.578 9.847 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.797 12.532 10.460 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.765 13.432 11.695 1.00 0.00 C ATOM 1097 CE LYS A 74 0.625 13.394 12.327 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.629 14.234 13.557 1.00 0.00 N ATOM 0 H LYS A 74 -1.276 13.283 7.586 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.856 10.703 8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.450 13.603 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.933 12.247 10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.539 11.509 10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.056 12.864 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.021 14.455 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.512 13.101 12.417 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.898 12.368 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.369 13.761 11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.574 14.211 13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.386 15.214 13.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.071 13.864 14.232 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.071 10.466 7.565 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.460 10.316 7.042 1.00 0.00 C ATOM 1114 C VAL A 75 -6.341 9.640 8.095 1.00 0.00 C ATOM 1115 O VAL A 75 -6.037 8.572 8.588 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.418 9.459 5.772 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.977 10.323 4.587 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.420 8.306 5.957 1.00 0.00 C ATOM 0 H VAL A 75 -3.475 9.646 7.451 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.877 11.297 6.813 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.411 9.052 5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.947 9.714 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.684 11.141 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.985 10.730 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.393 7.699 5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.427 8.712 6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.730 7.688 6.799 1.00 0.00 H new ATOM 1128 N SER A 76 -7.439 10.260 8.437 1.00 0.00 N ATOM 1129 CA SER A 76 -8.360 9.667 9.451 1.00 0.00 C ATOM 1130 C SER A 76 -9.489 8.932 8.729 1.00 0.00 C ATOM 1131 O SER A 76 -9.707 9.118 7.548 1.00 0.00 O ATOM 1132 CB SER A 76 -8.950 10.782 10.315 1.00 0.00 C ATOM 1133 OG SER A 76 -9.672 11.685 9.487 1.00 0.00 O ATOM 0 H SER A 76 -7.739 11.157 8.055 1.00 0.00 H new ATOM 0 HA SER A 76 -7.812 8.970 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.609 10.360 11.074 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.155 11.310 10.841 1.00 0.00 H new ATOM 0 HG SER A 76 -10.302 12.198 10.034 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.209 8.101 9.426 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.323 7.358 8.776 1.00 0.00 C ATOM 1141 C ALA A 77 -12.344 8.355 8.224 1.00 0.00 C ATOM 1142 O ALA A 77 -13.185 8.010 7.420 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.004 6.456 9.809 1.00 0.00 C ATOM 0 H ALA A 77 -10.075 7.904 10.418 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.929 6.749 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.820 5.911 9.335 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.278 5.747 10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.399 7.067 10.621 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.283 9.589 8.656 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.255 10.614 8.164 1.00 0.00 C ATOM 1151 C GLY A 78 -12.622 11.453 7.050 1.00 0.00 C ATOM 1152 O GLY A 78 -13.301 11.929 6.162 1.00 0.00 O ATOM 0 H GLY A 78 -11.600 9.933 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.155 10.124 7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.560 11.260 8.987 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.329 11.650 7.089 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.669 12.474 6.030 1.00 0.00 C ATOM 1158 C GLN A 79 -10.255 11.586 4.856 1.00 0.00 C ATOM 1159 O GLN A 79 -9.506 10.642 5.008 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.423 13.154 6.609 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.831 14.185 7.666 1.00 0.00 C ATOM 1162 CD GLN A 79 -10.637 15.307 7.009 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -10.183 15.926 6.067 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -11.826 15.590 7.464 1.00 0.00 N ATOM 0 H GLN A 79 -10.704 11.278 7.804 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.373 13.229 5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.764 12.407 7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.861 13.641 5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.424 13.706 8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.944 14.596 8.148 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.207 15.070 8.255 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.375 16.331 7.029 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.735 11.901 3.679 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.383 11.108 2.461 1.00 0.00 C ATOM 1175 C PHE A 80 -9.917 12.071 1.369 1.00 0.00 C ATOM 1176 O PHE A 80 -10.402 13.181 1.276 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.614 10.356 1.972 1.00 0.00 C ATOM 1178 CG PHE