USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 59 ASN : amide:sc= 0 X(o=0.69,f=0.44) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -172:sc= 0.69 (180deg=0.515) USER MOD Set 2.1: A 41 MET CE :methyl -165:sc= -0.801 (180deg=-1.03) USER MOD Set 2.2: A 76 MET CE :methyl 163:sc= -0.697 (180deg=-0.638) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -1.12 (180deg=-4.43!) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 162:sc= 0.00611 (180deg=-0.432) USER MOD Set 3.2: A 32 GLN : amide:sc= 1.04 K(o=0.96,f=-2.8) USER MOD Set 3.3: A 40 LYS NZ :NH3+ 178:sc= -0.0878 (180deg=-0.22) USER MOD Single : A 1 ALA N :NH3+ -176:sc= 1.93 (180deg=1.79) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 8 LYS NZ :NH3+ 175:sc=-0.00419 (180deg=-0.0489) USER MOD Single : A 9 SER OG : rot 87:sc= 1.01 USER MOD Single : A 19 SER OG : rot 58:sc= 0.606 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0.891 (180deg=0.846) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0.691 (180deg=0.662) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= 0.736 (180deg=0.437) USER MOD Single : A 44 TYR OH : rot 33:sc= 1.16 USER MOD Single : A 48 SER OG : rot -36:sc= 0.987 USER MOD Single : A 49 TYR OH : rot 174:sc= 1.24 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 167:sc= -2.77 (180deg=-3.73) USER MOD Single : A 58 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 SER OG : rot -87:sc= 1.04 USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= 0.258 (180deg=-0.0873) USER MOD Single : A 75 TYR OH : rot -52:sc= 1.02 USER MOD Single : A 77 SER OG : rot 78:sc= 1.24 USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= 0.217 (180deg=-0.0233) USER MOD Single : A 80 HEM CMB :methyl -30:sc= -1.4 (180deg=-1.79) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.509 (180deg=-0.509) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.258 (180deg=-4.09!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.221 -12.603 -3.737 1.00 0.00 N ATOM 2 CA ALA A 1 -2.206 -13.182 -4.632 1.00 0.00 C ATOM 3 C ALA A 1 -0.827 -12.838 -4.067 1.00 0.00 C ATOM 4 O ALA A 1 -0.768 -12.380 -2.930 1.00 0.00 O ATOM 5 CB ALA A 1 -2.392 -12.672 -6.067 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.169 -12.880 -4.062 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.071 -12.953 -2.769 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.141 -11.566 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.310 -14.266 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.631 -13.113 -6.711 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.381 -12.954 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.296 -11.586 -6.083 1.00 0.00 H new ATOM 6 N ASP A 2 0.255 -13.029 -4.825 1.00 0.00 N ATOM 7 CA ASP A 2 1.606 -12.751 -4.351 1.00 0.00 C ATOM 8 C ASP A 2 1.787 -11.284 -3.959 1.00 0.00 C ATOM 9 O ASP A 2 1.660 -10.403 -4.806 1.00 0.00 O ATOM 10 CB ASP A 2 2.606 -13.094 -5.453 1.00 0.00 C ATOM 11 CG ASP A 2 4.027 -13.088 -4.909 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.546 -11.969 -4.715 1.00 0.00 O ATOM 13 OD2 ASP A 2 4.553 -14.194 -4.671 1.00 0.00 O ATOM 0 H ASP A 2 0.216 -13.380 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 2 1.778 -13.361 -3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.374 -14.075 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.520 -12.374 -6.267 1.00 0.00 H new ATOM 14 N GLY A 3 2.118 -11.024 -2.693 1.00 0.00 N ATOM 15 CA GLY A 3 2.325 -9.674 -2.199 1.00 0.00 C ATOM 16 C GLY A 3 3.406 -8.940 -2.990 1.00 0.00 C ATOM 17 O GLY A 3 3.160 -7.858 -3.514 1.00 0.00 O ATOM 0 H GLY A 3 2.249 -11.748 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.390 -9.118 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.607 -9.711 -1.147 1.00 0.00 H new ATOM 18 N ALA A 4 4.603 -9.523 -3.091 1.00 0.00 N ATOM 19 CA ALA A 4 5.703 -8.907 -3.821 1.00 0.00 C ATOM 20 C ALA A 4 5.294 -8.569 -5.253 1.00 0.00 C ATOM 21 O ALA A 4 5.546 -7.455 -5.709 1.00 0.00 O ATOM 22 CB ALA A 4 6.929 -9.826 -3.807 1.00 0.00 C ATOM 0 H ALA A 4 4.831 -10.425 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 4 5.963 -7.973 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.744 -9.354 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.240 -10.003 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.677 -10.776 -4.278 1.00 0.00 H new ATOM 23 N ALA A 5 4.655 -9.508 -5.957 1.00 0.00 N ATOM 24 CA ALA A 5 4.236 -9.271 -7.328 1.00 0.00 C ATOM 25 C ALA A 5 3.238 -8.121 -7.358 1.00 0.00 C ATOM 26 O ALA A 5 3.442 -7.168 -8.107 1.00 0.00 O ATOM 27 CB ALA A 5 3.626 -10.526 -7.952 1.00 0.00 C ATOM 0 H ALA A 5 4.421 -10.433 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 5 5.114 -9.009 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.324 -10.312 -8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.364 -11.328 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.755 -10.833 -7.374 1.00 0.00 H new ATOM 28 N LEU A 6 2.174 -8.182 -6.545 1.00 0.00 N ATOM 29 CA LEU A 6 1.190 -7.130 -6.517 1.00 0.00 C ATOM 30 C LEU A 6 1.860 -5.772 -6.288 1.00 0.00 C ATOM 31 O LEU A 6 1.604 -4.833 -7.047 1.00 0.00 O ATOM 32 CB LEU A 6 0.197 -7.459 -5.404 1.00 0.00 C ATOM 33 CG LEU A 6 -0.756 -8.624 -5.710 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.448 -9.040 -4.407 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.814 -8.233 -6.745 1.00 0.00 C ATOM 0 H LEU A 6 1.987 -8.954 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 6 0.667 -7.065 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.755 -7.694 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.396 -6.570 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.176 -9.449 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.130 -9.867 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.698 -9.354 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.009 -8.195 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.469 -9.083 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.404 -7.399 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.324 -7.938 -7.673 1.00 0.00 H new ATOM 36 N TYR A 7 2.751 -5.671 -5.289 1.00 0.00 N ATOM 37 CA TYR A 7 3.385 -4.399 -4.980 1.00 0.00 C ATOM 38 C TYR A 7 4.208 -3.815 -6.135 1.00 0.00 C ATOM 39 O TYR A 7 4.488 -2.615 -6.122 1.00 0.00 O ATOM 40 CB TYR A 7 4.202 -4.492 -3.684 1.00 0.00 C ATOM 41 CG TYR A 7 4.335 -3.163 -2.949 1.00 0.00 C ATOM 42 CD1 TYR A 7 3.183 -2.407 -2.646 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.578 -2.742 -2.443 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.280 -1.196 -1.945 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.670 -1.535 -1.726 1.00 0.00 C ATOM 46 CZ TYR A 7 4.541 -0.717 -1.564 1.00 0.00 C ATOM 47 OH TYR A 7 4.658 0.488 -0.942 1.00 0.00 O ATOM 0 H TYR A 7 3.039 -6.448 -4.694 1.00 0.00 H new ATOM 0 HA TYR A 7 2.573 -3.688 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.734 -5.219 -3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.197 -4.869 -3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.213 -2.766 -2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.460 -3.344 -2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.389 -0.636 -1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.615 -1.236 -1.298 1.00 0.00 H new ATOM 0 HH TYR A 7 5.602 0.665 -0.747 1.00 0.00 H new ATOM 48 N LYS A 8 4.584 -4.602 -7.152 1.00 0.00 N ATOM 49 CA LYS A 8 5.323 -4.046 -8.286 1.00 0.00 C ATOM 50 C LYS A 8 4.515 -2.901 -8.915 1.00 0.00 C ATOM 51 O LYS A 8 5.080 -1.895 -9.337 1.00 0.00 O ATOM 52 CB LYS A 8 5.606 -5.116 -9.348 1.00 0.00 C ATOM 53 CG LYS A 8 6.564 -6.198 -8.836 1.00 0.00 C ATOM 54 CD LYS A 8 6.741 -7.339 -9.849 1.00 0.00 C ATOM 55 CE LYS A 8 7.319 -6.892 -11.199 1.00 0.00 C ATOM 56 NZ LYS A 8 8.605 -6.188 -11.046 1.00 0.00 N ATOM 0 H LYS A 8 4.393 -5.602 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 8 6.278 -3.671 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.668 -5.579 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.033 -4.644 -10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.534 -5.750 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.185 -6.603 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.396 -8.096 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.775 -7.814 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.457 -7.763 -11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.605 -6.238 -11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.000 -5.979 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.455 -5.299 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.269 -6.789 -10.517 1.00 0.00 H new ATOM 57 N SER A 9 3.183 -3.029 -8.921 1.00 0.00 N ATOM 58 CA SER A 9 2.261 -2.044 -9.472 1.00 0.00 C ATOM 59 C SER A 9 2.242 -0.731 -8.670 1.00 0.00 C ATOM 60 O SER A 9 1.590 0.227 -9.075 1.00 0.00 O ATOM 61 CB SER A 9 0.848 -2.655 -9.476 1.00 0.00 C ATOM 62 OG SER A 9 0.886 -4.065 -9.623 1.00 0.00 O ATOM 0 H SER A 9 2.710 -3.844 -8.531 1.00 0.00 H new ATOM 0 HA SER A 9 2.595 -1.797 -10.480 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.339 -2.400 -8.547 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.266 -2.220 -10.288 1.00 0.00 H new ATOM 0 HG SER A 9 0.976 -4.484 -8.741 1.00 0.00 H new ATOM 63 N CYS A 10 2.929 -0.697 -7.526 1.00 0.00 N ATOM 64 CA CYS A 10 2.989 0.387 -6.561 1.00 0.00 C ATOM 65 C CYS A 10 4.399 0.959 -6.479 1.00 0.00 C ATOM 66 