USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 CYS SG : rot 40:sc= 0.866 USER MOD Set 1.2: A 59 TYR OH : rot -33:sc= 0.86 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0665 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0824 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 11 THR OG1 : rot 100:sc= -0.134 USER MOD Single : A 16 GLN : amide:sc= -4.89! K(o=-4.9!,f=-3.2) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.68! C(o=-3.7!,f=-20!) USER MOD Single : A 35 CYS SG : rot -4:sc= -6.67! USER MOD Single : A 36 MET CE :methyl -161:sc= -2.81! (180deg=-4.11!) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= 0.39 (180deg=0.225) USER MOD Single : A 42 MET CE :methyl 162:sc= -5.78! (180deg=-7.89!) USER MOD Single : A 43 TYR OH : rot 116:sc= 1.23 USER MOD Single : A 46 HIS : no HD1:sc= -0.601 K(o=-0.6,f=-0.058) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -146:sc= -0.405 (180deg=-2.03!) USER MOD Single : A 51 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.32) USER MOD Single : A 53 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.027) USER MOD Single : A 54 SER OG : rot -160:sc= -1.56 USER MOD Single : A 56 SER OG : rot -19:sc= 0.684 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.083 X(o=-0.083,f=-0.49) USER MOD Single : A 75 SER OG : rot -79:sc= 0.0361 USER MOD Single : A 76 CYS SG : rot 2:sc= 0.037 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 165:sc= -0.935 USER MOD Single : A 84 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -2.64 X(o=-2.6,f=-2.6) USER MOD Single : A 89 TYR OH : rot 37:sc= -1.94! USER MOD Single : A 90 ASN : amide:sc= 0.018 K(o=0.018,f=-1.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -137:sc= -0.153 (180deg=-0.983) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 1.78 (180deg=1.68) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.2!) USER MOD Single : A 108 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.9!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.460 11.458 29.007 1.00 0.00 N ATOM 2 CA GLY A 1 8.083 12.622 28.223 1.00 0.00 C ATOM 3 C GLY A 1 8.960 12.749 26.975 1.00 0.00 C ATOM 4 O GLY A 1 10.067 12.216 26.933 1.00 0.00 O ATOM 0 H1 GLY A 1 7.670 10.782 29.027 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.292 11.005 28.578 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.689 11.753 29.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.036 12.544 27.930 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.178 13.521 28.832 1.00 0.00 H new ATOM 8 N SER A 2 8.431 13.459 25.989 1.00 0.00 N ATOM 9 CA SER A 2 9.151 13.664 24.744 1.00 0.00 C ATOM 10 C SER A 2 8.694 14.965 24.083 1.00 0.00 C ATOM 11 O SER A 2 7.513 15.306 24.125 1.00 0.00 O ATOM 12 CB SER A 2 8.949 12.484 23.791 1.00 0.00 C ATOM 13 OG SER A 2 10.078 11.616 23.769 1.00 0.00 O ATOM 0 H SER A 2 7.512 13.900 26.027 1.00 0.00 H new ATOM 0 HA SER A 2 10.215 13.735 24.971 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.065 11.922 24.093 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.760 12.859 22.785 1.00 0.00 H new ATOM 0 HG SER A 2 9.909 10.875 23.150 1.00 0.00 H new ATOM 19 N GLU A 3 9.654 15.658 23.487 1.00 0.00 N ATOM 20 CA GLU A 3 9.364 16.915 22.817 1.00 0.00 C ATOM 21 C GLU A 3 10.613 17.435 22.102 1.00 0.00 C ATOM 22 O GLU A 3 11.685 17.518 22.699 1.00 0.00 O ATOM 23 CB GLU A 3 8.826 17.951 23.806 1.00 0.00 C ATOM 24 CG GLU A 3 7.374 18.310 23.487 1.00 0.00 C ATOM 25 CD GLU A 3 7.266 19.007 22.129 1.00 0.00 C ATOM 26 OE1 GLU A 3 7.315 18.280 21.113 1.00 0.00 O ATOM 27 OE2 GLU A 3 7.138 20.250 22.137 1.00 0.00 O ATOM 0 H GLU A 3 10.633 15.373 23.454 1.00 0.00 H new ATOM 0 HA GLU A 3 8.590 16.738 22.071 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.893 17.559 24.821 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.443 18.849 23.769 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.764 17.406 23.485 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.977 18.961 24.266 1.00 0.00 H new ATOM 34 N GLY A 4 10.432 17.772 20.834 1.00 0.00 N ATOM 35 CA GLY A 4 11.531 18.282 20.031 1.00 0.00 C ATOM 36 C GLY A 4 11.044 18.713 18.646 1.00 0.00 C ATOM 37 O GLY A 4 10.123 19.520 18.532 1.00 0.00 O ATOM 0 H GLY A 4 9.541 17.702 20.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.994 19.129 20.538 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.298 17.514 19.928 1.00 0.00 H new ATOM 41 N ALA A 5 11.685 18.155 17.629 1.00 0.00 N ATOM 42 CA ALA A 5 11.328 18.472 16.256 1.00 0.00 C ATOM 43 C ALA A 5 10.820 17.208 15.561 1.00 0.00 C ATOM 44 O ALA A 5 11.142 16.095 15.976 1.00 0.00 O ATOM 45 CB ALA A 5 12.536 19.083 15.544 1.00 0.00 C ATOM 0 H ALA A 5 12.449 17.486 17.728 1.00 0.00 H new ATOM 0 HA ALA A 5 10.525 19.209 16.228 1.00 0.00 H new ATOM 0 HB1 ALA A 5 12.269 19.321 14.514 1.00 0.00 H new ATOM 0 HB2 ALA A 5 12.840 19.994 16.060 1.00 0.00 H new ATOM 0 HB3 ALA A 5 13.361 18.370 15.550 1.00 0.00 H new ATOM 51 N ALA A 6 10.034 17.421 14.516 1.00 0.00 N ATOM 52 CA ALA A 6 9.477 16.312 13.760 1.00 0.00 C ATOM 53 C ALA A 6 9.628 16.595 12.264 1.00 0.00 C ATOM 54 O ALA A 6 9.730 17.750 11.854 1.00 0.00 O ATOM 55 CB ALA A 6 8.019 16.096 14.168 1.00 0.00 C ATOM 0 H ALA A 6 9.770 18.345 14.175 1.00 0.00 H new ATOM 0 HA ALA A 6 10.016 15.390 13.978 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.602 15.264 13.601 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.969 15.870 15.233 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.446 17.000 13.961 1.00 0.00 H new ATOM 61 N THR A 7 9.637 15.520 11.489 1.00 0.00 N ATOM 62 CA THR A 7 9.773 15.638 10.047 1.00 0.00 C ATOM 63 C THR A 7 8.838 14.654 9.341 1.00 0.00 C ATOM 64 O THR A 7 8.587 13.560 9.844 1.00 0.00 O ATOM 65 CB THR A 7 11.248 15.435 9.693 1.00 0.00 C ATOM 66 OG1 THR A 7 11.909 16.532 10.318 1.00 0.00 O ATOM 67 CG2 THR A 7 11.525 15.633 8.202 1.00 0.00 C ATOM 0 H THR A 7 9.552 14.563 11.833 1.00 0.00 H new ATOM 0 HA THR A 7 9.474 16.627 9.701 1.00 0.00 H new ATOM 0 HB THR A 7 11.558 14.433 9.989 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.871 16.478 10.141 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.586 15.477 8.005 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.940 14.917 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.247 16.646 7.912 1.00 0.00 H new ATOM 75 N MET A 8 8.348 15.079 8.185 1.00 0.00 N ATOM 76 CA MET A 8 7.446 14.249 7.405 1.00 0.00 C ATOM 77 C MET A 8 8.204 13.495 6.310 1.00 0.00 C ATOM 78 O MET A 8 9.180 14.004 5.762 1.00 0.00 O ATOM 79 CB MET A 8 6.368 15.127 6.767 1.00 0.00 C ATOM 80 CG MET A 8 6.994 16.279 5.978 1.00 0.00 C ATOM 81 SD MET A 8 5.923 16.749 4.629 1.00 0.00 S ATOM 82 CE MET A 8 6.881 18.079 3.923 1.00 0.00 C ATOM 0 H MET A 8 8.559 15.987 7.770 1.00 0.00 H new ATOM 0 HA MET A 8 6.986 13.519 8.071 1.00 0.00 H new ATOM 0 HB2 MET A 8 5.747 14.523 6.105 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.713 15.526 7.542 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.160 17.132 6.635 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.968 15.979 5.592 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.354 18.490 3.062 1.00 0.00 H new ATOM 0 HE2 MET A 8 7.023 18.861 4.669 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.852 17.699 3.606 1.00 0.00 H new ATOM 92 N SER A 9 7.726 12.292 6.025 1.00 0.00 N ATOM 93 CA SER A 9 8.346 11.463 5.006 1.00 0.00 C ATOM 94 C SER A 9 7.621 10.119 4.912 1.00 0.00 C ATOM 95 O SER A 9 6.667 9.871 5.649 1.00 0.00 O ATOM 96 CB SER A 9 9.831 11.245 5.301 1.00 0.00 C ATOM 97 OG SER A 9 10.662 11.746 4.258 1.00 0.00 O ATOM 0 H SER A 9 6.917 11.872 6.482 1.00 0.00 H new ATOM 0 HA SER A 9 8.265 11.980 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.090 11.737 6.239 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.021 10.180 5.436 1.00 0.00 H new ATOM 0 HG SER A 9 11.602 11.589 4.485 1.00 0.00 H new ATOM 103 N HIS A 10 8.101 9.286 4.000 1.00 0.00 N ATOM 104 CA HIS A 10 7.510 7.973 3.801 1.00 0.00 C ATOM 105 C HIS A 10 6.090 8.127 3.254 1.00 0.00 C ATOM 106 O HIS A 10 5.699 9.214 2.829 1.00 0.00 O ATOM 107 CB HIS A 10 7.562 7.153 5.092 1.00 0.00 C ATOM 108 CG HIS A 10 8.954 6.973 5.649 1.00 0.00 C ATOM 109 ND1 HIS A 10 9.232 7.033 7.004 1.00 0.00 N ATOM 110 CD2 HIS A 10 10.141 6.734 5.022 1.00 0.00 C ATOM 111 CE1 HIS A 10 10.532 6.838 7.172 1.00 0.00 C ATOM 112 NE2 HIS A 10 11.093 6.653 5.943 1.00 0.00 N ATOM 0 H HIS A 10 8.892 9.495 3.391 1.00 0.00 H new ATOM 0 HA HIS A 10 8.088 7.418 3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.941 7.639 5.844 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.127 6.171 4.905 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.282 6.629 3.957 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.055 6.827 8.117 1.00 0.00 H new ATOM 0 HE2 HIS A 10 12.082 6.481 5.761 1.00 0.00 H new ATOM 120 N THR A 11 5.356 7.024 3.281 1.00 0.00 N ATOM 121 CA THR A 11 3.988 7.023 2.793 1.00 0.00 C ATOM 122 C THR A 11 3.007 7.195 3.954 1.00 0.00 C ATOM 123 O THR A 11 3.328 6.869 5.096 1.00 0.00 O ATOM 124 CB THR A 11 3.770 5.733 2.000 1.00 0.00 C ATOM 125 OG1 THR A 11 4.341 6.009 0.724 1.00 0.00 O ATOM 126 CG2 THR A 11 2.293 5.473 1.698 1.00 0.00 C ATOM 0 H THR A 11 5.684 6.125 3.634 1.00 0.00 H new ATOM 0 HA THR A 11 3.805 7.866 2.127 1.00 0.00 H new ATOM 0 HB THR A 11 4.180 4.891 2.558 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.235 5.612 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.195 4.546 1.134 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.740 5.389 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.891 6.299 1.111 1.00 0.00 H new ATOM 134 N ILE A 12 1.831 7.707 3.623 1.00 0.00 N ATOM 135 CA ILE A 12 0.801 7.927 4.624 1.00 0.00 C ATOM 136 C ILE A 12 -0.451 7.133 4.244 1.00 0.00 C ATOM 137 O ILE A 12 -0.975 7.283 3.142 1.00 0.00 O ATOM 138 CB ILE A 12 0.546 9.424 4.812 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.801 10.133 5.324 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.660 9.665 5.721 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.744 11.633 5.025 1.00 0.00 C ATOM 0 H ILE A 12 1.568 7.976 2.675 1.00 0.00 H new ATOM 0 HA ILE A 12 1.130 7.559 5.596 1.00 0.00 H new ATOM 0 HB ILE A 12 0.307 9.855 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.899 9.976 6.398 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.685 9.699 4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.819 10.737 5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.547 9.213 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.475 9.217 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.648 12.113 5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.671 11.787 3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.873 12.069 5.514 1.00 0.00 H new ATOM 153 N LEU A 13 -0.894 6.305 5.179 1.00 0.00 N ATOM 154 CA LEU A 13 -2.074 5.488 4.957 1.00 0.00 C ATOM 155 C LEU A 13 -3.142 5.848 5.991 1.00 0.00 C ATOM 156 O LEU A 13 -2.903 5.753 7.194 1.00 0.00 O ATOM 157 CB LEU A 13 -1.704 4.003 4.947 1.00 0.00 C ATOM 158 CG LEU A 13 -2.769 3.049 4.403 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.589 2.437 5.541 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.655 3.748 3.370 1.00 0.00 C ATOM 0 H LEU A 13 -0.456 6.183 6.092 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.499 5.694 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.797 3.879 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.462 3.702 5.967 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.264 2.229 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.339 1.763 5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.929 1.881 6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.084 3.231 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.403 3.048 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.153 4.599 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.041 4.096 2.540 1.00 0.00 H new ATOM 172 N LEU A 14 -4.297 6.255 5.485 1.00 0.00 N ATOM 173 CA LEU A 14 -5.402 6.631 6.351 1.00 0.00 C ATOM 174 C LEU A 14 -6.634 5.799 5.988 1.00 0.00 C ATOM 175 O LEU A 14 -6.627 5.075 4.993 1.00 0.00 O ATOM 176 CB LEU A 14 -5.640 8.141 6.291 1.00 0.00 C ATOM 177 CG LEU A 14 -5.071 8.862 5.068 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.541 8.835 5.078 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.646 8.283 3.773 1.00 0.00 C ATOM 0 H LEU A 14 -4.492 6.333 4.487 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.163 6.411 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.714 8.321 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.211 8.592 7.186 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.375 9.908 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.162 9.354 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.174 9.330 5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.195 7.801 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.225 8.813 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.393 7.225 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.730 8.398 3.773 1.00 0.00 H new ATOM 191 N VAL A 15 -7.662 5.931 6.813 1.00 0.00 N ATOM 192 CA VAL A 15 -8.898 5.201 6.591 1.00 0.00 C ATOM 193 C VAL A 15 -10.086 6.097 6.950 1.00 0.00 C ATOM 194 O VAL A 15 -10.203 6.553 8.086 1.00 0.00 O ATOM 195 CB VAL A 15 -8.880 3.889 7.378 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.215 3.657 8.088 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.529 2.709 6.469 1.00 0.00 C ATOM 0 H VAL A 15 -7.664 6.533 7.636 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.999 4.932 5.539 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.105 3.966 8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.175 2.718 8.640 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.406 4.477 