A 80 -11.996 9.294 2.974 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.281 8.091 3.023 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.067 9.509 3.850 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.637 7.104 3.948 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.424 8.521 4.774 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.709 7.318 4.824 1.00 0.00 C ATOM 0 H PHE A 80 -11.365 12.685 3.508 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.593 10.395 2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.443 11.050 1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.411 9.899 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.455 7.925 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.617 10.437 3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.085 6.176 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.251 8.686 5.449 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.984 6.555 5.538 1.00 0.00 H new ATOM 1193 N SER A 81 -8.971 11.667 0.551 1.00 0.00 N ATOM 1194 CA SER A 81 -8.462 12.577 -0.530 1.00 0.00 C ATOM 1195 C SER A 81 -8.636 11.950 -1.923 1.00 0.00 C ATOM 1196 O SER A 81 -8.994 12.629 -2.865 1.00 0.00 O ATOM 1197 CB SER A 81 -6.975 12.845 -0.287 1.00 0.00 C ATOM 1198 OG SER A 81 -6.778 13.207 1.074 1.00 0.00 O ATOM 0 H SER A 81 -8.530 10.748 0.585 1.00 0.00 H new ATOM 0 HA SER A 81 -9.036 13.503 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.390 11.957 -0.527 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.626 13.644 -0.942 1.00 0.00 H new ATOM 0 HG SER A 81 -5.826 13.378 1.233 1.00 0.00 H new ATOM 1204 N SER A 82 -8.348 10.679 -2.079 1.00 0.00 N ATOM 1205 CA SER A 82 -8.457 10.041 -3.438 1.00 0.00 C ATOM 1206 C SER A 82 -9.779 9.278 -3.626 1.00 0.00 C ATOM 1207 O SER A 82 -10.024 8.723 -4.678 1.00 0.00 O ATOM 1208 CB SER A 82 -7.293 9.069 -3.622 1.00 0.00 C ATOM 1209 OG SER A 82 -7.359 8.498 -4.922 1.00 0.00 O ATOM 0 H SER A 82 -8.044 10.056 -1.331 1.00 0.00 H new ATOM 0 HA SER A 82 -8.429 10.838 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.345 9.590 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.335 8.285 -2.865 1.00 0.00 H new ATOM 0 HG SER A 82 -8.296 8.432 -5.203 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.634 9.236 -2.642 1.00 0.00 N ATOM 1216 CA LEU A 83 -11.927 8.495 -2.818 1.00 0.00 C ATOM 1217 C LEU A 83 -12.964 9.433 -3.447 1.00 0.00 C ATOM 1218 O LEU A 83 -14.155 9.246 -3.294 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.438 8.004 -1.455 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.701 6.724 -1.039 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.239 7.044 -0.726 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.369 6.145 0.211 1.00 0.00 C ATOM 0 H LEU A 83 -10.501 9.676 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.766 7.635 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.289 8.778 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.510 7.814 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.744 6.001 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.722 6.131 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.761 7.463 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.191 7.767 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.850 5.235 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.322 6.874 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.411 5.913 -0.008 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.524 10.443 -4.151 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.491 11.388 -4.782 1.00 0.00 C ATOM 1236 C HIS A 84 -14.128 10.727 -6.005 1.00 0.00 C ATOM 1237 O HIS A 84 -15.288 10.935 -6.301 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.762 12.659 -5.222 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.020 13.243 -4.054 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.185 12.768 -2.763 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.098 14.256 -3.968 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.378 13.487 -1.963 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.693 14.408 -2.646 1.00 0.00 N ATOM 0 H HIS A 84 -11.540 10.654 -4.316 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.264 11.644 -4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.067 12.431 -6.030 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.477 13.384 -5.611 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.741 14.845 -4.800 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.294 13.338 -0.897 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.018 15.078 -2.278 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.381 9.931 -6.718 1.00 0.00 N ATOM 1252 CA VAL A 85 -13.949 9.259 -7.919 1.00 0.00 C ATOM 1253 C VAL A 85 -14.868 8.125 -7.466 1.00 0.00 C ATOM 1254 O VAL A 85 -14.594 7.440 -6.501 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.815 8.684 -8.775 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -11.889 9.812 -9.237 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.013 7.678 -7.947 1.00 0.00 C ATOM 0 H VAL A 85 -12.403 9.717 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.513 9.981 -8.510 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.240 8.187 -9.647 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.085 9.397 -9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.457 