USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 937 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 37 TYR OH : rot 150:sc= 0.625 USER MOD Set 1.2: A 69 SER OG : rot -132:sc= 0.689 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 174:sc=-0.000678 (180deg=-0.0359) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.17) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0.915 (180deg=0.442) USER MOD Single : A 34 GLN : amide:sc= 0.0232 X(o=0.023,f=-0.066) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc=-0.000287 (180deg=-0.0916) USER MOD Single : A 36 GLN : amide:sc= -0.171 K(o=-0.17,f=-3.3!) USER MOD Single : A 39 ASN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -128:sc= 0.786 (180deg=-0.419) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 66:sc= 0.38 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 51:sc=-0.00529 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= 0.0495 X(o=0.049,f=-0.42) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.00099) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.37) USER MOD Single : A 112 HIS : no HD1:sc= -0.0335 X(o=-0.033,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.099 -3.312 20.620 1.00 13.42 N ATOM 2 CA MET A 1 -3.829 -3.285 19.163 1.00 54.44 C ATOM 3 C MET A 1 -2.806 -4.366 18.782 1.00 72.45 C ATOM 4 O MET A 1 -1.816 -4.578 19.500 1.00 20.53 O ATOM 5 CB MET A 1 -3.298 -1.888 18.729 1.00 74.52 C ATOM 6 CG MET A 1 -4.307 -0.738 18.845 1.00 22.30 C ATOM 7 SD MET A 1 -5.754 -0.994 17.799 1.00 53.22 S ATOM 8 CE MET A 1 -6.573 0.593 17.860 1.00 71.24 C ATOM 0 H1 MET A 1 -4.793 -2.575 20.858 1.00 13.42 H new ATOM 0 H2 MET A 1 -4.479 -4.243 20.886 1.00 13.42 H new ATOM 0 H3 MET A 1 -3.215 -3.137 21.140 1.00 13.42 H new ATOM 0 HA MET A 1 -4.767 -3.485 18.644 1.00 54.44 H new ATOM 0 HB2 MET A 1 -2.425 -1.646 19.334 1.00 74.52 H new ATOM 0 HB3 MET A 1 -2.961 -1.951 17.694 1.00 74.52 H new ATOM 0 HG2 MET A 1 -4.624 -0.638 19.883 1.00 22.30 H new ATOM 0 HG3 MET A 1 -3.822 0.198 18.569 1.00 22.30 H new ATOM 0 HE1 MET A 1 -7.478 0.559 17.253 1.00 71.24 H new ATOM 0 HE2 MET A 1 -6.836 0.827 18.891 1.00 71.24 H new ATOM 0 HE3 MET A 1 -5.905 1.362 17.472 1.00 71.24 H new ATOM 20 N LEU A 2 -3.043 -5.051 17.646 1.00 60.52 N ATOM 21 CA LEU A 2 -2.038 -5.917 16.996 1.00 42.10 C ATOM 22 C LEU A 2 -1.424 -5.152 15.815 1.00 2.42 C ATOM 23 O LEU A 2 -2.060 -4.241 15.257 1.00 4.54 O ATOM 24 CB LEU A 2 -2.655 -7.302 16.576 1.00 74.42 C ATOM 25 CG LEU A 2 -3.936 -7.300 15.652 1.00 31.01 C ATOM 26 CD1 LEU A 2 -3.616 -7.044 14.156 1.00 3.55 C ATOM 27 CD2 LEU A 2 -4.755 -8.600 15.811 1.00 4.44 C ATOM 0 H LEU A 2 -3.935 -5.020 17.153 1.00 60.52 H new ATOM 0 HA LEU A 2 -1.243 -6.158 17.701 1.00 42.10 H new ATOM 0 HB2 LEU A 2 -1.878 -7.872 16.066 1.00 74.42 H new ATOM 0 HB3 LEU A 2 -2.903 -7.846 17.487 1.00 74.42 H new ATOM 0 HG LEU A 2 -4.540 -6.460 15.995 1.00 31.01 H new ATOM 0 HD11 LEU A 2 -4.541 -7.056 13.579 1.00 3.55 H new ATOM 0 HD12 LEU A 2 -3.133 -6.073 14.048 1.00 3.55 H new ATOM 0 HD13 LEU A 2 -2.949 -7.823 13.788 1.00 3.55 H new ATOM 0 HD21 LEU A 2 -5.628 -8.562 15.160 1.00 4.44 H new ATOM 0 HD22 LEU A 2 -4.137 -9.455 15.539 1.00 4.44 H new ATOM 0 HD23 LEU A 2 -5.079 -8.702 16.847 1.00 4.44 H new ATOM 39 N THR A 3 -0.191 -5.508 15.445 1.00 32.43 N ATOM 40 CA THR A 3 0.527 -4.848 14.345 1.00 53.42 C ATOM 41 C THR A 3 0.746 -5.844 13.194 1.00 60.01 C ATOM 42 O THR A 3 1.546 -6.780 13.313 1.00 23.12 O ATOM 43 CB THR A 3 1.894 -4.272 14.837 1.00 33.52 C ATOM 44 OG1 THR A 3 1.671 -3.393 15.953 1.00 54.11 O ATOM 45 CG2 THR A 3 2.623 -3.507 13.724 1.00 71.34 C ATOM 0 H THR A 3 0.337 -6.256 15.894 1.00 32.43 H new ATOM 0 HA THR A 3 -0.078 -4.015 13.985 1.00 53.42 H new ATOM 0 HB THR A 3 2.522 -5.111 15.136 1.00 33.52 H new ATOM 0 HG1 THR A 3 2.528 -3.033 16.262 1.00 54.11 H new ATOM 0 HG21 THR A 3 3.569 -3.122 14.106 1.00 71.34 H new ATOM 0 HG22 THR A 3 2.816 -4.178 12.887 1.00 71.34 H new ATOM 0 HG23 THR A 3 2.003 -2.676 13.387 1.00 71.34 H new ATOM 53 N VAL A 4 0.023 -5.638 12.085 1.00 42.52 N ATOM 54 CA VAL A 4 0.158 -6.463 10.882 1.00 3.33 C ATOM 55 C VAL A 4 1.044 -5.727 9.850 1.00 23.13 C ATOM 56 O VAL A 4 0.657 -4.706 9.263 1.00 42.31 O ATOM 57 CB VAL A 4 -1.238 -6.872 10.266 1.00 53.00 C ATOM 58 CG1 VAL A 4 -2.128 -5.656 9.965 1.00 24.33 C ATOM 59 CG2 VAL A 4 -1.060 -7.768 9.010 1.00 73.12 C ATOM 0 H VAL A 4 -0.671 -4.895 11.999 1.00 42.52 H new ATOM 0 HA VAL A 4 0.641 -7.398 11.165 1.00 3.33 H new ATOM 0 HB VAL A 4 -1.756 -7.457 11.026 1.00 53.00 H new ATOM 0 HG11 VAL A 4 -3.075 -5.994 9.543 1.00 24.33 H new ATOM 0 HG12 VAL A 4 -2.317 -5.106 10.887 1.00 24.33 H new ATOM 0 HG13 VAL A 4 -1.625 -5.005 9.251 1.00 24.33 H new ATOM 0 HG21 VAL A 4 -2.039 -8.032 8.610 1.00 73.12 H new ATOM 0 HG22 VAL A 4 -0.493 -7.225 8.253 1.00 73.12 H new ATOM 0 HG23 VAL A 4 -0.523 -8.676 9.284 1.00 73.12 H new ATOM 69 N GLU A 5 2.266 -6.241 9.674 1.00 24.30 N ATOM 70 CA GLU A 5 3.183 -5.778 8.626 1.00 71.24 C ATOM 71 C GLU A 5 3.069 -6.715 7.423 1.00 21.43 C ATOM 72 O GLU A 5 2.976 -7.936 7.578 1.00 33.02 O ATOM 73 CB GLU A 5 4.654 -5.734 9.128 1.00 0.43 C ATOM 74 CG GLU A 5 4.943 -4.633 10.167 1.00 50.24 C ATOM 75 CD GLU A 5 6.436 -4.514 10.532 1.00 12.42 C ATOM 76 OE1 GLU A 5 7.253 -4.184 9.638 1.00 1.00 O ATOM 77 OE2 GLU A 5 6.801 -4.754 11.702 1.00 14.41 O ATOM 0 H GLU A 5 2.647 -6.989 10.253 1.00 24.30 H new ATOM 0 HA GLU A 5 2.905 -4.763 8.344 1.00 71.24 H new ATOM 0 HB2 GLU A 5 4.905 -6.701 9.563 1.00 0.43 H new ATOM 0 HB3 GLU A 5 5.313 -5.589 8.272 1.00 0.43 H new ATOM 0 HG2 GLU A 5 4.594 -3.676 9.779 1.00 50.24 H new ATOM 0 HG3 GLU A 5 4.370 -4.838 11.072 1.00 50.24 H new ATOM 84 N VAL A 6 3.052 -6.125 6.232 1.00 61.11 N ATOM 85 CA VAL A 6 3.094 -6.852 4.965 1.00 54.13 C ATOM 86 C VAL A 6 4.103 -6.159 4.032 1.00 32.54 C ATOM 87 O VAL A 6 4.016 -4.943 3.783 1.00 1.32 O ATOM 88 CB VAL A 6 1.667 -6.984 4.299 1.00 22.32 C ATOM 89 CG1 VAL A 6 0.971 -5.619 4.100 1.00 41.35 C ATOM 90 CG2 VAL A 6 1.748 -7.785 2.977 1.00 43.44 C ATOM 0 H VAL A 6 3.008 -5.112 6.117 1.00 61.11 H new ATOM 0 HA VAL A 6 3.421 -7.874 5.155 1.00 54.13 H new ATOM 0 HB VAL A 6 1.041 -7.542 4.995 1.00 22.32 H new ATOM 0 HG11 VAL A 6 -0.005 -5.772 3.639 1.00 41.35 H new ATOM 0 HG12 VAL A 6 0.843 -5.131 5.066 1.00 41.35 H new ATOM 0 HG13 VAL A 6 1.583 -4.989 3.454 1.00 41.35 H new ATOM 0 HG21 VAL A 6 0.754 -7.863 2.537 1.00 43.44 H new ATOM 0 HG22 VAL A 6 2.413 -7.273 2.282 1.00 43.44 H new ATOM 0 HG23 VAL A 6 2.134 -8.784 3.180 1.00 43.44 H new ATOM 100 N GLU A 7 5.085 -6.941 3.581 1.00 54.51 N ATOM 101 CA GLU A 7 6.128 -6.504 2.664 1.00 52.23 C ATOM 102 C GLU A 7 5.654 -6.824 1.240 1.00 20.21 C ATOM 103 O GLU A 7 5.546 -7.998 0.861 1.00 70.23 O ATOM 104 CB GLU A 7 7.449 -7.228 3.044 1.00 75.20 C ATOM 105 CG GLU A 7 8.695 -6.827 2.218 1.00 42.35 C ATOM 106 CD GLU A 7 8.876 -7.630 0.912 1.00 5.10 C ATOM 107 OE1 GLU A 7 9.297 -8.805 0.989 1.00 65.15 O ATOM 108 OE2 GLU A 7 8.584 -7.104 -0.183 1.00 61.22 O ATOM 0 H GLU A 7 5.175 -7.920 3.853 1.00 54.51 H new ATOM 0 HA GLU A 7 6.320 -5.433 2.723 1.00 52.23 H new ATOM 0 HB2 GLU A 7 7.657 -7.037 4.097 1.00 75.20 H new ATOM 0 HB3 GLU A 7 7.296 -8.302 2.939 1.00 75.20 H new ATOM 0 HG2 GLU A 7 8.628 -5.767 1.973 1.00 42.35 H new ATOM 0 HG3 GLU A 7 9.583 -6.956 2.836 1.00 42.35 H new ATOM 115 N VAL A 8 5.341 -5.781 0.478 1.00 75.02 N ATOM 116 CA VAL A 8 4.800 -5.899 -0.880 1.00 72.10 C ATOM 117 C VAL A 8 5.877 -5.461 -1.880 1.00 52.31 C ATOM 118 O VAL A 8 6.185 -4.275 -1.976 1.00 65.13 O ATOM 119 CB VAL A 8 3.495 -5.025 -1.044 1.00 23.25 C ATOM 120 CG1 VAL A 8 2.905 -5.158 -2.463 1.00 71.51 C ATOM 121 CG2 VAL A 8 2.439 -5.380 0.034 1.00 2.50 C ATOM 0 H VAL A 8 5.456 -4.816 0.786 1.00 75.02 H new ATOM 0 HA VAL A 8 4.524 -6.936 -1.072 1.00 72.10 H new ATOM 0 HB VAL A 8 3.780 -3.983 -0.899 1.00 23.25 H new ATOM 0 HG11 VAL A 8 2.008 -4.544 -2.543 1.00 71.51 H new ATOM 0 HG12 VAL A 8 3.640 -4.824 -3.195 1.00 71.51 H new ATOM 0 HG13 VAL A 8 2.650 -6.200 -2.655 1.00 71.51 H new ATOM 0 HG21 VAL A 8 1.553 -4.761 -0.107 1.00 2.50 H new ATOM 0 HG22 VAL A 8 2.165 -6.431 -0.057 1.00 2.50 H new ATOM 0 HG23 VAL A 8 2.855 -5.198 1.025 1.00 2.50 H new ATOM 131 N LYS A 9 6.449 -6.419 -2.626 1.00 71.42 N ATOM 132 CA LYS A 9 7.522 -6.133 -3.587 1.00 23.31 C ATOM 133 C LYS A 9 6.894 -5.732 -4.932 1.00 25.40 C