8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.016 3.611 7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.523 1.789 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.270 2.629 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.543 2.867 6.032 1.00 0.00 H new ATOM 207 N GLN A 16 -10.937 6.321 5.959 1.00 0.00 N ATOM 208 CA GLN A 16 -12.111 7.154 6.156 1.00 0.00 C ATOM 209 C GLN A 16 -13.380 6.374 5.807 1.00 0.00 C ATOM 210 O GLN A 16 -13.763 6.295 4.641 1.00 0.00 O ATOM 211 CB GLN A 16 -12.015 8.441 5.334 1.00 0.00 C ATOM 212 CG GLN A 16 -13.195 9.369 5.628 1.00 0.00 C ATOM 213 CD GLN A 16 -13.312 9.648 7.128 1.00 0.00 C ATOM 214 OE1 GLN A 16 -12.577 10.438 7.698 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.274 8.957 7.733 1.00 0.00 N ATOM 0 H GLN A 16 -10.837 5.940 5.018 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.159 7.437 7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.080 8.953 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.995 8.198 4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.067 10.308 5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.118 8.916 5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.853 8.312 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.432 9.072 8.734 1.00 0.00 H new ATOM 224 N PRO A 17 -14.013 5.802 6.867 1.00 0.00 N ATOM 225 CA PRO A 17 -15.230 5.031 6.684 1.00 0.00 C ATOM 226 C PRO A 17 -16.426 5.948 6.420 1.00 0.00 C ATOM 227 O PRO A 17 -17.165 5.749 5.457 1.00 0.00 O ATOM 228 CB PRO A 17 -15.376 4.217 7.960 1.00 0.00 C ATOM 229 CG PRO A 17 -14.498 4.903 8.994 1.00 0.00 C ATOM 230 CD PRO A 17 -13.587 5.875 8.261 1.00 0.00 C ATOM 0 HA PRO A 17 -15.186 4.377 5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.415 4.187 8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.062 3.185 7.803 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.110 5.431 9.725 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.909 4.168 9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.689 6.887 8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.539 5.595 8.370 1.00 0.00 H new ATOM 238 N THR A 18 -16.579 6.933 7.293 1.00 0.00 N ATOM 239 CA THR A 18 -17.673 7.882 7.166 1.00 0.00 C ATOM 240 C THR A 18 -17.130 9.293 6.930 1.00 0.00 C ATOM 241 O THR A 18 -16.171 9.476 6.182 1.00 0.00 O ATOM 242 CB THR A 18 -18.544 7.768 8.418 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.683 8.170 9.479 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.899 6.318 8.755 1.00 0.00 C ATOM 0 H THR A 18 -15.964 7.095 8.091 1.00 0.00 H new ATOM 0 HA THR A 18 -18.294 7.657 6.299 1.00 0.00 H new ATOM 0 HB THR A 18 -19.460 8.342 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.169 8.127 10.329 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.518 6.294 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.447 5.875 7.924 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.985 5.751 8.930 1.00 0.00 H new ATOM 252 N LYS A 19 -17.767 10.254 7.582 1.00 0.00 N ATOM 253 CA LYS A 19 -17.360 11.643 7.452 1.00 0.00 C ATOM 254 C LYS A 19 -16.819 12.139 8.795 1.00 0.00 C ATOM 255 O LYS A 19 -15.878 12.930 8.834 1.00 0.00 O ATOM 256 CB LYS A 19 -18.511 12.489 6.903 1.00 0.00 C ATOM 257 CG LYS A 19 -18.792 12.148 5.439 1.00 0.00 C ATOM 258 CD LYS A 19 -19.915 11.115 5.322 1.00 0.00 C ATOM 259 CE LYS A 19 -19.521 9.982 4.372 1.00 0.00 C ATOM 260 NZ LYS A 19 -19.709 10.398 2.964 1.00 0.00 N ATOM 0 H LYS A 19 -18.562 10.099 8.202 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.551 11.737 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.408 12.319 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.264 13.547 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.068 13.053 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.887 11.761 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.142 10.706 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.823 11.599 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.480 9.704 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.124 9.098 4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.437 9.618 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.707 10.641 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.115 11.228 2.765 1.00 0.00 H new ATOM 274 N ARG A 20 -17.436 11.653 9.862 1.00 0.00 N ATOM 275 CA ARG A 20 -17.028 12.037 11.202 1.00 0.00 C ATOM 276 C ARG A 20 -15.501 12.054 11.307 1.00 0.00 C ATOM 277 O ARG A 20 -14.816 11.355 10.562 1.00 0.00 O ATOM 278 CB ARG A 20 -17.593 11.074 12.247 1.00 0.00 C ATOM 279 CG ARG A 20 -19.049 11.412 12.574 1.00 0.00 C ATOM 280 CD ARG A 20 -19.137 12.653 13.465 1.00 0.00 C ATOM 281 NE ARG A 20 -20.509 12.794 14.002 1.00 0.00 N ATOM 282 CZ ARG A 20 -20.986 12.091 15.038 1.00 0.00 C ATOM 283 NH1 ARG A 20 -20.206 11.193 15.655 1.00 0.00 N ATOM 284 NH2 ARG A 20 -22.244 12.286 15.457 1.00 0.00 N ATOM 0 H ARG A 20 -18.216 10.996 9.825 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.421 13.035 11.395 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.528 10.051 11.877 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -16.992 11.123 13.155 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.603 11.583 11.651 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.519 10.566 13.075 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.423 12.574 14.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.868 13.541 12.893 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.130 13.469 13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -19.249 11.044 15.336 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.570 10.658 16.444 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.838 12.969 14.987 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -22.608 11.751 16.246 1.00 0.00 H new ATOM 298 N PRO A 21 -15.000 12.881 12.263 1.00 0.00 N ATOM 299 CA PRO A 21 -13.568 12.999 12.476 1.00 0.00 C ATOM 300 C PRO A 21 -13.019 11.769 13.203 1.00 0.00 C ATOM 301 O PRO A 21 -11.833 11.460 13.099 1.00 0.00 O ATOM 302 CB PRO A 21 -13.391 14.285 13.267 1.00 0.00 C ATOM 303 CG PRO A 21 -14.753 14.595 13.867 1.00 0.00 C ATOM 304 CD PRO A 21 -15.781 13.724 13.164 1.00 0.00 C ATOM 0 HA PRO A 21 -13.006 13.042 11.543 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.639 14.164 14.047 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.054 15.097 12.623 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -14.752 14.395 14.939 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.995 15.650 13.739 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.346 13.124 13.878 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.503 14.329 12.614 1.00 0.00 H new ATOM 312 N GLU A 22 -13.908 11.102 13.923 1.00 0.00 N ATOM 313 CA GLU A 22 -13.528 9.913 14.668 1.00 0.00 C ATOM 314 C GLU A 22 -12.836 8.907 13.745 1.00 0.00 C ATOM 315 O GLU A 22 -11.922 8.200 14.165 1.00 0.00 O ATOM 316 CB GLU A 22 -14.742 9.284 15.353 1.00 0.00 C ATOM 317 CG GLU A 22 -15.501 8.368 14.391 1.00 0.00 C ATOM 318 CD GLU A 22 -16.857 7.964 14.974 1.00 0.00 C ATOM 319 OE1 GLU A 22 -17.583 8.883 15.412 1.00 0.00 O ATOM 320 OE2 GLU A 22 -17.137 6.746 14.968 1.00 0.00 O ATOM 0 H GLU A 22 -14.891 11.362 14.007 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.824 10.205 15.447 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.418 8.714 16.224 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.407 10.068 15.715 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.648 8.877 13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.908 7.476 14.188 1.00 0.00 H new ATOM 327 N GLY A 23 -13.300 8.875 12.504 1.00 0.00 N ATOM 328 CA GLY A 23 -12.738 7.968 11.518 1.00 0.00 C ATOM 329 C GLY A 23 -11.487 8.567 10.872 1.00 0.00 C ATOM 330 O GLY A 23 -10.637 7.838 10.363 1.00 0.00 O ATOM 0 H GLY A 23 -14.059 9.463 12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.488 7.019 11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.481 7.754 10.750 1.00 0.00 H new ATOM 334 N ARG A 24 -11.413 9.889 10.914 1.00 0.00 N ATOM 335 CA ARG A 24 -10.280 10.595 10.339 1.00 0.00 C ATOM 336 C ARG A 24 -8.988 10.195 11.054 1.00 0.00 C ATOM 337 O ARG A 24 -8.566 10.861 11.998 1.00 0.00 O ATOM 338 CB ARG A 24 -10.465 12.110 10.443 1.00 0.00 C ATOM 339 CG ARG A 24 -10.775 12.719 9.074 1.00 0.00 C ATOM 340 CD ARG A 24 -12.100 13.484 9.102 1.00 0.00 C ATOM 341 NE ARG A 24 -11.935 14.754 9.844 1.00 0.00 N ATOM 342 CZ ARG A 24 -11.242 15.806 9.389 1.00 0.00 C ATOM 343 NH1 ARG A 24 -10.645 15.747 8.191 1.00 0.00 N ATOM 344 NH2 ARG A 24 -11.146 16.918 10.131 1.00 0.00 N ATOM 0 H ARG A 24 -12.120 10.490 11.338 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.217 10.320 9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.275 12.334 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.561 12.563 10.851 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.969 13.391 8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.822 11.930 8.323 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.433 13.688 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.871 12.875 9.574 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.377 14.833 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.718 14.901 7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.117 16.548 7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.601 16.964 11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.618 17.719 9.784 1.00 0.00 H new ATOM 358 N THR A 25 -8.397 9.110 10.577 1.00 0.00 N ATOM 359 CA THR A 25 -7.161 8.614 11.159 1.00 0.00 C ATOM 360 C THR A 25 -6.131 8.332 10.063 1.00 0.00 C ATOM 361 O THR A 25 -6.492 8.121 8.907 1.00 0.00 O ATOM 362 CB THR A 25 -7.498 7.385 12.007 1.00 0.00 C ATOM 363 OG1 THR A 25 -6.310 7.146 12.757 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.667 6.120 11.163 1.00 0.00 C ATOM 0 H THR A 25 -8.751 8.560 9.794 1.00 0.00 H new ATOM 0 HA THR A 25 -6.702 9.360 11.808 1.00 0.00 H new ATOM 0 HB THR A 25 -8.413 7.571 12.569 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.440 6.366 13.336 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.905 5.278 11.813 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.476 6.266 10.447 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.741 5.914 10.627 1.00 0.00 H new ATOM 372 N TYR A 26 -4.869 8.338 10.467 1.00 0.00 N ATOM 373 CA TYR A 26 -3.784 8.086 9.534 1.00 0.00 C ATOM 374 C TYR A 26 -2.671 7.271 10.195 1.00 0.00 C ATOM 375 O TYR A 26 -2.602 7.187 11.420 1.00 0.00 O ATOM 376 CB TYR A 26 -3.233 9.460 9.147 1.00 0.00 C ATOM 377 CG TYR A 26 -4.307 10.536 8.976 1.00 0.00 C ATOM 378 CD1 TYR A 26 -4.878 11.124 10.086 1.00 0.00 C ATOM 379 CD2 TYR A 26 -4.705 10.919 7.711 1.00 0.00 C ATOM 380 CE1 TYR A 26 -5.889 12.136 9.925 1.00 0.00 C ATOM 381 CE2 TYR A 26 -5.716 11.932 7.550 1.00 0.00 C ATOM 382 CZ TYR A 26 -6.258 12.490 8.665 1.00 0.00 C ATOM 383 OH TYR A 26 -7.213 13.447 8.513 1.00 0.00 O ATOM 0 H TYR A 26 -4.574 8.513 11.427 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.141 7.521 8.673 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.526 9.785 9.911 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.675 9.367 8.215 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.566 10.825 11.076 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.258 10.459 6.842 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.344 12.604 10.786 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.036 12.241 6.566 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.375 13.599 7.558 1.00 0.00 H new ATOM 393 N ALA A 27 -1.826 6.692 9.354 1.00 0.00 N ATOM 394 CA ALA A 27 -0.720 5.886 9.841 1.00 0.00 C ATOM 395 C ALA A 27 0.570 6.324 9.143 1.00 0.00 C ATOM 396 O ALA A 27 0.540 7.164 8.246 1.00 0.00 O ATOM 397 CB ALA A 27 -1.029 4.405 9.618 1.00 0.00 C ATOM 0 H ALA A 27 -1.885 6.765 8.338 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.582 6.032 10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.199 3.801 9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.937 4.138 10.158 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.171 4.219 8.553 1.00 0.00 H new ATOM 403 N ASP A 28 1.672 5.733 9.582 1.00 0.00 N ATOM 404 CA ASP A 28 2.969 6.051 9.011 1.00 0.00 C ATOM 405 C ASP A 28 3.795 4.769 8.885 1.00 0.00 C ATOM 406 O ASP A 28 4.094 4.119 9.885 1.00 0.00 O ATOM 407 CB ASP A 28 3.741 7.024 9.904 1.00 0.00 C ATOM 408 CG ASP A 28 3.573 6.794 11.407 1.00 0.00 C ATOM 409 OD1 ASP A 28 4.248 5.876 11.920 1.00 0.00 O ATOM 410 OD2 ASP A 28 2.773 7.542 12.010 1.00 0.00 O ATOM 0 H ASP A 28 1.693 5.036 10.326 1.00 0.00 H new ATOM 0 HA ASP A 28 2.804 6.510 8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.801 6.957 9.658 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.423 8.040 9.669 1.00 0.00 H new ATOM 415 N TYR A 29 4.139 4.444 7.647 1.00 0.00 N ATOM 416 CA TYR A 29 4.924 3.251 7.378 1.00 0.00 C ATOM 417 C TYR A 29 6.252 3.608 6.708 1.00 0.00 C ATOM 418 O TYR A 29 6.552 4.783 6.503 1.00 0.00 O ATOM 419 CB TYR A 29 4.090 2.406 6.413 1.00 0.00 C ATOM 420 CG TYR A 29 2.839 1.792 7.045 1.00 0.00 C ATOM 421 CD1 TYR A 29 1.654 2.499 7.057 1.00 0.00 C ATOM 422 CD2 TYR A 29 2.896 0.531 7.603 1.00 0.00 C ATOM 423 CE1 TYR A 29 0.477 1.921 7.652 1.00 0.00 C ATOM 424 CE2 TYR A 29 1.719 -0.047 8.197 1.00 0.00 C ATOM 425 CZ TYR A 29 0.567 0.676 8.193 1.00 0.00 C ATOM 426 OH TYR A 29 -0.544 0.130 8.754 1.00 0.00 O ATOM 0 H TYR A 29 3.889 4.986 6.820 1.00 0.00 H new ATOM 0 HA TYR A 29 5.152 2.724 8.305 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.791 3.027 5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.714 1.606 6.015 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.609 3.486 6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.824 -0.022 7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.457 