USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 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 1 ARG N :NH3+ 142:sc= -0.233 (180deg=-1.96!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.0237 X(o=0.024,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 140:sc= -5.27! (180deg=-9.68!) USER MOD Single : A 31 SER OG : rot -29:sc= 0.105 USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= -0.156 (180deg=-1.51!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= 0.18 F(o=-1.3,f=0.18) USER MOD Single : A 42 THR OG1 : rot -30:sc= 1.05 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.59) USER MOD Single : A 60 SER OG : rot 180:sc= -0.099 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 64 HIS : no HE2:sc= -14.2! C(o=-14!,f=-15!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -170:sc= -0.0684 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= -0.0162 (180deg=-0.633) USER MOD Single : A 84 TYR OH : rot 92:sc= 1.36 USER MOD Single : A 85 MET CE :methyl -123:sc= -1.25 (180deg=-5.7!) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.266) USER MOD Single : B 3 LYS NZ :NH3+ -166:sc= 0.435 (180deg=0.271) USER MOD Single : B 5 SER OG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.133 -18.359 7.552 1.00 0.00 N ATOM 2 CA ARG A 1 -6.722 -17.132 8.297 1.00 0.00 C ATOM 3 C ARG A 1 -5.201 -17.084 8.439 1.00 0.00 C ATOM 4 O ARG A 1 -4.498 -17.985 8.029 1.00 0.00 O ATOM 5 CB ARG A 1 -7.389 -17.247 9.671 1.00 0.00 C ATOM 6 CG ARG A 1 -6.915 -18.525 10.367 1.00 0.00 C ATOM 7 CD ARG A 1 -7.815 -18.814 11.570 1.00 0.00 C ATOM 8 NE ARG A 1 -7.040 -18.338 12.751 1.00 0.00 N ATOM 9 CZ ARG A 1 -7.631 -18.201 13.906 1.00 0.00 C ATOM 10 NH1 ARG A 1 -7.977 -19.256 14.591 1.00 0.00 N ATOM 11 NH2 ARG A 1 -7.878 -17.008 14.375 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.009 -18.739 7.965 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.297 -18.120 6.553 1.00 0.00 H new ATOM 0 H3 ARG A 1 -6.380 -19.074 7.618 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.022 -16.220 7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.143 -16.377 10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.473 -17.262 9.560 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.941 -19.363 9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -5.881 -18.413 10.692 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.768 -18.291 11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.041 -19.877 11.648 1.00 0.00 H new ATOM 0 HE ARG A 1 -6.048 -18.120 12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.785 -20.188 14.224 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -8.439 -19.149 15.494 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -7.609 -16.183 13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -8.340 -16.901 15.278 1.00 0.00 H new ATOM 27 N ARG A 2 -4.690 -16.029 9.007 1.00 0.00 N ATOM 28 CA ARG A 2 -3.214 -15.906 9.167 1.00 0.00 C ATOM 29 C ARG A 2 -2.872 -14.977 10.335 1.00 0.00 C ATOM 30 O ARG A 2 -3.716 -14.272 10.852 1.00 0.00 O ATOM 31 CB ARG A 2 -2.730 -15.298 7.849 1.00 0.00 C ATOM 32 CG ARG A 2 -2.408 -16.411 6.861 1.00 0.00 C ATOM 33 CD ARG A 2 -1.062 -16.120 6.199 1.00 0.00 C ATOM 34 NE ARG A 2 -0.065 -16.229 7.300 1.00 0.00 N ATOM 35 CZ ARG A 2 1.147 -16.636 7.043 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.339 -17.781 6.447 1.00 0.00 N ATOM 37 NH2 ARG A 2 2.168 -15.897 7.383 1.00 0.00 N ATOM 0 H ARG A 2 -5.232 -15.244 9.369 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.744 -16.866 9.382 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.496 -14.642 7.436 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.846 -14.685 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.374 -17.372 7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.191 -16.481 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.851 -16.833 5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.048 -15.127 5.750 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.330 -15.985 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.541 -18.358 6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.287 -18.099 6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.017 -15.002 7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.116 -16.214 7.183 1.00 0.00 H new ATOM 51 N ARG A 3 -1.634 -14.965 10.741 1.00 0.00 N ATOM 52 CA ARG A 3 -1.215 -14.078 11.864 1.00 0.00 C ATOM 53 C ARG A 3 0.173 -13.508 11.564 1.00 0.00 C ATOM 54 O ARG A 3 1.122 -14.241 11.369 1.00 0.00 O ATOM 55 CB ARG A 3 -1.178 -14.981 13.100 1.00 0.00 C ATOM 56 CG ARG A 3 -0.293 -16.200 12.825 1.00 0.00 C ATOM 57 CD ARG A 3 -1.133 -17.476 12.921 1.00 0.00 C ATOM 58 NE ARG A 3 -1.603 -17.523 14.334 1.00 0.00 N ATOM 59 CZ ARG A 3 -1.494 -18.626 15.021 1.00 0.00 C ATOM 60 NH1 ARG A 3 -0.336 -19.218 15.125 1.00 0.00 N ATOM 61 NH2 ARG A 3 -2.543 -19.138 15.605 1.00 0.00 N ATOM 0 H ARG A 3 -0.888 -15.535 10.341 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.890 -13.235 12.011 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.793 -14.426 13.956 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.187 -15.303 13.357 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.155 -16.121 11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 3 0.526 -16.237 13.543 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.973 -17.449 12.227 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.542 -18.357 12.672 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.010 -16.692 14.764 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.484 -18.818 14.669 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.251 -20.081 15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.448 -18.675 15.524 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.457 -20.001 16.142 1.00 0.00 H new ATOM 75 N VAL A 4 0.304 -12.211 11.505 1.00 0.00 N ATOM 76 CA VAL A 4 1.638 -11.624 11.194 1.00 0.00 C ATOM 77 C VAL A 4 1.990 -10.506 12.179 1.00 0.00 C ATOM 78 O VAL A 4 1.159 -9.700 12.546 1.00 0.00 O ATOM 79 CB VAL A 4 1.494 -11.070 9.777 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.812 -10.430 9.339 1.00 0.00 C ATOM 81 CG2 VAL A 4 1.139 -12.213 8.821 1.00 0.00 C ATOM 0 H VAL A 4 -0.447 -11.538 11.657 1.00 0.00 H new ATOM 0 HA VAL A 4 2.438 -12.360 11.273 1.00 0.00 H new ATOM 0 HB VAL A 4 0.705 -10.318 9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.707 -10.036 8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.066 -9.618 10.021 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.603 -11.179 9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.035 -11.822 7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.930 -12.963 8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.199 -12.669 9.132 1.00 0.00 H new ATOM 91 N THR A 5 3.225 -10.452 12.601 1.00 0.00 N ATOM 92 CA THR A 5 3.649 -9.387 13.555 1.00 0.00 C ATOM 93 C THR A 5 4.746 -8.530 12.917 1.00 0.00 C ATOM 94 O THR A 5 5.824 -9.007 12.622 1.00 0.00 O ATOM 95 CB THR A 5 4.191 -10.140 14.775 1.00 0.00 C ATOM 96 OG1 THR A 5 3.121 -10.804 15.431 1.00 0.00 O ATOM 97 CG2 THR A 5 4.853 -9.156 15.746 1.00 0.00 C ATOM 0 H THR A 5 3.961 -11.102 12.325 1.00 0.00 H new ATOM 0 HA THR A 5 2.833 -8.717 13.825 1.00 0.00 H new ATOM 0 HB THR A 5 4.931 -10.870 14.447 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.465 -11.288 16.211 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.235 -9.699 16.610 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.676 -8.647 15.244 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.119 -8.421 16.076 1.00 0.00 H new ATOM 105 N VAL A 6 4.484 -7.271 12.704 1.00 0.00 N ATOM 106 CA VAL A 6 5.523 -6.397 12.088 1.00 0.00 C ATOM 107 C VAL A 6 6.162 -5.505 13.153 1.00 0.00 C ATOM 108 O VAL A 6 5.536 -4.615 13.693 1.00 0.00 O ATOM 109 CB VAL A 6 4.783 -5.556 11.049 1.00 0.00 C ATOM 110 CG1 VAL A 6 5.756 -4.566 10.406 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.208 -6.475 9.974 1.00 0.00 C ATOM 0 H VAL A 6 3.602 -6.811 12.928 1.00 0.00 H new ATOM 0 HA VAL A 6 6.328 -6.975 11.635 1.00 0.00 H new ATOM 0 HB VAL A 6 3.975 -5.007 11.532 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.228 -3.966 9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.170 -3.912 11.174 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.564 -5.113 9.921 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.679 -5.879 9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.018 -7.022 9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.516 -7.182 10.432 1.00 0.00 H new ATOM 121 N ARG A 7 7.407 -5.738 13.457 1.00 0.00 N ATOM 122 CA ARG A 7 8.089 -4.905 14.488 1.00 0.00 C ATOM 123 C ARG A 7 8.353 -3.502 13.934 1.00 0.00 C ATOM 124 O ARG A 7 8.862 -3.338 12.843 1.00 0.00 O ATOM 125 CB ARG A 7 9.407 -5.627 14.781 1.00 0.00 C ATOM 126 CG ARG A 7 9.177 -6.754 15.796 1.00 0.00 C ATOM 127 CD ARG A 7 10.146 -6.585 16.970 1.00 0.00 C ATOM 128 NE ARG A 7 10.514 -7.974 17.368 1.00 0.00 N ATOM 129 CZ ARG A 7 11.712 -8.228 17.818 1.00 0.00 C ATOM 130 NH1 ARG A 7 12.758 -7.938 17.092 1.00 0.00 N ATOM 131 NH2 ARG A 7 11.866 -8.772 18.994 1.00 0.00 N ATOM 0 H ARG A 7 7.983 -6.468 13.037 1.00 0.00 H new ATOM 0 HA ARG A 7 7.487 -4.786 15.389 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.819 -6.036 13.859 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.139 -4.920 15.171 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.148 -6.732 16.154 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.329 -7.723 15.321 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.026 -6.012 16.677 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.677 -6.049 17.795 1.00 0.00 H new ATOM 0 HE ARG A 7 9.829 -8.726 17.288 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.639 -7.513 16.173 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.694 -8.137 17.444 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.050 -8.999 19.562 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.803 -8.970 19.345 1.00 0.00 H new ATOM 213 N LEU A 14 5.928 1.989 7.271 1.00 0.00 N ATOM 214 CA LEU A 14 5.556 0.547 7.350 1.00 0.00 C ATOM 215 C LEU A 14 5.473 -0.068 5.948 1.00 0.00 C ATOM 216 O LEU A 14 5.463 -1.273 5.793 1.00 0.00 O ATOM 217 CB LEU A 14 4.180 0.532 8.017 1.00 0.00 C ATOM 218 CG LEU A 14 4.112 -0.607 9.036 1.00 0.00 C ATOM 219 CD1 LEU A 14 3.056 -0.279 10.094 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.730 -1.905 8.324 1.00 0.00 C ATOM 0 HA LEU A 14 6.292 -0.034 