ATOM 134 O LYS A 9 6.303 -6.559 -5.632 1.00 1.12 O ATOM 135 CB LYS A 9 8.468 -7.357 -3.734 1.00 52.41 C ATOM 136 CG LYS A 9 9.810 -7.060 -4.449 1.00 34.23 C ATOM 137 CD LYS A 9 10.683 -6.003 -3.724 1.00 4.04 C ATOM 138 CE LYS A 9 11.112 -6.433 -2.311 1.00 11.13 C ATOM 139 NZ LYS A 9 11.856 -7.719 -2.303 1.00 53.24 N ATOM 0 H LYS A 9 6.183 -7.403 -2.580 1.00 71.42 H new ATOM 0 HA LYS A 9 8.131 -5.304 -3.225 1.00 23.31 H new ATOM 0 HB2 LYS A 9 8.682 -7.754 -2.742 1.00 52.41 H new ATOM 0 HB3 LYS A 9 7.945 -8.139 -4.285 1.00 52.41 H new ATOM 0 HG2 LYS A 9 10.377 -7.987 -4.538 1.00 34.23 H new ATOM 0 HG3 LYS A 9 9.603 -6.714 -5.462 1.00 34.23 H new ATOM 0 HD2 LYS A 9 11.573 -5.805 -4.322 1.00 4.04 H new ATOM 0 HD3 LYS A 9 10.128 -5.067 -3.659 1.00 4.04 H new ATOM 0 HE2 LYS A 9 11.736 -5.654 -1.873 1.00 11.13 H new ATOM 0 HE3 LYS A 9 10.228 -6.526 -1.680 1.00 11.13 H new ATOM 0 HZ1 LYS A 9 12.208 -7.910 -1.343 1.00 53.24 H new ATOM 0 HZ2 LYS A 9 11.222 -8.489 -2.599 1.00 53.24 H new ATOM 0 HZ3 LYS A 9 12.659 -7.660 -2.961 1.00 53.24 H new ATOM 153 N ILE A 10 7.015 -4.445 -5.261 1.00 12.34 N ATOM 154 CA ILE A 10 6.400 -3.833 -6.446 1.00 31.44 C ATOM 155 C ILE A 10 7.423 -3.792 -7.591 1.00 2.32 C ATOM 156 O ILE A 10 8.388 -3.014 -7.542 1.00 34.03 O ATOM 157 CB ILE A 10 5.912 -2.370 -6.134 1.00 42.43 C ATOM 158 CG1 ILE A 10 4.975 -2.375 -4.889 1.00 52.13 C ATOM 159 CG2 ILE A 10 5.215 -1.736 -7.370 1.00 31.31 C ATOM 160 CD1 ILE A 10 4.475 -1.011 -4.463 1.00 64.23 C ATOM 0 H ILE A 10 7.553 -3.783 -4.702 1.00 12.34 H new ATOM 0 HA ILE A 10 5.538 -4.434 -6.735 1.00 31.44 H new ATOM 0 HB ILE A 10 6.781 -1.753 -5.905 1.00 42.43 H new ATOM 0 HG12 ILE A 10 4.116 -3.011 -5.102 1.00 52.13 H new ATOM 0 HG13 ILE A 10 5.508 -2.828 -4.053 1.00 52.13 H new ATOM 0 HG21 ILE A 10 4.888 -0.725 -7.125 1.00 31.31 H new ATOM 0 HG22 ILE A 10 5.916 -1.699 -8.204 1.00 31.31 H new ATOM 0 HG23 ILE A 10 4.351 -2.339 -7.649 1.00 31.31 H new ATOM 0 HD11 ILE A 10 3.831 -1.116 -3.590 1.00 64.23 H new ATOM 0 HD12 ILE A 10 5.324 -0.374 -4.214 1.00 64.23 H new ATOM 0 HD13 ILE A 10 3.910 -0.560 -5.278 1.00 64.23 H new ATOM 172 N THR A 11 7.217 -4.644 -8.598 1.00 44.24 N ATOM 173 CA THR A 11 8.034 -4.665 -9.817 1.00 2.44 C ATOM 174 C THR A 11 7.291 -3.924 -10.957 1.00 32.23 C ATOM 175 O THR A 11 6.109 -4.185 -11.227 1.00 63.13 O ATOM 176 CB THR A 11 8.416 -6.134 -10.228 1.00 35.54 C ATOM 177 OG1 THR A 11 9.082 -6.140 -11.499 1.00 13.10 O ATOM 178 CG2 THR A 11 7.212 -7.089 -10.279 1.00 32.33 C ATOM 0 H THR A 11 6.475 -5.343 -8.592 1.00 44.24 H new ATOM 0 HA THR A 11 8.971 -4.144 -9.620 1.00 2.44 H new ATOM 0 HB THR A 11 9.083 -6.501 -9.448 1.00 35.54 H new ATOM 0 HG1 THR A 11 9.316 -7.060 -11.742 1.00 13.10 H new ATOM 0 HG21 THR A 11 7.549 -8.084 -10.569 1.00 32.33 H new ATOM 0 HG22 THR A 11 6.744 -7.137 -9.296 1.00 32.33 H new ATOM 0 HG23 THR A 11 6.489 -6.724 -11.008 1.00 32.33 H new ATOM 186 N ALA A 12 8.007 -2.975 -11.587 1.00 30.02 N ATOM 187 CA ALA A 12 7.499 -2.127 -12.680 1.00 22.43 C ATOM 188 C ALA A 12 8.682 -1.646 -13.533 1.00 71.21 C ATOM 189 O ALA A 12 9.832 -1.650 -13.059 1.00 33.44 O ATOM 190 CB ALA A 12 6.718 -0.934 -12.101 1.00 15.21 C ATOM 0 H ALA A 12 8.977 -2.772 -11.345 1.00 30.02 H new ATOM 0 HA ALA A 12 6.819 -2.701 -13.309 1.00 22.43 H new ATOM 0 HB1 ALA A 12 6.346 -0.313 -12.916 1.00 15.21 H new ATOM 0 HB2 ALA A 12 5.878 -1.301 -11.512 1.00 15.21 H new ATOM 0 HB3 ALA A 12 7.376 -0.342 -11.465 1.00 15.21 H new ATOM 196 N ASP A 13 8.396 -1.240 -14.783 1.00 4.41 N ATOM 197 CA ASP A 13 9.430 -0.759 -15.732 1.00 5.45 C ATOM 198 C ASP A 13 9.973 0.608 -15.300 1.00 32.13 C ATOM 199 O ASP A 13 11.125 0.942 -15.586 1.00 34.22 O ATOM 200 CB ASP A 13 8.886 -0.703 -17.184 1.00 12.13 C ATOM 201 CG ASP A 13 8.610 -2.093 -17.769 1.00 1.25 C ATOM 202 OD1 ASP A 13 7.502 -2.631 -17.573 1.00 43.24 O ATOM 203 OD2 ASP A 13 9.516 -2.672 -18.404 1.00 10.02 O ATOM 0 H ASP A 13 7.451 -1.234 -15.167 1.00 4.41 H new ATOM 0 HA ASP A 13 10.252 -1.475 -15.715 1.00 5.45 H new ATOM 0 HB2 ASP A 13 7.967 -0.118 -17.200 1.00 12.13 H new ATOM 0 HB3 ASP A 13 9.606 -0.184 -17.817 1.00 12.13 H new ATOM 208 N ASP A 14 9.127 1.395 -14.624 1.00 30.04 N ATOM 209 CA ASP A 14 9.570 2.597 -13.898 1.00 33.02 C ATOM 210 C ASP A 14 9.296 2.399 -12.416 1.00 41.13 C ATOM 211 O ASP A 14 8.205 2.699 -11.936 1.00 23.23 O ATOM 212 CB ASP A 14 8.884 3.882 -14.405 1.00 25.54 C ATOM 213 CG ASP A 14 9.298 4.279 -15.825 1.00 33.14 C ATOM 214 OD1 ASP A 14 10.514 4.355 -16.093 1.00 70.23 O ATOM 215 OD2 ASP A 14 8.415 4.563 -16.655 1.00 1.25 O ATOM 0 H ASP A 14 8.124 1.221 -14.563 1.00 30.04 H new ATOM 0 HA ASP A 14 10.638 2.728 -14.075 1.00 33.02 H new ATOM 0 HB2 ASP A 14 7.803 3.742 -14.376 1.00 25.54 H new ATOM 0 HB3 ASP A 14 9.118 4.701 -13.725 1.00 25.54 H new ATOM 220 N GLU A 15 10.282 1.830 -11.723 1.00 60.12 N ATOM 221 CA GLU A 15 10.269 1.660 -10.256 1.00 31.33 C ATOM 222 C GLU A 15 10.078 3.012 -9.518 1.00 2.35 C ATOM 223 O GLU A 15 9.384 3.071 -8.499 1.00 30.33 O ATOM 224 CB GLU A 15 11.580 0.962 -9.786 1.00 75.43 C ATOM 225 CG GLU A 15 12.880 1.792 -9.943 1.00 23.33 C ATOM 226 CD GLU A 15 13.260 2.103 -11.416 1.00 54.44 C ATOM 227 OE1 GLU A 15 13.908 1.261 -12.059 1.00 34.21 O ATOM 228 OE2 GLU A 15 12.889 3.182 -11.941 1.00 63.23 O ATOM 0 H GLU A 15 11.127 1.467 -12.163 1.00 60.12 H new ATOM 0 HA GLU A 15 9.417 1.029 -10.003 1.00 31.33 H new ATOM 0 HB2 GLU A 15 11.469 0.691 -8.736 1.00 75.43 H new ATOM 0 HB3 GLU A 15 11.695 0.033 -10.344 1.00 75.43 H new ATOM 0 HG2 GLU A 15 12.766 2.732 -9.402 1.00 23.33 H new ATOM 0 HG3 GLU A 15 13.702 1.252 -9.473 1.00 23.33 H new ATOM 235 N ASN A 16 10.669 4.091 -10.078 1.00 61.10 N ATOM 236 CA ASN A 16 10.598 5.441 -9.494 1.00 15.43 C ATOM 237 C ASN A 16 9.163 5.967 -9.561 1.00 24.24 C ATOM 238 O ASN A 16 8.595 6.313 -8.523 1.00 22.33 O ATOM 239 CB ASN A 16 11.569 6.415 -10.208 1.00 3.13 C ATOM 240 CG ASN A 16 11.472 7.887 -9.738 1.00 74.13 C ATOM 241 OD1 ASN A 16 11.699 8.807 -10.513 1.00 1.23 O ATOM 242 ND2 ASN A 16 11.128 8.130 -8.476 1.00 51.03 N ATOM 0 H ASN A 16 11.206 4.047 -10.944 1.00 61.10 H new ATOM 0 HA ASN A 16 10.903 5.377 -8.450 1.00 15.43 H new ATOM 0 HB2 ASN A 16 12.590 6.066 -10.055 1.00 3.13 H new ATOM 0 HB3 ASN A 16 11.377 6.377 -11.280 1.00 3.13 H new ATOM 0 HD21 ASN A 16 11.051 9.092 -8.145 1.00 51.03 H new ATOM 0 HD22 ASN A 16 10.941 7.355 -7.840 1.00 51.03 H new ATOM 249 N LYS A 17 8.575 5.985 -10.780 1.00 4.31 N ATOM 250 CA LYS A 17 7.205 6.492 -10.988 1.00 12.44 C ATOM 251 C LYS A 17 6.198 5.607 -10.249 1.00 34.33 C ATOM 252 O LYS A 17 5.197 6.110 -9.751 1.00 12.33 O ATOM 253 CB LYS A 17 6.852 6.562 -12.493 1.00 45.24 C ATOM 254 CG LYS A 17 7.682 7.568 -13.306 1.00 23.24 C ATOM 255 CD LYS A 17 7.469 9.029 -12.850 1.00 32.54 C ATOM 256 CE LYS A 17 8.287 10.024 -13.679 1.00 33.02 C ATOM 257 NZ LYS A 17 8.058 11.433 -13.250 1.00 22.22 N ATOM 0 H LYS A 17 9.030 5.654 -11.631 1.00 4.31 H new ATOM 0 HA LYS A 17 7.156 7.504 -10.585 1.00 12.44 H new ATOM 0 HB2 LYS A 17 6.981 5.571 -12.928 1.00 45.24 H new ATOM 0 HB3 LYS A 17 5.797 6.819 -12.592 1.00 45.24 H new ATOM 0 HG2 LYS A 17 8.739 7.315 -13.218 1.00 23.24 H new ATOM 0 HG3 LYS A 17 7.420 7.480 -14.360 1.00 23.24 H new ATOM 0 HD2 LYS A 17 6.411 9.280 -12.926 1.00 32.54 H new ATOM 0 HD3 LYS A 17 7.744 9.123 -11.799 1.00 32.54 H new ATOM 0 HE2 LYS A 17 9.347 9.786 -13.588 1.00 33.02 H new ATOM 0 HE3 LYS A 17 8.026 9.919 -14.732 1.00 33.02 H new ATOM 0 HZ1 LYS A 17 8.631 12.072 -13.837 1.00 22.22 H new ATOM 0 HZ2 LYS A 17 7.051 11.670 -13.360 1.00 22.22 H new ATOM 0 HZ3 LYS A 17 8.332 11.541 -12.252 1.00 22.22 H new ATOM 271 N ALA A 18 6.495 4.295 -10.186 1.00 52.13 N ATOM 272 CA ALA A 18 5.703 3.318 -9.419 1.00 52.41 C ATOM 273 C ALA A 18 5.600 3.742 -7.953 1.00 32.34 C ATOM 274 O ALA A 18 4.503 3.844 -7.409 1.00 44.01 O ATOM 275 CB ALA A 18 6.312 1.911 -9.521 1.00 3.15 C ATOM 0 H ALA A 18 7.294 3.883 -10.668 1.00 52.13 H new ATOM 0 HA ALA A 18 4.701 3.289 -9.848 1.00 52.41 H new ATOM 0 HB1 ALA A 18 5.707 1.210 -8.946 1.00 3.15 H new ATOM 0 HB2 ALA A 18 6.334 1.599 -10.565 1.00 3.15 H new ATOM 0 HB3 ALA A 18 7.327 1.924 -9.125 1.00 3.15 H new ATOM 281 N GLU A 19 6.765 4.043 -7.361 1.00 70.13 N ATOM 282 CA GLU A 19 6.870 4.461 -5.964 1.00 53.13 C ATOM 283 C GLU A 19 6.113 5.780 -5.719 1.00 23.22 C ATOM 284 O GLU A 19 5.341 