2.464 7.668 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.750 -1.033 8.636 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.332 -0.762 9.099 1.00 0.00 H new ATOM 436 N GLU A 30 7.012 2.572 6.384 1.00 0.00 N ATOM 437 CA GLU A 30 8.301 2.762 5.741 1.00 0.00 C ATOM 438 C GLU A 30 8.123 2.912 4.228 1.00 0.00 C ATOM 439 O GLU A 30 8.505 3.929 3.652 1.00 0.00 O ATOM 440 CB GLU A 30 9.253 1.610 6.069 1.00 0.00 C ATOM 441 CG GLU A 30 10.100 1.934 7.302 1.00 0.00 C ATOM 442 CD GLU A 30 11.433 1.183 7.263 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.208 1.452 6.320 1.00 0.00 O ATOM 444 OE2 GLU A 30 11.647 0.358 8.177 1.00 0.00 O ATOM 0 H GLU A 30 6.760 1.599 6.555 1.00 0.00 H new ATOM 0 HA GLU A 30 8.746 3.679 6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.681 0.699 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.904 1.417 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.284 3.007 7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.553 1.664 8.205 1.00 0.00 H new ATOM 451 N SER A 31 7.542 1.883 3.629 1.00 0.00 N ATOM 452 CA SER A 31 7.308 1.887 2.195 1.00 0.00 C ATOM 453 C SER A 31 5.806 1.833 1.909 1.00 0.00 C ATOM 454 O SER A 31 4.998 1.735 2.832 1.00 0.00 O ATOM 455 CB SER A 31 8.019 0.714 1.517 1.00 0.00 C ATOM 456 OG SER A 31 9.376 1.020 1.205 1.00 0.00 O ATOM 0 H SER A 31 7.226 1.041 4.110 1.00 0.00 H new ATOM 0 HA SER A 31 7.717 2.811 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.985 -0.157 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.488 0.448 0.603 1.00 0.00 H new ATOM 0 HG SER A 31 9.795 0.246 0.775 1.00 0.00 H new ATOM 462 N VAL A 32 5.477 1.900 0.627 1.00 0.00 N ATOM 463 CA VAL A 32 4.086 1.861 0.209 1.00 0.00 C ATOM 464 C VAL A 32 3.501 0.483 0.526 1.00 0.00 C ATOM 465 O VAL A 32 2.463 0.380 1.178 1.00 0.00 O ATOM 466 CB VAL A 32 3.974 2.231 -1.272 1.00 0.00 C ATOM 467 CG1 VAL A 32 2.886 1.406 -1.962 1.00 0.00 C ATOM 468 CG2 VAL A 32 3.720 3.729 -1.444 1.00 0.00 C ATOM 0 H VAL A 32 6.150 1.981 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 32 3.501 2.597 0.760 1.00 0.00 H new ATOM 0 HB VAL A 32 4.925 1.996 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.827 1.688 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.129 0.346 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.926 1.595 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.644 3.966 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.790 4.000 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.544 4.291 -1.005 1.00 0.00 H new ATOM 478 N ASN A 33 4.193 -0.542 0.051 1.00 0.00 N ATOM 479 CA ASN A 33 3.756 -1.909 0.276 1.00 0.00 C ATOM 480 C ASN A 33 3.222 -2.041 1.704 1.00 0.00 C ATOM 481 O ASN A 33 2.132 -2.570 1.917 1.00 0.00 O ATOM 482 CB ASN A 33 4.916 -2.893 0.112 1.00 0.00 C ATOM 483 CG ASN A 33 6.256 -2.212 0.395 1.00 0.00 C ATOM 484 OD1 ASN A 33 6.371 -1.335 1.236 1.00 0.00 O ATOM 485 ND2 ASN A 33 7.260 -2.663 -0.351 1.00 0.00 N ATOM 0 H ASN A 33 5.054 -0.453 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 33 2.982 -2.140 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.782 -3.736 0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.915 -3.296 -0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.195 -2.272 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.095 -3.400 -1.037 1.00 0.00 H new ATOM 492 N GLU A 34 4.015 -1.551 2.645 1.00 0.00 N ATOM 493 CA GLU A 34 3.637 -1.607 4.047 1.00 0.00 C ATOM 494 C GLU A 34 2.271 -0.950 4.254 1.00 0.00 C ATOM 495 O GLU A 34 1.419 -1.489 4.959 1.00 0.00 O ATOM 496 CB GLU A 34 4.700 -0.950 4.929 1.00 0.00 C ATOM 497 CG GLU A 34 6.064 -1.614 4.729 1.00 0.00 C ATOM 498 CD GLU A 34 6.034 -3.076 5.180 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.688 -3.925 4.331 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.359 -3.311 6.364 1.00 0.00 O ATOM 0 H GLU A 34 4.918 -1.113 2.464 1.00 0.00 H new ATOM 0 HA GLU A 34 3.564 -2.654 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.770 0.111 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.406 -1.024 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.348 -1.560 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.823 -1.071 5.293 1.00 0.00 H new ATOM 507 N CYS A 35 2.104 0.206 3.628 1.00 0.00 N ATOM 508 CA CYS A 35 0.856 0.942 3.735 1.00 0.00 C ATOM 509 C CYS A 35 -0.272 0.055 3.206 1.00 0.00 C ATOM 510 O CYS A 35 -1.306 -0.095 3.856 1.00 0.00 O ATOM 511 CB CYS A 35 0.924 2.280 2.996 1.00 0.00 C ATOM 512 SG CYS A 35 1.765 3.528 4.037 1.00 0.00 S ATOM 0 H CYS A 35 2.813 0.651 3.045 1.00 0.00 H new ATOM 0 HA CYS A 35 0.664 1.187 4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.460 2.158 2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.082 2.619 2.748 1.00 0.00 H new ATOM 0 HG CYS A 35 2.042 3.010 5.197 1.00 0.00 H new ATOM 518 N MET A 36 -0.036 -0.511 2.032 1.00 0.00 N ATOM 519 CA MET A 36 -1.019 -1.380 1.408 1.00 0.00 C ATOM 520 C MET A 36 -1.480 -2.471 2.377 1.00 0.00 C ATOM 521 O MET A 36 -2.667 -2.573 2.684 1.00 0.00 O ATOM 522 CB MET A 36 -0.412 -2.028 0.162 1.00 0.00 C ATOM 523 CG MET A 36 0.041 -0.966 -0.842 1.00 0.00 C ATOM 524 SD MET A 36 -1.313 0.135 -1.218 1.00 0.00 S ATOM 525 CE MET A 36 -0.433 1.684 -1.323 1.00 0.00 C ATOM 0 H MET A 36 0.822 -0.385 1.496 1.00 0.00 H new ATOM 0 HA MET A 36 -1.884 -0.777 1.130 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.437 -2.649 0.448 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.146 -2.685 -0.305 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.878 -0.400 -0.433 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.396 -1.444 -1.755 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.136 2.510 -1.215 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.311 1.734 -0.528 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.064 1.755 -2.290 1.00 0.00 H new ATOM 535 N GLU A 37 -0.517 -3.258 2.833 1.00 0.00 N ATOM 536 CA GLU A 37 -0.810 -4.337 3.761 1.00 0.00 C ATOM 537 C GLU A 37 -1.900 -3.910 4.746 1.00 0.00 C ATOM 538 O GLU A 37 -2.973 -4.510 4.789 1.00 0.00 O ATOM 539 CB GLU A 37 0.454 -4.782 4.501 1.00 0.00 C ATOM 540 CG GLU A 37 0.725 -6.271 4.277 1.00 0.00 C ATOM 541 CD GLU A 37 -0.565 -7.086 4.383 1.00 0.00 C ATOM 542 OE1 GLU A 37 -0.938 -7.411 5.530 1.00 0.00 O ATOM 543 OE2 GLU A 37 -1.150 -7.365 3.313 1.00 0.00 O ATOM 0 H GLU A 37 0.467 -3.170 2.577 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.178 -5.190 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.307 -4.198 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.344 -4.585 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.173 -6.419 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.446 -6.628 5.013 1.00 0.00 H new ATOM 550 N GLY A 38 -1.587 -2.876 5.513 1.00 0.00 N ATOM 551 CA GLY A 38 -2.527 -2.361 6.495 1.00 0.00 C ATOM 552 C GLY A 38 -3.960 -2.415 5.963 1.00 0.00 C ATOM 553 O GLY A 38 -4.852 -2.947 6.623 1.00 0.00 O ATOM 0 H GLY A 38 -0.696 -2.381 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.454 -2.943 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.268 -1.333 6.748 1.00 0.00 H new ATOM 557 N VAL A 39 -4.137 -1.857 4.774 1.00 0.00 N ATOM 558 CA VAL A 39 -5.447 -1.835 4.145 1.00 0.00 C ATOM 559 C VAL A 39 -6.058 -3.237 4.200 1.00 0.00 C ATOM 560 O VAL A 39 -7.231 -3.394 4.535 1.00 0.00 O ATOM 561 CB VAL A 39 -5.335 -1.287 2.721 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.705 -1.242 2.042 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.674 0.093 2.716 1.00 0.00 C ATOM 0 H VAL A 39 -3.395 -1.417 4.230 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.118 -1.166 4.684 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.701 -1.964 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.597 -0.849 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.122 -2.248 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.373 -0.597 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.606 0.460 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.271 0.784 3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.673 0.019 3.142 1.00 0.00 H new ATOM 573 N CYS A 40 -5.235 -4.220 3.865 1.00 0.00 N ATOM 574 CA CYS A 40 -5.680 -5.603 3.872 1.00 0.00 C ATOM 575 C CYS A 40 -5.788 -6.066 5.326 1.00 0.00 C ATOM 576 O CYS A 40 -6.743 -6.748 5.695 1.00 0.00 O ATOM 577 CB CYS A 40 -4.748 -6.501 3.055 1.00 0.00 C ATOM 578 SG CYS A 40 -4.915 -8.239 3.603 1.00 0.00 S ATOM 0 H CYS A 40 -4.263 -4.086 3.587 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.658 -5.675 3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.989 -6.420 1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.716 -6.171 3.173 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.167 -8.503 3.834 1.00 0.00 H new ATOM 584 N LYS A 41 -4.796 -5.677 6.113 1.00 0.00 N ATOM 585 CA LYS A 41 -4.768 -6.043 7.519 1.00 0.00 C ATOM 586 C LYS A 41 -6.093 -5.647 8.172 1.00 0.00 C ATOM 587 O LYS A 41 -6.594 -6.352 9.046 1.00 0.00 O ATOM 588 CB LYS A 41 -3.540 -5.440 8.205 1.00 0.00 C ATOM 589 CG LYS A 41 -2.255 -5.828 7.470 1.00 0.00 C ATOM 590 CD LYS A 41 -1.537 -6.972 8.189 1.00 0.00 C ATOM 591 CE LYS A 41 -0.032 -6.934 7.913 1.00 0.00 C ATOM 592 NZ LYS A 41 0.479 -8.296 7.641 1.00 0.00 N ATOM 0 H LYS A 41 -4.005 -5.112 5.804 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.669 -7.123 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.632 -4.354 8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.490 -5.784 9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.492 -6.127 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.594 -4.964 7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.716 -6.901 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.947 -7.927 7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.171 -6.286 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.490 -6.507 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.518 -8.290 7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.114 -8.954 8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.164 -8.603 6.698 1.00 0.00 H new ATOM 606 N MET A 42 -6.624 -4.519 7.722 1.00 0.00 N ATOM 607 CA MET A 42 -7.882 -4.020 8.251 1.00 0.00 C ATOM 608 C MET A 42 -8.997 -5.054 8.079 1.00 0.00 C ATOM 609 O MET A 42 -9.506 -5.592 9.060 1.00 0.00 O ATOM 610 CB MET A 42 -8.265 -2.729 7.526 1.00 0.00 C ATOM 611 CG MET A 42 -7.689 -1.506 8.243 1.00 0.00 C ATOM 612 SD MET A 42 -6.744 -0.516 7.097 1.00 0.00 S ATOM 613 CE MET A 42 -7.982 -0.224 5.845 1.00 0.00 C ATOM 0 H MET A 42 -6.206 -3.937 6.997 1.00 0.00 H new ATOM 0 HA MET A 42 -7.755 -3.824 9.316 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.897 -2.761 6.501 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.351 -2.646 7.473 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.496 -0.911 8.671 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.055 -1.824 9.070 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.681 0.621 5.226 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.086 -1.112 5.222 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.937 -0.002 6.322 1.00 0.00 H new ATOM 623 N TYR A 43 -9.344 -5.299 6.824 1.00 0.00 N ATOM 624 CA TYR A 43 -10.390 -6.257 6.510 1.00 0.00 C ATOM 625 C TYR A 43 -10.250 -7.520 7.363 1.00 0.00 C ATOM 626 O TYR A 43 -11.208 -7.949 8.004 1.00 0.00 O ATOM 627 CB TYR A 43 -10.195 -6.627 5.038 1.00 0.00 C ATOM 628 CG TYR A 43 -11.381 -7.371 4.421 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.626 -6.777 4.386 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.206 -8.637 3.900 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.742 -7.477 3.805 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.322 -9.338 3.319 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.535 -8.723 3.300 1.00 0.00 C ATOM 634 OH TYR A 43 -14.589 -9.385 2.752 1.00 0.00 O ATOM 0 H TYR A 43 -8.919 -4.850 6.012 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.373 -5.830 6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.013 -5.717 4.466 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.303 -7.246 4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.763 -5.787 4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.232 -9.102 3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.721 -7.023 3.771 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.199 -10.329 2.908 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.425 -9.526 1.796 1.00 0.00 H new ATOM 644 N GLU A 44 -9.049 -8.079 7.343 1.00 0.00 N ATOM 645 CA GLU A 44 -8.772 -9.283 8.107 1.00 0.00 C ATOM 646 C GLU A 44 -9.507 -9.242 9.449 1.00 0.00 C ATOM 647 O GLU A 44 -10.192 -10.196 9.815 1.00 0.00 O ATOM 648 CB GLU A 44 -7.267 -9.469 8.312 1.00 0.00 C ATOM 649 CG GLU A 44 -6.600 -9.984 7.035 1.00 0.00 C ATOM 650 CD GLU A 44 -5.670 -11.161 7.339 1.00 0.00 C ATOM 651 OE1 GLU A 44 -5.354 -11.340 8.535 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.297 -11.855 6.369 1.00 0.00 O ATOM 0 H GLU A 44 -8.257 -7.720 6.810 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.137 -10.140 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.816 -8.521 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.091 -10.171 9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.363 -10.294 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.033 -9.179 6.566 1.00 0.00 H new ATOM 659 N GLU A 45 -9.339 -8.127 10.145 1.00 0.00 N ATOM 660 CA GLU A 45 -9.978 -7.949 11.438 1.00 0.00 C ATOM 661 C GLU A 45 -11.462 -8.309 11.351 1.00 0.00 C ATOM 662 O GLU A 45 -11.910 -9.266 11.980 1.00 0.00 O ATOM 663 CB GLU A 45 -9.790 -6.519 11.950 1.00 0.00 C ATOM 664 CG GLU A 45 -8.305 -6.166 12.056 1.00 0.00 C ATOM 665 CD GLU A 45 -7.785 -6.405 13.475 1.00 0.00 C ATOM 666 OE1 GLU A 45 -8.440 -5.900 14.412 1.00 0.00 O ATOM 667 OE2 GLU A 45 -6.745 -7.088 