O CYS A 10 4.591 2.168 -6.320 1.00 0.00 O ATOM 67 CB CYS A 10 2.591 -0.221 -5.212 1.00 0.00 C ATOM 68 SG CYS A 10 1.260 -1.464 -5.284 1.00 0.00 S ATOM 0 H CYS A 10 3.499 -1.491 -7.234 1.00 0.00 H new ATOM 0 HA CYS A 10 2.326 1.203 -6.848 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.472 -0.681 -4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.279 0.584 -4.547 1.00 0.00 H new ATOM 69 N ILE A 11 5.387 0.066 -6.597 1.00 0.00 N ATOM 70 CA ILE A 11 6.812 0.362 -6.553 1.00 0.00 C ATOM 71 C ILE A 11 7.161 1.569 -7.435 1.00 0.00 C ATOM 72 O ILE A 11 8.078 2.315 -7.109 1.00 0.00 O ATOM 73 CB ILE A 11 7.593 -0.929 -6.901 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.709 -1.174 -5.878 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.204 -0.909 -8.310 1.00 0.00 C ATOM 76 CD1 ILE A 11 8.168 -1.642 -4.518 1.00 0.00 C ATOM 0 H ILE A 11 5.200 -0.928 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 11 7.111 0.665 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 11 6.862 -1.737 -6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.398 -1.923 -6.269 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.281 -0.256 -5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.737 -1.843 -8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.411 -0.797 -9.049 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.899 -0.073 -8.394 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.999 -1.801 -3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.501 -0.882 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.620 -2.575 -4.646 1.00 0.00 H new ATOM 77 N GLY A 12 6.428 1.780 -8.535 1.00 0.00 N ATOM 78 CA GLY A 12 6.632 2.918 -9.419 1.00 0.00 C ATOM 79 C GLY A 12 6.607 4.244 -8.647 1.00 0.00 C ATOM 80 O GLY A 12 7.424 5.122 -8.909 1.00 0.00 O ATOM 0 H GLY A 12 5.675 1.159 -8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.587 2.814 -9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.857 2.928 -10.185 1.00 0.00 H new ATOM 81 N CYS A 13 5.667 4.393 -7.704 1.00 0.00 N ATOM 82 CA CYS A 13 5.548 5.595 -6.878 1.00 0.00 C ATOM 83 C CYS A 13 6.336 5.420 -5.583 1.00 0.00 C ATOM 84 O CYS A 13 7.046 6.325 -5.155 1.00 0.00 O ATOM 85 CB CYS A 13 4.088 5.873 -6.485 1.00 0.00 C ATOM 86 SG CYS A 13 3.060 6.811 -7.642 1.00 0.00 S ATOM 0 H CYS A 13 4.968 3.680 -7.495 1.00 0.00 H new ATOM 0 HA CYS A 13 5.934 6.424 -7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.601 4.914 -6.308 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.094 6.407 -5.535 1.00 0.00 H new ATOM 87 N HIS A 14 6.173 4.261 -4.942 1.00 0.00 N ATOM 88 CA HIS A 14 6.768 3.957 -3.645 1.00 0.00 C ATOM 89 C HIS A 14 8.291 3.779 -3.639 1.00 0.00 C ATOM 90 O HIS A 14 8.911 3.931 -2.585 1.00 0.00 O ATOM 91 CB HIS A 14 6.035 2.729 -3.094 1.00 0.00 C ATOM 92 CG HIS A 14 4.652 3.089 -2.621 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.444 3.652 -1.374 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.411 3.057 -3.212 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.150 3.990 -1.301 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.445 3.562 -2.347 1.00 0.00 N ATOM 0 H HIS A 14 5.613 3.496 -5.319 1.00 0.00 H new ATOM 0 HA HIS A 14 6.637 4.826 -3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.970 1.963 -3.867 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.605 2.302 -2.269 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.146 3.785 -0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.213 2.691 -4.209 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.724 4.550 -0.482 1.00 0.00 H new ATOM 97 N GLY A 15 8.908 3.475 -4.780 1.00 0.00 N ATOM 98 CA GLY A 15 10.342 3.254 -4.858 1.00 0.00 C ATOM 99 C GLY A 15 10.653 1.800 -4.513 1.00 0.00 C ATOM 100 O GLY A 15 9.938 1.177 -3.726 1.00 0.00 O ATOM 0 H GLY A 15 8.424 3.376 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.702 3.486 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.861 3.921 -4.170 1.00 0.00 H new ATOM 101 N ALA A 16 11.717 1.238 -5.098 1.00 0.00 N ATOM 102 CA ALA A 16 12.136 -0.142 -4.858 1.00 0.00 C ATOM 103 C ALA A 16 12.843 -0.247 -3.510 1.00 0.00 C ATOM 104 O ALA A 16 14.038 -0.511 -3.424 1.00 0.00 O ATOM 105 CB ALA A 16 13.037 -0.601 -5.990 1.00 0.00 C ATOM 0 H ALA A 16 12.315 1.736 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 16 11.262 -0.792 -4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.350 -1.630 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.493 -0.545 -6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.916 0.042 -6.039 1.00 0.00 H new ATOM 106 N ASP A 17 12.032 -0.032 -2.482 1.00 0.00 N ATOM 107 CA ASP A 17 12.286 -0.002 -1.060 1.00 0.00 C ATOM 108 C ASP A 17 11.099 0.539 -0.256 1.00 0.00 C ATOM 109 O ASP A 17 11.145 0.486 0.969 1.00 0.00 O ATOM 110 CB ASP A 17 13.513 0.871 -0.775 1.00 0.00 C ATOM 111 CG ASP A 17 13.418 2.326 -1.250 1.00 0.00 C ATOM 112 OD1 ASP A 17 12.290 2.814 -1.486 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.493 2.955 -1.350 1.00 0.00 O ATOM 0 H ASP A 17 11.044 0.150 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 17 12.457 -1.032 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.695 0.870 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.381 0.410 -1.246 1.00 0.00 H new ATOM 114 N GLY A 18 10.068 1.112 -0.895 1.00 0.00 N ATOM 115 CA GLY A 18 8.926 1.700 -0.205 1.00 0.00 C ATOM 116 C GLY A 18 9.358 2.758 0.812 1.00 0.00 C ATOM 117 O GLY A 18 8.619 3.059 1.751 1.00 0.00 O ATOM 0 H GLY A 18 10.009 1.177 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.254 2.151 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.365 0.915 0.303 1.00 0.00 H new ATOM 118 N SER A 19 10.553 3.322 0.609 1.00 0.00 N ATOM 119 CA SER A 19 11.175 4.320 1.458 1.00 0.00 C ATOM 120 C SER A 19 11.216 5.671 0.747 1.00 0.00 C ATOM 121 O SER A 19 11.270 6.701 1.417 1.00 0.00 O ATOM 122 CB SER A 19 12.590 3.861 1.829 1.00 0.00 C ATOM 123 OG SER A 19 12.574 2.541 2.340 1.00 0.00 O ATOM 0 H SER A 19 11.134 3.077 -0.193 1.00 0.00 H new ATOM 0 HA SER A 19 10.588 4.436 2.369 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.234 3.908 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.014 4.538 2.571 1.00 0.00 H new ATOM 0 HG SER A 19 12.179 1.938 1.676 1.00 0.00 H new ATOM 124 N LYS A 20 11.190 5.693 -0.593 1.00 0.00 N ATOM 125 CA LYS A 20 11.209 6.941 -1.341 1.00 0.00 C ATOM 126 C LYS A 20 9.800 7.538 -1.304 1.00 0.00 C ATOM 127 O LYS A 20 9.105 7.523 -2.316 1.00 0.00 O ATOM 128 CB LYS A 20 11.687 6.686 -2.778 1.00 0.00 C ATOM 129 CG LYS A 20 13.103 6.094 -2.817 1.00 0.00 C ATOM 130 CD LYS A 20 13.585 5.985 -4.270 1.00 0.00 C ATOM 131 CE LYS A 20 14.997 5.391 -4.362 1.00 0.00 C ATOM 132 NZ LYS A 20 15.034 3.976 -3.950 1.00 0.00 N ATOM 0 H LYS A 20 11.156 4.856 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 20 11.906 7.651 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.996 6.005 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.670 7.622 -3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.785 6.723 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.108 5.110 -2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.892 5.363 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.576 6.973 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.360 5.479 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.674 5.969 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.983 3.588 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.811 3.903 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.334 3.436 -4.498 1.00 0.00 H new ATOM 133 N ALA A 21 9.409 8.023 -0.115 1.00 0.00 N ATOM 134 CA ALA A 21 8.141 8.649 0.258 1.00 0.00 C ATOM 135 C ALA A 21 7.288 8.986 -0.967 1.00 0.00 C ATOM 136 O ALA A 21 7.435 10.056 -1.555 1.00 0.00 O ATOM 137 CB ALA A 21 8.460 9.893 1.094 1.00 0.00 C ATOM 0 H ALA A 21 10.040 7.980 0.685 1.00 0.00 H new ATOM 0 HA ALA A 21 7.544 7.952 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.531 10.382 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.013 9.600 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.063 10.583 0.504 1.00 0.00 H new ATOM 138 N ALA A 22 6.396 8.058 -1.335 1.00 0.00 N ATOM 139 CA ALA A 22 5.572 8.151 -2.528 1.00 0.00 C ATOM 140 C ALA A 22 4.965 9.525 -2.764 1.00 0.00 C ATOM 141 O ALA A 22 4.383 10.085 -1.842 1.00 0.00 O ATOM 142 CB ALA A 22 4.477 7.083 -2.503 1.00 0.00 C ATOM 0 H ALA A 22 6.230 7.208 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 22 6.246 7.977 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.868 7.165 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.934 6.094 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.848 7.227 -1.625 1.00 0.00 H new ATOM 143 N MET A 23 5.092 10.002 -4.013 1.00 0.00 N ATOM 144 CA MET A 23 4.628 11.260 -4.596 1.00 0.00 C ATOM 145 C MET A 23 4.261 12.318 -3.553 1.00 0.00 C ATOM 146 O MET A 23 5.046 13.231 -3.313 1.00 0.00 O ATOM 147 CB MET A 23 3.466 10.966 -5.553 1.00 0.00 C ATOM 148 CG MET A 23 3.914 10.162 -6.780 1.00 0.00 C ATOM 149 SD MET A 23 5.123 10.965 -7.861 1.00 0.00 S ATOM 150 CE MET A 23 5.335 9.664 -9.095 1.00 0.00 C ATOM 0 H MET A 23 5.580 9.446 -4.715 1.00 0.00 H new ATOM 0 HA MET A 23 5.456 11.699 -5.152 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.691 10.413 -5.022 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.020 11.905 -5.880 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.336 