10.530 -9.828 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.464 10.313 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.206 7.268 -8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.592 8.178 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.668 6.870 -7.621 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.961 7.921 -8.152 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.900 6.832 -7.754 1.00 0.00 C ATOM 1269 C ARG A 86 -16.489 5.548 -8.473 1.00 0.00 C ATOM 1270 O ARG A 86 -17.241 4.984 -9.242 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.330 7.204 -8.172 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.717 8.580 -7.601 1.00 0.00 C ATOM 1273 CD ARG A 86 -19.030 8.479 -6.101 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.014 7.372 -5.846 1.00 0.00 N ATOM 1275 CZ ARG A 86 -21.181 7.338 -6.435 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -21.609 8.363 -7.119 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -21.950 6.293 -6.288 1.00 0.00 N ATOM 0 H ARG A 86 -16.244 8.461 -8.970 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.865 6.691 -6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.405 7.221 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.028 6.446 -7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -17.903 9.287 -7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -19.585 8.968 -8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -18.112 8.294 -5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -19.436 9.425 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.765 6.627 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -21.032 9.200 -7.198 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -22.521 8.327 -7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.640 5.508 -5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -22.861 6.262 -6.745 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.294 5.082 -8.222 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.820 3.833 -8.882 1.00 0.00 C ATOM 1293 C ASP A 87 -15.372 2.629 -8.121 1.00 0.00 C ATOM 1294 O ASP A 87 -16.015 2.771 -7.100 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.288 3.786 -8.867 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.730 4.846 -9.820 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.432 5.209 -10.748 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.609 5.277 -9.603 1.00 0.00 O ATOM 0 H ASP A 87 -14.625 5.515 -7.586 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.168 3.812 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.919 3.961 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.942 2.796 -9.165 1.00 0.00 H new ATOM 1303 N THR A 88 -15.133 1.443 -8.610 1.00 0.00 N ATOM 1304 CA THR A 88 -15.649 0.228 -7.915 1.00 0.00 C ATOM 1305 C THR A 88 -14.595 -0.272 -6.923 1.00 0.00 C ATOM 1306 O THR A 88 -13.429 0.051 -7.028 1.00 0.00 O ATOM 1307 CB THR A 88 -15.926 -0.864 -8.953 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.694 -1.341 -9.476 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.775 -0.289 -10.089 1.00 0.00 C ATOM 0 H THR A 88 -14.602 1.262 -9.462 1.00 0.00 H new ATOM 0 HA THR A 88 -16.568 0.470 -7.381 1.00 0.00 H new ATOM 0 HB THR A 88 -16.464 -1.686 -8.481 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.869 -2.041 -10.139 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.971 -1.067 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.720 0.077 -9.688 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.239 0.533 -10.563 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.997 -1.056 -5.959 1.00 0.00 N ATOM 1318 CA LYS A 89 -14.018 -1.574 -4.959 1.00 0.00 C ATOM 1319 C LYS A 89 -13.364 -2.846 -5.499 1.00 0.00 C ATOM 1320 O LYS A 89 -13.905 -3.518 -6.355 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.739 -1.915 -3.655 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.260 -0.643 -2.984 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.974 -1.025 -1.685 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.505 0.230 -0.994 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.366 -0.171 0.155 1.00 0.00 N ATOM 0 H LYS A 89 -15.961 -1.360 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.263 -0.810 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.568 -2.593 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.059 -2.436 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.435 0.038 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.945 -0.119 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.796 -1.708 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.286 -1.552 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.676 0.846 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.076 0.834 -1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.730 0.680 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.163 -0.743 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.806 -0.730 0.830 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.200 -3.182 -4.999 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.490 -4.414 -5.466 1.00 0.00 C ATOM 1341 C ILE A 90 -10.993 -5.207 -4.249 1.00 0.00 C ATOM 1342 O ILE A 90 -10.869 -4.677 -3.163 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.314 -4.001 -6.360 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.361 -3.077 -5.586 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.858 -3.258 -7.583 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.099 -2.824 -6.416 1.00 0.00 C ATOM 0 H ILE A 90 -11.707 -2.651 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.167 -5.047 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.768 -4.891 -6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.857 -2.132 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.095 -3.531 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.030 -2.960 -8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.530 -3.913 -8.138 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.402 -2.371 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.426 -2.168 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.599 -3.772 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.373 -2.352 -7.359 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.714 -6.472 -4.420 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.234 -7.292 -3.269 1.00 0.00 C ATOM 1360 C GLU A 91 -8.850 -6.808 -2.830 1.00 0.00 C ATOM 1361 O GLU A 91 -8.047 -6.376 -3.633 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.148 -8.763 -3.684 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.549 -9.296 -4.013 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.969 -8.843 -5.416 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -11.128 -8.321 -6.130 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -13.126 -9.030 -5.754 1.00 0.00 O ATOM 0 H GLU A 91 -10.797 -6.972 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.935 -7.188 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.497 -8.868 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.705 -9.351 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.555 -10.385 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.266 -8.935 -3.276 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.567 -6.878 -1.557 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.238 -6.423 -1.059 1.00 0.00 C ATOM 1375 C VAL A 92 -6.125 -7.224 -1.746 1.00 0.00 C ATOM 1376 O VAL A 92 -5.100 -6.686 -2.115 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.171 -6.632 0.461 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.732 -6.437 0.954 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.084 -5.612 1.153 1.00 0.00 C ATOM 0 H VAL A 92 -9.200 -7.231 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.104 -5.366 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.498 -7.645 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.694 -6.587 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.079 -7.159 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.400 -5.427 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.039 -5.757 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.753 -4.603 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.110 -5.750 0.811 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.314 -8.502 -1.918 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.263 -9.330 -2.578 1.00 0.00 C ATOM 1391 C ALA A 93 -4.868 -8.691 -3.912 1.00 0.00 C ATOM 1392 O ALA A 93 -3.709 -8.665 -4.282 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.806 -10.737 -2.826 1.00 0.00 C ATOM 0 H ALA A 93 -7.150 -9.010 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.387 -9.387 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.039 -11.343 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.084 -11.192 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.683 -10.680 -3.471 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.823 -8.180 -4.639 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.509 -7.545 -5.950 1.00 0.00 C ATOM 1401 C GLN A 94 -4.866 -6.184 -5.698 1.00 0.00 C ATOM 1402 O GLN A 94 -3.965 -5.764 -6.397 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.806 -7.338 -6.736 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.467 -8.687 -7.015 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.844 -8.457 -7.638 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -9.272 -7.331 -7.796 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -9.566 -9.484 -7.994 1.00 0.00 N ATOM 0 H GLN A 94 -6.810 -8.175 -4.381 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.831 -8.185 -6.516 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.486 -6.700 -6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.595 -6.826 -7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.845 -9.277 -7.688 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.564 -9.255 -6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.208 -10.430 -7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.489 -9.341 -8.405 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.338 -5.494 -4.702 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.787 -4.151 -4.381 1.00 0.00 C ATOM 1418 C PHE A 95 -3.296 -4.262 -4.057 1.00 0.00 C ATOM 1419 O PHE A 95 -2.486 -3.505 -4.552 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.525 -3.609 -3.159 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.996 -2.246 -2.800 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.877 -2.129 -1.969 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.629 -1.099 -3.291 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.388 -0.865 -1.629 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.142 