5.874 -4.767 1.00 52.25 O ATOM 285 CB GLU A 19 8.356 4.617 -5.565 1.00 40.42 C ATOM 286 CG GLU A 19 8.546 4.967 -4.085 1.00 64.21 C ATOM 287 CD GLU A 19 10.001 5.183 -3.686 1.00 32.34 C ATOM 288 OE1 GLU A 19 10.690 4.200 -3.336 1.00 11.22 O ATOM 289 OE2 GLU A 19 10.474 6.344 -3.733 1.00 40.32 O ATOM 0 H GLU A 19 7.662 4.002 -7.844 1.00 70.13 H new ATOM 0 HA GLU A 19 6.413 3.689 -5.345 1.00 53.13 H new ATOM 0 HB2 GLU A 19 8.884 3.689 -5.784 1.00 40.42 H new ATOM 0 HB3 GLU A 19 8.811 5.395 -6.178 1.00 40.42 H new ATOM 0 HG2 GLU A 19 7.979 5.870 -3.859 1.00 64.21 H new ATOM 0 HG3 GLU A 19 8.127 4.167 -3.475 1.00 64.21 H new ATOM 296 N GLU A 20 6.324 6.777 -6.602 1.00 23.41 N ATOM 297 CA GLU A 20 5.723 8.121 -6.440 1.00 23.44 C ATOM 298 C GLU A 20 4.184 8.045 -6.452 1.00 73.21 C ATOM 299 O GLU A 20 3.519 8.707 -5.638 1.00 51.14 O ATOM 300 CB GLU A 20 6.222 9.118 -7.520 1.00 0.32 C ATOM 301 CG GLU A 20 7.759 9.221 -7.665 1.00 22.00 C ATOM 302 CD GLU A 20 8.540 9.262 -6.332 1.00 51.11 C ATOM 303 OE1 GLU A 20 8.424 10.265 -5.595 1.00 2.43 O ATOM 304 OE2 GLU A 20 9.286 8.294 -6.018 1.00 24.31 O ATOM 0 H GLU A 20 6.905 6.679 -7.435 1.00 23.41 H new ATOM 0 HA GLU A 20 6.047 8.496 -5.469 1.00 23.44 H new ATOM 0 HB2 GLU A 20 5.802 8.826 -8.482 1.00 0.32 H new ATOM 0 HB3 GLU A 20 5.828 10.107 -7.287 1.00 0.32 H new ATOM 0 HG2 GLU A 20 8.111 8.371 -8.249 1.00 22.00 H new ATOM 0 HG3 GLU A 20 7.996 10.119 -8.235 1.00 22.00 H new ATOM 311 N ILE A 21 3.645 7.190 -7.350 1.00 32.35 N ATOM 312 CA ILE A 21 2.206 6.893 -7.434 1.00 61.01 C ATOM 313 C ILE A 21 1.726 6.262 -6.116 1.00 63.33 C ATOM 314 O ILE A 21 0.843 6.807 -5.468 1.00 35.11 O ATOM 315 CB ILE A 21 1.876 5.930 -8.648 1.00 44.31 C ATOM 316 CG1 ILE A 21 2.143 6.635 -10.014 1.00 1.55 C ATOM 317 CG2 ILE A 21 0.422 5.402 -8.588 1.00 45.24 C ATOM 318 CD1 ILE A 21 1.983 5.723 -11.218 1.00 4.23 C ATOM 0 H ILE A 21 4.204 6.686 -8.039 1.00 32.35 H new ATOM 0 HA ILE A 21 1.680 7.832 -7.604 1.00 61.01 H new ATOM 0 HB ILE A 21 2.544 5.073 -8.564 1.00 44.31 H new ATOM 0 HG12 ILE A 21 1.460 7.479 -10.116 1.00 1.55 H new ATOM 0 HG13 ILE A 21 3.154 7.042 -10.010 1.00 1.55 H new ATOM 0 HG21 ILE A 21 0.238 4.746 -9.439 1.00 45.24 H new ATOM 0 HG22 ILE A 21 0.275 4.846 -7.662 1.00 45.24 H new ATOM 0 HG23 ILE A 21 -0.272 6.242 -8.621 1.00 45.24 H new ATOM 0 HD11 ILE A 21 2.185 6.285 -12.130 1.00 4.23 H new ATOM 0 HD12 ILE A 21 2.685 4.892 -11.141 1.00 4.23 H new ATOM 0 HD13 ILE A 21 0.965 5.336 -11.248 1.00 4.23 H new ATOM 330 N VAL A 22 2.366 5.152 -5.712 1.00 72.15 N ATOM 331 CA VAL A 22 1.952 4.356 -4.539 1.00 40.55 C ATOM 332 C VAL A 22 1.930 5.214 -3.252 1.00 13.14 C ATOM 333 O VAL A 22 0.939 5.204 -2.529 1.00 20.24 O ATOM 334 CB VAL A 22 2.869 3.080 -4.371 1.00 2.51 C ATOM 335 CG1 VAL A 22 2.594 2.332 -3.046 1.00 31.14 C ATOM 336 CG2 VAL A 22 2.689 2.129 -5.577 1.00 12.24 C ATOM 0 H VAL A 22 3.187 4.779 -6.189 1.00 72.15 H new ATOM 0 HA VAL A 22 0.933 4.011 -4.712 1.00 40.55 H new ATOM 0 HB VAL A 22 3.903 3.424 -4.336 1.00 2.51 H new ATOM 0 HG11 VAL A 22 3.248 1.463 -2.976 1.00 31.14 H new ATOM 0 HG12 VAL A 22 2.786 2.999 -2.205 1.00 31.14 H new ATOM 0 HG13 VAL A 22 1.554 2.006 -3.021 1.00 31.14 H new ATOM 0 HG21 VAL A 22 3.326 1.254 -5.449 1.00 12.24 H new ATOM 0 HG22 VAL A 22 1.648 1.813 -5.639 1.00 12.24 H new ATOM 0 HG23 VAL A 22 2.966 2.648 -6.494 1.00 12.24 H new ATOM 346 N LYS A 23 2.993 6.009 -3.031 1.00 5.23 N ATOM 347 CA LYS A 23 3.091 6.927 -1.868 1.00 64.05 C ATOM 348 C LYS A 23 1.954 7.967 -1.886 1.00 14.15 C ATOM 349 O LYS A 23 1.286 8.189 -0.858 1.00 22.53 O ATOM 350 CB LYS A 23 4.464 7.654 -1.846 1.00 12.35 C ATOM 351 CG LYS A 23 5.666 6.707 -1.679 1.00 0.41 C ATOM 352 CD LYS A 23 7.030 7.435 -1.659 1.00 15.45 C ATOM 353 CE LYS A 23 7.292 8.245 -2.939 1.00 74.03 C ATOM 354 NZ LYS A 23 8.706 8.701 -3.025 1.00 74.13 N ATOM 0 H LYS A 23 3.806 6.038 -3.646 1.00 5.23 H new ATOM 0 HA LYS A 23 2.999 6.321 -0.966 1.00 64.05 H new ATOM 0 HB2 LYS A 23 4.582 8.216 -2.773 1.00 12.35 H new ATOM 0 HB3 LYS A 23 4.468 8.378 -1.031 1.00 12.35 H new ATOM 0 HG2 LYS A 23 5.550 6.146 -0.752 1.00 0.41 H new ATOM 0 HG3 LYS A 23 5.662 5.982 -2.493 1.00 0.41 H new ATOM 0 HD2 LYS A 23 7.068 8.102 -0.798 1.00 15.45 H new ATOM 0 HD3 LYS A 23 7.826 6.702 -1.529 1.00 15.45 H new ATOM 0 HE2 LYS A 23 7.053 7.635 -3.810 1.00 74.03 H new ATOM 0 HE3 LYS A 23 6.629 9.110 -2.964 1.00 74.03 H new ATOM 0 HZ1 LYS A 23 8.795 9.418 -3.773 1.00 74.13 H new ATOM 0 HZ2 LYS A 23 8.994 9.113 -2.115 1.00 74.13 H new ATOM 0 HZ3 LYS A 23 9.319 7.891 -3.248 1.00 74.13 H new ATOM 368 N ARG A 24 1.730 8.563 -3.080 1.00 65.14 N ATOM 369 CA ARG A 24 0.670 9.565 -3.302 1.00 25.44 C ATOM 370 C ARG A 24 -0.716 8.975 -2.963 1.00 41.52 C ATOM 371 O ARG A 24 -1.531 9.609 -2.295 1.00 45.52 O ATOM 372 CB ARG A 24 0.662 10.034 -4.783 1.00 12.23 C ATOM 373 CG ARG A 24 -0.247 11.263 -5.088 1.00 53.51 C ATOM 374 CD ARG A 24 -0.849 11.227 -6.507 1.00 14.41 C ATOM 375 NE ARG A 24 -1.954 10.257 -6.586 1.00 33.03 N ATOM 376 CZ ARG A 24 -2.366 9.615 -7.683 1.00 41.24 C ATOM 377 NH1 ARG A 24 -1.755 9.795 -8.858 1.00 33.54 N ATOM 378 NH2 ARG A 24 -3.423 8.819 -7.592 1.00 32.21 N ATOM 0 H ARG A 24 2.281 8.361 -3.914 1.00 65.14 H new ATOM 0 HA ARG A 24 0.876 10.414 -2.650 1.00 25.44 H new ATOM 0 HB2 ARG A 24 1.684 10.277 -5.075 1.00 12.23 H new ATOM 0 HB3 ARG A 24 0.341 9.201 -5.409 1.00 12.23 H new ATOM 0 HG2 ARG A 24 -1.055 11.301 -4.357 1.00 53.51 H new ATOM 0 HG3 ARG A 24 0.335 12.177 -4.969 1.00 53.51 H new ATOM 0 HD2 ARG A 24 -1.211 12.219 -6.778 1.00 14.41 H new ATOM 0 HD3 ARG A 24 -0.075 10.962 -7.228 1.00 14.41 H new ATOM 0 HE ARG A 24 -2.453 10.056 -5.720 1.00 33.03 H new ATOM 0 HH11 ARG A 24 -0.961 10.431 -8.928 1.00 33.54 H new ATOM 0 HH12 ARG A 24 -2.083 9.296 -9.685 1.00 33.54 H new ATOM 0 HH21 ARG A 24 -3.902 8.708 -6.698 1.00 32.21 H new ATOM 0 HH22 ARG A 24 -3.757 8.318 -8.416 1.00 32.21 H new ATOM 392 N VAL A 25 -0.940 7.732 -3.419 1.00 54.12 N ATOM 393 CA VAL A 25 -2.239 7.064 -3.320 1.00 21.44 C ATOM 394 C VAL A 25 -2.530 6.606 -1.885 1.00 41.42 C ATOM 395 O VAL A 25 -3.637 6.815 -1.404 1.00 23.11 O ATOM 396 CB VAL A 25 -2.356 5.860 -4.320 1.00 0.13 C ATOM 397 CG1 VAL A 25 -3.707 5.142 -4.170 1.00 43.51 C ATOM 398 CG2 VAL A 25 -2.159 6.330 -5.775 1.00 41.34 C ATOM 0 H VAL A 25 -0.221 7.164 -3.867 1.00 54.12 H new ATOM 0 HA VAL A 25 -2.992 7.801 -3.599 1.00 21.44 H new ATOM 0 HB VAL A 25 -1.564 5.152 -4.075 1.00 0.13 H new ATOM 0 HG11 VAL A 25 -3.759 4.313 -4.876 1.00 43.51 H new ATOM 0 HG12 VAL A 25 -3.805 4.760 -3.154 1.00 43.51 H new ATOM 0 HG13 VAL A 25 -4.516 5.843 -4.374 1.00 43.51 H new ATOM 0 HG21 VAL A 25 -2.245 5.477 -6.448 1.00 41.34 H new ATOM 0 HG22 VAL A 25 -2.921 7.068 -6.025 1.00 41.34 H new ATOM 0 HG23 VAL A 25 -1.171 6.778 -5.882 1.00 41.34 H new ATOM 408 N ILE A 26 -1.532 6.015 -1.194 1.00 32.42 N ATOM 409 CA ILE A 26 -1.692 5.590 0.219 1.00 10.24 C ATOM 410 C ILE A 26 -1.974 6.817 1.102 1.00 24.14 C ATOM 411 O ILE A 26 -2.686 6.714 2.087 1.00 42.33 O ATOM 412 CB ILE A 26 -0.437 4.812 0.771 1.00 14.15 C ATOM 413 CG1 ILE A 26 -0.106 3.584 -0.119 1.00 51.20 C ATOM 414 CG2 ILE A 26 -0.652 4.353 2.245 1.00 23.03 C ATOM 415 CD1 ILE A 26 1.212 2.923 0.229 1.00 14.20 C ATOM 0 H ILE A 26 -0.611 5.821 -1.586 1.00 32.42 H new ATOM 0 HA ILE A 26 -2.535 4.899 0.251 1.00 10.24 H new ATOM 0 HB ILE A 26 0.405 5.504 0.745 1.00 14.15 H new ATOM 0 HG12 ILE A 26 -0.907 2.851 -0.025 1.00 51.20 H new ATOM 0 HG13 ILE A 26 -0.082 3.898 -1.163 1.00 51.20 H new ATOM 0 HG21 ILE A 26 0.233 3.820 2.593 1.00 23.03 H new ATOM 0 HG22 ILE A 26 -0.822 5.225 2.876 1.00 23.03 H new ATOM 0 HG23 ILE A 26 -1.517 3.693 2.298 1.00 23.03 H new ATOM 0 HD11 ILE A 26 1.379 2.073 -0.433 1.00 14.20 H new ATOM 0 HD12 ILE A 26 2.023 3.642 0.108 1.00 14.20 H new ATOM 0 HD13 ILE A 26 1.184 2.578 1.263 1.00 14.20 H new ATOM 427 N ASP A 27 -1.431 7.979 0.697 1.00 64.23 N ATOM 428 CA ASP A 27 -1.722 9.274 1.341 1.00 4.41 C ATOM 429 C ASP A 27 -3.219 9.631 1.181 1.00 12.43 C ATOM 430 O ASP A 27 -3.869 10.095 2.129 1.00 20.34 O ATOM 431 CB ASP A 27 -0.806 10.379 0.743 1.00 32.31 C ATOM 432 CG ASP A 27 -0.927 11.732 1.461 1.00 2.54 C ATOM 433 OD1 ASP A 27 -0.327 11.896 2.550 1.00 31.21 O ATOM 434 OD2 ASP A 27 -1.625 12.629 0.952 1.00 54.34 O ATOM 0 H ASP A 27 -0.779 8.048 -0.085 1.00 64.23 H new ATOM 0 HA ASP