9.218 -6.436 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.032 9.920 -7.372 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.053 9.990 -9.847 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.702 8.759 -8.610 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.378 9.457 -9.573 1.00 0.00 H new ATOM 151 N GLY A 24 3.097 12.206 -2.907 1.00 0.00 N ATOM 152 CA GLY A 24 2.674 13.138 -1.869 1.00 0.00 C ATOM 153 C GLY A 24 3.417 12.914 -0.547 1.00 0.00 C ATOM 154 O GLY A 24 2.823 13.010 0.523 1.00 0.00 O ATOM 0 H GLY A 24 2.423 11.463 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.844 14.159 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.602 13.031 -1.703 1.00 0.00 H new ATOM 155 N SER A 25 4.724 12.652 -0.620 1.00 0.00 N ATOM 156 CA SER A 25 5.622 12.409 0.490 1.00 0.00 C ATOM 157 C SER A 25 5.059 11.359 1.448 1.00 0.00 C ATOM 158 O SER A 25 4.979 11.625 2.647 1.00 0.00 O ATOM 159 CB SER A 25 5.899 13.736 1.209 1.00 0.00 C ATOM 160 OG SER A 25 6.404 14.682 0.286 1.00 0.00 O ATOM 0 H SER A 25 5.205 12.603 -1.518 1.00 0.00 H new ATOM 0 HA SER A 25 6.561 12.007 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.983 14.112 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.616 13.581 2.015 1.00 0.00 H new ATOM 0 HG SER A 25 6.578 15.529 0.748 1.00 0.00 H new ATOM 161 N ALA A 26 4.699 10.161 0.960 1.00 0.00 N ATOM 162 CA ALA A 26 4.160 9.160 1.855 1.00 0.00 C ATOM 163 C ALA A 26 5.081 8.830 3.020 1.00 0.00 C ATOM 164 O ALA A 26 6.294 8.729 2.852 1.00 0.00 O ATOM 165 CB ALA A 26 3.909 7.868 1.081 1.00 0.00 C ATOM 0 H ALA A 26 4.773 9.880 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 26 3.240 9.580 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.503 7.113 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.197 8.058 0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.847 7.509 0.658 1.00 0.00 H new ATOM 166 N LYS A 27 4.493 8.634 4.200 1.00 0.00 N ATOM 167 CA LYS A 27 5.237 8.210 5.372 1.00 0.00 C ATOM 168 C LYS A 27 5.850 6.871 4.944 1.00 0.00 C ATOM 169 O LYS A 27 5.067 5.997 4.572 1.00 0.00 O ATOM 170 CB LYS A 27 4.283 8.026 6.561 1.00 0.00 C ATOM 171 CG LYS A 27 3.539 9.325 6.914 1.00 0.00 C ATOM 172 CD LYS A 27 2.491 9.123 8.022 1.00 0.00 C ATOM 173 CE LYS A 27 1.099 8.730 7.497 1.00 0.00 C ATOM 174 NZ LYS A 27 1.074 7.403 6.859 1.00 0.00 N ATOM 0 H LYS A 27 3.495 8.765 4.364 1.00 0.00 H new ATOM 0 HA LYS A 27 5.991 8.929 5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.558 7.246 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.848 7.685 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.260 10.077 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.049 9.713 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.843 8.350 8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.405 10.043 8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.389 8.742 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.764 9.478 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.093 7.063 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.473 7.471 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.639 6.736 7.422 1.00 0.00 H new ATOM 175 N PRO A 28 7.187 6.713 4.922 1.00 0.00 N ATOM 176 CA PRO A 28 7.875 5.507 4.478 1.00 0.00 C ATOM 177 C PRO A 28 7.068 4.229 4.702 1.00 0.00 C ATOM 178 O PRO A 28 6.984 3.743 5.827 1.00 0.00 O ATOM 179 CB PRO A 28 9.205 5.519 5.232 1.00 0.00 C ATOM 180 CG PRO A 28 9.534 7.012 5.234 1.00 0.00 C ATOM 181 CD PRO A 28 8.163 7.668 5.426 1.00 0.00 C ATOM 0 HA PRO A 28 8.024 5.508 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.109 5.118 6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.970 4.930 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.222 7.272 6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.003 7.323 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.982 7.893 6.477 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.102 8.611 4.883 1.00 0.00 H new ATOM 182 N VAL A 29 6.453 3.703 3.631 1.00 0.00 N ATOM 183 CA VAL A 29 5.646 2.488 3.691 1.00 0.00 C ATOM 184 C VAL A 29 6.538 1.362 4.251 1.00 0.00 C ATOM 185 O VAL A 29 6.047 0.418 4.864 1.00 0.00 O ATOM 186 CB VAL A 29 5.075 2.159 2.300 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.194 0.908 2.349 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.160 3.295 1.834 1.00 0.00 C ATOM 0 H VAL A 29 6.506 4.115 2.699 1.00 0.00 H new ATOM 0 HA VAL A 29 4.786 2.614 4.349 1.00 0.00 H new ATOM 0 HB VAL A 29 5.924 2.013 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.804 0.699 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.786 0.060 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.364 1.074 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.758 3.058 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.339 3.415 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.730 4.222 1.779 1.00 0.00 H new ATOM 189 N LYS A 30 7.851 1.455 3.996 1.00 0.00 N ATOM 190 CA LYS A 30 8.927 0.602 4.477 1.00 0.00 C ATOM 191 C LYS A 30 8.768 0.206 5.936 1.00 0.00 C ATOM 192 O LYS A 30 9.212 0.865 6.872 1.00 0.00 O ATOM 193 CB LYS A 30 10.234 1.344 4.228 1.00 0.00 C ATOM 194 CG LYS A 30 11.534 0.840 4.878 1.00 0.00 C ATOM 195 CD LYS A 30 12.021 -0.518 4.359 1.00 0.00 C ATOM 196 CE LYS A 30 13.442 -0.765 4.882 1.00 0.00 C ATOM 197 NZ LYS A 30 13.993 -2.035 4.381 1.00 0.00 N ATOM 0 H LYS A 30 8.210 2.197 3.395 1.00 0.00 H new ATOM 0 HA LYS A 30 8.911 -0.344 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.396 1.365 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.089 2.376 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.318 1.580 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.383 0.770 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.353 -1.312 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.012 -0.531 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.090 0.058 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.432 -0.777 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.967 -2.152 4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.408 -2.825 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.995 -2.027 3.341 1.00 0.00 H new ATOM 198 N GLY A 31 8.115 -0.933 6.074 1.00 0.00 N ATOM 199 CA GLY A 31 7.838 -1.591 7.329 1.00 0.00 C ATOM 200 C GLY A 31 6.929 -0.724 8.176 1.00 0.00 C ATOM 201 O GLY A 31 7.162 -0.588 9.375 1.00 0.00 O ATOM 0 H GLY A 31 7.747 -1.446 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.367 -2.557 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.769 -1.785 7.861 1.00 0.00 H new ATOM 202 N GLN A 32 5.888 -0.149 7.555 1.00 0.00 N ATOM 203 CA GLN A 32 4.943 0.693 8.279 1.00 0.00 C ATOM 204 C GLN A 32 4.426 -0.133 9.476 1.00 0.00 C ATOM 205 O GLN A 32 4.294 0.355 10.595 1.00 0.00 O ATOM 206 CB GLN A 32 3.823 1.234 7.363 1.00 0.00 C ATOM 207 CG GLN A 32 3.882 2.769 7.161 1.00 0.00 C ATOM 208 CD GLN A 32 2.758 3.317 6.264 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.622 2.870 6.402 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.022 4.273 5.358 1.00 0.00 N ATOM 0 H GLN A 32 5.686 -0.255 6.561 1.00 0.00 H new ATOM 0 HA GLN A 32 5.430 1.595 8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.890 0.744 6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.855 0.968 7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.829 3.257 8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.845 3.033 6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.971 4.632 5.257 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.273 4.640 4.771 1.00 0.00 H new ATOM 211 N GLY A 33 4.145 -1.408 9.193 1.00 0.00 N ATOM 212 CA GLY A 33 3.774 -2.465 10.121 1.00 0.00 C ATOM 213 C GLY A 33 3.622 -3.757 9.313 1.00 0.00 C ATOM 214 O GLY A 33 4.597 -4.299 8.800 1.00 0.00 O ATOM 0 H GLY A 33 4.175 -1.748 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.536 -2.583 10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.842 -2.219 10.629 1.00 0.00 H new ATOM 215 N ALA A 34 2.374 -4.196 9.169 1.00 0.00 N ATOM 216 CA ALA A 34 1.847 -5.343 8.423 1.00 0.00 C ATOM 217 C ALA A 34 0.363 -5.259 8.725 1.00 0.00 C ATOM 218 O ALA A 34 -0.442 -5.021 7.833 1.00 0.00 O ATOM 219 CB ALA A 34 2.438 -6.703 8.806 1.00 0.00 C ATOM 0 H ALA A 34 1.613 -3.696 9.628 1.00 0.00 H new ATOM 0 HA ALA A 34 2.104 -5.287 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.981 -7.483 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.515 -6.693 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.239 -6.903 9.859 1.00 0.00 H new ATOM 220 N GLU A 35 0.020 -5.350 10.014 1.00 0.00 N ATOM 221 CA GLU A 35 -1.351 -5.134 10.443 1.00 0.00 C ATOM 222 C GLU A 35 -1.662 -3.670 10.105 1.00 0.00 C ATOM 223 O GLU A 35 -2.748 -3.364 9.630 1.00 0.00 O ATOM 224 CB GLU A 35 -1.502 -5.440 11.940 1.00 0.00 C ATOM 225 CG GLU A 35 -2.936 -5.201 12.443 1.00 0.00 C ATOM 226 CD GLU A 35 -3.983 -5.994 11.661 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.771 -7.216 11.504 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.972 -5.363 11.231 1.00 0.00 O ATOM 0 H GLU A 35 0.672 -5.570 10.767 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.055 -5.798 9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.222 -6.477 12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.812 -4.816 12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.995 -5.472 