0.166 -2.950 1.00 0.00 C ATOM 1426 CZ PHE A 95 -4.022 0.283 -2.119 1.00 0.00 C ATOM 0 H PHE A 95 -6.091 -5.807 -4.089 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.916 -3.485 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.594 -3.550 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.400 -4.290 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.391 -3.016 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.493 -1.191 -3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.523 -0.774 -0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.630 1.053 -3.328 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.646 1.261 -1.855 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.931 -5.189 -3.217 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.495 -5.332 -2.848 1.00 0.00 C ATOM 1438 C VAL A 96 -0.664 -5.712 -4.079 1.00 0.00 C ATOM 1439 O VAL A 96 0.382 -5.145 -4.326 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.346 -6.425 -1.786 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.129 -6.567 -1.405 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.160 -6.051 -0.546 1.00 0.00 C ATOM 0 H VAL A 96 -3.563 -5.853 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.138 -4.380 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.712 -7.371 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.236 -7.345 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.709 -6.837 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.495 -5.621 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.052 -6.830 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.797 -5.105 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.211 -5.951 -0.817 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.105 -6.676 -4.846 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.310 -7.088 -6.040 1.00 0.00 C ATOM 1454 C LYS A 97 -0.198 -5.925 -7.034 1.00 0.00 C ATOM 1455 O LYS A 97 0.856 -5.673 -7.585 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.982 -8.285 -6.715 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.831 -9.516 -5.817 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.497 -10.726 -6.475 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.357 -11.944 -5.559 1.00 0.00 C ATOM 1460 NZ LYS A 97 -1.842 -13.162 -6.268 1.00 0.00 N ATOM 0 H LYS A 97 -1.973 -7.191 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 97 0.693 -7.369 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.037 -8.074 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.528 -8.472 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.225 -9.722 -5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.284 -9.325 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.550 -10.518 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.035 -10.929 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.315 -12.073 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.930 -11.791 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.746 -13.988 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.842 -13.038 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.277 -13.311 -7.129 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.261 -5.201 -7.265 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.174 -4.058 -8.222 1.00 0.00 C ATOM 1476 C ASP A 98 -0.132 -3.068 -7.710 1.00 0.00 C ATOM 1477 O ASP A 98 0.684 -2.559 -8.452 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.530 -3.350 -8.307 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.536 -4.232 -9.047 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.102 -5.116 -9.767 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.724 -4.008 -8.882 1.00 0.00 O ATOM 0 H ASP A 98 -2.176 -5.348 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.895 -4.428 -9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.897 -3.128 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.420 -2.397 -8.824 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.161 -2.799 -6.439 1.00 0.00 N ATOM 1487 CA LEU A 99 0.813 -1.850 -5.841 1.00 0.00 C ATOM 1488 C LEU A 99 2.232 -2.424 -5.970 1.00 0.00 C ATOM 1489 O LEU A 99 3.180 -1.710 -6.221 1.00 0.00 O ATOM 1490 CB LEU A 99 0.452 -1.640 -4.365 1.00 0.00 C ATOM 1491 CG LEU A 99 1.429 -0.661 -3.702 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.373 0.705 -4.411 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.035 -0.495 -2.229 1.00 0.00 C ATOM 0 H LEU A 99 -0.827 -3.202 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 99 0.777 -0.893 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.565 -1.256 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.474 -2.595 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 99 2.444 -1.051 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.070 1.392 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.646 0.582 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.363 1.108 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.722 0.199 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.019 -0.104 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.083 -1.462 -1.728 1.00 0.00 H new ATOM 1505 N LEU A 100 2.381 -3.710 -5.780 1.00 0.00 N ATOM 1506 CA LEU A 100 3.736 -4.338 -5.865 1.00 0.00 C ATOM 1507 C LEU A 100 4.410 -3.999 -7.198 1.00 0.00 C ATOM 1508 O LEU A 