A 27 -1.513 9.201 2.408 1.00 4.41 H new ATOM 0 HB2 ASP A 27 0.230 10.044 0.788 1.00 32.31 H new ATOM 0 HB3 ASP A 27 -1.052 10.513 -0.310 1.00 32.31 H new ATOM 439 N GLU A 28 -3.757 9.343 -0.019 1.00 74.41 N ATOM 440 CA GLU A 28 -5.169 9.603 -0.369 1.00 31.41 C ATOM 441 C GLU A 28 -6.113 8.517 0.222 1.00 44.41 C ATOM 442 O GLU A 28 -7.326 8.741 0.323 1.00 75.30 O ATOM 443 CB GLU A 28 -5.330 9.667 -1.915 1.00 0.44 C ATOM 444 CG GLU A 28 -4.471 10.742 -2.610 1.00 63.53 C ATOM 445 CD GLU A 28 -4.523 10.662 -4.145 1.00 75.51 C ATOM 446 OE1 GLU A 28 -4.189 9.594 -4.708 1.00 31.44 O ATOM 447 OE2 GLU A 28 -4.876 11.665 -4.799 1.00 31.31 O ATOM 0 H GLU A 28 -3.222 8.921 -0.778 1.00 74.41 H new ATOM 0 HA GLU A 28 -5.451 10.562 0.065 1.00 31.41 H new ATOM 0 HB2 GLU A 28 -5.076 8.693 -2.333 1.00 0.44 H new ATOM 0 HB3 GLU A 28 -6.378 9.852 -2.150 1.00 0.44 H new ATOM 0 HG2 GLU A 28 -4.809 11.729 -2.293 1.00 63.53 H new ATOM 0 HG3 GLU A 28 -3.437 10.639 -2.282 1.00 63.53 H new ATOM 454 N VAL A 29 -5.554 7.338 0.571 1.00 62.31 N ATOM 455 CA VAL A 29 -6.301 6.226 1.211 1.00 62.34 C ATOM 456 C VAL A 29 -6.324 6.411 2.735 1.00 63.13 C ATOM 457 O VAL A 29 -7.337 6.148 3.385 1.00 51.01 O ATOM 458 CB VAL A 29 -5.656 4.826 0.848 1.00 50.12 C ATOM 459 CG1 VAL A 29 -6.334 3.651 1.592 1.00 31.40 C ATOM 460 CG2 VAL A 29 -5.692 4.595 -0.674 1.00 23.14 C ATOM 0 H VAL A 29 -4.568 7.127 0.417 1.00 62.31 H new ATOM 0 HA VAL A 29 -7.323 6.243 0.832 1.00 62.34 H new ATOM 0 HB VAL A 29 -4.618 4.856 1.180 1.00 50.12 H new ATOM 0 HG11 VAL A 29 -5.854 2.715 1.307 1.00 31.40 H new ATOM 0 HG12 VAL A 29 -6.236 3.797 2.668 1.00 31.40 H new ATOM 0 HG13 VAL A 29 -7.390 3.613 1.326 1.00 31.40 H new ATOM 0 HG21 VAL A 29 -5.245 3.628 -0.906 1.00 23.14 H new ATOM 0 HG22 VAL A 29 -6.726 4.609 -1.020 1.00 23.14 H new ATOM 0 HG23 VAL A 29 -5.131 5.384 -1.175 1.00 23.14 H new ATOM 470 N GLU A 30 -5.195 6.888 3.277 1.00 14.23 N ATOM 471 CA GLU A 30 -4.946 6.968 4.727 1.00 15.12 C ATOM 472 C GLU A 30 -5.901 7.956 5.396 1.00 61.45 C ATOM 473 O GLU A 30 -6.416 7.682 6.474 1.00 45.04 O ATOM 474 CB GLU A 30 -3.474 7.368 4.992 1.00 62.01 C ATOM 475 CG GLU A 30 -3.034 7.283 6.463 1.00 63.22 C ATOM 476 CD GLU A 30 -1.534 7.560 6.638 1.00 62.13 C ATOM 477 OE1 GLU A 30 -0.723 6.845 6.012 1.00 22.20 O ATOM 478 OE2 GLU A 30 -1.166 8.496 7.382 1.00 41.24 O ATOM 0 H GLU A 30 -4.417 7.234 2.715 1.00 14.23 H new ATOM 0 HA GLU A 30 -5.127 5.985 5.161 1.00 15.12 H new ATOM 0 HB2 GLU A 30 -2.825 6.726 4.396 1.00 62.01 H new ATOM 0 HB3 GLU A 30 -3.321 8.389 4.641 1.00 62.01 H new ATOM 0 HG2 GLU A 30 -3.605 8.000 7.053 1.00 63.22 H new ATOM 0 HG3 GLU A 30 -3.266 6.292 6.853 1.00 63.22 H new ATOM 485 N ARG A 31 -6.160 9.074 4.702 1.00 63.02 N ATOM 486 CA ARG A 31 -7.110 10.115 5.155 1.00 55.14 C ATOM 487 C ARG A 31 -8.535 9.523 5.332 1.00 22.12 C ATOM 488 O ARG A 31 -9.275 9.915 6.248 1.00 71.10 O ATOM 489 CB ARG A 31 -7.124 11.296 4.142 1.00 53.05 C ATOM 490 CG ARG A 31 -7.620 10.918 2.730 1.00 11.22 C ATOM 491 CD ARG A 31 -7.667 12.095 1.737 1.00 42.31 C ATOM 492 NE ARG A 31 -8.395 11.715 0.510 1.00 2.02 N ATOM 493 CZ ARG A 31 -8.095 12.112 -0.737 1.00 73.24 C ATOM 494 NH1 ARG A 31 -7.057 12.920 -0.975 1.00 1.41 N ATOM 495 NH2 ARG A 31 -8.839 11.687 -1.752 1.00 70.33 N ATOM 0 H ARG A 31 -5.718 9.287 3.808 1.00 63.02 H new ATOM 0 HA ARG A 31 -6.782 10.489 6.125 1.00 55.14 H new ATOM 0 HB2 ARG A 31 -7.758 12.090 4.536 1.00 53.05 H new ATOM 0 HB3 ARG A 31 -6.116 11.703 4.063 1.00 53.05 H new ATOM 0 HG2 ARG A 31 -6.970 10.142 2.325 1.00 11.22 H new ATOM 0 HG3 ARG A 31 -8.618 10.487 2.812 1.00 11.22 H new ATOM 0 HD2 ARG A 31 -8.153 12.952 2.204 1.00 42.31 H new ATOM 0 HD3 ARG A 31 -6.653 12.404 1.483 1.00 42.31 H new ATOM 0 HE ARG A 31 -9.198 11.095 0.620 1.00 2.02 H new ATOM 0 HH11 ARG A 31 -6.477 13.246 -0.202 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -6.845 13.211 -1.930 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -9.629 11.065 -1.580 1.00 70.33 H new ATOM 0 HH22 ARG A 31 -8.620 11.982 -2.703 1.00 70.33 H new ATOM 509 N GLU A 32 -8.884 8.553 4.456 1.00 34.20 N ATOM 510 CA GLU A 32 -10.171 7.837 4.492 1.00 14.24 C ATOM 511 C GLU A 32 -10.176 6.831 5.649 1.00 51.33 C ATOM 512 O GLU A 32 -11.180 6.676 6.350 1.00 41.10 O ATOM 513 CB GLU A 32 -10.413 7.100 3.140 1.00 70.42 C ATOM 514 CG GLU A 32 -10.279 7.987 1.882 1.00 4.53 C ATOM 515 CD GLU A 32 -11.238 9.190 1.871 1.00 3.03 C ATOM 516 OE1 GLU A 32 -12.448 8.989 1.655 1.00 43.33 O ATOM 517 OE2 GLU A 32 -10.790 10.345 2.062 1.00 43.04 O ATOM 0 H GLU A 32 -8.272 8.246 3.700 1.00 34.20 H new ATOM 0 HA GLU A 32 -10.973 8.558 4.646 1.00 14.24 H new ATOM 0 HB2 GLU A 32 -9.706 6.274 3.061 1.00 70.42 H new ATOM 0 HB3 GLU A 32 -11.412 6.664 3.154 1.00 70.42 H new ATOM 0 HG2 GLU A 32 -9.254 8.350 1.811 1.00 4.53 H new ATOM 0 HG3 GLU A 32 -10.463 7.378 0.997 1.00 4.53 H new ATOM 524 N VAL A 33 -9.023 6.165 5.835 1.00 44.23 N ATOM 525 CA VAL A 33 -8.808 5.191 6.916 1.00 30.42 C ATOM 526 C VAL A 33 -8.875 5.872 8.293 1.00 12.31 C ATOM 527 O VAL A 33 -9.323 5.265 9.247 1.00 61.21 O ATOM 528 CB VAL A 33 -7.430 4.437 6.730 1.00 4.31 C ATOM 529 CG1 VAL A 33 -7.067 3.555 7.949 1.00 54.30 C ATOM 530 CG2 VAL A 33 -7.440 3.598 5.430 1.00 65.05 C ATOM 0 H VAL A 33 -8.209 6.290 5.234 1.00 44.23 H new ATOM 0 HA VAL A 33 -9.608 4.453 6.865 1.00 30.42 H new ATOM 0 HB VAL A 33 -6.657 5.201 6.652 1.00 4.31 H new ATOM 0 HG11 VAL A 33 -6.113 3.060 7.769 1.00 54.30 H new ATOM 0 HG12 VAL A 33 -6.990 4.179 8.839 1.00 54.30 H new ATOM 0 HG13 VAL A 33 -7.842 2.804 8.098 1.00 54.30 H new ATOM 0 HG21 VAL A 33 -6.484 3.087 5.320 1.00 65.05 H new ATOM 0 HG22 VAL A 33 -8.242 2.861 5.479 1.00 65.05 H new ATOM 0 HG23 VAL A 33 -7.602 4.254 4.575 1.00 65.05 H new ATOM 540 N GLN A 34 -8.443 7.139 8.386 1.00 21.35 N ATOM 541 CA GLN A 34 -8.508 7.894 9.657 1.00 61.52 C ATOM 542 C GLN A 34 -9.965 8.270 10.006 1.00 14.30 C ATOM 543 O GLN A 34 -10.278 8.486 11.178 1.00 73.31 O ATOM 544 CB GLN A 34 -7.606 9.161 9.618 1.00 24.24 C ATOM 545 CG GLN A 34 -6.105 8.896 9.338 1.00 70.11 C ATOM 546 CD GLN A 34 -5.457 7.821 10.228 1.00 1.35 C ATOM 547 OE1 GLN A 34 -4.939 8.117 11.303 1.00 24.21 O ATOM 548 NE2 GLN A 34 -5.470 6.573 9.775 1.00 72.41 N ATOM 0 H GLN A 34 -8.047 7.663 7.606 1.00 21.35 H new ATOM 0 HA GLN A 34 -8.127 7.241 10.442 1.00 61.52 H new ATOM 0 HB2 GLN A 34 -7.988 9.836 8.852 1.00 24.24 H new ATOM 0 HB3 GLN A 34 -7.695 9.680 10.573 1.00 24.24 H new ATOM 0 HG2 GLN A 34 -5.992 8.599 8.295 1.00 70.11 H new ATOM 0 HG3 GLN A 34 -5.557 9.830 9.465 1.00 70.11 H new ATOM 0 HE21 GLN A 34 -5.908 6.360 8.879 1.00 72.41 H new ATOM 0 HE22 GLN A 34 -5.042 5.827 10.323 1.00 72.41 H new ATOM 557 N LYS A 35 -10.850 8.343 8.991 1.00 0.33 N ATOM 558 CA LYS A 35 -12.290 8.585 9.214 1.00 45.45 C ATOM 559 C LYS A 35 -12.973 7.293 9.701 1.00 64.54 C ATOM 560 O LYS A 35 -13.639 7.281 10.739 1.00 70.01 O ATOM 561 CB LYS A 35 -12.989 9.062 7.913 1.00 53.14 C ATOM 562 CG LYS A 35 -12.531 10.434 7.380 1.00 53.10 C ATOM 563 CD LYS A 35 -13.334 10.855 6.122 1.00 33.45 C ATOM 564 CE LYS A 35 -12.960 12.250 5.608 1.00 23.22 C ATOM 565 NZ LYS A 35 -13.225 13.317 6.611 1.00 63.34 N ATOM 0 H LYS A 35 -10.593 8.238 8.010 1.00 0.33 H new ATOM 0 HA LYS A 35 -12.381 9.365 9.970 1.00 45.45 H new ATOM 0 HB2 LYS A 35 -12.822 8.316 7.136 1.00 53.14 H new ATOM 0 HB3 LYS A 35 -14.064 9.101 8.092 1.00 53.14 H new ATOM 0 HG2 LYS A 35 -12.653 11.187 8.159 1.00 53.10 H new ATOM 0 HG3 LYS A 35 -11.469 10.395 7.138 1.00 53.10 H new ATOM 0 HD2 LYS A 35 -13.165 10.125 5.330 1.00 33.45 H new ATOM 0 HD3 LYS A 35 -14.399 10.833 6.354 1.00 33.45 H new ATOM 0 HE2 LYS A 35 -11.904 12.263 5.339 1.00 23.22 H new ATOM 0 HE3 LYS A 35 -13.523 12.462 4.699 1.00 23.22 H new ATOM 0 HZ1 LYS A 35 -13.085 14.249 6.172 1.00 63.34 H new ATOM 0 HZ2 LYS A 35 -14.205 13.238 6.951 1.00 63.34 H new ATOM 0 HZ3 LYS A 35 -12.571 13.210 7.412 1.00 63.34 H new ATOM 579 N GLN A 36 -12.760 6.206 8.942 1.00 1.24 N ATOM 580 CA GLN A 36 -13.460 4.922 9.144 1.00 5.24 C ATOM 581 C GLN A 36 -12.892 4.164 10.352 1.00 41.44 C ATOM 582 O GLN A 36 -13.627 3.493 11.083 1.00 0.21 O ATOM 583 CB GLN A 36 -13.352 4.072 7.844 1.00 33.14 C ATOM 584 CG GLN A 36 -13.882 4.780 6.568 1.00 51.51 C ATOM 585 CD GLN A 36 -15.411 4.975 6.504 1.00 33.23 C ATOM 586 OE1 GLN A 36 -16.103 5.048 7.517 1.00 61.15 O