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.994 1.486 8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.402 0.406 7.264 1.00 0.00 H new ATOM 0 HG LEU A 14 5.084 -0.726 9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.006 -1.089 10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.325 0.648 10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.084 -0.161 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.681 -2.717 9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.757 -1.786 7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.479 -2.139 7.567 1.00 0.00 H new ATOM 232 N GLY A 15 5.401 0.745 4.926 1.00 0.00 N ATOM 233 CA GLY A 15 5.307 0.191 3.542 1.00 0.00 C ATOM 234 C GLY A 15 4.102 -0.745 3.468 1.00 0.00 C ATOM 235 O GLY A 15 4.214 -1.935 3.687 1.00 0.00 O ATOM 0 H GLY A 15 5.403 1.763 4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.202 0.999 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.220 -0.348 3.288 1.00 0.00 H new ATOM 239 N ILE A 16 2.943 -0.215 3.187 1.00 0.00 N ATOM 240 CA ILE A 16 1.725 -1.078 3.129 1.00 0.00 C ATOM 241 C ILE A 16 0.507 -0.253 2.694 1.00 0.00 C ATOM 242 O ILE A 16 0.100 0.673 3.366 1.00 0.00 O ATOM 243 CB ILE A 16 1.546 -1.605 4.569 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.168 -2.259 4.731 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.668 -0.451 5.570 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.207 -3.245 5.896 1.00 0.00 C ATOM 0 H ILE A 16 2.785 0.774 2.995 1.00 0.00 H new ATOM 0 HA ILE A 16 1.824 -1.889 2.408 1.00 0.00 H new ATOM 0 HB ILE A 16 2.324 -2.344 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.590 -1.496 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.112 -2.775 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.540 -0.833 6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.652 0.009 5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.899 0.293 5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.772 -3.710 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.953 -4.014 5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.468 -2.715 6.812 1.00 0.00 H new ATOM 258 N SER A 17 -0.085 -0.593 1.581 1.00 0.00 N ATOM 259 CA SER A 17 -1.283 0.162 1.118 1.00 0.00 C ATOM 260 C SER A 17 -2.516 -0.745 1.179 1.00 0.00 C ATOM 261 O SER A 17 -2.725 -1.582 0.323 1.00 0.00 O ATOM 262 CB SER A 17 -0.973 0.564 -0.325 1.00 0.00 C ATOM 263 OG SER A 17 -2.183 0.672 -1.060 1.00 0.00 O ATOM 0 H SER A 17 0.209 -1.359 0.974 1.00 0.00 H new ATOM 0 HA SER A 17 -1.494 1.034 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.440 1.514 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.320 -0.176 -0.787 1.00 0.00 H new ATOM 0 HG SER A 17 -1.983 0.931 -1.984 1.00 0.00 H new ATOM 269 N ILE A 18 -3.326 -0.596 2.192 1.00 0.00 N ATOM 270 CA ILE A 18 -4.534 -1.463 2.313 1.00 0.00 C ATOM 271 C ILE A 18 -5.647 -0.983 1.381 1.00 0.00 C ATOM 272 O ILE A 18 -5.748 0.186 1.066 1.00 0.00 O ATOM 273 CB ILE A 18 -4.964 -1.350 3.774 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.309 0.102 4.100 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.821 -1.815 4.678 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.124 0.142 5.391 1.00 0.00 C ATOM 0 H ILE A 18 -3.204 0.087 2.940 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.321 -2.494 2.030 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.841 -1.975 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.398 0.689 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.877 0.547 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.127 -1.735 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.576 -2.852 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.945 -1.189 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.375 1.175 5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.041 -0.433 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.539 -0.288 6.204 1.00 0.00 H new ATOM 288 N LYS A 19 -6.482 -1.884 0.935 1.00 0.00 N ATOM 289 CA LYS A 19 -7.590 -1.486 0.020 1.00 0.00 C ATOM 290 C LYS A 19 -8.885 -2.203 0.414 1.00 0.00 C ATOM 291 O LYS A 19 -8.947 -3.416 0.456 1.00 0.00 O ATOM 292 CB LYS A 19 -7.130 -1.929 -1.369 1.00 0.00 C ATOM 293 CG LYS A 19 -7.843 -1.098 -2.439 1.00 0.00 C ATOM 294 CD LYS A 19 -7.117 -1.261 -3.777 1.00 0.00 C ATOM 295 CE LYS A 19 -8.047 -0.846 -4.920 1.00 0.00 C ATOM 296 NZ LYS A 19 -7.202 -0.921 -6.145 1.00 0.00 N ATOM 0 H LYS A 19 -6.444 -2.877 1.165 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.797 -0.417 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.051 -1.808 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.346 -2.988 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.880 -1.420 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.860 -0.048 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.214 -0.650 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.803 -2.297 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.907 -1.512 -4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.435 0.161 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.768 -0.651 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.395 -0.272 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.852 -1.893 -6.267 1.00 0.00 H new ATOM 310 N GLY A 20 -9.918 -1.462 0.705 1.00 0.00 N ATOM 311 CA GLY A 20 -11.208 -2.096 1.098 1.00 0.00 C ATOM 312 C GLY A 20 -12.051 -1.077 1.866 1.00 0.00 C ATOM 313 O GLY A 20 -11.919 0.116 1.681 1.00 0.00 O ATOM 0 H GLY A 20 -9.925 -0.442 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.745 -2.437 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.023 -2.974 1.717 1.00 0.00 H new ATOM 317 N GLY A 21 -12.916 -1.535 2.728 1.00 0.00 N ATOM 318 CA GLY A 21 -13.760 -0.584 3.504 1.00 0.00 C ATOM 319 C GLY A 21 -14.984 -1.312 4.056 1.00 0.00 C ATOM 320 O GLY A 21 -15.647 -2.054 3.359 1.00 0.00 O ATOM 0 H GLY A 21 -13.075 -2.523 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.182 -0.154 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.074 0.242 2.866 1.00 0.00 H new ATOM 324 N ARG A 22 -15.288 -1.102 5.307 1.00 0.00 N ATOM 325 CA ARG A 22 -16.470 -1.777 5.914 1.00 0.00 C ATOM 326 C ARG A 22 -17.757 -1.384 5.173 1.00 0.00 C ATOM 327 O ARG A 22 -18.778 -2.029 5.303 1.00 0.00 O ATOM 328 CB ARG A 22 -16.489 -1.286 7.364 1.00 0.00 C ATOM 329 CG ARG A 22 -17.667 -1.912 8.114 1.00 0.00 C ATOM 330 CD ARG A 22 -17.157 -3.050 8.998 1.00 0.00 C ATOM 331 NE ARG A 22 -18.112 -4.169 8.765 1.00 0.00 N ATOM 332 CZ ARG A 22 -17.675 -5.397 8.702 1.00 0.00 C ATOM 333 NH1 ARG A 22 -16.738 -5.713 7.851 1.00 0.00 N ATOM 334 NH2 ARG A 22 -18.173 -6.308 9.493 1.00 0.00 N ATOM 0 H ARG A 22 -14.768 -0.491 5.936 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.410 -2.864 5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.553 -1.548 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.569 -0.199 7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.166 -1.159 8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.405 -2.289 7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.140 -3.335 8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.138 -2.758 10.048 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.107 -3.975 8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.347 -5.000 7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.396 -6.673 7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.904 -6.060 10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.832 -7.268 9.444 1.00 0.00 H new ATOM 348 N GLU A 23 -17.720 -0.343 4.380 1.00 0.00 N ATOM 349 CA GLU A 23 -18.949 0.059 3.633 1.00 0.00 C ATOM 350 C GLU A 23 -19.098 -0.778 2.352 1.00 0.00 C ATOM 351 O GLU A 23 -19.964 -0.527 1.538 1.00 0.00 O ATOM 352 CB GLU A 23 -18.748 1.542 3.289 1.00 0.00 C ATOM 353 CG GLU A 23 -17.448 1.719 2.501 1.00 0.00 C ATOM 354 CD GLU A 23 -17.696 2.649 1.311 1.00 0.00 C ATOM 355 OE1 GLU A 23 -18.532 3.528 1.437 1.00 0.00 O ATOM 356 OE2 GLU A 23 -17.045 2.466 0.296 1.00 0.00 O ATOM 0 H GLU A 23 -16.899 0.241 4.219 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.853 -0.101 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.592 1.907 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.714 2.136 4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.673 2.134 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.087 0.752 2.151 1.00 0.00 H new ATOM 363 N ASN A 24 -18.266 -1.772 2.169 1.00 0.00 N ATOM 364 CA ASN A 24 -18.367 -2.620 0.949 1.00 0.00 C ATOM 365 C ASN A 24 -18.115 -4.085 1.315 1.00 0.00 C ATOM 366 O ASN A 24 -17.724 -4.885 0.488 1.00 0.00 O ATOM 367 CB ASN A 24 -17.270 -2.105 0.017 1.00 0.00 C ATOM 368 CG ASN A 24 -17.905 -1.375 -1.168 1.00 0.00 C ATOM 369 OD1 ASN A 24 -17.892 -1.868 -2.278 1.00 0.00 O ATOM 370 ND2 ASN A 24 -18.464 -0.210 -0.979 1.00 0.00 N ATOM 0 H ASN A 24 -17.520 -2.031 2.815 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.351 -2.568 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.605 -1.432 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.661 -2.936 -0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.889 0.285 -1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.476 0.205 -0.047 1.00 0.00 H new ATOM 377 N LYS A 25 -18.334 -4.441 2.553 1.00 0.00 N ATOM 378 CA LYS A 25 -18.106 -5.851 2.980 1.00 0.00 C ATOM 379 C LYS A 25 -16.686 -6.292 2.613 1.00 0.00 C ATOM 380 O LYS A 25 -16.490 -7.175 1.801 1.00 0.00 O ATOM 381 CB LYS A 25 -19.145 -6.671 2.213 1.00 0.00 C ATOM 382 CG LYS A 25 -20.495 -6.582 2.930 1.00 0.00 C ATOM 383 CD LYS A 25 -21.615 -6.949 1.954 1.00 0.00 C ATOM 384 CE LYS A 25 -22.406 -5.690 1.592 1.00 0.00 C ATOM 385 NZ LYS A 25 -23.550 -5.672 2.547 1.00 0.00 N ATOM 0 H LYS A 25 -18.662 -3.814 3.288 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.206 -5.979 4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.238 -6.298 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.825 -7.711 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.509 -7.256 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.649 -5.574 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.195 -7.400 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.276 -7.690 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.792 -4.795 1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.753 -5.724 0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.142 -4.837 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.119 -6.534 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.188 -5.633 3.521 1.00 0.00 H new ATOM 399 N MET A 26 -15.695 -5.684 3.206 1.00 0.00 N ATOM 400 CA MET A 26 -14.288 -6.068 2.894 1.00 0.00 C ATOM 401 C MET A 26 -13.411 -5.942 4.151 1.00 0.00 C ATOM 402 O MET A 26 -13.258 -4.861 4.684 1.00 0.00 O ATOM 403 CB MET A 26 -13.832 -5.067 1.832 1.00 0.00 C ATOM 404 CG MET A 26 -13.584 -5.795 0.507 1.00 0.00 C ATOM 405 SD MET A 26 -11.802 -5.941 0.221 1.00 0.00 S ATOM 406 CE MET A 26 -11.556 -7.495 1.113 1.00 0.00 C ATOM 0 H MET A 26 -15.798 -4.938 3.893 1.00 0.00 H new ATOM 0 HA MET A 26 -14.210 -7.099 2.550 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.590 -4.295 1.697 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.921 -4.566 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 26 -14.041 -6.784 0.532 1.00 0.00 H new ATOM 0 HG3 MET A 26 -14.051 -5.249 -0.313 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.856 -8.124 0.563 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.154 -7.286 2.104 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.510 -8.013 1.211 1.00 0.00 H new ATOM 416 N PRO A 27 -12.856 -7.049 4.588 1.00 0.00 N ATOM 417 CA PRO A 27 -11.981 -7.046 5.799 1.00 0.00 C ATOM 418 C PRO A 27 -10.652 -6.323 5.536 1.00 0.00 C ATOM 419 O PRO A 27 -9.598 -6.883 5.764 1.00 0.00 O ATOM 420 CB PRO A 27 -11.710 -8.529 6.040 1.00 0.00 C ATOM 421 CG PRO A 27 -11.886 -9.163 4.701 1.00 0.00 C ATOM 422 CD PRO A 27 -12.987 -8.398 4.021 1.00 0.00 C ATOM 0 HA PRO A 27 -12.448 -6.533 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.704 -8.691 6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.403 -8.946 6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.963 -9.116 4.123 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.147 -10.217 4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.865 -8.393 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.966 -8.830 4.230 1.00 0.00 H new ATOM 430 N ILE A 28 -10.685 -5.093 5.072 1.00 0.00 N ATOM 431 CA ILE A 28 -9.406 -4.340 4.801 1.00 0.00 C ATOM 432 C ILE A 28 -8.377 -5.262 4.119 1.00 0.00 C ATOM 433 O ILE A 28 -7.596 -5.916 4.781 1.00 0.00 O ATOM 434 CB ILE A 28 -8.885 -3.898 6.178 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.027 -3.335 7.042 1.00 0.00 C ATOM 436 CG2 ILE A 28 -7.822 -2.816 5.992 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.729 -2.192 6.305 1.00 0.00 C ATOM 0 H ILE A 28 -11.540 -4.575 4.868 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.573 -3.491 4.138 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.459 -4.766 6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.743 -4.124 7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.632 -2.977 7.993 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.450 -2.500 6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.997 -3.214 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.259 -1.961 5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.536 -1.800 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.012 -1.398 6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.140 -2.563 5.366 1.00 0.00 H new ATOM 449 N LEU A 29 -8.385 -5.347 2.814 1.00 0.00 N ATOM 450 CA LEU A 29 -7.425 -6.266 2.127 1.00 0.00 C ATOM 451 C LEU A 29 -6.223 -5.511 1.554 1.00 0.00 C ATOM 452 O LEU A 29 -6.363 -4.575 0.792 1.00 0.00 O ATOM 453 CB LEU A 29 -8.245 -6.915 1.010 1.00 0.00 C ATOM 454 CG LEU A 29 -7.438 -8.040 0.366 1.00 0.00 C ATOM 455 CD1 LEU A 29 -7.106 -9.086 1.426 1.00 0.00 C ATOM 456 CD2 LEU A 29 -8.263 -8.693 -0.742 1.00 0.00 C ATOM 0 H LEU A 29 -9.008 -4.825 2.198 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.005 -6.997 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.178 -7.308 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.510 -6.170 0.260 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.519 -7.634 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.530 -9.893 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.521 -8.625 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.030 -9.489 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.686 -9.496 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.181 -9.102 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.512 -7.948 -1.498 1.00 0.00 H new ATOM 468 N ILE A 30 -5.036 -5.930 1.915 1.00 0.00 N ATOM 469 CA ILE A 30 -3.810 -5.260 1.394 1.00 0.00 C ATOM 470 C ILE A 30 -3.744 -5.390 -0.129 1.00 0.00 C ATOM 471 O ILE A 30 -3.998 -6.440 -0.685 1.00 0.00 O ATOM 472 CB ILE A 30 -2.645 -5.997 2.052 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.700 -5.775 3.565 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.322 -5.456 1.502 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.516 -6.479 4.228 1.00 0.00 C ATOM 0 H ILE A 30 -4.865 -6.710 2.550 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.793 -4.194 1.620 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.716 -7.063 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.673 -4.708 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.637 -6.161 3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.491 -5.982 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.286 -5.610 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.246 -4.391 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.556 -6.321 5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.563 -7.547 4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.584 -6.072 3.835 1.00 0.00 H new ATOM 487 N SER A 31 -3.405 -4.328 -0.808 1.00 0.00 N ATOM 488 CA SER A 31 -3.326 -4.389 -2.296 1.00 0.00 C ATOM 489 C SER A 31 -1.923 -4.005 -2.780 1.00 0.00 C ATOM 490 O SER A 31 -1.590 -4.183 -3.935 1.00 0.00 O ATOM 491 CB SER A 31 -4.357 -3.373 -2.788 1.00 0.00 C ATOM 492 OG SER A 31 -4.402 -3.392 -4.208 1.00 0.00 O ATOM 0 H SER A 31 -3.180 -3.422 -0.398 1.00 0.00 H new ATOM 0 HA SER A 31 -3.523 -5.392 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.340 -3.609 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.097 -2.375 -2.435 1.00 0.00 H new ATOM 0 HG SER A 31 -3.524 -3.647 -4.560 1.00 0.00 H new ATOM 498 N LYS A 32 -1.097 -3.476 -1.916 1.00 0.00 N ATOM 499 CA LYS A 32 0.274 -3.087 -2.352 1.00 0.00 C ATOM 500 C LYS A 32 1.256 -3.159 -1.179 1.00 0.00 C ATOM 501 O LYS A 32 1.246 -2.326 -0.295 1.00 0.00 O ATOM 502 CB LYS A 32 0.136 -1.646 -2.847 1.00 0.00 C ATOM 503 CG LYS A 32 0.604 -1.556 -4.301 1.00 0.00 C ATOM 504 CD LYS A 32 1.185 -0.164 -4.564 1.00 0.00 C ATOM 505 CE LYS A 32 0.096 0.892 -4.360 1.00 0.00 C ATOM 506 NZ LYS A 32 -1.000 0.495 -5.288 1.00 0.00 N ATOM 0 H LYS A 32 -1.311 -3.298 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 32 0.661 -3.752 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.901 -1.321 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.728 -0.978 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.356 -2.319 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.231 -1.747 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.021 0.026 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.575 -0.107 -5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.249 0.910 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.466 1.891 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.515 1.343 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.596 0.011 -6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.655 -0.146 -4.797 1.00 0.00 H new ATOM 520 N ILE A 33 2.109 -4.146 -1.171 1.00 0.00 N ATOM 521 CA ILE A 33 3.101 -4.270 -0.064 1.00 0.00 C ATOM 522 C ILE A 33 4.427 -3.628 -0.492 1.00 0.00 C ATOM 523 O ILE A 33 5.253 -4.249 -1.131 1.00 0.00 O ATOM 524 CB ILE A 33 3.245 -5.784 0.159 1.00 0.00 C ATOM 525 CG1 ILE A 33 2.027 -6.293 0.929 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.508 -6.098 0.967 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.950 -5.601 2.293 1.00 0.00 C ATOM 0 H ILE A 33 2.163 -4.873 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 33 2.795 -3.765 0.852 1.00 0.00 H new ATOM 0 HB ILE A 33 3.318 -6.274 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.118 -6.098 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.094 -7.373 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.589 -7.175 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.384 -5.738 0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.451 -5.604 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.080 -5.967 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.853 -5.819 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.862 -4.524 2.150 1.00 0.00 H new ATOM 539 N PHE A 34 4.630 -2.387 -0.145 1.00 0.00 N ATOM 540 CA PHE A 34 5.895 -1.698 -0.530 1.00 0.00 C ATOM 541 C PHE A 34 7.106 -2.510 -0.059 1.00 0.00 C ATOM 542 O PHE A 34 7.099 -3.088 1.008 1.00 0.00 O ATOM 543 CB PHE A 34 5.838 -0.345 0.180 1.00 0.00 C ATOM 544 CG PHE A 34 4.768 0.507 -0.456 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.454 0.459 0.025 1.00 0.00 C ATOM 546 CD2 PHE A 34 5.089 1.344 -1.531 1.00 0.00 C ATOM 547 CE1 PHE A 34 2.463 1.247 -0.570 1.00 0.00 C ATOM 548 CE2 PHE A 34 4.097 2.133 -2.124 1.00 0.00 C ATOM 549 CZ PHE A 34 2.784 2.084 -1.644 1.00 0.00 C ATOM 0 H PHE A 34 3.973 -1.819 0.390 1.00 0.00 H new ATOM 0 HA PHE A 34 5.995 -1.586 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.625 -0.486 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.804 0.155 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.206 -0.186 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.102 1.381 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.449 1.209 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.345 2.780 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.018 2.692 -2.102 1.00 0.00 H new ATOM 559 N LYS A 35 8.142 -2.562 -0.852 1.00 0.00 N ATOM 560 CA LYS A 35 9.347 -3.346 -0.452 1.00 0.00 C ATOM 561 C LYS A 35 10.288 -2.497 0.403 1.00 0.00 C ATOM 562 O LYS A 35 10.102 -1.306 0.558 1.00 0.00 O ATOM 563 CB LYS A 35 10.025 -3.736 -1.766 1.00 0.00 C ATOM 564 CG LYS A 35 9.046 -4.535 -2.629 1.00 0.00 C ATOM 565 CD LYS A 35 9.295 -6.032 -2.431 1.00 0.00 C ATOM 566 CE LYS A 35 10.699 -6.387 -2.926 1.00 0.00 C ATOM 567 NZ LYS A 35 11.298 -7.199 -1.829 1.00 0.00 N ATOM 0 H LYS A 35 8.207 -2.097 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 35 9.082 -4.217 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.350 -2.842 -2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.917 -4.329 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.020 -4.287 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.171 -4.271 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.193 -6.292 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.549 -6.611 -2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.659 -6.951 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.288 -5.491 -3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.263 -7.481 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.329 -6.634 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.720 -8.049 -1.671 1.00 0.00 H new ATOM 581 N GLY A 36 11.299 -3.106 0.963 1.00 0.00 N ATOM 582 CA GLY A 36 12.252 -2.341 1.812 1.00 0.00 C ATOM 583 C GLY A 36 11.495 -1.733 2.993 1.00 0.00 C ATOM 584 O GLY A 36 11.841 -0.677 3.485 1.00 0.00 O ATOM 0 H GLY A 36 11.504 -4.101 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.045 -2.997 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.729 -1.555 1.227 1.00 0.00 H new ATOM 588 N LEU A 37 10.457 -2.384 3.449 1.00 0.00 N ATOM 589 CA LEU A 37 9.681 -1.827 4.593 1.00 0.00 C ATOM 590 C LEU A 37 9.300 -2.935 5.583 1.00 0.00 C ATOM 591 O LEU A 37 9.347 -4.108 5.272 1.00 0.00 O ATOM 592 CB LEU A 37 8.439 -1.206 3.956 1.00 0.00 C ATOM 593 CG LEU A 37 8.801 0.174 3.398 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.338 0.277 1.944 1.00 0.00 C ATOM 595 CD2 LEU A 37 8.119 1.261 4.230 1.00 0.00 C ATOM 0 H LEU A 37 10.116 -3.272 3.081 1.00 0.00 H new ATOM 0 HA LEU A 37 10.254 -1.096 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.064 -1.848 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.642 -1.116 4.694 1.00 0.00 H new ATOM 0 HG LEU A 37 9.882 0.309 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.596 1.259 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.829 -0.494 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.258 0.139 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.378 2.241 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.038 1.127 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.454 1.191 5.265 1.00 0.00 H new ATOM 607 N ALA A 38 8.935 -2.560 6.780 1.00 0.00 N ATOM 608 CA ALA A 38 8.561 -3.569 7.818 1.00 0.00 C ATOM 609 C ALA A 38 7.609 -4.630 7.257 1.00 0.00 C ATOM 610 O ALA A 38 7.927 -5.801 7.206 1.00 0.00 O ATOM 611 CB ALA A 38 7.859 -2.759 8.908 1.00 0.00 C ATOM 0 H ALA A 38 8.879 -1.589 7.087 1.00 0.00 H new ATOM 0 HA ALA A 38 9.435 -4.108 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.549 -3.425 9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.544 -2.008 9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.982 -2.266 8.487 1.00 0.00 H new ATOM 617 N ALA A 39 6.434 -4.238 6.861 1.00 0.00 N ATOM 618 CA ALA A 39 5.455 -5.232 6.333 1.00 0.00 C ATOM 619 C ALA A 39 6.099 -6.149 5.284 1.00 0.00 C ATOM 620 O ALA A 39 6.032 -7.358 5.382 1.00 0.00 O ATOM 621 CB ALA A 39 4.345 -4.394 5.701 1.00 0.00 C ATOM 0 H ALA A 39 6.106 -3.272 6.879 1.00 0.00 H new ATOM 0 HA ALA A 39 5.084 -5.887 7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.582 -5.053 5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.897 -3.752 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.763 -3.778 4.905 1.00 0.00 H new ATOM 627 N ASP A 40 6.704 -5.593 4.273 1.00 0.00 N ATOM 628 CA ASP A 40 7.318 -6.451 3.217 1.00 0.00 C ATOM 629 C ASP A 40 8.655 -7.051 3.673 1.00 0.00 C ATOM 630 O ASP A 40 9.207 -7.904 3.007 1.00 0.00 O ATOM 631 CB ASP A 40 7.530 -5.524 2.023 1.00 0.00 C ATOM 632 CG ASP A 40 8.126 -6.325 0.864 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.341 -6.421 0.799 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.359 -6.830 0.061 1.00 0.00 O ATOM 0 H ASP A 40 6.801 -4.588 4.130 1.00 0.00 H new ATOM 0 HA ASP A 40 6.676 -7.299 2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.583 -5.076 1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.197 -4.706 2.296 1.00 0.00 H new ATOM 639 N GLN A 41 9.188 -6.628 4.790 1.00 0.00 N ATOM 640 CA GLN A 41 10.490 -7.209 5.239 1.00 0.00 C ATOM 641 C GLN A 41 10.283 -8.145 6.443 1.00 0.00 C ATOM 642 O GLN A 41 11.230 -8.567 7.077 1.00 0.00 O ATOM 643 CB GLN A 41 11.381 -6.003 5.595 1.00 0.00 C ATOM 644 CG GLN A 41 10.989 -5.413 6.954 1.00 0.00 C ATOM 645 CD GLN A 41 12.107 -5.674 7.965 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.791 -4.668 8.437 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 12.361 -6.806 8.329 1.00 0.00 N flip ATOM 0 H GLN A 41 8.787 -5.918 5.402 1.00 0.00 H new ATOM 0 HA GLN A 41 10.954 -7.820 4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.426 -6.312 5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.290 -5.239 4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.812 -4.342 6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.058 -5.860 7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.826 -7.592 7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.109 -6.969 9.003 1.00 0.00 H new ATOM 656 N THR A 42 9.058 -8.478 6.759 1.00 0.00 N ATOM 657 CA THR A 42 8.811 -9.389 7.914 1.00 0.00 C ATOM 658 C THR A 42 8.391 -10.781 7.421 1.00 0.00 C ATOM 659 O THR A 42 7.881 -11.586 8.175 1.00 0.00 O ATOM 660 CB THR A 42 7.676 -8.733 8.705 1.00 0.00 C ATOM 661 OG1 THR A 42 7.314 -9.574 9.792 1.00 0.00 O ATOM 662 CG2 THR A 42 6.465 -8.523 7.795 1.00 0.00 C ATOM 0 H THR A 42 8.222 -8.160 6.269 1.00 0.00 H new ATOM 0 HA THR A 42 9.704 -9.528 8.523 1.00 0.00 H new ATOM 0 HB THR A 42 8.010 -7.767 9.084 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.472 -10.510 9.548 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.660 -8.056 8.363 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.743 -7.878 6.962 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.127 -9.486 7.411 1.00 0.00 H new ATOM 670 N GLU A 43 8.606 -11.074 6.163 1.00 0.00 N ATOM 671 CA GLU A 43 8.224 -12.416 5.624 1.00 0.00 C ATOM 672 C GLU A 43 6.797 -12.791 6.044 1.00 0.00 C ATOM 673 O GLU A 43 6.570 -13.831 6.630 1.00 0.00 O ATOM 674 CB GLU A 43 9.233 -13.389 6.235 1.00 0.00 C ATOM 675 CG GLU A 43 9.873 -14.227 5.125 1.00 0.00 C ATOM 676 CD GLU A 43 9.372 -15.670 5.221 1.00 0.00 C ATOM 677 OE1 GLU A 43 8.181 -15.876 5.052 1.00 0.00 O ATOM 678 OE2 GLU A 43 10.188 -16.545 5.461 1.00 0.00 O ATOM 0 H GLU A 43 9.030 -10.441 5.485 1.00 0.00 H new ATOM 0 HA GLU A 43 8.240 -12.433 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.001 -12.839 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.737 -14.039 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.624 -13.809 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.959 -14.201 5.215 1.00 0.00 H new ATOM 685 N ALA A 44 5.834 -11.959 5.749 1.00 0.00 N ATOM 686 CA ALA A 44 4.427 -12.281 6.133 1.00 0.00 C ATOM 687 C ALA A 44 3.470 -11.207 5.613 1.00 0.00 C ATOM 688 O ALA A 44 2.451 -11.507 5.025 1.00 0.00 O ATOM 689 CB ALA A 44 4.425 -12.302 7.659 1.00 0.00 C ATOM 0 H ALA A 44 5.959 -11.073 5.260 1.00 0.00 H new ATOM 0 HA ALA A 44 4.096 -13.230 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.422 -12.533 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.121 -13.062 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.730 -11.326 8.037 1.00 0.00 H new ATOM 695 N LEU A 45 3.783 -9.958 5.819 1.00 0.00 N ATOM 696 CA LEU A 45 2.877 -8.887 5.320 1.00 0.00 C ATOM 697 C LEU A 45 2.904 -8.879 3.791 1.00 0.00 C ATOM 698 O LEU A 45 3.610 -8.108 3.171 1.00 0.00 O ATOM 699 CB LEU A 45 3.433 -7.582 5.887 1.00 0.00 C ATOM 700 CG LEU A 45 2.325 -6.845 6.642 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.169 -6.548 5.686 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.822 -7.720 7.793 1.00 0.00 C ATOM 0 H LEU A 45 4.619 -9.635 6.306 1.00 0.00 H new ATOM 0 HA LEU A 45 1.841 -9.034 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.268 -7.790 6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.818 -6.957 5.081 1.00 0.00 H new ATOM 0 HG LEU A 45 2.717 -5.910 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.379 -6.023 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.526 -5.925 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.777 -7.484 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.033 -7.195 8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.429 -8.655 7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.645 -7.933 8.474 1.00 0.00 H new ATOM 714 N PHE A 46 2.139 -9.741 3.184 1.00 0.00 N ATOM 715 CA PHE A 46 2.108 -9.806 1.688 1.00 0.00 C ATOM 716 C PHE A 46 0.737 -9.357 1.177 1.00 0.00 C ATOM 717 O PHE A 46 -0.264 -9.513 1.841 1.00 0.00 O ATOM 718 CB PHE A 46 2.395 -11.278 1.276 1.00 0.00 C ATOM 719 CG PHE A 46 1.983 -12.271 2.352 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.646 -12.359 2.753 1.00 0.00 C ATOM 721 CD2 PHE A 46 2.947 -13.095 2.951 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.270 -13.268 3.750 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.570 -14.005 3.946 1.00 0.00 C ATOM 724 CZ PHE A 46 1.232 -14.091 4.346 1.00 0.00 C ATOM 0 H PHE A 46 1.530 -10.408 3.657 1.00 0.00 H new ATOM 0 HA PHE A 46 2.857 -9.144 1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.862 -11.505 0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.458 -11.393 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.098 -11.725 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.980 -13.028 2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.763 -13.334 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.312 -14.641 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.942 -14.792 5.114 1.00 0.00 H new ATOM 734 N VAL A 47 0.683 -8.785 0.003 1.00 0.00 N ATOM 735 CA VAL A 47 -0.629 -8.315 -0.540 1.00 0.00 C ATOM 736 C VAL A 47 -1.673 -9.432 -0.445 1.00 0.00 C ATOM 737 O VAL A 47 -1.351 -10.572 -0.179 1.00 0.00 O ATOM 738 CB VAL A 47 -0.354 -7.949 -2.001 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.665 -7.546 -2.679 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.629 -6.775 -2.063 1.00 0.00 C ATOM 0 H VAL A 47 1.487 -8.623 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.025 -7.467 0.018 1.00 0.00 H new ATOM 0 HB VAL A 47 0.076 -8.810 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.471 -7.285 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.367 -8.379 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.092 -6.686 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.823 -6.517 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.201 -5.914 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.564 -7.057 -1.579 1.00 0.00 H new ATOM 