13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.167 -4.138 12.374 1.00 0.00 H new ATOM 229 N GLU A 36 -0.682 -2.777 10.321 1.00 0.00 N ATOM 230 CA GLU A 36 -0.791 -1.362 9.999 1.00 0.00 C ATOM 231 C GLU A 36 -1.112 -1.228 8.509 1.00 0.00 C ATOM 232 O GLU A 36 -2.181 -0.762 8.135 1.00 0.00 O ATOM 233 CB GLU A 36 0.532 -0.645 10.345 1.00 0.00 C ATOM 234 CG GLU A 36 0.423 0.882 10.264 1.00 0.00 C ATOM 235 CD GLU A 36 -0.628 1.436 11.224 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.289 1.579 12.417 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.757 1.685 10.750 1.00 0.00 O ATOM 0 H GLU A 36 0.217 -3.031 10.730 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.587 -0.898 10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.841 -0.929 11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.312 -0.985 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.392 1.327 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.171 1.173 9.244 1.00 0.00 H new ATOM 238 N LEU A 37 -0.176 -1.662 7.662 1.00 0.00 N ATOM 239 CA LEU A 37 -0.282 -1.641 6.209 1.00 0.00 C ATOM 240 C LEU A 37 -1.635 -2.203 5.744 1.00 0.00 C ATOM 241 O LEU A 37 -2.290 -1.634 4.872 1.00 0.00 O ATOM 242 CB LEU A 37 0.894 -2.460 5.655 1.00 0.00 C ATOM 243 CG LEU A 37 2.245 -1.747 5.845 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.415 -2.730 5.900 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.495 -0.798 4.677 1.00 0.00 C ATOM 0 H LEU A 37 0.709 -2.052 7.986 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.235 -0.618 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.925 -3.429 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.733 -2.651 4.594 1.00 0.00 H new ATOM 0 HG LEU A 37 2.188 -1.210 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.346 -2.180 6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.275 -3.416 6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.459 -3.295 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.452 -0.295 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.514 -1.364 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.698 -0.056 4.634 1.00 0.00 H new ATOM 246 N TYR A 38 -2.063 -3.322 6.330 1.00 0.00 N ATOM 247 CA TYR A 38 -3.325 -3.959 5.998 1.00 0.00 C ATOM 248 C TYR A 38 -4.502 -3.080 6.391 1.00 0.00 C ATOM 249 O TYR A 38 -5.400 -2.876 5.585 1.00 0.00 O ATOM 250 CB TYR A 38 -3.426 -5.301 6.714 1.00 0.00 C ATOM 251 CG TYR A 38 -4.738 -6.025 6.471 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.118 -6.366 5.159 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.656 -6.193 7.525 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.392 -6.903 4.910 1.00 0.00 C ATOM 255 CE2 TYR A 38 -6.936 -6.716 7.271 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.306 -7.065 5.961 1.00 0.00 C ATOM 257 OH TYR A 38 -8.546 -7.571 5.705 1.00 0.00 O ATOM 0 H TYR A 38 -1.535 -3.811 7.053 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.357 -4.113 4.919 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.604 -5.939 6.389 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.302 -5.142 7.785 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.428 -6.214 4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.376 -5.919 8.532 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.668 -7.192 3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.635 -6.850 8.083 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.058 -7.621 6.539 1.00 0.00 H new ATOM 258 N LYS A 39 -4.522 -2.592 7.629 1.00 0.00 N ATOM 259 CA LYS A 39 -5.576 -1.730 8.135 1.00 0.00 C ATOM 260 C LYS A 39 -5.662 -0.479 7.262 1.00 0.00 C ATOM 261 O LYS A 39 -6.752 -0.016 6.932 1.00 0.00 O ATOM 262 CB LYS A 39 -5.258 -1.378 9.596 1.00 0.00 C ATOM 263 CG LYS A 39 -6.316 -0.472 10.239 1.00 0.00 C ATOM 264 CD LYS A 39 -6.025 -0.227 11.727 1.00 0.00 C ATOM 265 CE LYS A 39 -4.690 0.498 11.948 1.00 0.00 C ATOM 266 NZ LYS A 39 -4.513 0.886 13.358 1.00 0.00 N ATOM 0 H LYS A 39 -3.794 -2.790 8.315 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.543 -2.232 8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.175 -2.297 10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.288 -0.883 9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.347 0.482 9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.300 -0.928 10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.832 0.363 12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.009 -1.181 12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.868 -0.149 11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.648 1.386 11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.601 1.373 13.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.284 1.523 13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.528 0.036 13.957 1.00 0.00 H new ATOM 267 N LYS A 40 -4.504 0.062 6.876 1.00 0.00 N ATOM 268 CA LYS A 40 -4.400 1.240 6.056 1.00 0.00 C ATOM 269 C LYS A 40 -5.044 0.962 4.699 1.00 0.00 C ATOM 270 O LYS A 40 -5.932 1.698 4.265 1.00 0.00 O ATOM 271 CB LYS A 40 -2.915 1.570 5.928 1.00 0.00 C ATOM 272 CG LYS A 40 -2.285 2.202 7.178 1.00 0.00 C ATOM 273 CD LYS A 40 -2.686 3.671 7.352 1.00 0.00 C ATOM 274 CE LYS A 40 -1.796 4.381 8.379 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.428 4.586 7.868 1.00 0.00 N ATOM 0 H LYS A 40 -3.599 -0.327 7.139 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.920 2.092 6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.373 0.655 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.780 2.250 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.589 1.638 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.199 2.129 7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.616 4.184 6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.727 3.729 7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.236 5.344 8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.757 3.792 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.134 5.099 8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.013 3.664 7.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.465 5.140 6.989 1.00 0.00 H new ATOM 276 N MET A 41 -4.611 -0.113 4.028 1.00 0.00 N ATOM 277 CA MET A 41 -5.183 -0.465 2.746 1.00 0.00 C ATOM 278 C MET A 41 -6.670 -0.727 2.895 1.00 0.00 C ATOM 279 O MET A 41 -7.428 -0.156 2.133 1.00 0.00 O ATOM 280 CB MET A 41 -4.478 -1.671 2.143 1.00 0.00 C ATOM 281 CG MET A 41 -3.225 -1.191 1.412 1.00 0.00 C ATOM 282 SD MET A 41 -2.326 -2.470 0.514 1.00 0.00 S ATOM 283 CE MET A 41 -1.730 -3.412 1.924 1.00 0.00 C ATOM 0 H MET A 41 -3.876 -0.739 4.356 1.00 0.00 H new ATOM 0 HA MET A 41 -5.042 0.373 2.064 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.210 -2.382 2.925 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.142 -2.191 1.453 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.511 -0.408 0.709 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.551 -0.737 2.138 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.938 -4.088 1.602 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.340 -2.729 2.679 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.551 -3.991 2.348 1.00 0.00 H new ATOM 284 N LYS A 42 -7.105 -1.554 3.848 1.00 0.00 N ATOM 285 CA LYS A 42 -8.519 -1.835 4.072 1.00 0.00 C ATOM 286 C LYS A 42 -9.268 -0.504 4.202 1.00 0.00 C ATOM 287 O LYS A 42 -10.347 -0.328 3.636 1.00 0.00 O ATOM 288 CB LYS A 42 -8.682 -2.734 5.306 1.00 0.00 C ATOM 289 CG LYS A 42 -10.144 -3.063 5.654 1.00 0.00 C ATOM 290 CD LYS A 42 -11.002 -3.573 4.484 1.00 0.00 C ATOM 291 CE LYS A 42 -10.427 -4.820 3.801 1.00 0.00 C ATOM 292 NZ LYS A 42 -11.306 -5.269 2.705 1.00 0.00 N ATOM 0 H LYS A 42 -6.482 -2.048 4.487 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.948 -2.379 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.141 -3.665 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.217 -2.246 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.151 -3.815 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.613 -2.168 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.004 -3.798 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.104 -2.778 3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.434 -4.600 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.312 -5.620 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.751 -5.818 2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.066 -5.865 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.722 -4.441 2.232 1.00 0.00 H new ATOM 293 N GLY A 43 -8.669 0.443 4.927 1.00 0.00 N ATOM 294 CA GLY A 43 -9.198 1.779 5.096 1.00 0.00 C ATOM 295 C GLY A 43 -9.488 2.408 3.732 1.00 0.00 C ATOM 296 O GLY A 43 -10.558 2.969 3.527 1.00 0.00 O ATOM 0 H GLY A 43 -7.788 0.291 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.111 1.744 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.484 2.394 5.644 1.00 0.00 H new ATOM 297 N TYR A 44 -8.551 2.358 2.783 1.00 0.00 N ATOM 298 CA TYR A 44 -8.811 2.918 1.459 1.00 0.00 C ATOM 299 C TYR A 44 -9.835 2.035 0.728 1.00 0.00 C ATOM 300 O TYR A 44 -10.878 2.513 0.290 1.00 0.00 O ATOM 301 CB TYR A 44 -7.507 3.018 0.651 1.00 0.00 C ATOM 302 CG TYR A 44 -6.498 4.049 1.118 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.839 5.415 1.135 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.166 3.667 1.367 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.894 6.374 1.535 