13.590 1.00 0.00 O ATOM 0 H GLU A 45 -8.770 -7.338 9.838 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.502 -8.621 12.152 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.287 -5.820 11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.263 -6.413 12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.733 -6.767 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.155 -5.122 11.781 1.00 0.00 H new ATOM 674 N HIS A 46 -12.184 -7.523 10.565 1.00 0.00 N ATOM 675 CA HIS A 46 -13.609 -7.748 10.388 1.00 0.00 C ATOM 676 C HIS A 46 -13.860 -9.221 10.062 1.00 0.00 C ATOM 677 O HIS A 46 -14.954 -9.734 10.289 1.00 0.00 O ATOM 678 CB HIS A 46 -14.181 -6.801 9.331 1.00 0.00 C ATOM 679 CG HIS A 46 -15.386 -7.348 8.604 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.670 -7.264 9.112 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.488 -7.985 7.402 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.500 -7.830 8.248 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.765 -8.276 7.189 1.00 0.00 N ATOM 0 H HIS A 46 -11.809 -6.730 10.044 1.00 0.00 H new ATOM 0 HA HIS A 46 -14.134 -7.523 11.316 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.454 -5.861 9.810 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.403 -6.573 8.603 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.669 -8.214 6.737 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.570 -7.922 8.362 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.136 -8.755 6.368 1.00 0.00 H new ATOM 691 N LEU A 47 -12.827 -9.861 9.533 1.00 0.00 N ATOM 692 CA LEU A 47 -12.921 -11.266 9.173 1.00 0.00 C ATOM 693 C LEU A 47 -12.673 -12.124 10.415 1.00 0.00 C ATOM 694 O LEU A 47 -13.434 -13.049 10.697 1.00 0.00 O ATOM 695 CB LEU A 47 -11.982 -11.584 8.008 1.00 0.00 C ATOM 696 CG LEU A 47 -12.636 -11.692 6.629 1.00 0.00 C ATOM 697 CD1 LEU A 47 -13.439 -10.431 6.303 1.00 0.00 C ATOM 698 CD2 LEU A 47 -11.596 -12.003 5.551 1.00 0.00 C ATOM 0 H LEU A 47 -11.921 -9.432 9.345 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.924 -11.502 8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.215 -10.811 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.475 -12.525 8.222 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.338 -12.526 6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.893 -10.534 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.220 -10.294 7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.776 -9.566 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.088 -12.074 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.852 -11.207 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.106 -12.950 5.780 1.00 0.00 H new ATOM 710 N LYS A 48 -11.607 -11.787 11.125 1.00 0.00 N ATOM 711 CA LYS A 48 -11.249 -12.515 12.330 1.00 0.00 C ATOM 712 C LYS A 48 -12.523 -12.889 13.092 1.00 0.00 C ATOM 713 O LYS A 48 -12.799 -14.068 13.305 1.00 0.00 O ATOM 714 CB LYS A 48 -10.248 -11.713 13.164 1.00 0.00 C ATOM 715 CG LYS A 48 -9.138 -12.617 13.705 1.00 0.00 C ATOM 716 CD LYS A 48 -7.757 -12.038 13.389 1.00 0.00 C ATOM 717 CE LYS A 48 -7.222 -12.590 12.065 1.00 0.00 C ATOM 718 NZ LYS A 48 -5.780 -12.900 12.178 1.00 0.00 N ATOM 0 H LYS A 48 -10.979 -11.019 10.889 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.743 -13.446 12.076 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.813 -10.921 12.554 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.765 -11.229 13.993 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.250 -12.732 14.783 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.228 -13.611 13.268 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.818 -10.951 13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.064 -12.280 14.195 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.773 -13.489 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.382 -11.862 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.433 -13.273 11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.257 -12.034 12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.635 -13.611 12.923 1.00 0.00 H new ATOM 732 N ARG A 49 -13.265 -11.862 13.480 1.00 0.00 N ATOM 733 CA ARG A 49 -14.503 -12.068 14.213 1.00 0.00 C ATOM 734 C ARG A 49 -15.396 -13.068 13.476 1.00 0.00 C ATOM 735 O ARG A 49 -16.026 -13.920 14.100 1.00 0.00 O ATOM 736 CB ARG A 49 -15.262 -10.752 14.392 1.00 0.00 C ATOM 737 CG ARG A 49 -15.255 -9.934 13.099 1.00 0.00 C ATOM 738 CD ARG A 49 -16.676 -9.730 12.571 1.00 0.00 C ATOM 739 NE ARG A 49 -17.077 -8.315 12.731 1.00 0.00 N ATOM 740 CZ ARG A 49 -18.344 -7.881 12.667 1.00 0.00 C ATOM 741 NH1 ARG A 49 -19.339 -8.751 12.447 1.00 0.00 N ATOM 742 NH2 ARG A 49 -18.614 -6.578 12.825 1.00 0.00 N ATOM 0 H ARG A 49 -13.033 -10.885 13.301 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.245 -12.462 15.196 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.290 -10.959 14.690 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.808 -10.172 15.196 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.788 -8.966 13.280 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.653 -10.443 12.346 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.727 -10.014 11.520 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.369 -10.376 13.110 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.344 -7.627 12.901 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.132 -9.743 12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.303 -8.422 12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.856 -5.917 12.994 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.578 -6.247 12.776 1.00 0.00 H new ATOM 756 N MET A 50 -15.422 -12.931 12.158 1.00 0.00 N ATOM 757 CA MET A 50 -16.227 -13.812 11.330 1.00 0.00 C ATOM 758 C MET A 50 -15.639 -15.224 11.297 1.00 0.00 C ATOM 759 O MET A 50 -16.373 -16.208 11.365 1.00 0.00 O ATOM 760 CB MET A 50 -16.295 -13.254 9.907 1.00 0.00 C ATOM 761 CG MET A 50 -17.137 -11.977 9.858 1.00 0.00 C ATOM 762 SD MET A 50 -18.515 -12.197 8.745 1.00 0.00 S ATOM 763 CE MET A 50 -17.649 -12.751 7.286 1.00 0.00 C ATOM 0 H MET A 50 -14.898 -12.223 11.644 1.00 0.00 H new ATOM 0 HA MET A 50 -17.228 -13.866 11.757 1.00 0.00 H new ATOM 0 HB2 MET A 50 -15.288 -13.044 9.547 1.00 0.00 H new ATOM 0 HB3 MET A 50 -16.723 -14.002 9.239 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.500 -11.733 10.856 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.523 -11.139 9.528 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.159 -12.379 6.397 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.627 -12.372 7.304 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.631 -13.841 7.265 1.00 0.00 H new ATOM 773 N ASN A 51 -14.319 -15.278 11.193 1.00 0.00 N ATOM 774 CA ASN A 51 -13.623 -16.553 11.151 1.00 0.00 C ATOM 775 C ASN A 51 -12.688 -16.659 12.357 1.00 0.00 C ATOM 776 O ASN A 51 -11.597 -16.093 12.353 1.00 0.00 O ATOM 777 CB ASN A 51 -12.775 -16.675 9.883 1.00 0.00 C ATOM 778 CG ASN A 51 -13.591 -16.315 8.640 1.00 0.00 C ATOM 779 OD1 ASN A 51 -13.968 -17.161 7.846 1.00 0.00 O ATOM 780 ND2 ASN A 51 -13.842 -15.014 8.517 1.00 0.00 N ATOM 0 H ASN A 51 -13.713 -14.459 11.137 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.371 -17.346 11.163 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.909 -16.018 9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.396 -17.693 9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.380 -14.671 7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.496 -14.359 9.219 1.00 0.00 H new ATOM 787 N PRO A 52 -13.163 -17.409 13.388 1.00 0.00 N ATOM 788 CA PRO A 52 -12.382 -17.597 14.599 1.00 0.00 C ATOM 789 C PRO A 52 -11.236 -18.583 14.364 1.00 0.00 C ATOM 790 O PRO A 52 -10.087 -18.295 14.695 1.00 0.00 O ATOM 791 CB PRO A 52 -13.379 -18.081 15.639 1.00 0.00 C ATOM 792 CG PRO A 52 -14.581 -18.589 14.859 1.00 0.00 C ATOM 793 CD PRO A 52 -14.452 -18.094 13.428 1.00 0.00 C ATOM 0 HA PRO A 52 -11.894 -16.681 14.932 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.949 -18.872 16.253 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.664 -17.273 16.313 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.620 -19.678 14.884 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -15.507 -18.227 15.306 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -14.483 -18.921 12.719 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.267 -17.419 13.167 1.00 0.00 H new ATOM 801 N ASN A 53 -11.589 -19.726 13.795 1.00 0.00 N ATOM 802 CA ASN A 53 -10.604 -20.756 13.512 1.00 0.00 C ATOM 803 C ASN A 53 -9.526 -20.186 12.589 1.00 0.00 C ATOM 804 O ASN A 53 -8.354 -20.540 12.705 1.00 0.00 O ATOM 805 CB ASN A 53 -11.246 -21.953 12.806 1.00 0.00 C ATOM 806 CG ASN A 53 -12.413 -22.510 13.623 1.00 0.00 C ATOM 807 OD1 ASN A 53 -12.244 -23.308 14.531 1.00 0.00 O ATOM 808 ND2 ASN A 53 -13.603 -22.048 13.252 1.00 0.00 N ATOM 0 H ASN A 53 -12.543 -19.962 13.522 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.176 -21.083 14.460 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.599 -21.652 11.820 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.500 -22.733 12.653 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.445 -22.360 13.736 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.674 -21.381 12.483 1.00 0.00 H new ATOM 815 N SER A 54 -9.961 -19.311 11.693 1.00 0.00 N ATOM 816 CA SER A 54 -9.047 -18.688 10.751 1.00 0.00 C ATOM 817 C SER A 54 -7.761 -18.270 11.467 1.00 0.00 C ATOM 818 O SER A 54 -7.733 -17.252 12.157 1.00 0.00 O ATOM 819 CB SER A 54 -9.694 -17.479 10.074 1.00 0.00 C ATOM 820 OG SER A 54 -10.400 -17.844 8.891 1.00 0.00 O ATOM 0 H SER A 54 -10.934 -19.019 11.600 1.00 0.00 H new ATOM 0 HA SER A 54 -8.804 -19.417 9.978 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.379 -16.997 10.771 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.925 -16.748 9.826 1.00 0.00 H new ATOM 0 HG SER A 54 -10.524 -17.053 8.327 1.00 0.00 H new ATOM 826 N PRO A 55 -6.700 -19.099 11.275 1.00 0.00 N ATOM 827 CA PRO A 55 -5.415 -18.825 11.894 1.00 0.00 C ATOM 828 C PRO A 55 -4.694 -17.680 11.180 1.00 0.00 C ATOM 829 O PRO A 55 -4.177 -16.769 11.825 1.00 0.00 O ATOM 830 CB PRO A 55 -4.656 -20.141 11.823 1.00 0.00 C ATOM 831 CG PRO A 55 -5.357 -20.969 10.759 1.00 0.00 C ATOM 832 CD PRO A 55 -6.696 -20.314 10.465 1.00 0.00 C ATOM 0 HA PRO A 55 -5.509 -18.489 12.927 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.610 -19.975 11.563 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.668 -20.651 12.786 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.751 -21.021 9.855 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.501 -21.993 11.105 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.800 -20.083 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.525 -20.970 10.731 1.00 0.00 H new ATOM 840 N SER A 56 -4.683 -17.764 9.858 1.00 0.00 N ATOM 841 CA SER A 56 -4.034 -16.746 9.049 1.00 0.00 C ATOM 842 C SER A 56 -5.059 -16.076 8.131 1.00 0.00 C ATOM 843 O SER A 56 -4.717 -15.173 7.368 1.00 0.00 O ATOM 844 CB SER A 56 -2.893 -17.344 8.223 1.00 0.00 C ATOM 845 OG SER A 56 -2.271 -16.370 7.389 1.00 0.00 O ATOM 0 H SER A 56 -5.113 -18.521 9.327 1.00 0.00 H new ATOM 0 HA SER A 56 -3.609 -15.997 9.717 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.149 -17.777 8.892 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.278 -18.156 7.607 1.00 0.00 H new ATOM 0 HG SER A 56 -2.874 -15.606 7.273 1.00 0.00 H new ATOM 851 N ILE A 57 -6.294 -16.542 8.236 1.00 0.00 N ATOM 852 CA ILE A 57 -7.370 -15.999 7.425 1.00 0.00 C ATOM 853 C ILE A 57 -7.134 -16.367 5.959 1.00 0.00 C ATOM 854 O ILE A 57 -6.052 -16.826 5.597 1.00 0.00 O ATOM 855 CB ILE A 57 -7.516 -14.495 7.666 1.00 0.00 C ATOM 856 CG1 ILE A 57 -7.780 -14.200 9.144 1.00 0.00 C ATOM 857 CG2 ILE A 57 -8.594 -13.897 6.760 1.00 0.00 C ATOM 858 CD1 ILE A 57 -9.120 -13.484 9.329 1.00 0.00 C ATOM 0 H ILE A 57 -6.574 -17.290 8.871 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.324 -16.439 7.714 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.573 -14.014 7.405 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.780 -15.131 9.710 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.976 -13.583 9.545 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.678 -12.827 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.323 -14.059 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.550 -14.378 6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.284 -13.286 10.388 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.108 -12.542 8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.925 -14.114 8.949 1.00 0.00 H new ATOM 870 N THR A 58 -8.165 -16.151 5.154 1.00 0.00 N ATOM 871 CA THR A 58 -8.083 -16.454 3.736 1.00 0.00 C ATOM 872 C THR A 58 -9.367 -16.024 3.024 1.00 0.00 C ATOM 873 O THR A 58 -10.466 -16.256 3.524 1.00 0.00 O ATOM 874 CB THR A 58 -7.776 -17.945 3.588 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.981 -18.021 2.408 1.00 0.00 O ATOM 876 CG2 THR A 58 -9.021 -18.769 3.251 1.00 0.00 C ATOM 0 H THR A 58 -9.061 -15.770 5.458 1.00 0.00 H new ATOM 0 HA THR A 58 -7.280 -15.893 3.257 1.00 0.00 H new ATOM 0 HB THR A 58 -7.333 -18.317 4.512 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.736 -18.955 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.747 -19.820 3.157 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.758 -18.656 4.046 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.445 -18.419 2.310 1.00 0.00 H new ATOM 884 N TYR A 59 -9.185 -15.405 1.866 1.00 0.00 N ATOM 885 CA TYR A 59 -10.315 -14.940 1.080 1.00 0.00 C ATOM 886 C TYR A 59 -9.867 -14.484 -0.309 1.00 0.00 C ATOM 887 O TYR A 59 -8.715 -14.688 -0.692 1.00 0.00 O ATOM 888 CB TYR A 59 -10.891 -13.741 1.837 1.00 0.00 C ATOM 889 CG TYR A 59 -9.830 -12.797 2.406 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.185 -11.903 1.576 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.517 -12.841 3.749 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.186 -11.015 2.112 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.518 -11.952 4.285 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.902 -11.083 3.440 1.00 0.00 C ATOM 895 OH TYR A 59 -6.959 -10.244 3.946 1.00 0.00 O ATOM 0 H TYR A 59 -8.272 -15.215 1.454 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.044 -15.739 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.541 -13.179 1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.514 -14.105 2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.429 -11.869 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.021 -13.542 4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.674 -10.311 1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.264 -11.975 5.334 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.270 -10.080 3.269 1.00 0.00 H new ATOM 905 N ASP A 60 -10.799 -13.876 -1.027 1.00 0.00 N ATOM 906 CA ASP A 60 -10.514 -13.389 -2.367 1.00 0.00 C ATOM 907 C ASP A 60 -10.031 -11.940 -2.286 1.00 0.00 C ATOM 908 O ASP A 60 -10.528 -11.161 -1.474 1.00 0.00 O ATOM 909 CB ASP A 60 -11.768 -13.422 -3.243 1.00 0.00 C ATOM 910 CG ASP A 60 -11.817 -14.565 -4.259 1.00 0.00 C ATOM 911 OD1 ASP A 60 -10.952 -14.559 -5.162 1.00 0.00 O ATOM 912 OD2 ASP A 60 -12.718 -15.418 -4.110 1.00 0.00 O ATOM 0 H ASP A 60 -11.753 -13.709 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.751 -14.033 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.643 -13.493 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.844 -12.476 -3.779 1.00 0.00 H new ATOM 917 N ILE A 61 -9.068 -11.622 -3.138 1.00 0.00 N ATOM 918 CA ILE A 61 -8.512 -10.280 -3.173 1.00 0.00 C ATOM 919 C ILE A 61 -9.639 -9.273 -3.409 1.00 0.00 C ATOM 920 O ILE A 61 -9.656 -8.202 -2.803 1.00 0.00 O ATOM 921 CB ILE A 61 -7.384 -10.194 -4.203 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.034 -9.970 -3.521 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.681 -9.121 -5.253 1.00 0.00 C ATOM 924 CD1 ILE A 61 -4.981 -9.500 -4.527 1.00 0.00 C ATOM 0 H ILE A 61 -8.658 -12.271 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.056 -10.031 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.326 -11.149 -4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.141 -9.229 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.703 -10.895 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.864 -9.080 -5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.609 -9.365 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.782 -8.152 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.031 -9.348 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.858 -10.254 -5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.303 -8.562 -4.979 1.00 0.00 H new ATOM 936 N SER A 62 -10.553 -9.650 -4.291 1.00 0.00 N ATOM 937 CA SER A 62 -11.680 -8.793 -4.614 1.00 0.00 C ATOM 938 C SER A 62 -12.662 -8.755 -3.442 1.00 0.00 C ATOM 939 O SER A 62 -13.378 -7.772 -3.258 1.00 0.00 O ATOM 940 CB SER A 62 -12.388 -9.270 -5.884 1.00 0.00 C ATOM 941 OG SER A 62 -12.681 -8.191 -6.769 1.00 0.00 O ATOM 0 H SER A 62 -10.536 -10.538 -4.792 1.00 0.00 H new ATOM 0 HA SER A 62 -11.303 -7.787 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.761 -9.999 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.313 -9.779 -5.614 1.00 0.00 H new ATOM 0 HG SER A 62 -13.131 -8.536 -7.568 1.00 0.00 H new ATOM 947 N GLN A 63 -12.665 -9.839 -2.679 1.00 0.00 N ATOM 948 CA GLN A 63 -13.547 -9.942 -1.529 1.00 0.00 C ATOM 949 C GLN A 63 -13.055 -9.036 -0.399 1.00 0.00 C ATOM 950 O GLN A 63 -13.816 -8.696 0.506 1.00 0.00 O ATOM 951 CB GLN A 63 -13.666 -11.392 -1.057 1.00 0.00 C ATOM 952 CG GLN A 63 -14.679 -12.164 -1.905 1.00 0.00 C ATOM 953 CD GLN A 63 -16.111 -11.856 -1.464 1.00 0.00 C ATOM 954 OE1 GLN A 63 -16.726 -10.893 -1.891 1.00 0.00 O ATOM 955 NE2 GLN A 63 -16.606 -12.725 -0.587 1.00 0.00 N ATOM 0 H GLN A 63 -12.071 -10.653 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.541 -9.609 -1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.692 -11.878 -1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.971 -11.414 -0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.554 -11.902 -2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.490 -13.234 -1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.037 -13.510 -0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.554 -12.606 -0.231 1.00 0.00 H new ATOM 964 N LEU A 64 -11.784 -8.671 -0.487 1.00 0.00 N ATOM 965 CA LEU A 64 -11.180 -7.812 0.517 1.00 0.00 C ATOM 966 C LEU A 64 -11.487 -6.351 0.183 1.00 0.00 C ATOM 967 O LEU A 64 -11.842 -5.570 1.064 1.00 0.00 O ATOM 968 CB LEU A 64 -9.686 -8.111 0.651 1.00 0.00 C ATOM 969 CG LEU A 64 -8.769 -6.896 0.801 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.255 -5.978 1.925 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.315 -7.327 1.001 1.00 0.00 C ATOM 0 H LEU A 64 -11.156 -8.955 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.610 -8.013 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.542 -8.759 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.369 -8.675 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.809 -6.321 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.586 -5.122 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.263 -5.629 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.263 -6.528 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.685 -6.444 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.237 -7.937 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.986 -7.908 0.140 1.00 0.00 H new ATOM 983 N PHE A 65 -11.340 -6.026 -1.093 1.00 0.00 N ATOM 984 CA PHE A 65 -11.597 -4.672 -1.555 1.00 0.00 C ATOM 985 C PHE A 65 -13.077 -4.313 -1.403 1.00 0.00 C ATOM 986 O PHE A 65 -13.457 -3.153 -1.560 1.00 0.00 O ATOM 987 CB PHE A 65 -11.224 -4.627 -3.038 1.00 0.00 C ATOM 988 CG PHE A 65 -9.727 -4.794 -3.308 1.00 0.00 C ATOM 989 CD1 PHE A 65 -8.849 -4.831 -2.270 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.275 -4.907 -4.585 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.460 -4.986 -2.520 1.00 0.00 C ATOM 992 CE2 PHE A 65 -7.886 -5.062 -4.836 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.007 -5.099 -3.798 1.00 0.00 C ATOM 0 H PHE A 65 -11.046 -6.677 -1.821 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.016 -3.962 -0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.767 -5.413 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.555 -3.676 -3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.208 -4.742 -1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.973 -4.879 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.763 -5.014 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.527 -5.151 -5.851 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.951 -5.218 -3.988 1.00 0.00 H new ATOM 1003 N ASP A 66 -13.871 -5.329 -1.099 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.301 -5.134 -0.924 1.00 0.00 C ATOM 1005 C ASP A 66 -15.540 -4.132 0.207 1.00 0.00 C ATOM 1006 O ASP A 66 -16.570 -3.461 0.238 1.00 0.00 O ATOM 1007 CB ASP A 66 -15.993 -6.446 -0.548 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.512 -6.452 -0.733 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.197 -5.950 0.184 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -17.953 -6.958 -1.787 1.00 0.00 O ATOM 0 H ASP A 66 -13.552 -6.289 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.710 -4.767 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.566 -7.250 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.768 -6.672 0.494 1.00 0.00 H new ATOM 1015 N PHE A 67 -14.571 -4.063 1.108 1.00 0.00 N ATOM 1016 CA PHE A 67 -14.664 -3.154 2.238 1.00 0.00 C ATOM 1017 C PHE A 67 -13.920 -1.848 1.953 1.00 0.00 C ATOM 1018 O PHE A 67 -14.046 -0.881 2.703 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.005 -3.853 3.429 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.172 -2.923 4.313 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -13.786 -2.118 5.221 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -11.818 -2.902 4.191 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.012 -1.255 6.042 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.044 -2.038 5.011 1.00 0.00 C ATOM 1025 CZ PHE A 67 -11.658 -1.233 5.920 1.00 0.00 C ATOM 0 H PHE A 67 -13.718 -4.621 1.079 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.708 -2.911 2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -14.780 -4.319 4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.366 -4.654 3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.862 -2.135 5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.331 -3.542 3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.499 -0.616 6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.969 -2.020 4.913 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.070 -0.577 6.544 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.161 -1.861 0.867 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.397 -0.689 0.474 1.00 0.00 C ATOM 1037 C ILE A 68 -13.330 0.322 -0.196 1.00 0.00 C ATOM 1038 O ILE A 68 -13.250 1.519 0.074 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.204 -1.094 -0.395 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -9.957 -1.328 0.461 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -10.956 -0.066 -1.500 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -8.917 -2.152 -0.300 1.00 0.00 C ATOM 0 H ILE A 68 -13.059 -2.664 0.247 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.973 -0.200 1.351 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.442 -2.039 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.526 -0.370 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.234 -1.844 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.103 -0.378 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.840 0.008 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.748 0.906 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.041 -2.304 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.344 -3.119 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.624 -1.621 -1.206 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.194 -0.198 -1.056 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.141 0.645 -1.766 1.00 0.00 C ATOM 1056 C ASP A 69 -16.240 1.095 -0.801 1.00 0.00 C ATOM 1057 O ASP A 69 -16.951 2.061 -1.072 1.00 0.00 O ATOM 1058 CB ASP A 69 -15.804 -0.119 -2.914 1.00 0.00 C ATOM 1059 CG ASP A 69 -17.093 0.508 -3.449 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -16.978 1.340 -4.375 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -18.164 0.142 -2.919 1.00 0.00 O ATOM 0 H ASP A 69 -14.258 -1.192 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 69 -14.597 1.500 -2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.091 -0.203 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.023 -1.132 -2.577 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.344 0.373 0.305 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.344 0.686 1.311 1.00 0.00 C ATOM 1068 C ASP A 70 -16.932 1.958 2.055 1.00 0.00 C ATOM 1069 O ASP A 70 -17.770 2.811 2.344 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.465 -0.443 2.337 1.00 0.00 C ATOM 1071 CG ASP A 70 -18.894 -0.919 2.609 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -19.701 -0.865 1.656 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -19.146 -1.325 3.764 1.00 0.00 O ATOM 0 H ASP A 70 -15.752 -0.428 0.526 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.301 0.819 0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.875 -1.292 1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.024 -0.109 3.276 1.00 0.00 H new ATOM 1078 N LEU A 71 -15.642 2.046 2.342 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.109 3.200 3.047 1.00 0.00 C ATOM 1080 C LEU A 71 -15.648 4.479 2.403 1.00 0.00 C ATOM 1081 O LEU A 71 -16.059 4.468 1.243 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.581 3.135 3.101 1.00 0.00 C ATOM 1083 CG LEU A 71 -12.987 1.983 3.914 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.465 1.937 3.768 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.420 2.065 5.379 1.00 0.00 C ATOM 0 H LEU A 71 -14.950 1.337 2.099 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.442 3.201 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.204 3.066 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.212 4.073 3.514 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.377 1.047 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.068 1.109 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.204 1.795 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.037 2.874 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.984 1.235 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.078 3.007 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.507 2.012 5.441 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.629 5.549 3.183 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.111 6.833 2.703 1.00 0.00 C ATOM 1099 C ALA A 72 -15.157 7.363 1.630 1.00 0.00 C ATOM 1100 O ALA A 72 -15.584 8.029 0.688 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.255 7.798 3.882 1.00 0.00 C ATOM 0 H ALA A 72 -15.287 5.554 4.144 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.095 6.726 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.617 8.761 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.965 7.390 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.286 7.931 4.364 1.00 0.00 H new ATOM 1107 N ASP A 73 -13.882 7.046 1.808 1.00 0.00 N ATOM 1108 CA ASP A 73 -12.864 7.482 0.868 1.00 0.00 C ATOM 