750 N GLY A 48 -2.922 -9.111 -0.646 1.00 0.00 N ATOM 751 CA GLY A 48 -3.978 -10.157 -0.548 1.00 0.00 C ATOM 752 C GLY A 48 -4.137 -10.552 0.920 1.00 0.00 C ATOM 753 O GLY A 48 -4.472 -11.675 1.242 1.00 0.00 O ATOM 0 H GLY A 48 -3.255 -8.174 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.922 -9.780 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.706 -11.026 -1.147 1.00 0.00 H new ATOM 757 N ASP A 49 -3.888 -9.632 1.813 1.00 0.00 N ATOM 758 CA ASP A 49 -4.009 -9.942 3.265 1.00 0.00 C ATOM 759 C ASP A 49 -5.150 -9.145 3.902 1.00 0.00 C ATOM 760 O ASP A 49 -4.997 -7.986 4.237 1.00 0.00 O ATOM 761 CB ASP A 49 -2.673 -9.507 3.866 1.00 0.00 C ATOM 762 CG ASP A 49 -1.664 -10.652 3.775 1.00 0.00 C ATOM 763 OD1 ASP A 49 -2.033 -11.712 3.296 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.535 -10.450 4.193 1.00 0.00 O ATOM 0 H ASP A 49 -3.605 -8.676 1.597 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.227 -10.996 3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.293 -8.633 3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.811 -9.214 4.907 1.00 0.00 H new ATOM 769 N ALA A 50 -6.289 -9.757 4.083 1.00 0.00 N ATOM 770 CA ALA A 50 -7.425 -9.028 4.716 1.00 0.00 C ATOM 771 C ALA A 50 -7.216 -8.972 6.230 1.00 0.00 C ATOM 772 O ALA A 50 -7.343 -9.962 6.922 1.00 0.00 O ATOM 773 CB ALA A 50 -8.671 -9.834 4.355 1.00 0.00 C ATOM 0 H ALA A 50 -6.481 -10.724 3.822 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.512 -7.998 4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.551 -9.357 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.776 -9.875 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.576 -10.846 4.749 1.00 0.00 H new ATOM 779 N ILE A 51 -6.875 -7.820 6.746 1.00 0.00 N ATOM 780 CA ILE A 51 -6.636 -7.700 8.212 1.00 0.00 C ATOM 781 C ILE A 51 -7.957 -7.646 8.978 1.00 0.00 C ATOM 782 O ILE A 51 -8.867 -6.924 8.622 1.00 0.00 O ATOM 783 CB ILE A 51 -5.876 -6.386 8.390 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.538 -6.467 7.653 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.626 -6.143 9.882 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.770 -5.160 7.852 1.00 0.00 C ATOM 0 H ILE A 51 -6.752 -6.958 6.215 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.082 -8.556 8.597 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.465 -5.565 7.981 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.953 -7.306 8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.705 -6.645 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.084 -5.206 10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.580 -6.086 10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.036 -6.963 10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.816 -5.215 7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.355 -4.330 7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.591 -5.002 8.915 1.00 0.00 H new ATOM 798 N LEU A 52 -8.057 -8.393 10.040 1.00 0.00 N ATOM 799 CA LEU A 52 -9.308 -8.375 10.852 1.00 0.00 C ATOM 800 C LEU A 52 -8.993 -7.946 12.293 1.00 0.00 C ATOM 801 O LEU A 52 -9.847 -7.983 13.157 1.00 0.00 O ATOM 802 CB LEU A 52 -9.834 -9.815 10.827 1.00 0.00 C ATOM 803 CG LEU A 52 -10.578 -10.095 9.513 1.00 0.00 C ATOM 804 CD1 LEU A 52 -11.686 -9.058 9.303 1.00 0.00 C ATOM 805 CD2 LEU A 52 -9.597 -10.032 8.343 1.00 0.00 C ATOM 0 H LEU A 52 -7.327 -9.017 10.383 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.041 -7.672 10.457 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.004 -10.513 10.937 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.503 -9.979 11.672 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.023 -11.089 9.565 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.207 -9.266 8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.393 -9.108 10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.248 -8.061 9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.128 -10.231 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.146 -9.040 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.816 -10.779 8.482 1.00 0.00 H new ATOM 817 N SER A 53 -7.778 -7.532 12.558 1.00 0.00 N ATOM 818 CA SER A 53 -7.418 -7.098 13.934 1.00 0.00 C ATOM 819 C SER A 53 -5.983 -6.566 13.953 1.00 0.00 C ATOM 820 O SER A 53 -5.074 -7.187 13.438 1.00 0.00 O ATOM 821 CB SER A 53 -7.544 -8.347 14.806 1.00 0.00 C ATOM 822 OG SER A 53 -7.679 -7.962 16.166 1.00 0.00 O ATOM 0 H SER A 53 -7.022 -7.478 11.876 1.00 0.00 H new ATOM 0 HA SER A 53 -8.063 -6.297 14.294 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.408 -8.935 14.496 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.666 -8.981 14.682 1.00 0.00 H new ATOM 0 HG SER A 53 -7.762 -8.762 16.726 1.00 0.00 H new ATOM 828 N VAL A 54 -5.773 -5.423 14.544 1.00 0.00 N ATOM 829 CA VAL A 54 -4.395 -4.851 14.601 1.00 0.00 C ATOM 830 C VAL A 54 -4.005 -4.587 16.058 1.00 0.00 C ATOM 831 O VAL A 54 -4.585 -3.756 16.727 1.00 0.00 O ATOM 832 CB VAL A 54 -4.426 -3.535 13.792 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.309 -3.842 12.299 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.724 -2.755 14.030 1.00 0.00 C ATOM 0 H VAL A 54 -6.495 -4.858 14.991 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.658 -5.537 14.184 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.586 -2.926 14.126 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.331 -2.911 11.733 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.370 -4.361 12.107 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.142 -4.474 11.991 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.709 -1.836 13.444 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.575 -3.364 13.727 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.812 -2.509 15.088 1.00 0.00 H new ATOM 844 N ASN A 55 -3.029 -5.300 16.557 1.00 0.00 N ATOM 845 CA ASN A 55 -2.596 -5.113 17.976 1.00 0.00 C ATOM 846 C ASN A 55 -3.755 -5.417 18.929 1.00 0.00 C ATOM 847 O ASN A 55 -3.891 -4.810 19.972 1.00 0.00 O ATOM 848 CB ASN A 55 -2.171 -3.651 18.097 1.00 0.00 C ATOM 849 CG ASN A 55 -0.660 -3.578 18.318 1.00 0.00 C ATOM 850 OD1 ASN A 55 -0.206 -3.042 19.309 1.00 0.00 O ATOM 851 ND2 ASN A 55 0.143 -4.098 17.433 1.00 0.00 N ATOM 0 H ASN A 55 -2.509 -6.009 16.040 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.780 -5.786 18.239 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.444 -3.105 17.194 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.694 -3.176 18.927 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.152 -4.055 17.573 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.238 -4.548 16.601 1.00 0.00 H new ATOM 858 N GLY A 56 -4.588 -6.360 18.580 1.00 0.00 N ATOM 859 CA GLY A 56 -5.732 -6.711 19.467 1.00 0.00 C ATOM 860 C GLY A 56 -6.929 -5.808 19.154 1.00 0.00 C ATOM 861 O GLY A 56 -7.817 -5.641 19.966 1.00 0.00 O ATOM 0 H GLY A 56 -4.525 -6.902 17.718 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.007 -7.756 19.325 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.442 -6.597 20.512 1.00 0.00 H new ATOM 865 N GLU A 57 -6.964 -5.223 17.988 1.00 0.00 N ATOM 866 CA GLU A 57 -8.112 -4.332 17.640 1.00 0.00 C ATOM 867 C GLU A 57 -8.993 -4.988 16.576 1.00 0.00 C ATOM 868 O GLU A 57 -8.834 -4.727 15.403 1.00 0.00 O ATOM 869 CB GLU A 57 -7.470 -3.069 17.073 1.00 0.00 C ATOM 870 CG GLU A 57 -8.297 -1.848 17.482 1.00 0.00 C ATOM 871 CD GLU A 57 -9.630 -1.861 16.731 1.00 0.00 C ATOM 872 OE1 GLU A 57 -9.601 -1.954 15.515 1.00 0.00 O ATOM 873 OE2 GLU A 57 -10.657 -1.778 17.385 1.00 0.00 O ATOM 0 H GLU A 57 -6.253 -5.321 17.264 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.746 -4.128 18.503 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.449 -2.970 17.442 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.411 -3.134 15.987 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.473 -1.858 18.558 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.750 -0.933 17.257 1.00 0.00 H new ATOM 880 N ASP A 58 -9.922 -5.829 16.971 1.00 0.00 N ATOM 881 CA ASP A 58 -10.811 -6.503 15.971 1.00 0.00 C ATOM 882 C ASP A 58 -11.311 -5.504 14.921 1.00 0.00 C ATOM 883 O ASP A 58 -12.258 -4.775 15.140 1.00 0.00 O ATOM 884 CB ASP A 58 -11.980 -7.050 16.789 1.00 0.00 C ATOM 885 CG ASP A 58 -12.642 -5.906 17.559 1.00 0.00 C ATOM 886 OD1 ASP A 58 -11.985 -5.336 18.415 1.00 0.00 O ATOM 887 OD2 ASP A 58 -13.795 -5.620 17.281 1.00 0.00 O ATOM 0 H ASP A 58 -10.102 -6.077 17.944 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.286 -7.287 15.425 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.706 -7.528 16.131 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.627 -7.813 17.483 1.00 0.00 H new ATOM 892 N LEU A 59 -10.670 -5.466 13.784 1.00 0.00 N ATOM 893 CA LEU A 59 -11.089 -4.517 12.715 1.00 0.00 C ATOM 894 C LEU A 59 -12.311 -5.050 11.960 1.00 0.00 C ATOM 895 O LEU A 59 -12.897 -4.356 11.153 1.00 0.00 O ATOM 896 CB LEU A 59 -9.885 -4.427 11.780 1.00 0.00 C ATOM 897 CG LEU A 59 -8.827 -3.512 12.397 1.00 0.00 C ATOM 898 CD1 LEU A 59 -7.511 -3.680 11.639 1.00 0.00 C ATOM 899 CD2 LEU A 59 -9.291 -2.057 12.299 1.00 0.00 C ATOM 0 H LEU A 59 -9.871 -6.055 13.550 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.374 -3.546 13.121 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.468 -5.420 11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.194 -4.040 10.809 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.681 -3.775 13.445 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.754 -3.029 12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.182 -4.717 11.707 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.658 -3.414 10.592 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.537 -1.404 12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.435 -1.791 11.252 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.232 -1.938 12.836 1.00 0.00 H new ATOM 911 N SER A 60 -12.697 -6.277 12.207 1.00 0.00 N ATOM 912 CA SER A 60 -13.882 -6.853 11.497 1.00 0.00 C ATOM 913 C SER A 60 -15.056 -5.868 11.520 1.00 0.00 C ATOM 914 O SER A 60 -15.803 -5.756 10.571 1.00 0.00 O ATOM 915 CB SER A 60 -14.232 -8.120 12.278 1.00 0.00 C ATOM 916 OG SER A 60 -14.970 -7.773 13.440 1.00 0.00 O ATOM 0 H SER A 60 -12.243 -6.905 12.870 1.00 0.00 H new ATOM 0 HA SER A 60 -13.669 -7.061 10.449 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.815 -8.796 11.652 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.322 -8.650 12.558 1.00 0.00 H new ATOM 0 HG SER A 60 -15.195 -8.586 13.939 1.00 0.00 