ATOM 587 NE2 GLN A 36 -15.941 5.118 5.299 1.00 12.10 N ATOM 0 H GLN A 36 -12.096 6.190 8.168 1.00 1.24 H new ATOM 0 HA GLN A 36 -14.511 5.118 9.357 1.00 5.24 H new ATOM 0 HB2 GLN A 36 -12.308 3.801 7.687 1.00 33.14 H new ATOM 0 HB3 GLN A 36 -13.904 3.143 7.985 1.00 33.14 H new ATOM 0 HG2 GLN A 36 -13.405 5.757 6.491 1.00 51.51 H new ATOM 0 HG3 GLN A 36 -13.570 4.203 5.697 1.00 51.51 H new ATOM 0 HE21 GLN A 36 -15.349 5.054 4.471 1.00 12.10 H new ATOM 0 HE22 GLN A 36 -16.941 5.292 5.199 1.00 12.10 H new ATOM 596 N TYR A 37 -11.576 4.299 10.549 1.00 62.42 N ATOM 597 CA TYR A 37 -10.815 3.638 11.626 1.00 11.33 C ATOM 598 C TYR A 37 -9.984 4.727 12.367 1.00 14.03 C ATOM 599 O TYR A 37 -8.792 4.911 12.080 1.00 44.30 O ATOM 600 CB TYR A 37 -9.874 2.534 11.033 1.00 62.50 C ATOM 601 CG TYR A 37 -10.498 1.615 9.958 1.00 14.25 C ATOM 602 CD1 TYR A 37 -11.177 0.444 10.300 1.00 71.04 C ATOM 603 CD2 TYR A 37 -10.413 1.936 8.597 1.00 13.31 C ATOM 604 CE1 TYR A 37 -11.728 -0.375 9.330 1.00 72.30 C ATOM 605 CE2 TYR A 37 -10.964 1.118 7.626 1.00 23.23 C ATOM 606 CZ TYR A 37 -11.629 -0.028 7.999 1.00 20.14 C ATOM 607 OH TYR A 37 -12.189 -0.836 7.040 1.00 55.41 O ATOM 0 H TYR A 37 -10.992 4.884 9.952 1.00 62.42 H new ATOM 0 HA TYR A 37 -11.496 3.150 12.323 1.00 11.33 H new ATOM 0 HB2 TYR A 37 -9.001 3.023 10.601 1.00 62.50 H new ATOM 0 HB3 TYR A 37 -9.518 1.910 11.853 1.00 62.50 H new ATOM 0 HD1 TYR A 37 -11.274 0.172 11.341 1.00 71.04 H new ATOM 0 HD2 TYR A 37 -9.906 2.842 8.299 1.00 13.31 H new ATOM 0 HE1 TYR A 37 -12.235 -1.285 9.615 1.00 72.30 H new ATOM 0 HE2 TYR A 37 -10.873 1.377 6.582 1.00 23.23 H new ATOM 0 HH TYR A 37 -12.459 -0.292 6.271 1.00 55.41 H new ATOM 617 N PRO A 38 -10.612 5.501 13.311 1.00 33.14 N ATOM 618 CA PRO A 38 -9.976 6.705 13.928 1.00 13.34 C ATOM 619 C PRO A 38 -8.699 6.411 14.745 1.00 1.21 C ATOM 620 O PRO A 38 -7.820 7.269 14.853 1.00 53.30 O ATOM 621 CB PRO A 38 -11.096 7.275 14.834 1.00 4.40 C ATOM 622 CG PRO A 38 -12.008 6.116 15.102 1.00 63.52 C ATOM 623 CD PRO A 38 -11.987 5.284 13.843 1.00 41.24 C ATOM 0 HA PRO A 38 -9.624 7.393 13.160 1.00 13.34 H new ATOM 0 HB2 PRO A 38 -10.687 7.677 15.761 1.00 4.40 H new ATOM 0 HB3 PRO A 38 -11.627 8.089 14.340 1.00 4.40 H new ATOM 0 HG2 PRO A 38 -11.665 5.538 15.960 1.00 63.52 H new ATOM 0 HG3 PRO A 38 -13.018 6.456 15.330 1.00 63.52 H new ATOM 0 HD2 PRO A 38 -12.175 4.231 14.053 1.00 41.24 H new ATOM 0 HD3 PRO A 38 -12.748 5.608 13.134 1.00 41.24 H new ATOM 631 N ASN A 39 -8.614 5.208 15.331 1.00 11.25 N ATOM 632 CA ASN A 39 -7.469 4.822 16.197 1.00 41.20 C ATOM 633 C ASN A 39 -6.463 3.916 15.465 1.00 51.33 C ATOM 634 O ASN A 39 -5.387 3.643 16.004 1.00 55.01 O ATOM 635 CB ASN A 39 -7.980 4.130 17.490 1.00 32.54 C ATOM 636 CG ASN A 39 -8.753 5.077 18.418 1.00 50.42 C ATOM 637 OD1 ASN A 39 -8.181 5.678 19.327 1.00 55.13 O ATOM 638 ND2 ASN A 39 -10.048 5.235 18.176 1.00 21.03 N ATOM 0 H ASN A 39 -9.320 4.479 15.227 1.00 11.25 H new ATOM 0 HA ASN A 39 -6.942 5.738 16.464 1.00 41.20 H new ATOM 0 HB2 ASN A 39 -8.624 3.294 17.217 1.00 32.54 H new ATOM 0 HB3 ASN A 39 -7.130 3.714 18.032 1.00 32.54 H new ATOM 0 HD21 ASN A 39 -10.601 5.870 18.752 1.00 21.03 H new ATOM 0 HD22 ASN A 39 -10.491 4.721 17.414 1.00 21.03 H new ATOM 645 N ALA A 40 -6.800 3.466 14.242 1.00 1.41 N ATOM 646 CA ALA A 40 -5.935 2.555 13.463 1.00 55.13 C ATOM 647 C ALA A 40 -4.862 3.349 12.691 1.00 74.21 C ATOM 648 O ALA A 40 -5.194 4.218 11.870 1.00 51.21 O ATOM 649 CB ALA A 40 -6.770 1.695 12.511 1.00 51.51 C ATOM 0 H ALA A 40 -7.668 3.719 13.769 1.00 1.41 H new ATOM 0 HA ALA A 40 -5.426 1.889 14.160 1.00 55.13 H new ATOM 0 HB1 ALA A 40 -6.113 1.032 11.948 1.00 51.51 H new ATOM 0 HB2 ALA A 40 -7.479 1.100 13.086 1.00 51.51 H new ATOM 0 HB3 ALA A 40 -7.313 2.340 11.820 1.00 51.51 H new ATOM 655 N THR A 41 -3.582 3.043 12.962 1.00 50.14 N ATOM 656 CA THR A 41 -2.434 3.798 12.435 1.00 34.44 C ATOM 657 C THR A 41 -1.752 3.038 11.282 1.00 13.11 C ATOM 658 O THR A 41 -1.492 1.837 11.395 1.00 11.31 O ATOM 659 CB THR A 41 -1.400 4.056 13.582 1.00 44.13 C ATOM 660 OG1 THR A 41 -2.057 4.690 14.691 1.00 1.23 O ATOM 661 CG2 THR A 41 -0.220 4.931 13.135 1.00 22.31 C ATOM 0 H THR A 41 -3.314 2.259 13.557 1.00 50.14 H new ATOM 0 HA THR A 41 -2.799 4.749 12.048 1.00 34.44 H new ATOM 0 HB THR A 41 -0.999 3.084 13.871 1.00 44.13 H new ATOM 0 HG1 THR A 41 -1.408 4.849 15.408 1.00 1.23 H new ATOM 0 HG21 THR A 41 0.463 5.075 13.972 1.00 22.31 H new ATOM 0 HG22 THR A 41 0.307 4.441 12.317 1.00 22.31 H new ATOM 0 HG23 THR A 41 -0.592 5.899 12.799 1.00 22.31 H new ATOM 669 N ILE A 42 -1.481 3.749 10.175 1.00 24.22 N ATOM 670 CA ILE A 42 -0.689 3.233 9.046 1.00 21.41 C ATOM 671 C ILE A 42 0.739 3.816 9.131 1.00 13.13 C ATOM 672 O ILE A 42 0.921 4.987 9.497 1.00 3.10 O ATOM 673 CB ILE A 42 -1.338 3.607 7.653 1.00 71.15 C ATOM 674 CG1 ILE A 42 -2.830 3.151 7.595 1.00 34.03 C ATOM 675 CG2 ILE A 42 -0.538 2.991 6.468 1.00 41.43 C ATOM 676 CD1 ILE A 42 -3.539 3.503 6.297 1.00 64.20 C ATOM 0 H ILE A 42 -1.808 4.705 10.037 1.00 24.22 H new ATOM 0 HA ILE A 42 -0.662 2.145 9.113 1.00 21.41 H new ATOM 0 HB ILE A 42 -1.301 4.692 7.556 1.00 71.15 H new ATOM 0 HG12 ILE A 42 -2.874 2.071 7.739 1.00 34.03 H new ATOM 0 HG13 ILE A 42 -3.370 3.606 8.426 1.00 34.03 H new ATOM 0 HG21 ILE A 42 -1.012 3.268 5.526 1.00 41.43 H new ATOM 0 HG22 ILE A 42 0.485 3.368 6.484 1.00 41.43 H new ATOM 0 HG23 ILE A 42 -0.526 1.905 6.563 1.00 41.43 H new ATOM 0 HD11 ILE A 42 -4.570 3.151 6.339 1.00 64.20 H new ATOM 0 HD12 ILE A 42 -3.530 4.584 6.159 1.00 64.20 H new ATOM 0 HD13 ILE A 42 -3.026 3.026 5.462 1.00 64.20 H new ATOM 688 N THR A 43 1.738 2.991 8.799 1.00 31.52 N ATOM 689 CA THR A 43 3.139 3.392 8.682 1.00 1.31 C ATOM 690 C THR A 43 3.675 2.854 7.342 1.00 30.34 C ATOM 691 O THR A 43 3.844 1.636 7.170 1.00 11.40 O ATOM 692 CB THR A 43 3.971 2.860 9.899 1.00 44.35 C ATOM 693 OG1 THR A 43 3.452 3.413 11.117 1.00 4.21 O ATOM 694 CG2 THR A 43 5.464 3.197 9.793 1.00 2.32 C ATOM 0 H THR A 43 1.588 2.002 8.600 1.00 31.52 H new ATOM 0 HA THR A 43 3.229 4.478 8.697 1.00 1.31 H new ATOM 0 HB THR A 43 3.878 1.774 9.895 1.00 44.35 H new ATOM 0 HG1 THR A 43 3.973 3.078 11.876 1.00 4.21 H new ATOM 0 HG21 THR A 43 5.989 2.803 10.664 1.00 2.32 H new ATOM 0 HG22 THR A 43 5.875 2.749 8.888 1.00 2.32 H new ATOM 0 HG23 THR A 43 5.591 4.279 9.752 1.00 2.32 H new ATOM 702 N ARG A 44 3.874 3.772 6.383 1.00 21.15 N ATOM 703 CA ARG A 44 4.328 3.451 5.019 1.00 71.03 C ATOM 704 C ARG A 44 5.799 3.887 4.840 1.00 4.21 C ATOM 705 O ARG A 44 6.198 4.982 5.283 1.00 74.03 O ATOM 706 CB ARG A 44 3.396 4.132 3.967 1.00 42.23 C ATOM 707 CG ARG A 44 3.411 5.685 3.977 1.00 5.51 C ATOM 708 CD ARG A 44 2.324 6.329 3.088 1.00 31.21 C ATOM 709 NE ARG A 44 2.486 7.796 2.980 1.00 63.41 N ATOM 710 CZ ARG A 44 1.568 8.727 3.323 1.00 5.44 C ATOM 711 NH1 ARG A 44 0.385 8.383 3.829 1.00 1.43 N ATOM 712 NH2 ARG A 44 1.853 10.013 3.154 1.00 12.54 N ATOM 0 H ARG A 44 3.723 4.769 6.534 1.00 21.15 H new ATOM 0 HA ARG A 44 4.274 2.374 4.862 1.00 71.03 H new ATOM 0 HB2 ARG A 44 3.684 3.788 2.974 1.00 42.23 H new ATOM 0 HB3 ARG A 44 2.374 3.793 4.138 1.00 42.23 H new ATOM 0 HG2 ARG A 44 3.281 6.033 5.002 1.00 5.51 H new ATOM 0 HG3 ARG A 44 4.390 6.031 3.645 1.00 5.51 H new ATOM 0 HD2 ARG A 44 2.362 5.887 2.092 1.00 31.21 H new ATOM 0 HD3 ARG A 44 1.340 6.103 3.499 1.00 31.21 H new ATOM 0 HE ARG A 44 3.374 8.137 2.612 1.00 63.41 H new ATOM 0 HH11 ARG A 44 0.155 7.399 3.965 1.00 1.43 H new ATOM 0 HH12 ARG A 44 -0.291 9.104 4.080 1.00 1.43 H new ATOM 0 HH21 ARG A 44 2.756 10.289 2.769 1.00 12.54 H new ATOM 0 HH22 ARG A 44 1.168 10.725 3.409 1.00 12.54 H new ATOM 726 N THR A 45 6.607 3.003 4.236 1.00 53.23 N ATOM 727 CA THR A 45 8.014 3.278 3.891 1.00 21.14 C ATOM 728 C THR A 45 8.375 2.503 2.616 1.00 61.24 C ATOM 729 O THR A 45 8.240 1.284 2.578 1.00 70.52 O ATOM 730 CB THR A 45 8.984 2.882 5.063 1.00 50.11 C ATOM 731 OG1 THR A 45 8.654 3.639 6.246 1.00 12.44 O ATOM 732 CG2 THR A 45 10.470 3.119 4.708 1.00 55.11 C ATOM 0 H THR A 45 6.301 2.067 3.970 1.00 53.23 H new ATOM 0 HA THR A 45 8.130 4.349 3.722 1.00 21.14 H new ATOM 0 HB THR A 45 8.852 1.815 5.241 1.00 50.11 H new ATOM 0 HG1 THR A 45 9.260 3.388 6.974 1.00 12.44 H new ATOM 0 HG21 THR A 45 11.096 2.829 5.552 1.00 55.11 H new ATOM 0 HG22 THR A 45 10.736 2.521 3.836 1.00 55.11 H new ATOM 0 HG23 