100 5.575 -3.659 -7.234 1.00 0.00 O ATOM 1509 CB LEU A 100 3.591 -5.860 -5.725 1.00 0.00 C ATOM 1510 CG LEU A 100 4.937 -6.559 -5.973 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.025 -5.957 -5.074 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.786 -8.049 -5.654 1.00 0.00 C ATOM 0 H LEU A 100 1.620 -4.355 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 100 4.360 -3.948 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.227 -6.105 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.849 -6.226 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 100 5.226 -6.422 -7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.972 -6.462 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.131 -4.894 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.745 -6.086 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.735 -8.556 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.494 -8.170 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.021 -8.483 -6.297 1.00 0.00 H new ATOM 1524 N LEU A 101 3.708 -4.087 -8.294 1.00 0.00 N ATOM 1525 CA LEU A 101 4.356 -3.767 -9.604 1.00 0.00 C ATOM 1526 C LEU A 101 4.861 -2.317 -9.600 1.00 0.00 C ATOM 1527 O LEU A 101 5.965 -2.037 -10.025 1.00 0.00 O ATOM 1528 CB LEU A 101 3.340 -3.952 -10.748 1.00 0.00 C ATOM 1529 CG LEU A 101 3.230 -5.434 -11.169 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.446 -5.849 -12.013 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.137 -6.338 -9.935 1.00 0.00 C ATOM 0 H LEU A 101 2.727 -4.362 -8.344 1.00 0.00 H new ATOM 0 HA LEU A 101 5.199 -4.441 -9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.362 -3.589 -10.431 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.641 -3.350 -11.605 1.00 0.00 H new ATOM 0 HG LEU A 101 2.325 -5.547 -11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.350 -6.896 -12.300 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.495 -5.231 -12.909 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.357 -5.715 -11.429 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.060 -7.378 -10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.029 -6.210 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.255 -6.070 -9.353 1.00 0.00 H new ATOM 1543 N HIS A 102 4.069 -1.395 -9.136 1.00 0.00 N ATOM 1544 CA HIS A 102 4.512 0.030 -9.122 1.00 0.00 C ATOM 1545 C HIS A 102 5.672 0.232 -8.145 1.00 0.00 C ATOM 1546 O HIS A 102 6.585 0.981 -8.414 1.00 0.00 O ATOM 1547 CB HIS A 102 3.335 0.934 -8.732 1.00 0.00 C ATOM 1548 CG HIS A 102 2.439 1.119 -9.926 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.609 2.167 -10.815 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.388 0.383 -10.407 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.684 2.034 -11.781 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.911 0.962 -11.581 1.00 0.00 N ATOM 0 H HIS A 102 3.134 -1.563 -8.765 1.00 0.00 H new ATOM 0 HA HIS A 102 4.858 0.294 -10.121 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.777 0.490 -7.908 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.702 1.900 -8.384 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.990 -0.509 -9.947 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.578 2.710 -12.616 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.138 0.638 -12.163 1.00 0.00 H new ATOM 1560 N LEU A 103 5.649 -0.400 -7.010 1.00 0.00 N ATOM 1561 CA LEU A 103 6.762 -0.183 -6.044 1.00 0.00 C ATOM 1562 C LEU A 103 8.093 -0.578 -6.694 1.00 0.00 C ATOM 1563 O LEU A 103 9.041 0.179 -6.678 1.00 0.00 O ATOM 1564 CB LEU A 103 6.525 -1.033 -4.792 1.00 0.00 C ATOM 1565 CG LEU A 103 5.286 -0.526 -4.036 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.932 -1.521 -2.924 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.553 0.861 -3.420 1.00 0.00 C ATOM 0 H LEU A 103 4.921 -1.048 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 103 6.799 0.870 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.387 -2.077 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.400 -0.990 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 103 4.457 -0.439 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.054 -1.166 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.719 -2.496 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.771 -1.609 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.663 1.201 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.388 0.795 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.797 1.570 -4.211 1.00 0.00 H new ATOM 1579 N LYS A 104 8.176 -1.740 -7.278 1.00 0.00 N ATOM 1580 CA LYS A 104 9.455 -2.146 -7.933 1.00 0.00 C ATOM 1581 C LYS A 104 9.708 -1.280 -9.173 1.00 0.00 C ATOM 1582 O LYS A 104 10.828 -1.132 -9.620 1.00 0.00 O ATOM 1583 CB LYS A 104 9.392 -3.624 -8.340 1.00 0.00 C ATOM 1584 CG LYS A 104 8.226 -3.861 -9.315 1.00 0.00 C ATOM 1585 CD LYS A 104 8.220 -5.330 -9.779 1.00 0.00 C ATOM 1586 CE LYS A 104 7.507 -6.225 -8.750 1.00 0.00 C ATOM 1587 NZ LYS A 104 8.128 -7.579 -8.767 1.00 0.00 N ATOM 0 H LYS A 104 7.421 -2.424 -7.331 1.00 0.00 H new ATOM 0 HA LYS A 104 10.272 -2.005 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.331 -3.920 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.267 -4.247 -7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.280 -3.620 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.320 -3.199 