H new ATOM 922 N SER A 61 -15.214 -5.146 12.594 1.00 0.00 N ATOM 923 CA SER A 61 -16.330 -4.161 12.672 1.00 0.00 C ATOM 924 C SER A 61 -15.775 -2.740 12.551 1.00 0.00 C ATOM 925 O SER A 61 -16.322 -1.799 13.092 1.00 0.00 O ATOM 926 CB SER A 61 -16.960 -4.380 14.048 1.00 0.00 C ATOM 927 OG SER A 61 -18.007 -5.334 13.942 1.00 0.00 O ATOM 0 H SER A 61 -14.619 -5.195 13.421 1.00 0.00 H new ATOM 0 HA SER A 61 -17.058 -4.291 11.872 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.206 -4.728 14.754 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.349 -3.439 14.436 1.00 0.00 H new ATOM 0 HG SER A 61 -18.410 -5.476 14.824 1.00 0.00 H new ATOM 933 N ALA A 62 -14.688 -2.580 11.845 1.00 0.00 N ATOM 934 CA ALA A 62 -14.088 -1.224 11.685 1.00 0.00 C ATOM 935 C ALA A 62 -14.048 -0.837 10.205 1.00 0.00 C ATOM 936 O ALA A 62 -13.996 -1.683 9.336 1.00 0.00 O ATOM 937 CB ALA A 62 -12.670 -1.352 12.237 1.00 0.00 C ATOM 0 H ALA A 62 -14.188 -3.332 11.371 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.662 -0.455 12.203 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.160 -0.392 12.155 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.713 -1.652 13.284 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.124 -2.103 11.667 1.00 0.00 H new ATOM 943 N THR A 63 -14.064 0.435 9.913 1.00 0.00 N ATOM 944 CA THR A 63 -14.023 0.874 8.487 1.00 0.00 C ATOM 945 C THR A 63 -12.571 0.970 8.008 1.00 0.00 C ATOM 946 O THR A 63 -11.645 0.858 8.786 1.00 0.00 O ATOM 947 CB THR A 63 -14.684 2.253 8.479 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.273 2.979 9.629 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.205 2.093 8.489 1.00 0.00 C ATOM 0 H THR A 63 -14.104 1.189 10.599 1.00 0.00 H new ATOM 0 HA THR A 63 -14.532 0.175 7.823 1.00 0.00 H new ATOM 0 HB THR A 63 -14.386 2.794 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.694 3.864 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.674 3.077 8.483 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.518 1.536 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.508 1.552 9.385 1.00 0.00 H new ATOM 957 N HIS A 64 -12.363 1.178 6.735 1.00 0.00 N ATOM 958 CA HIS A 64 -10.965 1.281 6.225 1.00 0.00 C ATOM 959 C HIS A 64 -10.211 2.368 6.996 1.00 0.00 C ATOM 960 O HIS A 64 -9.002 2.342 7.096 1.00 0.00 O ATOM 961 CB HIS A 64 -11.098 1.645 4.740 1.00 0.00 C ATOM 962 CG HIS A 64 -9.738 1.932 4.162 1.00 0.00 C ATOM 963 ND1 HIS A 64 -9.196 1.179 3.133 1.00 0.00 N ATOM 964 CD2 HIS A 64 -8.800 2.887 4.461 1.00 0.00 C ATOM 965 CE1 HIS A 64 -7.983 1.690 2.854 1.00 0.00 C ATOM 966 NE2 HIS A 64 -7.692 2.733 3.634 1.00 0.00 N ATOM 0 H HIS A 64 -13.094 1.280 6.031 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.405 0.355 6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.569 0.826 4.196 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.743 2.516 4.626 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.636 0.383 2.671 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.906 3.644 5.224 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.324 1.303 2.091 1.00 0.00 H new ATOM 974 N ASP A 65 -10.913 3.319 7.551 1.00 0.00 N ATOM 975 CA ASP A 65 -10.227 4.395 8.321 1.00 0.00 C ATOM 976 C ASP A 65 -9.818 3.866 9.697 1.00 0.00 C ATOM 977 O ASP A 65 -8.762 4.184 10.208 1.00 0.00 O ATOM 978 CB ASP A 65 -11.265 5.508 8.459 1.00 0.00 C ATOM 979 CG ASP A 65 -11.471 6.185 7.102 1.00 0.00 C ATOM 980 OD1 ASP A 65 -12.286 5.698 6.337 1.00 0.00 O ATOM 981 OD2 ASP A 65 -10.809 7.179 6.852 1.00 0.00 O ATOM 0 H ASP A 65 -11.929 3.397 7.505 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.320 4.748 7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.208 5.097 8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.934 6.240 9.196 1.00 0.00 H new ATOM 986 N GLU A 66 -10.647 3.058 10.298 1.00 0.00 N ATOM 987 CA GLU A 66 -10.313 2.501 11.639 1.00 0.00 C ATOM 988 C GLU A 66 -9.133 1.532 11.529 1.00 0.00 C ATOM 989 O GLU A 66 -8.400 1.321 12.475 1.00 0.00 O ATOM 990 CB GLU A 66 -11.580 1.766 12.081 1.00 0.00 C ATOM 991 CG GLU A 66 -12.570 2.769 12.676 1.00 0.00 C ATOM 992 CD GLU A 66 -12.435 2.776 14.200 1.00 0.00 C ATOM 993 OE1 GLU A 66 -11.316 2.690 14.677 1.00 0.00 O ATOM 994 OE2 GLU A 66 -13.454 2.869 14.865 1.00 0.00 O ATOM 0 H GLU A 66 -11.544 2.759 9.917 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.020 3.272 12.351 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.031 1.254 11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.332 1.003 12.818 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.378 3.766 12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.588 2.504 12.392 1.00 0.00 H new ATOM 1001 N ALA A 67 -8.943 0.940 10.380 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.810 -0.016 10.212 1.00 0.00 C ATOM 1003 C ALA A 67 -6.508 0.742 9.933 1.00 0.00 C ATOM 1004 O ALA A 67 -5.454 0.378 10.415 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.195 -0.880 9.012 1.00 0.00 C ATOM 0 H ALA A 67 -9.522 1.077 9.552 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.641 -0.613 11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.409 -1.611 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.130 -1.399 9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.320 -0.247 8.133 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.568 1.792 9.158 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.325 2.562 8.855 1.00 0.00 C ATOM 1013 C VAL A 68 -4.911 3.362 10.091 1.00 0.00 C ATOM 1014 O VAL A 68 -3.750 3.656 10.294 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.676 3.518 7.702 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.385 4.099 7.123 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.424 2.785 6.584 1.00 0.00 C ATOM 0 H VAL A 68 -7.419 2.149 8.723 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.500 1.905 8.582 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.316 4.308 8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.626 4.778 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.850 4.644 7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.757 3.290 6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.659 3.486 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.798 1.983 6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.348 2.364 6.980 1.00 0.00 H new ATOM 1027 N GLN A 69 -5.857 3.713 10.922 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.520 4.490 12.147 1.00 0.00 C ATOM 1029 C GLN A 69 -4.651 3.641 13.075 1.00 0.00 C ATOM 1030 O GLN A 69 -3.726 4.130 13.693 1.00 0.00 O ATOM 1031 CB GLN A 69 -6.863 4.805 12.804 1.00 0.00 C ATOM 1032 CG GLN A 69 -7.218 6.273 12.557 1.00 0.00 C ATOM 1033 CD GLN A 69 -7.888 6.853 13.803 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -7.228 7.407 14.660 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -9.181 6.747 13.942 1.00 0.00 N ATOM 0 H GLN A 69 -6.846 3.495 10.804 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.960 5.398 11.923 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.640 4.158 12.397 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.812 4.607 13.875 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.319 6.840 12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.886 6.357 11.700 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.735 6.282 13.223 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.638 7.129 14.770 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.927 2.367 13.167 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.099 1.497 14.041 1.00 0.00 C ATOM 1046 C ALA A 70 -2.719 1.339 13.409 1.00 0.00 C ATOM 1047 O ALA A 70 -1.703 1.516 14.049 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.835 0.159 14.078 1.00 0.00 C ATOM 0 H ALA A 70 -5.687 1.896 12.676 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.961 1.901 15.044 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.285 -0.542 14.706 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.835 0.305 14.487 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.911 -0.242 13.067 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.685 1.025 12.143 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.383 0.872 11.443 1.00 0.00 C ATOM 1056 C LEU A 71 -0.599 2.186 11.519 1.00 0.00 C ATOM 1057 O LEU A 71 0.610 2.207 11.400 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.752 0.538 9.993 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.530 -0.780 9.953 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -2.853 -1.136 8.501 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -1.688 -1.895 10.576 1.00 0.00 C ATOM 0 H LEU A 71 -3.509 0.867 11.562 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.754 0.100 11.885 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.354 1.340 9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.850 0.458 9.386 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.456 -0.670 10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.407 -2.074 8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.457 -0.344 8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.926 -1.244 7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.245 -2.832 10.546 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.760 -2.006 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.459 -1.643 11.611 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.279 3.283 11.725 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.575 4.593 11.818 1.00 0.00 C ATOM 1075 C LYS A 72 0.026 4.756 13.215 1.00 0.00 C ATOM 1076 O LYS A 72 1.163 5.155 13.374 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.659 5.643 11.571 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.025 7.035 11.534 1.00 0.00 C ATOM 1079 CD LYS A 72 -2.123 8.098 11.614 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.663 9.362 10.884 1.00 0.00 C ATOM 1081 NZ LYS A 72 -2.785 9.700 9.963 1.00 0.00 N ATOM 0 H LYS A 72 -2.292 3.327 11.833 1.00 0.00 H new ATOM 0 HA LYS A 72 0.243 4.682 11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.169 5.439 10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.412 5.596 12.358 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.330 7.152 12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.449 7.160 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.043 7.721 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.347 8.328 12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.468 10.174 11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.739 9.187 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.546 10.557 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.943 8.911 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.650 9.868 10.516 1.00 0.00 H new ATOM 1095 N LYS A 73 -0.732 4.441 14.230 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.213 4.563 15.621 1.00 0.00 C ATOM 1097 C LYS A 73 -0.076 3.172 16.245 1.00 0.00 C ATOM 1098 O LYS A 73 -0.686 2.868 17.251 1.00 0.00 O ATOM 1099 CB LYS A 73 -1.266 5.388 16.364 1.00 0.00 C ATOM 1100 CG LYS A 73 -0.898 5.469 17.847 1.00 0.00 C ATOM 1101 CD LYS A 73 -0.996 6.921 18.319 1.00 0.00 C ATOM 1102 CE LYS A 73 -0.588 7.006 19.791 1.00 0.00 C ATOM 1103 NZ LYS A 73 0.336 8.172 19.865 1.00 0.00 N ATOM 0 H LYS A 73 -1.692 4.103 14.155 1.00 0.00 H new ATOM 0 HA LYS A 73 0.770 5.032 15.663 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.326 6.390 15.938 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.249 4.933 16.247 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.567 4.839 18.433 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.113 5.092 18.003 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.349 7.556 17.714 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.014 7.289 18.191 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.456 7.148 20.434 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.096 6.090 20.