THR A 45 10.627 4.174 4.485 1.00 55.11 H new ATOM 740 N LEU A 46 8.787 3.217 1.559 1.00 51.11 N ATOM 741 CA LEU A 46 9.163 2.606 0.273 1.00 31.04 C ATOM 742 C LEU A 46 10.650 2.854 -0.006 1.00 4.23 C ATOM 743 O LEU A 46 11.160 3.950 0.243 1.00 51.23 O ATOM 744 CB LEU A 46 8.288 3.143 -0.890 1.00 50.23 C ATOM 745 CG LEU A 46 6.759 2.781 -0.843 1.00 51.52 C ATOM 746 CD1 LEU A 46 5.981 3.616 0.202 1.00 33.33 C ATOM 747 CD2 LEU A 46 6.116 2.894 -2.241 1.00 54.02 C ATOM 0 H LEU A 46 8.869 4.234 1.570 1.00 51.11 H new ATOM 0 HA LEU A 46 8.988 1.532 0.341 1.00 31.04 H new ATOM 0 HB2 LEU A 46 8.381 4.229 -0.913 1.00 50.23 H new ATOM 0 HB3 LEU A 46 8.699 2.768 -1.827 1.00 50.23 H new ATOM 0 HG LEU A 46 6.693 1.742 -0.522 1.00 51.52 H new ATOM 0 HD11 LEU A 46 4.931 3.325 0.192 1.00 33.33 H new ATOM 0 HD12 LEU A 46 6.397 3.437 1.193 1.00 33.33 H new ATOM 0 HD13 LEU A 46 6.066 4.675 -0.042 1.00 33.33 H new ATOM 0 HD21 LEU A 46 5.059 2.638 -2.177 1.00 54.02 H new ATOM 0 HD22 LEU A 46 6.220 3.915 -2.608 1.00 54.02 H new ATOM 0 HD23 LEU A 46 6.614 2.209 -2.927 1.00 54.02 H new ATOM 759 N THR A 47 11.330 1.826 -0.521 1.00 31.52 N ATOM 760 CA THR A 47 12.773 1.857 -0.825 1.00 43.32 C ATOM 761 C THR A 47 13.034 1.066 -2.109 1.00 11.13 C ATOM 762 O THR A 47 12.462 0.004 -2.280 1.00 10.53 O ATOM 763 CB THR A 47 13.602 1.227 0.361 1.00 1.10 C ATOM 764 OG1 THR A 47 13.327 1.933 1.585 1.00 13.33 O ATOM 765 CG2 THR A 47 15.122 1.238 0.102 1.00 4.10 C ATOM 0 H THR A 47 10.891 0.932 -0.744 1.00 31.52 H new ATOM 0 HA THR A 47 13.085 2.893 -0.956 1.00 43.32 H new ATOM 0 HB THR A 47 13.289 0.186 0.441 1.00 1.10 H new ATOM 0 HG1 THR A 47 13.844 1.534 2.316 1.00 13.33 H new ATOM 0 HG21 THR A 47 15.639 0.792 0.952 1.00 4.10 H new ATOM 0 HG22 THR A 47 15.342 0.664 -0.798 1.00 4.10 H new ATOM 0 HG23 THR A 47 15.461 2.265 -0.031 1.00 4.10 H new ATOM 773 N ARG A 48 13.924 1.554 -2.991 1.00 0.41 N ATOM 774 CA ARG A 48 14.280 0.824 -4.220 1.00 61.44 C ATOM 775 C ARG A 48 15.364 -0.197 -3.860 1.00 72.01 C ATOM 776 O ARG A 48 16.536 0.160 -3.699 1.00 40.03 O ATOM 777 CB ARG A 48 14.775 1.765 -5.374 1.00 34.40 C ATOM 778 CG ARG A 48 13.807 2.905 -5.785 1.00 53.50 C ATOM 779 CD ARG A 48 13.868 4.116 -4.841 1.00 45.53 C ATOM 780 NE ARG A 48 12.900 5.159 -5.203 1.00 72.11 N ATOM 781 CZ ARG A 48 13.177 6.283 -5.878 1.00 53.14 C ATOM 782 NH1 ARG A 48 14.407 6.535 -6.303 1.00 53.34 N ATOM 783 NH2 ARG A 48 12.220 7.176 -6.073 1.00 73.42 N ATOM 0 H ARG A 48 14.407 2.445 -2.877 1.00 0.41 H new ATOM 0 HA ARG A 48 13.385 0.333 -4.602 1.00 61.44 H new ATOM 0 HB2 ARG A 48 15.722 2.211 -5.071 1.00 34.40 H new ATOM 0 HB3 ARG A 48 14.978 1.153 -6.253 1.00 34.40 H new ATOM 0 HG2 ARG A 48 14.046 3.229 -6.798 1.00 53.50 H new ATOM 0 HG3 ARG A 48 12.788 2.519 -5.806 1.00 53.50 H new ATOM 0 HD2 ARG A 48 13.678 3.787 -3.820 1.00 45.53 H new ATOM 0 HD3 ARG A 48 14.874 4.536 -4.858 1.00 45.53 H new ATOM 0 HE ARG A 48 11.932 5.015 -4.916 1.00 72.11 H new ATOM 0 HH11 ARG A 48 15.157 5.869 -6.117 1.00 53.34 H new ATOM 0 HH12 ARG A 48 14.603 7.395 -6.816 1.00 53.34 H new ATOM 0 HH21 ARG A 48 11.282 7.006 -5.711 1.00 73.42 H new ATOM 0 HH22 ARG A 48 12.421 8.035 -6.585 1.00 73.42 H new ATOM 797 N ASP A 49 14.937 -1.454 -3.680 1.00 41.23 N ATOM 798 CA ASP A 49 15.818 -2.579 -3.330 1.00 63.31 C ATOM 799 C ASP A 49 16.619 -3.007 -4.572 1.00 74.45 C ATOM 800 O ASP A 49 16.209 -3.923 -5.308 1.00 71.21 O ATOM 801 CB ASP A 49 14.973 -3.764 -2.779 1.00 4.40 C ATOM 802 CG ASP A 49 15.825 -4.879 -2.143 1.00 51.44 C ATOM 803 OD1 ASP A 49 16.117 -4.795 -0.934 1.00 1.30 O ATOM 804 OD2 ASP A 49 16.201 -5.841 -2.840 1.00 50.34 O ATOM 0 H ASP A 49 13.958 -1.723 -3.774 1.00 41.23 H new ATOM 0 HA ASP A 49 16.517 -2.270 -2.553 1.00 63.31 H new ATOM 0 HB2 ASP A 49 14.271 -3.385 -2.037 1.00 4.40 H new ATOM 0 HB3 ASP A 49 14.381 -4.187 -3.591 1.00 4.40 H new ATOM 809 N ASP A 50 17.693 -2.230 -4.849 1.00 60.54 N ATOM 810 CA ASP A 50 18.610 -2.396 -6.003 1.00 32.30 C ATOM 811 C ASP A 50 17.981 -1.943 -7.353 1.00 61.23 C ATOM 812 O ASP A 50 18.695 -1.457 -8.233 1.00 3.32 O ATOM 813 CB ASP A 50 19.171 -3.841 -6.099 1.00 74.40 C ATOM 814 CG ASP A 50 20.211 -4.011 -7.221 1.00 4.14 C ATOM 815 OD1 ASP A 50 21.365 -3.567 -7.042 1.00 53.54 O ATOM 816 OD2 ASP A 50 19.873 -4.563 -8.291 1.00 70.40 O ATOM 0 H ASP A 50 17.954 -1.443 -4.255 1.00 60.54 H new ATOM 0 HA ASP A 50 19.449 -1.727 -5.811 1.00 32.30 H new ATOM 0 HB2 ASP A 50 19.626 -4.112 -5.146 1.00 74.40 H new ATOM 0 HB3 ASP A 50 18.347 -4.534 -6.268 1.00 74.40 H new ATOM 821 N GLY A 51 16.657 -2.086 -7.498 1.00 33.51 N ATOM 822 CA GLY A 51 15.956 -1.736 -8.736 1.00 55.02 C ATOM 823 C GLY A 51 14.459 -1.999 -8.661 1.00 3.42 C ATOM 824 O GLY A 51 13.701 -1.468 -9.469 1.00 70.24 O ATOM 0 H GLY A 51 16.047 -2.445 -6.764 1.00 33.51 H new ATOM 0 HA2 GLY A 51 16.124 -0.682 -8.958 1.00 55.02 H new ATOM 0 HA3 GLY A 51 16.380 -2.307 -9.562 1.00 55.02 H new ATOM 828 N THR A 52 14.039 -2.850 -7.711 1.00 12.54 N ATOM 829 CA THR A 52 12.626 -3.158 -7.448 1.00 3.33 C ATOM 830 C THR A 52 12.214 -2.511 -6.115 1.00 43.12 C ATOM 831 O THR A 52 12.918 -2.676 -5.124 1.00 33.01 O ATOM 832 CB THR A 52 12.431 -4.711 -7.388 1.00 30.00 C ATOM 833 OG1 THR A 52 13.046 -5.316 -8.536 1.00 11.14 O ATOM 834 CG2 THR A 52 10.947 -5.113 -7.348 1.00 50.25 C ATOM 0 H THR A 52 14.681 -3.350 -7.096 1.00 12.54 H new ATOM 0 HA THR A 52 12.000 -2.761 -8.247 1.00 3.33 H new ATOM 0 HB THR A 52 12.898 -5.061 -6.468 1.00 30.00 H new ATOM 0 HG1 THR A 52 12.926 -6.288 -8.498 1.00 11.14 H new ATOM 0 HG21 THR A 52 10.865 -6.199 -7.307 1.00 50.25 H new ATOM 0 HG22 THR A 52 10.476 -4.680 -6.465 1.00 50.25 H new ATOM 0 HG23 THR A 52 10.446 -4.745 -8.243 1.00 50.25 H new ATOM 842 N VAL A 53 11.068 -1.802 -6.085 1.00 64.34 N ATOM 843 CA VAL A 53 10.633 -1.044 -4.893 1.00 35.23 C ATOM 844 C VAL A 53 9.945 -1.972 -3.888 1.00 13.35 C ATOM 845 O VAL A 53 9.040 -2.717 -4.242 1.00 30.45 O ATOM 846 CB VAL A 53 9.666 0.151 -5.261 1.00 13.13 C ATOM 847 CG1 VAL A 53 9.164 0.899 -3.996 1.00 51.33 C ATOM 848 CG2 VAL A 53 10.368 1.124 -6.224 1.00 61.43 C ATOM 0 H VAL A 53 10.425 -1.738 -6.874 1.00 64.34 H new ATOM 0 HA VAL A 53 11.531 -0.619 -4.445 1.00 35.23 H new ATOM 0 HB VAL A 53 8.791 -0.270 -5.756 1.00 13.13 H new ATOM 0 HG11 VAL A 53 8.502 1.713 -4.293 1.00 51.33 H new ATOM 0 HG12 VAL A 53 8.621 0.205 -3.355 1.00 51.33 H new ATOM 0 HG13 VAL A 53 10.016 1.305 -3.451 1.00 51.33 H new ATOM 0 HG21 VAL A 53 9.692 1.943 -6.470 1.00 61.43 H new ATOM 0 HG22 VAL A 53 11.264 1.523 -5.749 1.00 61.43 H new ATOM 0 HG23 VAL A 53 10.646 0.596 -7.136 1.00 61.43 H new ATOM 858 N GLU A 54 10.404 -1.910 -2.640 1.00 53.02 N ATOM 859 CA GLU A 54 9.822 -2.623 -1.519 1.00 31.13 C ATOM 860 C GLU A 54 8.871 -1.672 -0.779 1.00 64.25 C ATOM 861 O GLU A 54 9.292 -0.607 -0.299 1.00 74.34 O ATOM 862 CB GLU A 54 10.945 -3.121 -0.577 1.00 14.31 C ATOM 863 CG GLU A 54 10.449 -3.997 0.591 1.00 3.23 C ATOM 864 CD GLU A 54 11.578 -4.602 1.442 1.00 70.20 C ATOM 865 OE1 GLU A 54 12.569 -5.102 0.863 1.00 10.44 O ATOM 866 OE2 GLU A 54 11.473 -4.611 2.688 1.00 4.35 O ATOM 0 H GLU A 54 11.213 -1.346 -2.380 1.00 53.02 H new ATOM 0 HA GLU A 54 9.264 -3.492 -1.869 1.00 31.13 H new ATOM 0 HB2 GLU A 54 11.668 -3.690 -1.161 1.00 14.31 H new ATOM 0 HB3 GLU A 54 11.472 -2.258 -0.171 1.00 14.31 H new ATOM 0 HG2 GLU A 54 9.805 -3.397 1.234 1.00 3.23 H new ATOM 0 HG3 GLU A 54 9.836 -4.805 0.191 1.00 3.23 H new ATOM 873 N LEU A 55 7.598 -2.053 -0.738 1.00 64.30 N ATOM 874 CA LEU A 55 6.549 -1.330 -0.018 1.00 4.02 C ATOM 875 C LEU A 55 6.386 -1.943 1.378 1.00 75.32 C ATOM 876 O LEU A 55 6.149 -3.145 1.519 1.00 34.43 O ATOM 877 CB LEU A 55 5.217 -1.412 -0.814 1.00 64.12 C ATOM 878 CG LEU A 55 3.927 -0.881 -0.105 1.00 42.21 C ATOM 879 CD1 LEU A 55 4.046 0.601 0.275 1.00 4.12 C ATOM 880 CD2 LEU A 55 2.671 -1.140 -0.971 1.00 73.10 C ATOM 0 H LEU A 55 7.258 -2.889 -1.213 1.00 64.30 H new ATOM 0 HA LEU A 55 6.823 -0.280 0.086 1.00 4.02 H new ATOM 0 HB2 LEU A 55 5.344 -0.857 -1.744 1.00 64.12 H new ATOM 0 HB3 LEU A 55 5.049 -2.454 -1.085 1.00 64.12 H new ATOM 0 HG LEU A 55 3.817 -1.439 0.825 1.00 42.21 H new ATOM 0 HD11 LEU A 55 3.128 0.926 0.764 1.00 4.12 H new ATOM 0 HD12 LEU A 55 4.887 0.736 0.955 1.00 4.12 H new ATOM 0 HD13 LEU A 55 4.208 1.195 -0.624 1.00 4.12 H new ATOM 0 HD21 LEU A 55 1.789 -0.761 -0.455 1.00 73.10 