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.207 4.635 1.706 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.574 5.983 1.814 1.00 0.00 C ATOM 308 OH TYR A 44 -3.652 6.881 2.250 1.00 0.00 O ATOM 0 H TYR A 44 -7.626 1.945 2.903 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.217 3.924 1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.025 2.041 0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.764 3.237 -0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.830 5.726 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.881 2.628 1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.182 7.411 1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.184 4.340 1.884 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.093 7.561 2.801 1.00 0.00 H new ATOM 309 N ALA A 45 -9.520 0.740 0.638 1.00 0.00 N ATOM 310 CA ALA A 45 -10.247 -0.342 -0.007 1.00 0.00 C ATOM 311 C ALA A 45 -11.754 -0.197 0.191 1.00 0.00 C ATOM 312 O ALA A 45 -12.503 -0.151 -0.781 1.00 0.00 O ATOM 313 CB ALA A 45 -9.824 -1.694 0.578 1.00 0.00 C ATOM 0 H ALA A 45 -8.659 0.394 1.061 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.012 -0.294 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.377 -2.493 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.756 -1.841 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.038 -1.711 1.647 1.00 0.00 H new ATOM 314 N ASP A 46 -12.178 -0.132 1.462 1.00 0.00 N ATOM 315 CA ASP A 46 -13.588 -0.089 1.838 1.00 0.00 C ATOM 316 C ASP A 46 -13.860 0.750 3.096 1.00 0.00 C ATOM 317 O ASP A 46 -14.813 0.448 3.810 1.00 0.00 O ATOM 318 CB ASP A 46 -14.054 -1.533 2.113 1.00 0.00 C ATOM 319 CG ASP A 46 -13.745 -2.528 0.998 1.00 0.00 C ATOM 320 OD1 ASP A 46 -14.564 -2.607 0.059 1.00 0.00 O ATOM 321 OD2 ASP A 46 -12.700 -3.209 1.121 1.00 0.00 O ATOM 0 H ASP A 46 -11.543 -0.108 2.259 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.129 0.378 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.585 -1.882 3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.130 -1.526 2.287 1.00 0.00 H new ATOM 322 N GLY A 47 -13.073 1.791 3.401 1.00 0.00 N ATOM 323 CA GLY A 47 -13.304 2.593 4.608 1.00 0.00 C ATOM 324 C GLY A 47 -12.969 4.075 4.441 1.00 0.00 C ATOM 325 O GLY A 47 -12.751 4.770 5.430 1.00 0.00 O ATOM 0 H GLY A 47 -12.280 2.094 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.350 2.498 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.706 2.185 5.423 1.00 0.00 H new ATOM 326 N SER A 48 -12.944 4.558 3.194 1.00 0.00 N ATOM 327 CA SER A 48 -12.669 5.919 2.779 1.00 0.00 C ATOM 328 C SER A 48 -11.538 6.575 3.590 1.00 0.00 C ATOM 329 O SER A 48 -11.639 7.735 3.991 1.00 0.00 O ATOM 330 CB SER A 48 -14.015 6.644 2.825 1.00 0.00 C ATOM 331 OG SER A 48 -13.915 8.044 2.660 1.00 0.00 O ATOM 0 H SER A 48 -13.131 3.953 2.395 1.00 0.00 H new ATOM 0 HA SER A 48 -12.267 5.966 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.661 6.241 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.498 6.434 3.779 1.00 0.00 H new ATOM 0 HG SER A 48 -13.096 8.366 3.091 1.00 0.00 H new ATOM 332 N TYR A 49 -10.457 5.827 3.826 1.00 0.00 N ATOM 333 CA TYR A 49 -9.279 6.367 4.509 1.00 0.00 C ATOM 334 C TYR A 49 -8.651 7.412 3.579 1.00 0.00 C ATOM 335 O TYR A 49 -8.938 7.419 2.382 1.00 0.00 O ATOM 336 CB TYR A 49 -8.309 5.231 4.856 1.00 0.00 C ATOM 337 CG TYR A 49 -6.955 5.628 5.418 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.854 6.460 6.550 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.783 5.176 4.786 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.596 6.938 6.959 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.529 5.671 5.181 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.436 6.575 6.251 1.00 0.00 C ATOM 343 OH TYR A 49 -3.219 7.029 6.667 1.00 0.00 O ATOM 0 H TYR A 49 -10.373 4.847 3.555 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.544 6.844 5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.797 4.577 5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.142 4.641 3.955 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.741 6.731 7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.847 4.445 3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.520 7.586 7.820 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.636 5.356 4.661 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.513 6.611 6.131 1.00 0.00 H new ATOM 344 N GLY A 50 -7.801 8.298 4.110 1.00 0.00 N ATOM 345 CA GLY A 50 -7.198 9.357 3.317 1.00 0.00 C ATOM 346 C GLY A 50 -5.680 9.435 3.337 1.00 0.00 C ATOM 347 O GLY A 50 -4.985 8.603 3.915 1.00 0.00 O ATOM 0 H GLY A 50 -7.519 8.296 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.520 9.235 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.594 10.311 3.664 1.00 0.00 H new ATOM 348 N GLY A 51 -5.191 10.467 2.653 1.00 0.00 N ATOM 349 CA GLY A 51 -3.848 10.864 2.392 1.00 0.00 C ATOM 350 C GLY A 51 -3.910 11.857 1.241 1.00 0.00 C ATOM 351 O GLY A 51 -4.988 12.114 0.700 1.00 0.00 O ATOM 0 H GLY A 51 -5.838 11.123 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.399 11.320 3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.233 10.003 2.130 1.00 0.00 H new ATOM 352 N GLU A 52 -2.761 12.408 0.880 1.00 0.00 N ATOM 353 CA GLU A 52 -2.623 13.370 -0.204 1.00 0.00 C ATOM 354 C GLU A 52 -3.189 12.770 -1.495 1.00 0.00 C ATOM 355 O GLU A 52 -3.936 13.432 -2.211 1.00 0.00 O ATOM 356 CB GLU A 52 -1.138 13.755 -0.347 1.00 0.00 C ATOM 357 CG GLU A 52 -0.883 15.049 -1.144 1.00 0.00 C ATOM 358 CD GLU A 52 -1.008 14.898 -2.661 1.00 0.00 C ATOM 359 OE1 GLU A 52 -0.129 14.227 -3.246 1.00 0.00 O ATOM 360 OE2 GLU A 52 -1.962 15.480 -3.219 1.00 0.00 O ATOM 0 H GLU A 52 -1.878 12.194 1.343 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.188 14.277 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.708 13.867 0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.609 12.935 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.587 15.811 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.117 15.413 -0.910 1.00 0.00 H new ATOM 361 N ARG A 53 -2.863 11.503 -1.770 1.00 0.00 N ATOM 362 CA ARG A 53 -3.284 10.794 -2.972 1.00 0.00 C ATOM 363 C ARG A 53 -4.275 9.678 -2.644 1.00 0.00 C ATOM 364 O ARG A 53 -4.300 8.647 -3.316 1.00 0.00 O ATOM 365 CB ARG A 53 -2.033 10.270 -3.688 1.00 0.00 C ATOM 366 CG ARG A 53 -1.044 11.430 -3.842 1.00 0.00 C ATOM 367 CD ARG A 53 0.031 11.155 -4.890 1.00 0.00 C ATOM 368 NE ARG A 53 -0.476 11.366 -6.250 1.00 0.00 N ATOM 369 CZ ARG A 53 -0.677 12.572 -6.805 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.476 13.694 -6.101 1.00 0.00 N ATOM 371 NH2 ARG A 53 -1.084 12.646 -8.076 1.00 0.00 N ATOM 0 H ARG A 53 -2.288 10.935 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.814 11.475 -3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.581 9.459 -3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.297 9.864 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.590 12.333 -4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.567 11.625 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.887 11.807 -4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.386 10.129 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.690 10.542 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.166 13.639 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.633 14.604 -6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.238 11.792 -8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.240 13.556 -8.509 1.00 0.00 H new ATOM 372 N LYS A 54 -5.132 9.912 -1.644 1.00 0.00 N ATOM 373 CA LYS A 54 -6.150 8.982 -1.181 1.00 0.00 C ATOM 374 C LYS A 54 -6.943 8.347 -2.326 1.00 0.00 C ATOM 375 O LYS A 54 -7.243 7.157 -2.290 1.00 0.00 O ATOM 376 CB LYS A 54 -7.118 9.730 -0.262 1.00 0.00 C ATOM 377 CG LYS A 54 -7.820 10.960 -0.859 1.00 0.00 C ATOM 378 CD LYS A 54 -8.567 11.708 0.252 1.00 0.00 C ATOM 379 CE LYS A 54 -9.304 12.922 -0.324 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.019 13.663 0.730 1.00 0.00 N ATOM 0 H LYS A 54 -5.130 10.788 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.640 8.175 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.883 9.029 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.570 10.047 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.089 11.618 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.517 10.652 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.278 11.038 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.863 12.032 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.591 13.583 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.012 12.593 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.508 14.479 0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.716 13.037 1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.339 13.996 1.442 1.00 0.00 H new ATOM 381 N ALA A 55 -7.314 9.152 -3.326 1.00 0.00 N ATOM 382 CA ALA A 55 -8.097 8.704 -4.468 1.00 0.00 C ATOM 383 C ALA A 55 -7.316 7.683 -5.291 1.00 0.00 C ATOM 384 O ALA A 55 -7.827 6.607 -5.597 1.00 0.00 O ATOM 385 CB ALA A 55 -8.486 9.914 -5.323 1.00 0.00 C ATOM 0 H ALA A 55 -7.074 10.143 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.004 8.215 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.073 9.581 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.078 10.607 -4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.585 10.416 -5.674 1.00 0.00 H new ATOM 