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.660 8.296 20.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.156 8.005 19.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.162 9.030 19.554 1.00 0.00 H new ATOM 1117 N THR A 74 0.719 2.323 15.652 1.00 0.00 N ATOM 1118 CA THR A 74 0.891 0.950 16.207 1.00 0.00 C ATOM 1119 C THR A 74 1.835 0.980 17.412 1.00 0.00 C ATOM 1120 O THR A 74 2.415 1.997 17.736 1.00 0.00 O ATOM 1121 CB THR A 74 1.503 0.129 15.068 1.00 0.00 C ATOM 1122 OG1 THR A 74 2.810 0.611 14.788 1.00 0.00 O ATOM 1123 CG2 THR A 74 0.634 0.250 13.816 1.00 0.00 C ATOM 0 H THR A 74 1.256 2.521 14.808 1.00 0.00 H new ATOM 0 HA THR A 74 -0.052 0.526 16.551 1.00 0.00 H new ATOM 0 HB THR A 74 1.556 -0.918 15.367 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.141 0.198 13.963 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.074 -0.336 13.009 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.367 -0.123 14.031 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.575 1.296 13.514 1.00 0.00 H new ATOM 1131 N GLY A 75 1.992 -0.132 18.077 1.00 0.00 N ATOM 1132 CA GLY A 75 2.897 -0.176 19.260 1.00 0.00 C ATOM 1133 C GLY A 75 4.242 -0.784 18.847 1.00 0.00 C ATOM 1134 O GLY A 75 4.513 -0.968 17.677 1.00 0.00 O ATOM 0 H GLY A 75 1.531 -1.014 17.851 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.045 0.829 19.656 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.446 -0.769 20.056 1.00 0.00 H new ATOM 1138 N LYS A 76 5.092 -1.098 19.795 1.00 0.00 N ATOM 1139 CA LYS A 76 6.419 -1.694 19.449 1.00 0.00 C ATOM 1140 C LYS A 76 6.245 -2.848 18.455 1.00 0.00 C ATOM 1141 O LYS A 76 6.871 -2.884 17.415 1.00 0.00 O ATOM 1142 CB LYS A 76 6.977 -2.207 20.777 1.00 0.00 C ATOM 1143 CG LYS A 76 8.329 -2.880 20.538 1.00 0.00 C ATOM 1144 CD LYS A 76 9.421 -2.112 21.288 1.00 0.00 C ATOM 1145 CE LYS A 76 10.568 -3.065 21.632 1.00 0.00 C ATOM 1146 NZ LYS A 76 11.659 -2.707 20.682 1.00 0.00 N ATOM 0 H LYS A 76 4.923 -0.967 20.792 1.00 0.00 H new ATOM 0 HA LYS A 76 7.085 -0.972 18.976 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.089 -1.381 21.479 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.281 -2.915 21.226 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.298 -3.915 20.879 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.553 -2.903 19.471 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.789 -1.289 20.675 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.013 -1.673 22.198 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.888 -2.941 22.667 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.266 -4.106 21.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.483 -3.317 20.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.327 -2.841 19.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.929 -1.713 20.823 1.00 0.00 H new ATOM 1160 N GLU A 77 5.391 -3.785 18.764 1.00 0.00 N ATOM 1161 CA GLU A 77 5.168 -4.927 17.831 1.00 0.00 C ATOM 1162 C GLU A 77 3.797 -4.789 17.161 1.00 0.00 C ATOM 1163 O GLU A 77 2.773 -4.804 17.814 1.00 0.00 O ATOM 1164 CB GLU A 77 5.231 -6.185 18.709 1.00 0.00 C ATOM 1165 CG GLU A 77 4.051 -6.207 19.686 1.00 0.00 C ATOM 1166 CD GLU A 77 4.521 -6.730 21.045 1.00 0.00 C ATOM 1167 OE1 GLU A 77 4.965 -7.865 21.099 1.00 0.00 O ATOM 1168 OE2 GLU A 77 4.428 -5.987 22.008 1.00 0.00 O ATOM 0 H GLU A 77 4.838 -3.810 19.621 1.00 0.00 H new ATOM 0 HA GLU A 77 5.908 -4.965 17.032 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.210 -7.076 18.082 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.170 -6.205 19.261 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.636 -5.205 19.794 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.255 -6.841 19.296 1.00 0.00 H new ATOM 1175 N VAL A 78 3.764 -4.642 15.865 1.00 0.00 N ATOM 1176 CA VAL A 78 2.453 -4.491 15.174 1.00 0.00 C ATOM 1177 C VAL A 78 1.815 -5.858 14.915 1.00 0.00 C ATOM 1178 O VAL A 78 1.849 -6.367 13.812 1.00 0.00 O ATOM 1179 CB VAL A 78 2.775 -3.792 13.855 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.477 -3.506 13.099 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.499 -2.475 14.141 1.00 0.00 C ATOM 0 H VAL A 78 4.583 -4.620 15.258 1.00 0.00 H new ATOM 0 HA VAL A 78 1.741 -3.924 15.775 1.00 0.00 H new ATOM 0 HB VAL A 78 3.414 -4.435 13.249 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.707 -3.007 12.158 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.960 -4.444 12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.838 -2.863 13.704 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.730 -1.975 13.200 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.860 -1.832 14.746 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.424 -2.678 14.680 1.00 0.00 H new ATOM 1191 N VAL A 79 1.217 -6.452 15.915 1.00 0.00 N ATOM 1192 CA VAL A 79 0.562 -7.774 15.703 1.00 0.00 C ATOM 1193 C VAL A 79 -0.656 -7.568 14.805 1.00 0.00 C ATOM 1194 O VAL A 79 -1.610 -6.922 15.187 1.00 0.00 O ATOM 1195 CB VAL A 79 0.126 -8.251 17.094 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.336 -9.707 17.008 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.295 -8.148 18.078 1.00 0.00 C ATOM 0 H VAL A 79 1.155 -6.081 16.863 1.00 0.00 H new ATOM 0 HA VAL A 79 1.221 -8.503 15.230 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.692 -7.622 17.446 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.647 -10.049 17.995 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.176 -9.782 16.317 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.485 -10.329 16.650 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.973 -8.489 19.062 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.120 -8.770 17.730 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.625 -7.111 18.144 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.628 -8.078 13.608 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.785 -7.860 12.695 1.00 0.00 C ATOM 1209 C LEU A 80 -2.430 -9.180 12.267 1.00 0.00 C ATOM 1210 O LEU A 80 -1.833 -9.981 11.574 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.178 -7.139 11.487 1.00 0.00 C ATOM 1212 CG LEU A 80 -1.413 -5.621 11.586 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -1.041 -5.107 12.981 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -0.539 -4.909 10.551 1.00 0.00 C ATOM 0 H LEU A 80 0.137 -8.632 13.223 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.580 -7.290 13.177 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.109 -7.344 11.434 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.622 -7.522 10.568 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.468 -5.418 11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.214 -4.032 13.031 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.655 -5.608 13.729 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.011 -5.314 13.177 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.701 -3.833 10.616 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.510 -5.130 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.803 -5.256 9.552 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.662 -9.394 12.648 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.362 -10.639 12.228 1.00 0.00 C ATOM 1228 C GLU A 81 -4.711 -10.501 10.749 1.00 0.00 C ATOM 1229 O GLU A 81 -5.259 -9.501 10.332 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.627 -10.707 13.084 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.203 -12.123 13.025 1.00 0.00 C ATOM 1232 CD GLU A 81 -5.364 -13.052 13.905 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -4.224 -12.709 14.175 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -5.874 -14.090 14.293 1.00 0.00 O ATOM 0 H GLU A 81 -4.211 -8.761 13.230 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.763 -11.541 12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.397 -10.439 14.115 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.363 -9.988 12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.239 -12.120 13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.206 -12.483 11.996 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.366 -11.463 9.943 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.648 -11.330 8.485 1.00 0.00 C ATOM 1243 C VAL A 82 -5.412 -12.535 7.933 1.00 0.00 C ATOM 1244 O VAL A 82 -5.260 -13.651 8.379 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.257 -11.215 7.833 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.333 -12.318 8.352 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.363 -11.348 6.315 1.00 0.00 C ATOM 0 H VAL A 82 -3.905 -12.328 10.225 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.284 -10.469 8.277 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.849 -10.237 8.089 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.354 -12.224 7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.227 -12.225 9.433 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.758 -13.292 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.371 -11.264 5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.792 -12.318 