H new ATOM 0 HD22 LEU A 55 2.778 -0.630 -1.929 1.00 73.10 H new ATOM 0 HD23 LEU A 55 2.560 -2.211 -1.140 1.00 73.10 H new ATOM 892 N ARG A 56 6.525 -1.110 2.408 1.00 44.45 N ATOM 893 CA ARG A 56 6.339 -1.518 3.807 1.00 2.33 C ATOM 894 C ARG A 56 5.012 -0.946 4.314 1.00 33.22 C ATOM 895 O ARG A 56 4.904 0.262 4.538 1.00 73.11 O ATOM 896 CB ARG A 56 7.530 -1.012 4.670 1.00 24.30 C ATOM 897 CG ARG A 56 8.916 -1.543 4.232 1.00 3.34 C ATOM 898 CD ARG A 56 9.012 -3.073 4.265 1.00 42.15 C ATOM 899 NE ARG A 56 8.800 -3.617 5.622 1.00 55.21 N ATOM 900 CZ ARG A 56 9.398 -4.714 6.123 1.00 64.32 C ATOM 901 NH1 ARG A 56 10.263 -5.422 5.386 1.00 72.31 N ATOM 902 NH2 ARG A 56 9.126 -5.097 7.366 1.00 65.12 N ATOM 0 H ARG A 56 6.771 -0.126 2.299 1.00 44.45 H new ATOM 0 HA ARG A 56 6.310 -2.605 3.881 1.00 2.33 H new ATOM 0 HB2 ARG A 56 7.547 0.077 4.639 1.00 24.30 H new ATOM 0 HB3 ARG A 56 7.357 -1.299 5.707 1.00 24.30 H new ATOM 0 HG2 ARG A 56 9.130 -1.193 3.222 1.00 3.34 H new ATOM 0 HG3 ARG A 56 9.682 -1.123 4.884 1.00 3.34 H new ATOM 0 HD2 ARG A 56 8.272 -3.496 3.586 1.00 42.15 H new ATOM 0 HD3 ARG A 56 9.992 -3.382 3.901 1.00 42.15 H new ATOM 0 HE ARG A 56 8.147 -3.121 6.229 1.00 55.21 H new ATOM 0 HH11 ARG A 56 10.476 -5.132 4.432 1.00 72.31 H new ATOM 0 HH12 ARG A 56 10.709 -6.251 5.779 1.00 72.31 H new ATOM 0 HH21 ARG A 56 8.469 -4.561 7.932 1.00 65.12 H new ATOM 0 HH22 ARG A 56 9.575 -5.927 7.754 1.00 65.12 H new ATOM 916 N ILE A 57 3.988 -1.812 4.421 1.00 3.12 N ATOM 917 CA ILE A 57 2.690 -1.448 5.007 1.00 73.15 C ATOM 918 C ILE A 57 2.608 -2.028 6.421 1.00 41.33 C ATOM 919 O ILE A 57 2.529 -3.242 6.600 1.00 2.25 O ATOM 920 CB ILE A 57 1.486 -1.965 4.120 1.00 14.14 C ATOM 921 CG1 ILE A 57 1.473 -1.255 2.735 1.00 11.12 C ATOM 922 CG2 ILE A 57 0.120 -1.791 4.829 1.00 3.40 C ATOM 923 CD1 ILE A 57 1.323 0.261 2.806 1.00 52.23 C ATOM 0 H ILE A 57 4.039 -2.780 4.104 1.00 3.12 H new ATOM 0 HA ILE A 57 2.612 -0.362 5.047 1.00 73.15 H new ATOM 0 HB ILE A 57 1.640 -3.033 3.967 1.00 14.14 H new ATOM 0 HG12 ILE A 57 2.398 -1.492 2.210 1.00 11.12 H new ATOM 0 HG13 ILE A 57 0.655 -1.661 2.140 1.00 11.12 H new ATOM 0 HG21 ILE A 57 -0.676 -2.160 4.182 1.00 3.40 H new ATOM 0 HG22 ILE A 57 0.120 -2.355 5.762 1.00 3.40 H new ATOM 0 HG23 ILE A 57 -0.047 -0.735 5.043 1.00 3.40 H new ATOM 0 HD11 ILE A 57 1.324 0.674 1.797 1.00 52.23 H new ATOM 0 HD12 ILE A 57 0.384 0.511 3.300 1.00 52.23 H new ATOM 0 HD13 ILE A 57 2.154 0.683 3.371 1.00 52.23 H new ATOM 935 N LYS A 58 2.651 -1.145 7.413 1.00 51.30 N ATOM 936 CA LYS A 58 2.518 -1.502 8.826 1.00 41.04 C ATOM 937 C LYS A 58 1.210 -0.897 9.339 1.00 4.32 C ATOM 938 O LYS A 58 1.119 0.314 9.528 1.00 24.21 O ATOM 939 CB LYS A 58 3.756 -0.965 9.600 1.00 44.11 C ATOM 940 CG LYS A 58 3.698 -1.123 11.136 1.00 70.03 C ATOM 941 CD LYS A 58 4.967 -0.575 11.843 1.00 71.50 C ATOM 942 CE LYS A 58 4.893 -0.728 13.372 1.00 54.43 C ATOM 943 NZ LYS A 58 6.106 -0.213 14.065 1.00 31.33 N ATOM 0 H LYS A 58 2.781 -0.145 7.258 1.00 51.30 H new ATOM 0 HA LYS A 58 2.483 -2.582 8.971 1.00 41.04 H new ATOM 0 HB2 LYS A 58 4.644 -1.479 9.232 1.00 44.11 H new ATOM 0 HB3 LYS A 58 3.879 0.092 9.365 1.00 44.11 H new ATOM 0 HG2 LYS A 58 2.820 -0.601 11.518 1.00 70.03 H new ATOM 0 HG3 LYS A 58 3.575 -2.177 11.384 1.00 70.03 H new ATOM 0 HD2 LYS A 58 5.845 -1.102 11.469 1.00 71.50 H new ATOM 0 HD3 LYS A 58 5.095 0.478 11.591 1.00 71.50 H new ATOM 0 HE2 LYS A 58 4.016 -0.198 13.743 1.00 54.43 H new ATOM 0 HE3 LYS A 58 4.758 -1.781 13.621 1.00 54.43 H new ATOM 0 HZ1 LYS A 58 6.000 -0.342 15.092 1.00 31.33 H new ATOM 0 HZ2 LYS A 58 6.943 -0.735 13.735 1.00 31.33 H new ATOM 0 HZ3 LYS A 58 6.224 0.798 13.853 1.00 31.33 H new ATOM 957 N VAL A 59 0.185 -1.735 9.505 1.00 2.52 N ATOM 958 CA VAL A 59 -1.121 -1.308 10.030 1.00 25.25 C ATOM 959 C VAL A 59 -1.252 -1.779 11.484 1.00 54.01 C ATOM 960 O VAL A 59 -0.867 -2.901 11.811 1.00 24.32 O ATOM 961 CB VAL A 59 -2.321 -1.852 9.155 1.00 75.04 C ATOM 962 CG1 VAL A 59 -3.682 -1.393 9.719 1.00 54.40 C ATOM 963 CG2 VAL A 59 -2.159 -1.419 7.680 1.00 1.35 C ATOM 0 H VAL A 59 0.233 -2.729 9.281 1.00 2.52 H new ATOM 0 HA VAL A 59 -1.172 -0.220 9.986 1.00 25.25 H new ATOM 0 HB VAL A 59 -2.299 -2.941 9.197 1.00 75.04 H new ATOM 0 HG11 VAL A 59 -4.485 -1.784 9.094 1.00 54.40 H new ATOM 0 HG12 VAL A 59 -3.799 -1.766 10.736 1.00 54.40 H new ATOM 0 HG13 VAL A 59 -3.725 -0.304 9.725 1.00 54.40 H new ATOM 0 HG21 VAL A 59 -2.994 -1.803 7.094 1.00 1.35 H new ATOM 0 HG22 VAL A 59 -2.143 -0.331 7.620 1.00 1.35 H new ATOM 0 HG23 VAL A 59 -1.225 -1.818 7.284 1.00 1.35 H new ATOM 973 N LYS A 60 -1.788 -0.911 12.341 1.00 73.22 N ATOM 974 CA LYS A 60 -1.997 -1.193 13.759 1.00 21.21 C ATOM 975 C LYS A 60 -3.494 -1.056 14.055 1.00 1.41 C ATOM 976 O LYS A 60 -4.034 0.052 14.000 1.00 52.53 O ATOM 977 CB LYS A 60 -1.160 -0.208 14.619 1.00 64.42 C ATOM 978 CG LYS A 60 -1.253 -0.441 16.145 1.00 0.12 C ATOM 979 CD LYS A 60 -0.423 0.578 16.973 1.00 21.42 C ATOM 980 CE LYS A 60 -0.832 2.038 16.709 1.00 12.03 C ATOM 981 NZ LYS A 60 -0.089 2.994 17.584 1.00 44.44 N ATOM 0 H LYS A 60 -2.094 0.022 12.065 1.00 73.22 H new ATOM 0 HA LYS A 60 -1.672 -2.204 14.005 1.00 21.21 H new ATOM 0 HB2 LYS A 60 -0.115 -0.281 14.317 1.00 64.42 H new ATOM 0 HB3 LYS A 60 -1.484 0.809 14.400 1.00 64.42 H new ATOM 0 HG2 LYS A 60 -2.297 -0.383 16.452 1.00 0.12 H new ATOM 0 HG3 LYS A 60 -0.909 -1.450 16.373 1.00 0.12 H new ATOM 0 HD2 LYS A 60 -0.542 0.359 18.034 1.00 21.42 H new ATOM 0 HD3 LYS A 60 0.634 0.454 16.738 1.00 21.42 H new ATOM 0 HE2 LYS A 60 -0.645 2.283 15.663 1.00 12.03 H new ATOM 0 HE3 LYS A 60 -1.903 2.150 16.877 1.00 12.03 H new ATOM 0 HZ1 LYS A 60 -0.394 3.966 17.374 1.00 44.44 H new ATOM 0 HZ2 LYS A 60 -0.287 2.777 18.582 1.00 44.44 H new ATOM 0 HZ3 LYS A 60 0.932 2.906 17.406 1.00 44.44 H new ATOM 995 N ALA A 61 -4.152 -2.188 14.335 1.00 62.33 N ATOM 996 CA ALA A 61 -5.594 -2.250 14.638 1.00 41.34 C ATOM 997 C ALA A 61 -5.854 -3.394 15.624 1.00 24.25 C ATOM 998 O ALA A 61 -5.092 -4.351 15.657 1.00 61.41 O ATOM 999 CB ALA A 61 -6.425 -2.443 13.354 1.00 32.31 C ATOM 0 H ALA A 61 -3.695 -3.100 14.359 1.00 62.33 H new ATOM 0 HA ALA A 61 -5.900 -1.305 15.088 1.00 41.34 H new ATOM 0 HB1 ALA A 61 -7.484 -2.485 13.609 1.00 32.31 H new ATOM 0 HB2 ALA A 61 -6.248 -1.608 12.677 1.00 32.31 H new ATOM 0 HB3 ALA A 61 -6.132 -3.373 12.867 1.00 32.31 H new ATOM 1005 N ASP A 62 -6.931 -3.276 16.423 1.00 24.13 N ATOM 1006 CA ASP A 62 -7.342 -4.311 17.404 1.00 15.42 C ATOM 1007 C ASP A 62 -7.743 -5.597 16.679 1.00 55.03 C ATOM 1008 O ASP A 62 -7.309 -6.691 17.034 1.00 45.31 O ATOM 1009 CB ASP A 62 -8.529 -3.789 18.276 1.00 0.41 C ATOM 1010 CG ASP A 62 -9.174 -4.874 19.178 1.00 4.13 C ATOM 1011 OD1 ASP A 62 -8.646 -5.151 20.279 1.00 63.42 O ATOM 1012 OD2 ASP A 62 -10.200 -5.476 18.772 1.00 31.35 O ATOM 0 H ASP A 62 -7.545 -2.461 16.410 1.00 24.13 H new ATOM 0 HA ASP A 62 -6.497 -4.527 18.058 1.00 15.42 H new ATOM 0 HB2 ASP A 62 -8.173 -2.973 18.905 1.00 0.41 H new ATOM 0 HB3 ASP A 62 -9.294 -3.375 17.619 1.00 0.41 H new ATOM 1017 N THR A 63 -8.578 -5.433 15.657 1.00 33.01 N ATOM 1018 CA THR A 63 -9.129 -6.538 14.879 1.00 4.44 C ATOM 1019 C THR A 63 -8.343 -6.694 13.571 1.00 40.34 C ATOM 1020 O THR A 63 -8.251 -5.735 12.783 1.00 31.11 O ATOM 1021 CB THR A 63 -10.630 -6.259 14.591 1.00 41.14 C ATOM 1022 OG1 THR A 63 -11.302 -5.998 15.834 1.00 4.14 O ATOM 1023 CG2 THR A 63 -11.330 -7.430 13.868 1.00 21.05 C ATOM 0 H THR A 63 -8.895 -4.516 15.342 1.00 33.01 H new ATOM 0 HA THR A 63 -9.044 -7.468 15.441 1.00 4.44 H new ATOM 0 HB THR A 63 -10.681 -5.396 13.927 1.00 41.14 H new ATOM 0 HG1 THR A 63 -12.250 -5.819 15.662 1.00 4.14 H new ATOM 0 HG21 THR A 63 -12.376 -7.177 13.694 1.00 21.05 H new ATOM 0 HG22 THR A 63 -10.838 -7.615 12.913 1.00 21.05 H new ATOM 0 HG23 THR A 63 -11.271 -8.326 14.486 1.00 21.05 H new ATOM 1031 N GLU A 64 -7.781 -7.904 13.359 1.00 61.50 N ATOM 1032 CA GLU A 64 -6.986 -8.233 12.159 1.00 31.24 C ATOM 1033 C GLU A 64 -7.815 -8.084 10.874 1.00 54.31 C ATOM 1034 O GLU A 64 -7.270 -7.697 9.850 1.00 24.13 O ATOM 1035 CB GLU A 64 -6.382 -9.658 12.250 1.00 51.15 C ATOM 1036 CG GLU A 64 -7.419 -10.798 12.258 1.00 32.24 C ATOM 1037 CD GLU A 64 -6.778 -12.185 12.170 1.00 74.44 C ATOM 1038 OE1 GLU A 64 -6.225 -12.513 11.096 1.00 60.20 O ATOM 1039 OE2 GLU A 64 -6.833 -12.959 13.153 1.00 62.03 