386 N MET A 56 -6.076 8.027 -5.648 1.00 0.00 N ATOM 387 CA MET A 56 -5.211 7.147 -6.418 1.00 0.00 C ATOM 388 C MET A 56 -5.022 5.858 -5.622 1.00 0.00 C ATOM 389 O MET A 56 -5.127 4.761 -6.169 1.00 0.00 O ATOM 390 CB MET A 56 -3.859 7.817 -6.709 1.00 0.00 C ATOM 391 CG MET A 56 -3.986 9.101 -7.543 1.00 0.00 C ATOM 392 SD MET A 56 -4.332 10.625 -6.622 1.00 0.00 S ATOM 393 CE MET A 56 -4.803 11.714 -7.983 1.00 0.00 C ATOM 0 H MET A 56 -5.650 8.922 -5.409 1.00 0.00 H new ATOM 0 HA MET A 56 -5.669 6.927 -7.382 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.367 8.052 -5.765 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.217 7.111 -7.236 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.060 9.240 -8.100 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.780 8.956 -8.276 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.050 12.701 -7.591 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.973 11.799 -8.685 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.671 11.300 -8.496 1.00 0.00 H new ATOM 394 N MET A 57 -4.783 6.002 -4.315 1.00 0.00 N ATOM 395 CA MET A 57 -4.605 4.869 -3.432 1.00 0.00 C ATOM 396 C MET A 57 -5.842 3.971 -3.484 1.00 0.00 C ATOM 397 O MET A 57 -5.748 2.802 -3.846 1.00 0.00 O ATOM 398 CB MET A 57 -4.279 5.386 -2.019 1.00 0.00 C ATOM 399 CG MET A 57 -2.759 5.458 -1.812 1.00 0.00 C ATOM 400 SD MET A 57 -1.885 3.908 -2.166 1.00 0.00 S ATOM 401 CE MET A 57 -2.788 2.724 -1.146 1.00 0.00 C ATOM 0 H MET A 57 -4.710 6.907 -3.851 1.00 0.00 H new ATOM 0 HA MET A 57 -3.766 4.250 -3.751 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.719 6.373 -1.876 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.723 4.727 -1.273 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.354 6.244 -2.449 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.558 5.748 -0.781 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.514 1.710 -1.437 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.536 2.881 -0.097 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.860 2.865 -1.287 1.00 0.00 H new ATOM 402 N THR A 58 -7.011 4.511 -3.149 1.00 0.00 N ATOM 403 CA THR A 58 -8.272 3.794 -3.195 1.00 0.00 C ATOM 404 C THR A 58 -8.453 3.136 -4.561 1.00 0.00 C ATOM 405 O THR A 58 -8.896 1.998 -4.613 1.00 0.00 O ATOM 406 CB THR A 58 -9.423 4.751 -2.854 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.184 5.336 -1.589 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.762 4.010 -2.787 1.00 0.00 C ATOM 0 H THR A 58 -7.105 5.476 -2.833 1.00 0.00 H new ATOM 0 HA THR A 58 -8.273 2.997 -2.451 1.00 0.00 H new ATOM 0 HB THR A 58 -9.472 5.508 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.577 6.099 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.556 4.715 -2.544 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.970 3.547 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.713 3.239 -2.018 1.00 0.00 H new ATOM 409 N ASN A 59 -8.114 3.801 -5.668 1.00 0.00 N ATOM 410 CA ASN A 59 -8.244 3.164 -6.974 1.00 0.00 C ATOM 411 C ASN A 59 -7.325 1.938 -7.059 1.00 0.00 C ATOM 412 O ASN A 59 -7.767 0.858 -7.447 1.00 0.00 O ATOM 413 CB ASN A 59 -7.912 4.153 -8.095 1.00 0.00 C ATOM 414 CG ASN A 59 -8.010 3.462 -9.452 1.00 0.00 C ATOM 415 OD1 ASN A 59 -7.017 2.989 -9.992 1.00 0.00 O ATOM 416 ND2 ASN A 59 -9.212 3.383 -10.015 1.00 0.00 N ATOM 0 H ASN A 59 -7.756 4.756 -5.686 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.277 2.840 -7.097 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.598 4.999 -8.059 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.907 4.551 -7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.323 2.920 -10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.023 3.785 -9.545 1.00 0.00 H new ATOM 417 N ALA A 60 -6.054 2.100 -6.679 1.00 0.00 N ATOM 418 CA ALA A 60 -5.051 1.043 -6.718 1.00 0.00 C ATOM 419 C ALA A 60 -5.419 -0.147 -5.825 1.00 0.00 C ATOM 420 O ALA A 60 -5.128 -1.294 -6.153 1.00 0.00 O ATOM 421 CB ALA A 60 -3.708 1.630 -6.266 1.00 0.00 C ATOM 0 H ALA A 60 -5.691 2.987 -6.330 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.992 0.668 -7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.945 0.852 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.421 2.440 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.803 2.016 -5.251 1.00 0.00 H new ATOM 422 N VAL A 61 -6.062 0.141 -4.696 1.00 0.00 N ATOM 423 CA VAL A 61 -6.433 -0.811 -3.662 1.00 0.00 C ATOM 424 C VAL A 61 -7.801 -1.471 -3.863 1.00 0.00 C ATOM 425 O VAL A 61 -7.901 -2.692 -3.780 1.00 0.00 O ATOM 426 CB VAL A 61 -6.353 -0.020 -2.347 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.900 -0.735 -1.124 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.897 0.318 -2.025 1.00 0.00 C ATOM 0 H VAL A 61 -6.351 1.093 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.756 -1.665 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.973 0.858 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.797 -0.092 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.953 -0.969 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.343 -1.658 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.852 0.879 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.323 -0.603 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.477 0.920 -2.830 1.00 0.00 H new ATOM 429 N LYS A 62 -8.861 -0.696 -4.096 1.00 0.00 N ATOM 430 CA LYS A 62 -10.230 -1.189 -4.244 1.00 0.00 C ATOM 431 C LYS A 62 -10.354 -2.266 -5.326 1.00 0.00 C ATOM 432 O LYS A 62 -11.254 -3.098 -5.255 1.00 0.00 O ATOM 433 CB LYS A 62 -11.164 0.002 -4.509 1.00 0.00 C ATOM 434 CG LYS A 62 -12.647 -0.397 -4.483 1.00 0.00 C ATOM 435 CD LYS A 62 -13.566 0.831 -4.557 1.00 0.00 C ATOM 436 CE LYS A 62 -13.706 1.514 -3.190 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.523 2.736 -3.279 1.00 0.00 N ATOM 0 H LYS A 62 -8.789 0.317 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.525 -1.677 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.985 0.773 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.925 0.438 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.860 -1.062 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.858 -0.955 -3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.167 1.542 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.550 0.529 -4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.160 0.822 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.718 1.763 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.598 3.173 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.076 3.406 -3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.473 2.494 -3.625 1.00 0.00 H new ATOM 438 N LYS A 63 -9.483 -2.256 -6.340 1.00 0.00 N ATOM 439 CA LYS A 63 -9.526 -3.282 -7.375 1.00 0.00 C ATOM 440 C LYS A 63 -9.149 -4.661 -6.804 1.00 0.00 C ATOM 441 O LYS A 63 -9.441 -5.676 -7.432 1.00 0.00 O ATOM 442 CB LYS A 63 -8.626 -2.890 -8.556 1.00 0.00 C ATOM 443 CG LYS A 63 -7.173 -2.599 -8.161 1.00 0.00 C ATOM 444 CD LYS A 63 -6.238 -2.536 -9.378 1.00 0.00 C ATOM 445 CE LYS A 63 -6.646 -1.489 -10.426 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.625 -0.120 -9.881 1.00 0.00 N ATOM 0 H LYS A 63 -8.750 -1.557 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.548 -3.357 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.638 -3.694 -9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.044 -2.008 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.128 -1.653 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.823 -3.372 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.227 -2.317 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.209 -3.517 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.971 -1.549 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.646 -1.717 -10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.035 0.537 -10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.182 -0.087 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.644 0.158 -9.679 1.00 0.00 H new ATOM 447 N TYR A 64 -8.471 -4.712 -5.651 1.00 0.00 N ATOM 448 CA TYR A 64 -8.069 -5.920 -4.982 1.00 0.00 C ATOM 449 C TYR A 64 -9.098 -6.253 -3.901 1.00 0.00 C ATOM 450 O TYR A 64 -10.109 -5.579 -3.727 1.00 0.00 O ATOM 451 CB TYR A 64 -6.685 -5.678 -4.364 1.00 0.00 C ATOM 452 CG TYR A 64 -5.583 -5.197 -5.288 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.468 -5.686 -6.604 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.561 -4.390 -4.757 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.355 -5.341 -7.390 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.427 -4.092 -5.525 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.327 -4.552 -6.847 1.00 0.00 C ATOM 458 OH TYR A 64 -2.201 -4.296 -7.571 1.00 0.00 O ATOM 0 H TYR A 64 -8.184 -3.870 -5.152 1.00 0.00 H new ATOM 0 HA TYR A 64 -8.014 -6.759 -5.675 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.797 -4.947 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.355 -6.608 -3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.236 -6.327 -7.010 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.650 -3.999 -3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.290 -5.683 -8.412 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.627 -3.506 -5.098 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.421 -4.289 -8.526 1.00 0.00 H new ATOM 459 N SER A 65 -8.804 -7.318 -3.168 1.00 0.00 N ATOM 460 CA SER