1109 C ASP A 73 -11.484 7.099 1.404 1.00 0.00 C ATOM 1110 O ASP A 73 -11.015 7.670 2.387 1.00 0.00 O ATOM 1111 CB ASP A 73 -12.897 9.001 0.685 1.00 0.00 C ATOM 1112 CG ASP A 73 -11.654 9.599 0.022 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.249 9.049 -1.025 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.137 10.592 0.577 1.00 0.00 O ATOM 0 H ASP A 73 -13.532 6.492 2.590 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.060 7.000 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.770 9.261 0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.029 9.467 1.661 1.00 0.00 H new ATOM 1119 N LEU A 74 -10.870 6.135 0.733 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.552 5.669 1.130 1.00 0.00 C ATOM 1121 C LEU A 74 -8.509 6.209 0.150 1.00 0.00 C ATOM 1122 O LEU A 74 -8.661 6.071 -1.063 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.540 4.145 1.262 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.185 3.510 1.583 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -8.029 3.282 3.088 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -7.980 2.222 0.783 1.00 0.00 C ATOM 0 H LEU A 74 -11.261 5.664 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.293 6.054 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.246 3.862 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.908 3.716 0.330 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.402 4.205 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.058 2.830 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.100 4.236 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.818 2.617 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.010 1.791 1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.767 1.510 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.017 2.446 -0.283 1.00 0.00 H new ATOM 1138 N SER A 75 -7.473 6.814 0.712 1.00 0.00 N ATOM 1139 CA SER A 75 -6.404 7.375 -0.097 1.00 0.00 C ATOM 1140 C SER A 75 -5.046 7.035 0.520 1.00 0.00 C ATOM 1141 O SER A 75 -4.980 6.397 1.570 1.00 0.00 O ATOM 1142 CB SER A 75 -6.558 8.891 -0.237 1.00 0.00 C ATOM 1143 OG SER A 75 -7.760 9.245 -0.917 1.00 0.00 O ATOM 0 H SER A 75 -7.351 6.928 1.718 1.00 0.00 H new ATOM 0 HA SER A 75 -6.463 6.936 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.553 9.349 0.752 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.703 9.294 -0.779 1.00 0.00 H new ATOM 0 HG SER A 75 -7.636 9.129 -1.882 1.00 0.00 H new ATOM 1149 N CYS A 76 -3.997 7.476 -0.158 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.644 7.226 0.310 1.00 0.00 C ATOM 1151 C CYS A 76 -1.725 8.295 -0.284 1.00 0.00 C ATOM 1152 O CYS A 76 -1.954 8.768 -1.396 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.177 5.812 -0.040 1.00 0.00 C ATOM 1154 SG CYS A 76 -0.916 5.253 1.163 1.00 0.00 S ATOM 0 H CYS A 76 -4.056 8.005 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.615 7.288 1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.026 5.128 -0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.762 5.796 -1.048 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.731 6.177 2.059 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.703 8.644 0.484 1.00 0.00 N ATOM 1161 CA LEU A 77 0.252 9.649 0.048 1.00 0.00 C ATOM 1162 C LEU A 77 1.635 9.008 -0.082 1.00 0.00 C ATOM 1163 O LEU A 77 2.090 8.316 0.827 1.00 0.00 O ATOM 1164 CB LEU A 77 0.220 10.860 0.982 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.109 11.614 1.058 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.725 11.780 -0.332 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.071 10.934 2.034 1.00 0.00 C ATOM 0 H LEU A 77 -0.515 8.249 1.405 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.018 10.029 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.484 10.527 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.994 11.559 0.665 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.912 12.614 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.669 12.319 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.041 12.341 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.905 10.798 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.008 11.490 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.267 9.915 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.625 10.912 3.028 1.00 0.00 H new ATOM 1179 N VAL A 78 2.265 9.262 -1.220 1.00 0.00 N ATOM 1180 CA VAL A 78 3.587 8.719 -1.481 1.00 0.00 C ATOM 1181 C VAL A 78 4.578 9.869 -1.671 1.00 0.00 C ATOM 1182 O VAL A 78 4.381 10.727 -2.531 1.00 0.00 O ATOM 1183 CB VAL A 78 3.536 7.770 -2.679 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.941 7.317 -3.081 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.635 6.568 -2.388 1.00 0.00 C ATOM 0 H VAL A 78 1.884 9.837 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 78 3.932 8.130 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 78 3.107 8.315 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.876 6.643 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.541 8.187 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.409 6.798 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.616 5.909 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.022 6.023 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.624 6.915 -2.174 1.00 0.00 H new ATOM 1195 N TYR A 79 5.621 9.851 -0.855 1.00 0.00 N ATOM 1196 CA TYR A 79 6.643 10.882 -0.923 1.00 0.00 C ATOM 1197 C TYR A 79 7.684 10.552 -1.995 1.00 0.00 C ATOM 1198 O TYR A 79 8.437 9.590 -1.859 1.00 0.00 O ATOM 1199 CB TYR A 79 7.324 10.891 0.447 1.00 0.00 C ATOM 1200 CG TYR A 79 8.095 12.177 0.750 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.080 12.611 -0.114 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.806 12.904 1.887 1.00 0.00 C ATOM 1203 CE1 TYR A 79 9.806 13.822 0.171 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.531 14.115 2.172 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.496 14.514 1.300 1.00 0.00 C ATOM 1206 OH TYR A 79 10.181 15.657 1.569 1.00 0.00 O ATOM 0 H TYR A 79 5.781 9.139 -0.143 1.00 0.00 H new ATOM 0 HA TYR A 79 6.201 11.845 -1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.568 10.743 1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.010 10.046 0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.306 12.043 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.036 12.564 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.579 14.173 -0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.314 14.693 3.058 1.00 0.00 H new ATOM 0 HH TYR A 79 9.853 16.046 2.407 1.00 0.00 H new ATOM 1216 N ARG A 80 7.692 11.371 -3.037 1.00 0.00 N ATOM 1217 CA ARG A 80 8.628 11.178 -4.132 1.00 0.00 C ATOM 1218 C ARG A 80 9.627 12.336 -4.185 1.00 0.00 C ATOM 1219 O ARG A 80 9.245 13.480 -4.424 1.00 0.00 O ATOM 1220 CB ARG A 80 7.896 11.083 -5.472 1.00 0.00 C ATOM 1221 CG ARG A 80 7.222 12.410 -5.824 1.00 0.00 C ATOM 1222 CD ARG A 80 6.144 12.212 -6.891 1.00 0.00 C ATOM 1223 NE ARG A 80 5.088 11.308 -6.382 1.00 0.00 N ATOM 1224 CZ ARG A 80 5.084 9.981 -6.562 1.00 0.00 C ATOM 1225 NH1 ARG A 80 6.080 9.393 -7.239 1.00 0.00 N ATOM 1226 NH2 ARG A 80 4.084 9.240 -6.064 1.00 0.00 N ATOM 0 H ARG A 80 7.066 12.169 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 80 9.159 10.243 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.601 10.810 -6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.148 10.292 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.777 12.845 -4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.969 13.117 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.710 13.174 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.588 11.794 -7.795 1.00 0.00 H new ATOM 0 HE ARG A 80 4.315 11.722 -5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.842 9.956 -7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.077 8.382 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.326 9.687 -5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.081 8.229 -6.201 1.00 0.00 H new ATOM 1240 N ALA A 81 10.888 11.998 -3.959 1.00 0.00 N ATOM 1241 CA ALA A 81 11.945 12.995 -3.979 1.00 0.00 C ATOM 1242 C ALA A 81 12.138 13.499 -5.411 1.00 0.00 C ATOM 1243 O ALA A 81 12.696 14.575 -5.624 1.00 0.00 O ATOM 1244 CB ALA A 81 13.225 12.394 -3.395 1.00 0.00 C ATOM 0 H ALA A 81 11.202 11.048 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 81 11.676 13.852 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.018 13.142 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.043 12.079 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.527 11.533 -3.991 1.00 0.00 H new ATOM 1250 N ASP A 82 11.667 12.698 -6.355 1.00 0.00 N ATOM 1251 CA ASP A 82 11.781 13.049 -7.760 1.00 0.00 C ATOM 1252 C ASP A 82 11.241 14.465 -7.973 1.00 0.00 C ATOM 1253 O ASP A 82 11.884 15.286 -8.626 1.00 0.00 O ATOM 1254 CB ASP A 82 10.964 12.095 -8.634 1.00 0.00 C ATOM 1255 CG ASP A 82 11.790 11.198 -9.558 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.992 11.500 -9.717 1.00 0.00 O ATOM 1257 OD2 ASP A 82 11.200 10.229 -10.084 1.00 0.00 O ATOM 0 H ASP A 82 11.205 11.807 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 82 12.832 12.983 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.357 11.463 -7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.276 12.682 -9.242 1.00 0.00 H new ATOM 1262 N THR A 83 10.067 14.707 -7.410 1.00 0.00 N ATOM 1263 CA THR A 83 9.434 16.009 -7.530 1.00 0.00 C ATOM 1264 C THR A 83 9.247 16.640 -6.149 1.00 0.00 C ATOM 1265 O THR A 83 8.853 17.800 -6.041 1.00 0.00 O ATOM 1266 CB THR A 83 8.122 15.828 -8.297 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.293 15.095 -7.400 1.00 0.00 O ATOM 1268 CG2 THR A 83 8.274 14.902 -9.505 1.00 0.00 C ATOM 0 H THR A 83 9.537 14.023 -6.869 1.00 0.00 H new ATOM 0 HA THR A 83 10.061 16.704 -8.089 1.00 0.00 H new ATOM 0 HB THR A 83 7.758 16.801 -8.628 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.362 15.140 -7.704 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.315 14.807 -10.014 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.010 15.319 -10.193 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.606 13.919 -9.170 1.00 0.00 H new ATOM 1276 N GLN A 84 9.540 15.849 -5.127 1.00 0.00 N ATOM 1277 CA GLN A 84 9.409 16.316 -3.757 1.00 0.00 C ATOM 1278 C GLN A 84 7.965 16.735 -3.475 1.00 0.00 C ATOM 1279 O GLN A 84 7.693 17.908 -3.224 1.00 0.00 O ATOM 1280 CB GLN A 84 10.379 17.466 -3.475 1.00 0.00 C ATOM 1281 CG GLN A 84 11.721 16.938 -2.965 1.00 0.00 C ATOM 1282 CD GLN A 84 11.834 17.105 -1.448 1.00 0.00 C ATOM 1283 OE1 GLN A 84 11.137 17.892 -0.830 1.00 0.00 O ATOM 1284 NE2 GLN A 84 12.749 16.321 -0.885 1.00 0.00 N ATOM 0 H GLN A 84 9.868 14.888 -5.220 1.00 0.00 H new ATOM 0 HA GLN A 84 9.666 15.495 -3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.534 18.047 -4.384 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.945 18.140 -2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.825 15.885 -3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.536 17.471 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.299 15.684 -1.461 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.901 16.357 0.123 1.00 0.00 H new ATOM 1293 N THR A 85 7.077 15.753 -3.525 1.00 0.00 N ATOM 1294 CA THR A 85 5.667 16.005 -3.278 1.00 0.00 C ATOM 1295 C THR A 85 4.929 14.692 -3.013 1.00 0.00 C ATOM 1296 O THR A 85 5.420 13.619 -3.360 1.00 0.00 O ATOM 1297 CB THR A 85 5.110 16.786 -4.470 1.00 0.00 C ATOM 1298 OG1 THR A 85 3.907 17.366 -3.973 1.00 0.00 O ATOM 1299 CG2 THR A 85 4.643 15.871 -5.603 1.00 0.00 C ATOM 0 H THR A 85 7.306 14.781 -3.733 1.00 0.00 H new ATOM 0 HA THR A 85 5.524 16.608 -2.381 1.00 0.00 H new ATOM 0 HB THR A 85 5.873 17.468 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.481 17.892 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.257 16.476 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.483 15.273 -5.957 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.856 15.211 -5.237 1.00 0.00 H new ATOM 1307 N TYR A 86 3.761 14.820 -2.401 1.00 0.00 N ATOM 1308 CA TYR A 86 2.950 13.656 -2.086 1.00 0.00 C ATOM 1309 C TYR A 86 1.755 13.547 -3.036 1.00 0.00 C ATOM 1310 O TYR A 86 0.862 14.393 -3.015 1.00 0.00 O ATOM 1311 CB TYR A 86 2.436 13.873 -0.662 1.00 0.00 C ATOM 1312 CG TYR A 86 1.425 15.014 -0.532 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.866 16.316 -0.412 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.072 14.741 -0.534 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.914 17.390 -0.290 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.879 15.815 -0.412 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.411 17.086 -0.296 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.310 18.101 -0.181 1.00 0.00 O ATOM 0 H TYR A 86 3.357 15.712 -2.115 1.00 0.00 H new ATOM 0 HA TYR A 86 3.536 12.742 -2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.975 12.951 -0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.284 14.076 -0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.925 16.530 -0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.273 13.722 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.245 18.414 -0.196 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.940 15.615 -0.413 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.219 17.736 -0.202 1.00 0.00 H new ATOM 1328 N GLN A 87 1.777 12.499 -3.845 1.00 0.00 N ATOM 1329 CA GLN A 87 0.706 12.269 -4.801 1.00 0.00 C ATOM 1330 C GLN A 87 -0.484 11.598 -4.112 1.00 0.00 C ATOM 1331 O GLN A 87 -0.388 10.453 -3.673 1.00 0.00 O ATOM 1332 CB GLN A 87 1.198 11.432 -5.984 1.00 0.00 C ATOM 1333 CG GLN A 87 0.795 12.073 -7.313 1.00 0.00 C ATOM 1334 CD GLN A 87 -0.165 11.168 -8.089 1.00 0.00 C ATOM 1335 OE1 GLN A 87 0.172 10.597 -9.114 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -1.375 