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.720 -5.409 -10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.244 -5.676 -9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.585 -5.788 -7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.445 -6.296 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.650 -8.189 -8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.032 -7.993 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.136 -7.502 -8.523 1.00 0.00 H new ATOM 1601 N LYS A 105 8.672 -0.731 -9.747 1.00 0.00 N ATOM 1602 CA LYS A 105 8.846 0.097 -10.977 1.00 0.00 C ATOM 1603 C LYS A 105 9.680 1.353 -10.682 1.00 0.00 C ATOM 1604 O LYS A 105 10.628 1.649 -11.381 1.00 0.00 O ATOM 1605 CB LYS A 105 7.464 0.503 -11.494 1.00 0.00 C ATOM 1606 CG LYS A 105 7.602 1.283 -12.802 1.00 0.00 C ATOM 1607 CD LYS A 105 6.209 1.650 -13.320 1.00 0.00 C ATOM 1608 CE LYS A 105 6.340 2.520 -14.571 1.00 0.00 C ATOM 1609 NZ LYS A 105 5.018 3.129 -14.890 1.00 0.00 N ATOM 0 H LYS A 105 7.711 -0.820 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 105 9.375 -0.489 -11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.851 -0.384 -11.653 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.953 1.113 -10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.192 2.185 -12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.132 0.684 -13.542 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.646 0.746 -13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.653 2.184 -12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.083 3.301 -14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.688 1.919 -15.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.105 3.721 -15.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.321 2.376 -15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.704 3.715 -14.091 1.00 0.00 H new ATOM 1623 N LEU A 106 9.343 2.095 -9.662 1.00 0.00 N ATOM 1624 CA LEU A 106 10.130 3.326 -9.348 1.00 0.00 C ATOM 1625 C LEU A 106 11.575 2.930 -9.014 1.00 0.00 C ATOM 1626 O LEU A 106 12.504 3.675 -9.257 1.00 0.00 O ATOM 1627 CB LEU A 106 9.500 4.068 -8.151 1.00 0.00 C ATOM 1628 CG LEU A 106 8.237 4.867 -8.562 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.628 6.212 -9.198 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.376 4.063 -9.548 1.00 0.00 C ATOM 0 H LEU A 106 8.562 1.905 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 106 10.123 3.989 -10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.237 3.348 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.234 4.748 -7.719 1.00 0.00 H new ATOM 0 HG LEU A 106 7.656 5.055 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.727 6.757 -9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.199 6.801 -8.481 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.235 6.032 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.496 4.645 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.958 3.843 -10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.063 3.130 -9.080 1.00 0.00 H new ATOM 1642 N PHE A 107 11.769 1.765 -8.458 1.00 0.00 N ATOM 1643 CA PHE A 107 13.150 1.315 -8.107 1.00 0.00 C ATOM 1644 C PHE A 107 14.008 1.262 -9.370 1.00 0.00 C ATOM 1645 O PHE A 107 15.189 1.549 -9.348 1.00 0.00 O ATOM 1646 CB PHE A 107 13.102 -0.083 -7.489 1.00 0.00 C ATOM 1647 CG PHE A 107 14.506 -0.518 -7.139 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.132 0.000 -5.999 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.184 -1.434 -7.953 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.433 -0.395 -5.673 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.487 -1.831 -7.625 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.111 -1.312 -6.485 1.00 0.00 C ATOM 0 H PHE A 107 11.028 1.102 -8.230 1.00 0.00 H new ATOM 0 HA PHE A 107 13.578 2.019 -7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.476 -0.078 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.653 -0.788 -8.189 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.609 0.706 -5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.703 -1.834 -8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.915 0.007 -4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.010 -2.538 -8.252 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.115 -1.619 -6.232 1.00 0.00 H new ATOM 1662 N ARG A 108 13.424 0.873 -10.465 1.00 0.00 N ATOM 1663 CA ARG A 108 14.194 0.768 -11.733 1.00 0.00 C ATOM 1664 C ARG A 108 14.775 2.135 -12.105 1.00 0.00 C ATOM 1665 O ARG A 108 15.894 2.235 -12.568 1.00 0.00 O ATOM 1666 CB ARG A 108 13.249 0.304 -12.846 1.00 0.00 C ATOM 1667 CG ARG A 108 12.655 -1.074 -12.503 1.00 0.00 C ATOM 1668 CD ARG A 108 13.633 -2.191 -12.886 1.00 0.00 C ATOM 1669 NE ARG A 108 13.953 -2.092 -14.338 1.00 0.00 N ATOM 1670 CZ ARG A 108 14.971 -2.744 -14.831 1.00 0.00 C ATOM 1671 NH1 ARG A 108 15.704 -3.497 -14.056 1.00 0.00 N ATOM 1672 NH2 ARG A 108 15.252 -2.646 -16.100 1.00 0.00 N ATOM 0 H ARG A 108 12.438 0.621 -10.537 1.00 0.00 H new ATOM 0 HA ARG A 108 15.009 0.055 -11.607 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.447 1.031 -12.978 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.789 0.250 -13.791 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.434 -1.126 -11.437 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.712 -1.212 -13.031 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.545 -2.109 -12.295 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.196 -3.164 -12.664 1.00 0.00 H new ATOM 0 HE ARG A 108 13.375 -1.514 -14.948 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.482 -3.577 -13.064 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.499 -4.006 -14.443 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.677 -2.061 -16.706 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.047 -3.155 -16.487 1.00 0.00 H new ATOM 1686 N GLU A 109 14.027 3.189 -11.916 1.00 0.00 N ATOM 1687 CA GLU A 109 14.546 4.544 -12.271 1.00 0.00 C ATOM 1688 C GLU A 109 15.351 5.117 -11.102 1.00 0.00 C ATOM 1689 O GLU A 109 16.118 6.044 -11.264 1.00 0.00 O ATOM 1690 CB GLU A 109 13.367 5.470 -12.566 1.00 0.00 C ATOM 1691 CG GLU A 109 12.663 5.008 -13.840 1.00 0.00 C ATOM 1692 CD GLU A 109 11.459 5.910 -14.110 1.00 0.00 C ATOM 1693 OE1 GLU A 109 11.231 6.811 -13.321 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.785 5.684 -15.101 1.00 0.00 O ATOM 0 H GLU A 109 13.082 3.172 -11.533 1.00 0.00 H new ATOM 0 HA GLU A 109 15.189 4.465 -13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.668 5.465 -11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.717 6.496 -12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.353 5.042 -14.683 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.339 3.973 -13.735 1.00 0.00 H new ATOM 1701 N GLY A 110 15.188 4.575 -9.926 1.00 0.00 N ATOM 1702 CA GLY A 110 15.949 5.095 -8.756 1.00 0.00 C ATOM 1703 C GLY A 110 15.350 6.432 -8.310 1.00 0.00 C ATOM 1704 O GLY A 110 15.890 7.111 -7.460 1.00 0.00 O ATOM 0 H GLY A 110 14.561 3.796 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.913 4.377 -7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.999 5.225 -9.020 1.00 0.00 H new ATOM 1708 N ARG A 111 14.230 6.813 -8.872 1.00 0.00 N ATOM 1709 CA ARG A 111 13.589 8.105 -8.476 1.00 0.00 C ATOM 1710 C ARG A 111 12.564 7.818 -7.379 1.00 0.00 C ATOM 1711 O ARG A 111 11.442 7.434 -7.646 1.00 0.00 O ATOM 1712 CB ARG A 111 12.881 8.714 -9.689 1.00 0.00 C ATOM 1713 CG ARG A 111 13.923 9.198 -10.700 1.00 0.00 C ATOM 1714 CD ARG A 111 13.212 9.807 -11.911 1.00 0.00 C ATOM 1715 NE ARG A 111 14.210 10.071 -13.002 1.00 0.00 N ATOM 1716 CZ ARG A 111 15.240 10.851 -12.812 1.00 0.00 C ATOM 1717 NH1 ARG A 111 15.333 11.569 -11.728 1.00 0.00 N ATOM 1718 NH2 ARG A 111 16.157 10.950 -13.735 1.00 0.00 N ATOM 0 H ARG A 111 13.731 6.285 -9.588 1.00 0.00 H new ATOM 0 HA ARG A 111 14.342 8.804 -8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 111 12.227 7.974 -10.151 1.00 0.00 H new ATOM 0 HB3 ARG A 111 12.250 9.545 -9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 111 14.577 9.938 -10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.554 8.367 -11.015 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.437 9.129 -12.269 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.716 10.735 -11.626 1.00 0.00 H new ATOM 0 HE ARG A 111 14.080 9.631 -13.913 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.598 11.524 -11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 111 16.140 12.176 -11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 111 16.068 10.419 -14.601 1.00 0.00 H new ATOM 0 HH22 ARG A 111 16.963 11.558 -13.590 1.00 0.00 H new ATOM 1732 N PHE A 112 12.952 7.978 -6.144 1.00 0.00 N ATOM 1733 CA PHE A 112 12.021 7.692 -5.012 1.00 0.00 C ATOM 1734 C PHE A 112 11.253 8.956 -4.618 1.00 0.00 C ATOM 1735 O PHE A 112 11.758 10.058 -4.704 1.00 0.00 O ATOM 1736 CB PHE A 112 12.845 7.184 -3.833 1.00 0.00 C ATOM 1737 CG PHE A 112 13.680 6.024 -4.315 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.124 4.744 -4.384 1.00 0.00 C ATOM 1739 CD2 PHE A 112 15.005 6.234 -4.715 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.893 3.672 -4.851 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.774 5.160 -5.181 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.217 3.880 -5.249 1.00 0.00 C ATOM 0 H PHE A 112 13.880 8.297 -5.867 1.00 0.00 H new ATOM 0 HA PHE A 112 11.292 6.939 -5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.483 7.977 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.192 6.871 -3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.101 4.582 -4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.434 7.224 -4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.463 2.683 -4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.797 5.321 -5.488 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.809 3.052 -5.609 1.00 0.00 H new ATOM 1752 N ASN A 113 10.030 8.797 -4.189 1.00 0.00 N ATOM 1753 CA ASN A 113 9.210 9.975 -3.785 1.00 0.00 C ATOM 1754 C ASN A 113 9.199 11.008 -4.914 1.00 0.00 C ATOM 1755 CB ASN A 113 9.799 10.610 -2.524 1.00 0.00 C ATOM 1756 CG ASN A 113 9.695 9.625 -1.360 1.00 0.00 C ATOM 1757 OD1 ASN A 113 8.675 8.993 -1.175 1.00 0.00 O ATOM 1758 ND2 ASN A 113 10.712 9.472 -0.557 1.00 0.00 N ATOM 1759 OXT ASN A 113 10.015 11.914 -4.868 1.00 0.00 O ATOM 0 H ASN A 113 9.561 7.896 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 113 8.191 9.645 -3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.841 10.880 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.266 11.530 -2.284 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.650 8.821 0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.569 10.003 -0.712 1.00 0.00 H new