A 65 -9.595 -7.835 -2.058 1.00 0.00 C ATOM 461 C SER A 65 -8.690 -8.119 -0.868 1.00 0.00 C ATOM 462 O SER A 65 -7.467 -8.147 -0.985 1.00 0.00 O ATOM 463 CB SER A 65 -10.355 -9.099 -2.473 1.00 0.00 C ATOM 464 OG SER A 65 -11.211 -9.551 -1.433 1.00 0.00 O ATOM 0 H SER A 65 -7.966 -7.873 -3.339 1.00 0.00 H new ATOM 0 HA SER A 65 -10.330 -7.082 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.943 -8.895 -3.368 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.645 -9.885 -2.730 1.00 0.00 H new ATOM 0 HG SER A 65 -10.710 -10.139 -0.830 1.00 0.00 H new ATOM 465 N ASP A 66 -9.337 -8.353 0.269 1.00 0.00 N ATOM 466 CA ASP A 66 -8.752 -8.646 1.572 1.00 0.00 C ATOM 467 C ASP A 66 -7.480 -9.498 1.487 1.00 0.00 C ATOM 468 O ASP A 66 -6.458 -9.127 2.058 1.00 0.00 O ATOM 469 CB ASP A 66 -9.810 -9.331 2.456 1.00 0.00 C ATOM 470 CG ASP A 66 -10.239 -10.719 1.968 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.267 -10.920 0.730 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.517 -11.561 2.846 1.00 0.00 O ATOM 0 H ASP A 66 -10.356 -8.342 0.306 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.445 -7.699 2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.417 -9.421 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.690 -8.690 2.511 1.00 0.00 H new ATOM 473 N GLU A 67 -7.531 -10.624 0.772 1.00 0.00 N ATOM 474 CA GLU A 67 -6.400 -11.534 0.637 1.00 0.00 C ATOM 475 C GLU A 67 -5.223 -10.805 -0.018 1.00 0.00 C ATOM 476 O GLU A 67 -4.119 -10.778 0.521 1.00 0.00 O ATOM 477 CB GLU A 67 -6.858 -12.780 -0.140 1.00 0.00 C ATOM 478 CG GLU A 67 -5.817 -13.910 -0.153 1.00 0.00 C ATOM 479 CD GLU A 67 -4.854 -13.812 -1.331 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.250 -14.239 -2.435 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.731 -13.297 -1.140 1.00 0.00 O ATOM 0 H GLU A 67 -8.364 -10.928 0.269 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.046 -11.870 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.783 -13.153 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.086 -12.495 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.250 -13.886 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.331 -14.871 -0.188 1.00 0.00 H new ATOM 482 N GLU A 68 -5.460 -10.205 -1.186 1.00 0.00 N ATOM 483 CA GLU A 68 -4.452 -9.452 -1.917 1.00 0.00 C ATOM 484 C GLU A 68 -3.882 -8.351 -1.020 1.00 0.00 C ATOM 485 O GLU A 68 -2.668 -8.194 -0.951 1.00 0.00 O ATOM 486 CB GLU A 68 -5.075 -8.830 -3.174 1.00 0.00 C ATOM 487 CG GLU A 68 -5.357 -9.786 -4.341 1.00 0.00 C ATOM 488 CD GLU A 68 -6.239 -10.966 -3.957 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.281 -10.716 -3.312 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.826 -12.099 -4.290 1.00 0.00 O ATOM 0 H GLU A 68 -6.367 -10.231 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.648 -10.125 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.013 -8.352 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.411 -8.042 -3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.836 -9.231 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.411 -10.161 -4.730 1.00 0.00 H new ATOM 491 N LEU A 69 -4.745 -7.594 -0.335 1.00 0.00 N ATOM 492 CA LEU A 69 -4.312 -6.514 0.544 1.00 0.00 C ATOM 493 C LEU A 69 -3.424 -7.052 1.667 1.00 0.00 C ATOM 494 O LEU A 69 -2.362 -6.497 1.946 1.00 0.00 O ATOM 495 CB LEU A 69 -5.533 -5.788 1.125 1.00 0.00 C ATOM 496 CG LEU A 69 -6.431 -5.142 0.061 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.596 -4.425 0.747 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.662 -4.177 -0.838 1.00 0.00 C ATOM 0 H LEU A 69 -5.757 -7.715 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.726 -5.805 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.124 -6.497 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.192 -5.017 1.816 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.813 -5.934 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.235 -3.965 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.176 -5.144 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.208 -3.654 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.341 -3.746 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.231 -3.380 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.865 -4.715 -1.351 1.00 0.00 H new ATOM 499 N LYS A 70 -3.849 -8.130 2.323 1.00 0.00 N ATOM 500 CA LYS A 70 -3.090 -8.732 3.405 1.00 0.00 C ATOM 501 C LYS A 70 -1.751 -9.253 2.882 1.00 0.00 C ATOM 502 O LYS A 70 -0.728 -9.092 3.549 1.00 0.00 O ATOM 503 CB LYS A 70 -3.932 -9.840 4.049 1.00 0.00 C ATOM 504 CG LYS A 70 -3.280 -10.364 5.336 1.00 0.00 C ATOM 505 CD LYS A 70 -4.144 -11.425 6.037 1.00 0.00 C ATOM 506 CE LYS A 70 -5.522 -10.916 6.486 1.00 0.00 C ATOM 507 NZ LYS A 70 -5.421 -9.705 7.320 1.00 0.00 N ATOM 0 H LYS A 70 -4.727 -8.606 2.116 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.865 -7.988 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.928 -9.458 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.057 -10.661 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.305 -10.791 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.106 -9.531 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.283 -12.269 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.605 -11.799 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.132 -10.702 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.033 -11.700 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.009 -9.819 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.430 -9.559 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.752 -8.882 6.778 1.00 0.00 H new ATOM 508 N ALA A 71 -1.743 -9.855 1.688 1.00 0.00 N ATOM 509 CA ALA A 71 -0.530 -10.389 1.102 1.00 0.00 C ATOM 510 C ALA A 71 0.400 -9.227 0.795 1.00 0.00 C ATOM 511 O ALA A 71 1.593 -9.295 1.083 1.00 0.00 O ATOM 512 CB ALA A 71 -0.861 -11.188 -0.157 1.00 0.00 C ATOM 0 H ALA A 71 -2.575 -9.980 1.112 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.037 -11.070 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.058 -11.584 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.526 -12.012 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.351 -10.538 -0.882 1.00 0.00 H new ATOM 513 N LEU A 72 -0.148 -8.154 0.217 1.00 0.00 N ATOM 514 CA LEU A 72 0.631 -6.979 -0.083 1.00 0.00 C ATOM 515 C LEU A 72 1.270 -6.474 1.191 1.00 0.00 C ATOM 516 O LEU A 72 2.487 -6.425 1.263 1.00 0.00 O ATOM 517 CB LEU A 72 -0.297 -5.913 -0.644 1.00 0.00 C ATOM 518 CG LEU A 72 -0.316 -6.054 -2.155 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.456 -5.223 -2.682 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.965 -5.463 -2.711 1.00 0.00 C ATOM 0 H LEU A 72 -1.131 -8.088 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 72 1.408 -7.214 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.302 -6.031 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.048 -4.919 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.418 -7.102 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.494 -5.305 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.394 -5.581 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.306 -4.180 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.967 -5.556 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.029 -4.410 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.821 -5.997 -2.299 1.00 0.00 H new ATOM 521 N ALA A 73 0.458 -6.131 2.190 1.00 0.00 N ATOM 522 CA ALA A 73 0.938 -5.602 3.454 1.00 0.00 C ATOM 523 C ALA A 73 2.033 -6.499 4.031 1.00 0.00 C ATOM 524 O ALA A 73 3.089 -6.006 4.424 1.00 0.00 O ATOM 525 CB ALA A 73 -0.239 -5.516 4.426 1.00 0.00 C ATOM 0 H ALA A 73 -0.557 -6.215 2.139 1.00 0.00 H new ATOM 0 HA ALA A 73 1.363 -4.611 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.106 -5.120 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.003 -4.857 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.660 -6.510 4.576 1.00 0.00 H new ATOM 526 N ASP A 74 1.775 -7.810 4.107 1.00 0.00 N ATOM 527 CA ASP A 74 2.763 -8.768 4.572 1.00 0.00 C ATOM 528 C ASP A 74 4.050 -8.589 3.763 1.00 0.00 C ATOM 529 O ASP A 74 5.125 -8.548 4.352 1.00 0.00 O ATOM 530 CB ASP A 74 2.236 -10.198 4.441 1.00 0.00 C ATOM 531 CG ASP A 74 3.312 -11.197 4.851 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.551 -11.305 6.073 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.893 -11.817 3.934 1.00 0.00 O ATOM 0 H ASP A 74 0.880 -8.226 3.848 1.00 0.00 H new ATOM 0 HA ASP A 74 2.971 -8.589 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.353 -10.326 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.928 -10.387 3.413 1.00 0.00 H new ATOM 534 N TYR A 75 3.959 -8.457 2.434 1.00 0.00 N ATOM 535 CA TYR A 75 5.156 -8.241 1.633 1.00 0.00 C ATOM 536 C TYR A 75 5.777 -6.887 1.990 1.00 0.00 C ATOM 537 O TYR A 75 6.973 -6.854 2.262 1.00 0.00 O ATOM 538 CB TYR A 75 4.929 -8.348 0.121 1.00 0.00 C ATOM 539 CG TYR A 75 6.233 -8.032 -0.593 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.339 -8.857 -0.305 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.464 -6.709 -1.021 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.631 -8.310 -0.224 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.765 -6.177 -0.994 1.00 0.00 C ATOM 544 CZ TYR A 75 8.828 -6.947 -0.492 1.00 0.00 C ATOM 545 OH TYR A 75 10.034 -6.365 -0.241 1.00 0.00 O ATOM 0 H TYR A 75 3.087 -8.496 1.906 