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.003 -10.557 5.924 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.202 -12.297 6.923 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.958 -13.395 6.266 1.00 0.00 C ATOM 1259 C LYS A 83 -6.442 -13.514 4.832 1.00 0.00 C ATOM 1260 O LYS A 83 -6.975 -12.918 3.917 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.423 -12.955 6.286 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.311 -14.121 5.846 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.637 -13.580 5.306 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.440 -14.725 4.686 1.00 0.00 C ATOM 1265 NZ LYS A 83 -11.830 -15.588 5.837 1.00 0.00 N ATOM 0 H LYS A 83 -6.357 -11.373 6.520 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.845 -14.361 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.702 -12.629 7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.567 -12.103 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.806 -14.707 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.495 -14.789 6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.207 -13.116 6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.450 -12.807 4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.317 -14.351 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.843 -15.279 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.660 -16.158 5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.040 -16.218 6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.063 -14.990 6.656 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.379 -14.244 4.641 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.791 -14.368 3.275 1.00 0.00 C ATOM 1281 C TYR A 84 -5.854 -14.772 2.252 1.00 0.00 C ATOM 1282 O TYR A 84 -6.592 -15.718 2.445 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.725 -15.465 3.393 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.491 -15.150 2.558 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.510 -14.165 1.554 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.309 -15.859 2.807 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.355 -13.899 0.812 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.156 -15.593 2.063 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.177 -14.611 1.067 1.00 0.00 C ATOM 1290 OH TYR A 84 0.963 -14.345 0.335 1.00 0.00 O ATOM 0 H TYR A 84 -4.890 -14.761 5.372 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.374 -13.421 2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.437 -15.580 4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.147 -16.417 3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.417 -13.614 1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.288 -16.615 3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.372 -13.143 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.751 -16.146 2.257 1.00 0.00 H new ATOM 0 HH TYR A 84 1.497 -13.666 0.797 1.00 0.00 H new ATOM 1300 N MET A 85 -5.920 -14.070 1.156 1.00 0.00 N ATOM 1301 CA MET A 85 -6.916 -14.418 0.103 1.00 0.00 C ATOM 1302 C MET A 85 -6.183 -14.859 -1.166 1.00 0.00 C ATOM 1303 O MET A 85 -6.431 -14.361 -2.246 1.00 0.00 O ATOM 1304 CB MET A 85 -7.712 -13.135 -0.147 1.00 0.00 C ATOM 1305 CG MET A 85 -8.716 -12.932 0.989 1.00 0.00 C ATOM 1306 SD MET A 85 -10.119 -11.958 0.392 1.00 0.00 S ATOM 1307 CE MET A 85 -10.589 -11.241 1.985 1.00 0.00 C ATOM 0 H MET A 85 -5.326 -13.268 0.943 1.00 0.00 H new ATOM 0 HA MET A 85 -7.571 -15.236 0.402 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.037 -12.281 -0.208 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.234 -13.198 -1.102 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.062 -13.897 1.359 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.236 -12.423 1.825 1.00 0.00 H new ATOM 0 HE1 MET A 85 -11.628 -11.488 2.203 1.00 0.00 H new ATOM 0 HE2 MET A 85 -9.948 -11.644 2.769 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.475 -10.158 1.944 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.276 -15.789 -1.037 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.516 -16.263 -2.230 1.00 0.00 C ATOM 1319 C LYS A 86 -5.411 -17.128 -3.122 1.00 0.00 C ATOM 1320 O LYS A 86 -6.607 -16.884 -3.144 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.357 -17.090 -1.670 1.00 0.00 C ATOM 1322 CG LYS A 86 -3.905 -18.199 -0.771 1.00 0.00 C ATOM 1323 CD LYS A 86 -3.276 -19.535 -1.168 1.00 0.00 C ATOM 1324 CE LYS A 86 -4.316 -20.648 -1.025 1.00 0.00 C ATOM 1325 NZ LYS A 86 -4.567 -20.744 0.441 1.00 0.00 N ATOM 1326 OXT LYS A 86 -4.886 -18.021 -3.767 1.00 0.00 O ATOM 0 H LYS A 86 -5.028 -16.241 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.162 -15.434 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.778 -17.522 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.681 -16.450 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.685 -17.977 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.990 -18.254 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.915 -19.489 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.413 -19.745 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.230 -20.408 -1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.945 -21.591 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.033 -21.649 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.663 -20.690 0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.181 -19.960 0.740 1.00 0.00 H new ATOM 1341 N LYS B 3 -11.054 2.572 -1.060 1.00 0.00 N ATOM 1342 CA LYS B 3 -10.083 3.387 -0.274 1.00 0.00 C ATOM 1343 C LYS B 3 -8.699 2.733 -0.303 1.00 0.00 C ATOM 1344 O LYS B 3 -8.520 1.620 0.149 1.00 0.00 O ATOM 1345 CB LYS B 3 -10.637 3.400 1.151 1.00 0.00 C ATOM 1346 CG LYS B 3 -9.998 4.546 1.938 1.00 0.00 C ATOM 1347 CD LYS B 3 -10.919 4.951 3.091 1.00 0.00 C ATOM 1348 CE LYS B 3 -10.402 6.242 3.728 1.00 0.00 C ATOM 1349 NZ LYS B 3 -11.603 7.117 3.848 1.00 0.00 N ATOM 0 HA LYS B 3 -9.969 4.393 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -11.720 3.519 1.130 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.430 2.449 1.641 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -9.027 4.238 2.326 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.823 5.399 1.282 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -11.936 5.095 2.725 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -10.958 4.156 3.836 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -9.954 6.050 4.703 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -9.634 6.707 3.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -11.303 8.092 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -12.138 7.097 2.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -12.207 6.773 4.622 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.718 3.417 -0.826 1.00 0.00 N ATOM 1364 CA GLU B 4 -6.346 2.833 -0.878 1.00 0.00 C ATOM 1365 C GLU B 4 -5.361 3.734 -0.131 1.00 0.00 C ATOM 1366 O GLU B 4 -4.826 4.677 -0.680 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.996 2.771 -2.365 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.697 1.983 -2.550 1.00 0.00 C ATOM 1369 CD GLU B 4 -4.086 2.323 -3.911 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -3.305 3.258 -3.971 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -4.410 1.642 -4.870 1.00 0.00 O ATOM 0 H GLU B 4 -7.806 4.354 -1.219 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.297 1.851 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.805 2.296 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.883 3.778 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -3.995 2.226 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -4.895 0.913 -2.485 1.00 0.00 H new ATOM 1378 N SER B 5 -5.118 3.453 1.121 1.00 0.00 N ATOM 1379 CA SER B 5 -4.170 4.296 1.904 1.00 0.00 C ATOM 1380 C SER B 5 -2.750 3.731 1.809 1.00 0.00 C ATOM 1381 O SER B 5 -2.473 2.849 1.021 1.00 0.00 O ATOM 1382 CB SER B 5 -4.675 4.227 3.345 1.00 0.00 C ATOM 1383 OG SER B 5 -4.785 5.541 3.871 1.00 0.00 O ATOM 0 H SER B 5 -5.535 2.677 1.635 1.00 0.00 H new ATOM 0 HA SER B 5 -4.129 5.320 1.532 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.643 3.728 3.379 1.00 0.00 H new ATOM 0 HB3 SER B 5 -3.991 3.636 3.954 1.00 0.00 H new ATOM 0 HG SER B 5 -5.600 5.610 4.411 1.00 0.00 H new ATOM 1389 N LEU B 6 -1.850 4.236 2.608 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.447 3.734 2.568 1.00 0.00 C ATOM 1391 C LEU B 6 0.256 4.042 3.898 1.00 0.00 C ATOM 1392 O LEU B 6 0.789 5.117 4.095 1.00 0.00 O ATOM 1393 CB LEU B 6 0.203 4.490 1.393 1.00 0.00 C ATOM 1394 CG LEU B 6 1.739 4.449 1.480 1.00 0.00 C ATOM 1395 CD1 LEU B 6 2.220 3.016 1.726 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.332 4.963 0.166 1.00 0.00 C ATOM 0 H LEU B 6 -2.026 4.976 3.288 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.382 2.655 2.431 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.121 4.049 0.451 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.135 5.526 1.393 1.00 0.00 H new ATOM 0 HG LEU B 6 2.065 5.078 2.308 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.308 3.003 1.785 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.801 2.647 2.662 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.893 2.377 0.906 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.420 4.936 0.223 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.996 4.332 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.003 5.988 -0.005 1.00 0.00 H new ATOM 1408 N VAL B 7 0.263 3.106 4.809 1.00 0.00 N ATOM 1409 CA VAL B 7 0.935 3.348 6.117 1.00 0.00 C ATOM 1410 C VAL B 7 2.413 2.958 6.029 1.00 0.00 C ATOM 1411 O VAL B 7 3.185 3.448 6.838 1.00 0.00 O ATOM 1412 CB VAL B 7 0.201 2.447 7.110 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.844 2.583 8.490 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.269 2.861 7.188 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.748 2.177 5.154 1.00 0.00 O ATOM 0 H VAL B 7 -0.167 2.187 4.704 1.00 0.00 H new ATOM 0 HA VAL B 7 0.899 4.396 6.414 1.00 0.00 H new ATOM 0 HB VAL B 7 0.267 1.411 6.778 1.00 0.00 H new ATOM 0 HG11 VAL B 7 0.322 1.941 9.200 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.891 2.286 8.434 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.778 3.619 8.822 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -1.791 2.218 7.896 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.338 3.897 7.520 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.727 2.764 6.204 1.00 0.00 H new