11.070 -7.546 1.00 0.00 N ATOM 0 H GLN A 87 2.519 11.799 -3.859 1.00 0.00 H new ATOM 0 HA GLN A 87 0.379 13.233 -5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.282 11.333 -5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.783 10.426 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.322 13.037 -7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.685 12.265 -7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.591 11.575 -6.686 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.087 10.490 -7.989 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.608 12.360 -4.037 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.816 11.852 -3.410 1.00 0.00 C ATOM 1347 C PRO A 88 -3.521 10.840 -4.316 1.00 0.00 C ATOM 1348 O PRO A 88 -4.107 11.212 -5.331 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.660 13.084 -3.126 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.107 14.182 -4.019 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.759 13.720 -4.546 1.00 0.00 C ATOM 0 HA PRO A 88 -2.613 11.304 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.711 12.896 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.598 13.367 -2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.790 14.384 -4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.000 15.111 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.732 13.740 -5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.954 14.366 -4.195 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.440 9.579 -3.916 1.00 0.00 N ATOM 1360 CA TYR A 89 -4.063 8.511 -4.679 1.00 0.00 C ATOM 1361 C TYR A 89 -5.427 8.142 -4.093 1.00 0.00 C ATOM 1362 O TYR A 89 -5.712 8.444 -2.935 1.00 0.00 O ATOM 1363 CB TYR A 89 -3.127 7.306 -4.558 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.745 7.528 -5.176 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.633 8.074 -6.439 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.610 7.181 -4.471 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.332 8.282 -7.020 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.691 7.389 -5.053 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.765 7.929 -6.299 1.00 0.00 C ATOM 1370 OH TYR A 89 1.994 8.126 -6.848 1.00 0.00 O ATOM 0 H TYR A 89 -2.953 9.273 -3.074 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.219 8.818 -5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -3.007 7.057 -3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.594 6.446 -5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.521 8.345 -6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.698 6.754 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.230 8.709 -8.007 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.587 7.122 -4.512 1.00 0.00 H new ATOM 0 HH TYR A 89 1.991 8.958 -7.366 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.235 7.494 -4.920 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.562 7.080 -4.498 1.00 0.00 C ATOM 1382 C ASN A 90 -7.512 5.628 -4.021 1.00 0.00 C ATOM 1383 O ASN A 90 -6.492 4.957 -4.169 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.558 7.163 -5.657 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.829 7.903 -5.235 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -10.640 7.410 -4.467 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -9.958 9.110 -5.779 1.00 0.00 N ATOM 0 H ASN A 90 -5.996 7.246 -5.880 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.884 7.745 -3.696 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.097 7.676 -6.501 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.813 6.159 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.773 9.683 -5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.242 9.462 -6.414 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.626 5.185 -3.458 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.722 3.824 -2.957 1.00 0.00 C ATOM 1396 C LYS A 91 -8.563 2.844 -4.122 1.00 0.00 C ATOM 1397 O LYS A 91 -8.129 1.710 -3.928 1.00 0.00 O ATOM 1398 CB LYS A 91 -10.018 3.634 -2.167 1.00 0.00 C ATOM 1399 CG LYS A 91 -11.219 3.499 -3.106 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.534 3.623 -2.335 1.00 0.00 C ATOM 1401 CE LYS A 91 -12.747 5.055 -1.840 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.816 5.719 -2.620 1.00 0.00 N ATOM 0 H LYS A 91 -9.470 5.744 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.914 3.619 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.939 2.745 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.168 4.482 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.171 4.269 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.181 2.536 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.365 3.329 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.528 2.938 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.013 5.045 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.819 5.619 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.948 6.690 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.548 5.745 -3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.704 5.189 -2.513 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.922 3.319 -5.306 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.824 2.499 -6.501 1.00 0.00 C ATOM 1418 C ASP A 92 -7.355 2.368 -6.906 1.00 0.00 C ATOM 1419 O ASP A 92 -7.003 1.505 -7.709 1.00 0.00 O ATOM 1420 CB ASP A 92 -9.581 3.136 -7.669 1.00 0.00 C ATOM 1421 CG ASP A 92 -10.929 2.489 -7.995 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -11.916 2.866 -7.328 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -10.941 1.632 -8.905 1.00 0.00 O ATOM 0 H ASP A 92 -9.281 4.261 -5.463 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.258 1.524 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.746 4.190 -7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.951 3.094 -8.557 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.536 3.237 -6.331 1.00 0.00 N ATOM 1429 CA TRP A 93 -5.112 3.229 -6.622 1.00 0.00 C ATOM 1430 C TRP A 93 -4.418 2.370 -5.563 1.00 0.00 C ATOM 1431 O TRP A 93 -3.314 1.877 -5.786 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.559 4.654 -6.692 1.00 0.00 C ATOM 1433 CG TRP A 93 -3.031 4.728 -6.713 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -2.227 4.893 -7.772 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -2.150 4.633 -5.573 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.898 4.911 -7.401 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.850 4.747 -6.021 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -2.443 4.455 -4.210 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.261 4.698 -5.171 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -1.322 4.407 -3.373 1.00 0.00 C ATOM 1441 CH2 TRP A 93 -0.006 4.521 -3.808 1.00 0.00 C ATOM 0 H TRP A 93 -6.831 3.951 -5.665 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.921 2.794 -7.603 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.948 5.140 -7.586 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.928 5.219 -5.836 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.575 4.999 -8.789 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.098 5.024 -8.024 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.453 4.363 -3.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.269 4.792 -5.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.491 4.272 -2.315 1.00 0.00 H new ATOM 0 HH2 TRP A 93 0.806 4.473 -3.098 1.00 0.00 H new ATOM 1452 N ILE A 94 -5.095 2.218 -4.434 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.557 1.427 -3.341 1.00 0.00 C ATOM 1454 C ILE A 94 -4.872 -0.051 -3.583 1.00 0.00 C ATOM 1455 O ILE A 94 -3.974 -0.892 -3.565 1.00 0.00 O ATOM 1456 CB ILE A 94 -5.068 1.952 -1.998 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.823 3.457 -1.869 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.455 1.171 -0.834 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.616 4.043 -0.699 1.00 0.00 C ATOM 0 H ILE A 94 -6.011 2.629 -4.253 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.472 1.520 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.146 1.796 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.759 3.645 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.110 3.957 -2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.835 1.565 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.722 0.118 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.370 1.273 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.424 5.114 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.681 3.875 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.309 3.558 0.228 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.150 -0.322 -3.803 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.595 -1.684 -4.048 1.00 0.00 C ATOM 1473 C LYS A 95 -5.782 -2.282 -5.199 1.00 0.00 C ATOM 1474 O LYS A 95 -5.719 -3.501 -5.351 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.106 -1.720 -4.280 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.475 -1.051 -5.606 1.00 0.00 C ATOM 1477 CD LYS A 95 -9.993 -0.971 -5.776 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.672 -0.576 -4.463 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.087 -0.211 -4.701 1.00 0.00 N ATOM 0 H LYS A 95 -6.892 0.378 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.415 -2.307 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.452 -2.753 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.615 -1.214 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.048 -0.049 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.042 -1.613 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.238 -0.243 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.376 -1.935 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.618 -1.403 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.144 0.264 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.322 0.642 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.232 -0.025 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.703 -0.994 -4.401 1.00 0.00 H new ATOM 1493 N GLU A 96 -5.180 -1.396 -5.979 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.374 -1.821 -7.111 1.00 0.00 C ATOM 1495 C GLU A 96 -2.979 -2.240 -6.642 1.00 0.00 C ATOM 1496 O GLU A 96 -2.473 -3.286 -7.044 1.00 0.00 O ATOM 1497 CB GLU A 96 -4.289 -0.718 -8.168 1.00 0.00 C ATOM 1498 CG GLU A 96 -5.654 -0.469 -8.812 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.910 -1.456 -9.953 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.928 -1.777 -10.657 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -7.082 -1.867 -10.095 1.00 0.00 O ATOM 0 H GLU A 96 -5.234 -0.386 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.855 -2.684 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.926 0.202 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.567 -0.999 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.438 -0.565 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.700 0.552 -9.192 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.397 -1.401 -5.797 1.00 0.00 N ATOM 1509 CA LYS A 97 -1.071 -1.671 -5.268 1.00 0.00 C ATOM 1510 C LYS A 97 -1.119 -2.930 -4.400 1.00 0.00 C ATOM 1511 O LYS A 97 -0.474 -3.930 -4.713 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.524 -0.442 -4.540 1.00 0.00 C ATOM 1513 CG LYS A 97 0.782 0.037 -5.177 1.00 0.00 C ATOM 1514 CD LYS A 97 0.557 0.472 -6.627 1.00 0.00 C ATOM 1515 CE LYS A 97 -0.214 1.792 -6.690 1.00 0.00 C ATOM 1516 NZ LYS A 97 -0.445 2.190 -8.097 1.00 0.00 N ATOM 0 H LYS A 97 -2.820 -0.534 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.371 -1.870 -6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.262 0.360 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.354 -0.682 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.187 0.870 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.522 -0.763 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.517 0.583 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.005 -0.302 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.168 1.688 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.345 2.572 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.863 3.142 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.460 2.194 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.095 1.514 -8.547 1.00 0.00 H new ATOM 1530 N ILE A 98 -1.890 -2.840 -3.326 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.031 -3.960 -2.410 1.00 0.00 C ATOM 1532 C ILE A 98 -2.095 -5.262 -3.210 1.00 0.00 C ATOM 1533 O ILE A 98 -1.306 -6.177 -2.979 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.230 -3.747 -1.484 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -3.420 -4.943 -0.550 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.495 -3.440 -2.287 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -4.343 -4.586 0.618 1.00 0.00 C ATOM 0 H ILE A 98 -2.423 -2.009 -3.070 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.162 -4.030 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.028 -2.878 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.840 -5.781 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.452 -5.267 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.332 -3.293 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.342 -2.535 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.713 -4.273 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.461 -5.454 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.908 -3.764 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.317 -4.285 0.233 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.043 -5.305 -4.135 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.221 -6.481 -4.970 1.00 