1.00 0.00 H new ATOM 0 HA TYR A 75 5.843 -9.051 1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.589 -9.350 -0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.149 -7.655 -0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.193 -9.915 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.641 -6.103 -1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.469 -8.936 0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.947 -5.177 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 75 10.303 -6.555 0.682 1.00 0.00 H new ATOM 546 N MET A 76 5.037 -5.767 1.950 1.00 0.00 N ATOM 547 CA MET A 76 5.591 -4.475 2.345 1.00 0.00 C ATOM 548 C MET A 76 6.318 -4.557 3.698 1.00 0.00 C ATOM 549 O MET A 76 7.335 -3.901 3.911 1.00 0.00 O ATOM 550 CB MET A 76 4.488 -3.417 2.389 1.00 0.00 C ATOM 551 CG MET A 76 4.120 -2.935 0.984 1.00 0.00 C ATOM 552 SD MET A 76 2.555 -3.545 0.326 1.00 0.00 S ATOM 553 CE MET A 76 1.439 -2.278 0.936 1.00 0.00 C ATOM 0 H MET A 76 4.063 -5.736 1.650 1.00 0.00 H new ATOM 0 HA MET A 76 6.328 -4.186 1.596 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.605 -3.830 2.876 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.818 -2.570 2.991 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.089 -1.845 0.991 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.917 -3.226 0.300 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.500 -2.324 0.385 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.246 -2.443 1.996 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.893 -1.297 0.798 1.00 0.00 H new ATOM 554 N SER A 77 5.809 -5.364 4.628 1.00 0.00 N ATOM 555 CA SER A 77 6.461 -5.551 5.922 1.00 0.00 C ATOM 556 C SER A 77 7.925 -5.998 5.731 1.00 0.00 C ATOM 557 O SER A 77 8.783 -5.665 6.544 1.00 0.00 O ATOM 558 CB SER A 77 5.671 -6.569 6.750 1.00 0.00 C ATOM 559 OG SER A 77 6.038 -6.514 8.112 1.00 0.00 O ATOM 0 H SER A 77 4.948 -5.898 4.509 1.00 0.00 H new ATOM 0 HA SER A 77 6.476 -4.603 6.460 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.603 -6.373 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.848 -7.572 6.363 1.00 0.00 H new ATOM 0 HG SER A 77 5.611 -5.740 8.535 1.00 0.00 H new ATOM 560 N LYS A 78 8.210 -6.735 4.649 1.00 0.00 N ATOM 561 CA LYS A 78 9.525 -7.241 4.278 1.00 0.00 C ATOM 562 C LYS A 78 10.224 -6.326 3.253 1.00 0.00 C ATOM 563 O LYS A 78 10.943 -6.829 2.384 1.00 0.00 O ATOM 564 CB LYS A 78 9.397 -8.664 3.698 1.00 0.00 C ATOM 565 CG LYS A 78 8.407 -9.594 4.408 1.00 0.00 C ATOM 566 CD LYS A 78 8.693 -9.793 5.902 1.00 0.00 C ATOM 567 CE LYS A 78 7.689 -10.789 6.503 1.00 0.00 C ATOM 568 NZ LYS A 78 6.315 -10.254 6.517 1.00 0.00 N ATOM 0 H LYS A 78 7.489 -7.004 3.980 1.00 0.00 H new ATOM 0 HA LYS A 78 10.136 -7.262 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.102 -8.583 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.381 -9.132 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.401 -9.191 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.420 -10.566 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.710 -10.161 6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.627 -8.838 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.711 -11.715 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.991 -11.037 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.636 -11.039 6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.154 -9.734 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.185 -9.611 5.710 1.00 0.00 H new ATOM 569 N LEU A 79 9.951 -5.016 3.257 1.00 0.00 N ATOM 570 CA LEU A 79 10.676 -4.095 2.382 1.00 0.00 C ATOM 571 C LEU A 79 12.100 -3.932 2.918 1.00 0.00 C ATOM 572 O LEU A 79 12.957 -3.477 2.130 1.00 0.00 O ATOM 573 CB LEU A 79 9.984 -2.727 2.325 1.00 0.00 C ATOM 574 CG LEU A 79 8.725 -2.782 1.459 1.00 0.00 C ATOM 575 CD1 LEU A 79 7.775 -1.628 1.783 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.999 -2.691 -0.034 1.00 0.00 C ATOM 577 OXT LEU A 79 12.306 -4.211 4.122 1.00 0.00 O ATOM 0 H LEU A 79 9.244 -4.577 3.847 1.00 0.00 H new ATOM 0 HA LEU A 79 10.694 -4.504 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.722 -2.407 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.673 -1.984 1.923 1.00 0.00 H new ATOM 0 HG LEU A 79 8.288 -3.753 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.890 -1.696 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.477 -1.685 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.279 -0.679 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.057 -2.737 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.501 -1.749 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.636 -3.522 -0.338 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.462 3.841 -2.180 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.137 5.121 0.933 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.095 0.697 -0.898 1.00 7.91 C HETATM 582 CHC HEM A 80 0.268 2.605 -5.347 1.00 6.02 C HETATM 583 CHD HEM A 80 1.078 6.998 -3.411 1.00 10.53 C HETATM 584 NA HEM A 80 0.255 3.051 -0.351 1.00 6.22 N HETATM 585 C1A HEM A 80 0.186 3.749 0.828 1.00 6.23 C HETATM 586 C2A HEM A 80 0.237 2.858 1.948 1.00 8.27 C HETATM 587 C3A HEM A 80 0.085 1.609 1.459 1.00 7.07 C HETATM 588 C4A HEM A 80 0.075 1.732 0.011 1.00 9.92 C HETATM 589 CMA HEM A 80 0.025 0.342 2.256 1.00 7.00 C HETATM 590 CAA HEM A 80 0.517 3.295 3.356 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.611 4.050 4.080 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.209 5.404 4.666 1.00 22.27 C HETATM 593 O1A HEM A 80 0.917 5.846 4.448 1.00 18.65 O HETATM 594 O2A HEM A 80 -1.032 5.996 5.362 1.00 17.21 O HETATM 595 NB HEM A 80 0.071 2.043 -2.963 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.174 0.864 -2.280 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.504 -0.184 -3.210 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.255 0.302 -4.457 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.029 1.714 -4.304 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.937 -1.567 -2.811 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.185 -0.471 -5.756 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.421 -1.276 -6.164 1.00 6.48 C HETATM 603 NC HEM A 80 0.692 4.632 -4.008 1.00 3.58 N HETATM 604 C1C HEM A 80 0.564 3.958 -5.207 1.00 4.45 C HETATM 605 C2C HEM A 80 0.828 4.844 -6.311 1.00 5.77 C HETATM 606 C3C HEM A 80 1.180 6.048 -5.784 1.00 8.44 C HETATM 607 C4C HEM A 80 0.994 5.947 -4.338 1.00 11.13 C HETATM 608 CMC HEM A 80 0.769 4.424 -7.759 1.00 8.62 C HETATM 609 CAC HEM A 80 1.674 7.263 -6.539 1.00 3.39 C HETATM 610 CBC HEM A 80 0.538 8.039 -7.217 1.00 10.94 C HETATM 611 ND HEM A 80 0.592 5.685 -1.399 1.00 4.28 N HETATM 612 C1D HEM A 80 0.873 6.877 -2.032 1.00 5.02 C HETATM 613 C2D HEM A 80 0.944 7.952 -1.040 1.00 3.97 C HETATM 614 C3D HEM A 80 0.687 7.391 0.180 1.00 5.11 C HETATM 615 C4D HEM A 80 0.429 6.009 -0.073 1.00 9.05 C HETATM 616 CMD HEM A 80 1.277 9.386 -1.348 1.00 5.28 C HETATM 617 CAD HEM A 80 0.676 7.983 1.588 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.607 8.734 1.948 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.848 9.946 1.063 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.383 11.025 1.417 1.00 8.25 O HETATM 621 O2D HEM A 80 -1.560 9.819 0.069 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.537 -0.410 1.702 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.468 0.535 3.209 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.036 -0.022 2.438 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.480 -1.830 -1.857 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -0.623 -2.280 -3.573 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -2.022 -1.594 -2.713 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.477 5.276 -8.373 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.037 3.624 -7.876 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.750 4.068 -8.075 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.941 9.428 -2.211 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.771 9.838 -0.488 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.360 9.933 -1.568 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.417 -1.848 -7.092 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.306 -1.277 -5.527 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.760 8.937 -7.794 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.491 7.693 -7.122 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.991 3.421 4.885 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.433 4.203 3.380 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.401 3.932 3.346 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.767 2.412 3.943 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.555 9.054 2.989 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.456 8.055 1.865 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.521 8.663 1.689 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 0.826 7.179 2.308 1.00 9.04 H new HETATM 0 HHA HEM A 80 -0.156 5.534 1.887 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.171 -0.307 -0.508 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.220 2.212 -6.352 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.320 7.979 -3.793 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.711 -0.455 -6.377 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.723 7.555 -6.595 1.00 3.39 H new