0.00 C ATOM 1551 C TYR A 99 -1.886 -6.942 -5.560 1.00 0.00 C ATOM 1552 O TYR A 99 -1.566 -8.129 -5.527 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.147 -6.052 -6.110 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.292 -7.095 -7.220 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -3.214 -7.402 -8.024 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.502 -7.730 -7.416 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.351 -8.384 -9.069 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.639 -8.712 -8.460 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.556 -8.990 -9.235 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.686 -9.918 -10.221 1.00 0.00 O ATOM 0 H TYR A 99 -3.696 -4.544 -4.325 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.629 -7.307 -4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.133 -5.833 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.769 -5.126 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.267 -6.906 -7.870 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.346 -7.490 -6.786 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.515 -8.633 -9.706 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.580 -9.216 -8.624 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.601 -10.268 -10.222 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.143 -5.978 -6.084 1.00 0.00 N ATOM 1571 CA VAL A 100 0.150 -6.270 -6.679 1.00 0.00 C ATOM 1572 C VAL A 100 1.140 -6.651 -5.577 1.00 0.00 C ATOM 1573 O VAL A 100 1.993 -7.515 -5.775 1.00 0.00 O ATOM 1574 CB VAL A 100 0.619 -5.082 -7.520 1.00 0.00 C ATOM 1575 CG1 VAL A 100 1.851 -5.449 -8.350 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.509 -4.562 -8.414 1.00 0.00 C ATOM 0 H VAL A 100 -1.412 -4.994 -6.109 1.00 0.00 H new ATOM 0 HA VAL A 100 0.075 -7.121 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 100 0.902 -4.281 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.163 -4.586 -8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.662 -5.748 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.607 -6.275 -9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.148 -3.717 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.837 -5.356 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.346 -4.242 -7.794 1.00 0.00 H new ATOM 1586 N LEU A 101 0.994 -5.987 -4.439 1.00 0.00 N ATOM 1587 CA LEU A 101 1.865 -6.245 -3.305 1.00 0.00 C ATOM 1588 C LEU A 101 1.834 -7.739 -2.973 1.00 0.00 C ATOM 1589 O LEU A 101 2.812 -8.285 -2.465 1.00 0.00 O ATOM 1590 CB LEU A 101 1.489 -5.346 -2.126 1.00 0.00 C ATOM 1591 CG LEU A 101 1.889 -5.856 -0.740 1.00 0.00 C ATOM 1592 CD1 LEU A 101 3.143 -5.141 -0.233 1.00 0.00 C ATOM 1593 CD2 LEU A 101 0.724 -5.736 0.245 1.00 0.00 C ATOM 0 H LEU A 101 0.286 -5.271 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 101 2.897 -5.994 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.948 -4.369 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.409 -5.196 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 101 2.134 -6.915 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.405 -5.522 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.968 -5.320 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.950 -4.070 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.034 -6.105 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.425 -4.691 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.119 -6.326 -0.115 1.00 0.00 H new ATOM 1605 N LEU A 102 0.702 -8.356 -3.275 1.00 0.00 N ATOM 1606 CA LEU A 102 0.531 -9.776 -3.015 1.00 0.00 C ATOM 1607 C LEU A 102 1.151 -10.578 -4.161 1.00 0.00 C ATOM 1608 O LEU A 102 1.656 -11.679 -3.951 1.00 0.00 O ATOM 1609 CB LEU A 102 -0.943 -10.101 -2.764 1.00 0.00 C ATOM 1610 CG LEU A 102 -1.546 -9.531 -1.479 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -0.457 -8.961 -0.568 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -2.630 -8.498 -1.793 1.00 0.00 C ATOM 0 H LEU A 102 -0.106 -7.899 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 102 1.056 -10.063 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.525 -9.733 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.058 -11.185 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.026 -10.346 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.913 -8.562 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.246 -9.751 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.072 -8.163 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.042 -8.109 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.197 -7.680 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.424 -8.969 -2.373 1.00 0.00 H new ATOM 1624 N ARG A 103 1.093 -9.993 -5.349 1.00 0.00 N ATOM 1625 CA ARG A 103 1.643 -10.640 -6.529 1.00 0.00 C ATOM 1626 C ARG A 103 3.127 -10.949 -6.321 1.00 0.00 C ATOM 1627 O ARG A 103 3.552 -12.095 -6.462 1.00 0.00 O ATOM 1628 CB ARG A 103 1.481 -9.756 -7.767 1.00 0.00 C ATOM 1629 CG ARG A 103 0.009 -9.423 -8.015 1.00 0.00 C ATOM 1630 CD ARG A 103 -0.743 -10.639 -8.562 1.00 0.00 C ATOM 1631 NE ARG A 103 0.087 -11.336 -9.569 1.00 0.00 N ATOM 1632 CZ ARG A 103 0.625 -12.550 -9.390 1.00 0.00 C ATOM 1633 NH1 ARG A 103 0.423 -13.209 -8.241 1.00 0.00 N ATOM 1634 NH2 ARG A 103 1.364 -13.106 -10.359 1.00 0.00 N ATOM 0 H ARG A 103 0.674 -9.079 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 103 1.094 -11.568 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 103 2.049 -8.835 -7.637 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.894 -10.265 -8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.454 -9.092 -7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.067 -8.596 -8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.990 -11.320 -7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.685 -10.323 -9.011 1.00 0.00 H new ATOM 0 HE ARG A 103 0.261 -10.862 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.140 -12.786 -7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.832 -14.133 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.518 -12.605 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.773 -14.030 -10.222 1.00 0.00 H new ATOM 1648 N ARG A 104 3.875 -9.907 -5.990 1.00 0.00 N ATOM 1649 CA ARG A 104 5.303 -10.053 -5.762 1.00 0.00 C ATOM 1650 C ARG A 104 5.557 -10.843 -4.476 1.00 0.00 C ATOM 1651 O ARG A 104 6.352 -11.782 -4.467 1.00 0.00 O ATOM 1652 CB ARG A 104 5.986 -8.688 -5.657 1.00 0.00 C ATOM 1653 CG ARG A 104 5.439 -7.891 -4.471 1.00 0.00 C ATOM 1654 CD ARG A 104 5.803 -6.410 -4.592 1.00 0.00 C ATOM 1655 NE ARG A 104 7.018 -6.121 -3.797 1.00 0.00 N ATOM 1656 CZ ARG A 104 8.268 -6.294 -4.246 1.00 0.00 C ATOM 1657 NH1 ARG A 104 8.477 -6.757 -5.486 1.00 0.00 N ATOM 1658 NH2 ARG A 104 9.310 -6.006 -3.454 1.00 0.00 N ATOM 0 H ARG A 104 3.519 -8.958 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 104 5.721 -10.592 -6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.062 -8.823 -5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.831 -8.128 -6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.356 -8.000 -4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.841 -8.293 -3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.973 -6.153 -5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.975 -5.794 -4.243 1.00 0.00 H new ATOM 0 HE ARG A 104 6.896 -5.768 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.684 -6.978 -6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 104 9.429 -6.889 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.151 -5.655 -2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 104 10.262 -6.138 -3.796 1.00 0.00 H new ATOM 1672 N GLN A 105 4.866 -10.434 -3.422 1.00 0.00 N ATOM 1673 CA GLN A 105 5.007 -11.092 -2.134 1.00 0.00 C ATOM 1674 C GLN A 105 5.032 -12.612 -2.314 1.00 0.00 C ATOM 1675 O GLN A 105 5.703 -13.318 -1.563 1.00 0.00 O ATOM 1676 CB GLN A 105 3.889 -10.672 -1.179 1.00 0.00 C ATOM 1677 CG GLN A 105 4.330 -9.500 -0.300 1.00 0.00 C ATOM 1678 CD GLN A 105 4.234 -9.860 1.184 1.00 0.00 C ATOM 1679 OE1 GLN A 105 4.862 -10.788 1.666 1.00 0.00 O ATOM 1680 NE2 GLN A 105 3.414 -9.076 1.878 1.00 0.00 N ATOM 0 H GLN A 105 4.207 -9.655 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 105 5.954 -10.782 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.005 -10.390 -1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.606 -11.516 -0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.355 -9.223 -0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.707 -8.630 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.919 -8.316 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.280 -9.235 2.877 1.00 0.00 H new ATOM 1689 N ALA A 106 4.294 -13.069 -3.315 1.00 0.00 N ATOM 1690 CA ALA A 106 4.223 -14.492 -3.603 1.00 0.00 C ATOM 1691 C ALA A 106 5.561 -14.958 -4.179 1.00 0.00 C ATOM 1692 O ALA A 106 6.402 -15.489 -3.455 1.00 0.00 O ATOM 1693 CB ALA A 106 3.054 -14.763 -4.551 1.00 0.00 C ATOM 0 H ALA A 106 3.740 -12.480 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 106 4.041 -15.060 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.001 -15.830 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.124 -14.441 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.203 -14.212 -5.479 1.00 0.00 H new ATOM 1699 N GLN A 107 5.718 -14.742 -5.477 1.00 0.00 N ATOM 1700 CA GLN A 107 6.940 -15.134 -6.159 1.00 0.00 C ATOM 1701 C GLN A 107 7.239 -14.169 -7.308 1.00 0.00 C ATOM 1702 O GLN A 107 8.209 -13.415 -7.254 1.00 0.00 O ATOM 1703 CB GLN A 107 6.848 -16.576 -6.663 1.00 0.00 C ATOM 1704 CG GLN A 107 6.645 -17.551 -5.502 1.00 0.00 C ATOM 1705 CD GLN A 107 7.164 -18.945 -5.859 1.00 0.00 C ATOM 1706 OE1 GLN A 107 7.813 -19.154 -6.871 1.00 0.00 O ATOM 1707 NE2 GLN A 107 6.842 -19.885 -4.975 1.00 0.00 N ATOM 0 H GLN A 107 5.019 -14.300 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 107 7.763 -15.085 -5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.021 -16.667 -7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.758 -16.834 -7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.164 -17.182 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.586 -17.607 -5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.296 -19.642 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.141 -20.849 -5.124 1.00 0.00 H new ATOM 1716 N GLN A 108 6.387 -14.224 -8.322 1.00 0.00 N ATOM 1717 CA GLN A 108 6.548 -13.365 -9.482 1.00 0.00 C ATOM 1718 C GLN A 108 7.747 -13.818 -10.316 1.00 0.00 C ATOM 1719 O GLN A 108 7.600 -14.152 -11.491 1.00 0.00 O ATOM 1720 CB GLN A 108 6.693 -11.900 -9.064 1.00 0.00 C ATOM 1721 CG GLN A 108 5.699 -11.014 -9.816 1.00 0.00 C ATOM 1722 CD GLN A 108 6.275 -9.614 -10.043 1.00 0.00 C ATOM 1723 OE1 GLN A 108 7.476 -9.409 -10.091 1.00 0.00 O ATOM 1724 NE2 GLN A 108 5.352 -8.665 -10.178 1.00 0.00 N ATOM 0 H GLN A 108 5.583 -14.850 -8.364 1.00 0.00 H new ATOM 0 HA GLN A 108 5.651 -13.446 -10.097 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.529 -11.807 -7.990 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.710 -11.561 -9.262 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.453 -11.470 -10.775 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.770 -10.942 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.362 -8.906 -10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.634 -7.697 -10.332 1.00 0.00 H new ATOM 1733 N ALA A 109 8.908 -13.816 -9.677 1.00 0.00 N ATOM 1734 CA ALA A 109 10.132 -14.223 -10.345 1.00 0.00 C ATOM 1735 C ALA A 109 10.362 -13.331 -11.567 1.00 0.00 C ATOM 1736 O ALA A 109 10.423 -13.819 -12.694 1.00 0.00 O ATOM 1737 CB ALA A 109 10.044 -15.705 -10.714 1.00 0.00 C ATOM 0 H ALA A 109 9.026 -13.539 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 109 10.989 -14.102 -9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.962 -16.010 -11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.910 -16.298 -9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.197 -15.864 -11.381 1.00 0.00 H new ATOM 1743 N GLY A 110 10.483 -12.038 -11.301 1.00 0.00 N ATOM 1744 CA GLY A 110 10.705 -11.074 -12.365 1.00 0.00 C ATOM 1745 C GLY A 110 12.065 -10.390 -12.210 1.00 0.00 C ATOM 1746 O GLY A 110 12.137 -9.172 -12.053 1.00 0.00 O ATOM 0 H GLY A 110 10.431 -11.636 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.654 -11.576 -13.331 1.00 0.00 H new ATOM 0 HA3 GLY A 110 9.914 -10.325 -12.353 1.00 0.00 H new ATOM 1750 N LYS A 111 13.109 -11.203 -12.259 1.00 0.00 N ATOM 1751 CA LYS A 111 14.463 -10.692 -12.126 1.00 0.00 C ATOM 1752 C LYS A 111 15.025 -10.382 -13.515 1.00 0.00 C ATOM 1753 O LYS A 111 15.635 -9.334 -13.722 1.00 0.00 O ATOM 1754 CB LYS A 111 15.325 -11.663 -11.317 1.00 0.00 C ATOM 1755 CG LYS A 111 15.427 -11.219 -9.856 1.00 0.00 C ATOM 1756 CD LYS A 111 16.591 -10.247 -9.658 1.00 0.00 C ATOM 1757 CE LYS A 111 16.086 -8.868 -9.227 1.00 0.00 C ATOM 1758 NZ LYS A 111 16.496 -8.578 -7.835 1.00 0.00 N ATOM 0 H LYS A 111 13.045 -12.213 -12.389 1.00 0.00 H new ATOM 0 HA LYS A 111 14.464 -9.757 -11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.897 -12.664 -11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.322 -11.721 -11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.495 -10.743 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.564 -12.091 -9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 111 17.274 -10.640 -8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 111 17.157 -10.158 -10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 111 16.482 -8.104 -9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.000 -8.830 -9.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.145 -7.639 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.097 -9.298 -7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.534 -8.593 -7.768 1.00 0.00 H new TER 1772 LYS A 111