O ATOM 0 H GLU A 64 -7.867 -8.679 14.016 1.00 61.50 H new ATOM 0 HA GLU A 64 -6.165 -7.518 12.117 1.00 31.24 H new ATOM 0 HB2 GLU A 64 -5.706 -9.806 11.408 1.00 51.15 H new ATOM 0 HB3 GLU A 64 -5.781 -9.726 13.157 1.00 51.15 H new ATOM 0 HG2 GLU A 64 -8.014 -10.735 13.169 1.00 32.24 H new ATOM 0 HG3 GLU A 64 -8.104 -10.666 11.420 1.00 32.24 H new ATOM 1046 N GLU A 65 -9.133 -8.365 10.973 1.00 3.11 N ATOM 1047 CA GLU A 65 -10.094 -8.203 9.867 1.00 21.14 C ATOM 1048 C GLU A 65 -10.091 -6.762 9.340 1.00 54.55 C ATOM 1049 O GLU A 65 -9.966 -6.522 8.131 1.00 25.15 O ATOM 1050 CB GLU A 65 -11.523 -8.573 10.339 1.00 14.21 C ATOM 1051 CG GLU A 65 -12.612 -8.331 9.272 1.00 62.32 C ATOM 1052 CD GLU A 65 -14.032 -8.457 9.820 1.00 52.12 C ATOM 1053 OE1 GLU A 65 -14.529 -7.481 10.413 1.00 53.04 O ATOM 1054 OE2 GLU A 65 -14.653 -9.527 9.664 1.00 51.41 O ATOM 0 H GLU A 65 -9.560 -8.713 11.831 1.00 3.11 H new ATOM 0 HA GLU A 65 -9.790 -8.872 9.062 1.00 21.14 H new ATOM 0 HB2 GLU A 65 -11.539 -9.623 10.630 1.00 14.21 H new ATOM 0 HB3 GLU A 65 -11.764 -7.992 11.229 1.00 14.21 H new ATOM 0 HG2 GLU A 65 -12.481 -7.336 8.848 1.00 62.32 H new ATOM 0 HG3 GLU A 65 -12.479 -9.044 8.459 1.00 62.32 H new ATOM 1061 N LYS A 66 -10.210 -5.813 10.274 1.00 52.11 N ATOM 1062 CA LYS A 66 -10.334 -4.386 9.950 1.00 65.11 C ATOM 1063 C LYS A 66 -9.001 -3.841 9.431 1.00 22.20 C ATOM 1064 O LYS A 66 -8.986 -2.962 8.565 1.00 33.13 O ATOM 1065 CB LYS A 66 -10.833 -3.600 11.184 1.00 50.52 C ATOM 1066 CG LYS A 66 -12.158 -4.147 11.769 1.00 54.34 C ATOM 1067 CD LYS A 66 -12.739 -3.255 12.892 1.00 3.41 C ATOM 1068 CE LYS A 66 -13.207 -1.890 12.366 1.00 30.33 C ATOM 1069 NZ LYS A 66 -13.805 -1.043 13.430 1.00 21.51 N ATOM 0 H LYS A 66 -10.223 -6.011 11.275 1.00 52.11 H new ATOM 0 HA LYS A 66 -11.072 -4.261 9.157 1.00 65.11 H new ATOM 0 HB2 LYS A 66 -10.065 -3.627 11.957 1.00 50.52 H new ATOM 0 HB3 LYS A 66 -10.971 -2.555 10.908 1.00 50.52 H new ATOM 0 HG2 LYS A 66 -12.892 -4.237 10.968 1.00 54.34 H new ATOM 0 HG3 LYS A 66 -11.989 -5.150 12.161 1.00 54.34 H new ATOM 0 HD2 LYS A 66 -13.578 -3.768 13.363 1.00 3.41 H new ATOM 0 HD3 LYS A 66 -11.983 -3.106 13.663 1.00 3.41 H new ATOM 0 HE2 LYS A 66 -12.360 -1.366 11.922 1.00 30.33 H new ATOM 0 HE3 LYS A 66 -13.939 -2.042 11.573 1.00 30.33 H new ATOM 0 HZ1 LYS A 66 -14.104 -0.134 13.023 1.00 21.51 H new ATOM 0 HZ2 LYS A 66 -14.630 -1.528 13.837 1.00 21.51 H new ATOM 0 HZ3 LYS A 66 -13.100 -0.873 14.176 1.00 21.51 H new ATOM 1083 N ALA A 67 -7.889 -4.396 9.951 1.00 62.25 N ATOM 1084 CA ALA A 67 -6.540 -4.108 9.455 1.00 63.01 C ATOM 1085 C ALA A 67 -6.354 -4.615 8.006 1.00 21.24 C ATOM 1086 O ALA A 67 -5.731 -3.939 7.186 1.00 50.10 O ATOM 1087 CB ALA A 67 -5.508 -4.735 10.393 1.00 45.44 C ATOM 0 H ALA A 67 -7.907 -5.057 10.728 1.00 62.25 H new ATOM 0 HA ALA A 67 -6.395 -3.028 9.438 1.00 63.01 H new ATOM 0 HB1 ALA A 67 -4.505 -4.521 10.025 1.00 45.44 H new ATOM 0 HB2 ALA A 67 -5.624 -4.317 11.393 1.00 45.44 H new ATOM 0 HB3 ALA A 67 -5.659 -5.814 10.431 1.00 45.44 H new ATOM 1093 N LYS A 68 -6.920 -5.802 7.708 1.00 14.52 N ATOM 1094 CA LYS A 68 -6.880 -6.405 6.355 1.00 63.44 C ATOM 1095 C LYS A 68 -7.714 -5.600 5.351 1.00 63.51 C ATOM 1096 O LYS A 68 -7.383 -5.572 4.167 1.00 14.40 O ATOM 1097 CB LYS A 68 -7.373 -7.882 6.392 1.00 20.11 C ATOM 1098 CG LYS A 68 -6.403 -8.868 7.071 1.00 3.11 C ATOM 1099 CD LYS A 68 -5.058 -9.006 6.327 1.00 62.40 C ATOM 1100 CE LYS A 68 -4.078 -9.927 7.076 1.00 30.21 C ATOM 1101 NZ LYS A 68 -2.820 -10.142 6.309 1.00 75.52 N ATOM 0 H LYS A 68 -7.417 -6.370 8.394 1.00 14.52 H new ATOM 0 HA LYS A 68 -5.841 -6.386 6.025 1.00 63.44 H new ATOM 0 HB2 LYS A 68 -8.330 -7.918 6.913 1.00 20.11 H new ATOM 0 HB3 LYS A 68 -7.553 -8.216 5.370 1.00 20.11 H new ATOM 0 HG2 LYS A 68 -6.214 -8.537 8.092 1.00 3.11 H new ATOM 0 HG3 LYS A 68 -6.877 -9.847 7.136 1.00 3.11 H new ATOM 0 HD2 LYS A 68 -5.236 -9.402 5.327 1.00 62.40 H new ATOM 0 HD3 LYS A 68 -4.608 -8.021 6.205 1.00 62.40 H new ATOM 0 HE2 LYS A 68 -3.841 -9.492 8.047 1.00 30.21 H new ATOM 0 HE3 LYS A 68 -4.556 -10.888 7.266 1.00 30.21 H new ATOM 0 HZ1 LYS A 68 -2.187 -10.767 6.848 1.00 75.52 H new ATOM 0 HZ2 LYS A 68 -3.043 -10.581 5.393 1.00 75.52 H new ATOM 0 HZ3 LYS A 68 -2.350 -9.228 6.150 1.00 75.52 H new ATOM 1115 N SER A 69 -8.792 -4.964 5.840 1.00 54.52 N ATOM 1116 CA SER A 69 -9.638 -4.076 5.024 1.00 12.42 C ATOM 1117 C SER A 69 -8.830 -2.840 4.581 1.00 44.24 C ATOM 1118 O SER A 69 -8.916 -2.411 3.430 1.00 52.41 O ATOM 1119 CB SER A 69 -10.886 -3.653 5.827 1.00 13.02 C ATOM 1120 OG SER A 69 -11.778 -2.869 5.045 1.00 41.32 O ATOM 0 H SER A 69 -9.101 -5.050 6.808 1.00 54.52 H new ATOM 0 HA SER A 69 -9.966 -4.612 4.133 1.00 12.42 H new ATOM 0 HB2 SER A 69 -11.404 -4.542 6.188 1.00 13.02 H new ATOM 0 HB3 SER A 69 -10.578 -3.085 6.705 1.00 13.02 H new ATOM 0 HG SER A 69 -12.047 -2.075 5.553 1.00 41.32 H new ATOM 1126 N ILE A 70 -8.023 -2.309 5.516 1.00 45.10 N ATOM 1127 CA ILE A 70 -7.125 -1.165 5.266 1.00 52.23 C ATOM 1128 C ILE A 70 -6.070 -1.514 4.194 1.00 25.13 C ATOM 1129 O ILE A 70 -5.884 -0.754 3.230 1.00 13.24 O ATOM 1130 CB ILE A 70 -6.423 -0.719 6.602 1.00 63.22 C ATOM 1131 CG1 ILE A 70 -7.490 -0.241 7.638 1.00 40.54 C ATOM 1132 CG2 ILE A 70 -5.365 0.377 6.345 1.00 65.44 C ATOM 1133 CD1 ILE A 70 -6.951 0.006 9.031 1.00 24.20 C ATOM 0 H ILE A 70 -7.974 -2.662 6.472 1.00 45.10 H new ATOM 0 HA ILE A 70 -7.726 -0.336 4.892 1.00 52.23 H new ATOM 0 HB ILE A 70 -5.900 -1.581 7.017 1.00 63.22 H new ATOM 0 HG12 ILE A 70 -7.947 0.678 7.271 1.00 40.54 H new ATOM 0 HG13 ILE A 70 -8.281 -0.989 7.696 1.00 40.54 H new ATOM 0 HG21 ILE A 70 -4.900 0.662 7.289 1.00 65.44 H new ATOM 0 HG22 ILE A 70 -4.603 -0.005 5.665 1.00 65.44 H new ATOM 0 HG23 ILE A 70 -5.845 1.248 5.899 1.00 65.44 H new ATOM 0 HD11 ILE A 70 -7.761 0.334 9.682 1.00 24.20 H new ATOM 0 HD12 ILE A 70 -6.521 -0.916 9.424 1.00 24.20 H new ATOM 0 HD13 ILE A 70 -6.182 0.777 8.992 1.00 24.20 H new ATOM 1145 N ILE A 71 -5.419 -2.682 4.364 1.00 50.54 N ATOM 1146 CA ILE A 71 -4.389 -3.176 3.428 1.00 60.02 C ATOM 1147 C ILE A 71 -5.006 -3.437 2.037 1.00 33.43 C ATOM 1148 O ILE A 71 -4.394 -3.111 1.023 1.00 22.11 O ATOM 1149 CB ILE A 71 -3.700 -4.479 3.983 1.00 60.10 C ATOM 1150 CG1 ILE A 71 -3.066 -4.194 5.380 1.00 3.05 C ATOM 1151 CG2 ILE A 71 -2.633 -5.032 3.000 1.00 52.14 C ATOM 1152 CD1 ILE A 71 -2.488 -5.414 6.069 1.00 2.40 C ATOM 0 H ILE A 71 -5.591 -3.308 5.151 1.00 50.54 H new ATOM 0 HA ILE A 71 -3.623 -2.407 3.329 1.00 60.02 H new ATOM 0 HB ILE A 71 -4.468 -5.245 4.089 1.00 60.10 H new ATOM 0 HG12 ILE A 71 -2.277 -3.451 5.262 1.00 3.05 H new ATOM 0 HG13 ILE A 71 -3.825 -3.753 6.026 1.00 3.05 H new ATOM 0 HG21 ILE A 71 -2.182 -5.931 3.421 1.00 52.14 H new ATOM 0 HG22 ILE A 71 -3.106 -5.275 2.048 1.00 52.14 H new ATOM 0 HG23 ILE A 71 -1.861 -4.279 2.840 1.00 52.14 H new ATOM 0 HD11 ILE A 71 -2.069 -5.123 7.032 1.00 2.40 H new ATOM 0 HD12 ILE A 71 -3.275 -6.152 6.223 1.00 2.40 H new ATOM 0 HD13 ILE A 71 -1.703 -5.845 5.447 1.00 2.40 H new ATOM 1164 N LYS A 72 -6.243 -3.977 2.020 1.00 20.42 N ATOM 1165 CA LYS A 72 -6.996 -4.255 0.781 1.00 71.42 C ATOM 1166 C LYS A 72 -7.224 -2.962 -0.024 1.00 65.34 C ATOM 1167 O LYS A 72 -6.983 -2.934 -1.234 1.00 31.25 O ATOM 1168 CB LYS A 72 -8.360 -4.920 1.105 1.00 35.23 C ATOM 1169 CG LYS A 72 -9.229 -5.245 -0.136 1.00 35.12 C ATOM 1170 CD LYS A 72 -10.621 -5.811 0.240 1.00 54.22 C ATOM 1171 CE LYS A 72 -11.494 -4.805 1.022 1.00 23.00 C ATOM 1172 NZ LYS A 72 -12.757 -5.440 1.505 1.00 54.11 N ATOM 0 H LYS A 72 -6.748 -4.233 2.868 1.00 20.42 H new ATOM 0 HA LYS A 72 -6.403 -4.943 0.178 1.00 71.42 H new ATOM 0 HB2 LYS A 72 -8.178 -5.842 1.657 1.00 35.23 H new ATOM 0 HB3 LYS A 72 -8.924 -4.260 1.764 1.00 35.23 H new ATOM 0 HG2 LYS A 72 -9.358 -4.341 -0.731 1.00 35.12 H new ATOM 0 HG3 LYS A 72 -8.705 -5.967 -0.762 1.00 35.12 H new ATOM 0 HD2 LYS A 72 -11.144 -6.106 -0.670 1.00 54.22 H new ATOM 0 HD3 LYS A 72 -10.490 -6.712 0.839 1.00 54.22 H new ATOM 0 HE2 LYS A 72 -10.932 -4.417 1.872 1.00 23.00 H new ATOM 0 HE3 LYS A 72 -11.733 -3.955 0.383 1.00 23.00 H new ATOM 0 HZ1 LYS A 72 -13.321 -4.739 2.026 1.00 54.11 H new ATOM 0 HZ2 LYS A 72 -13.303 -5.788 0.692 1.00 54.11 H new ATOM 0 HZ3 LYS A 72 -12.527 -6.236 2.134 1.00 54.11 H new ATOM 1186 N LEU A 73 -7.656 -1.887 0.678 1.00 61.13 N ATOM 1187 CA LEU A 73 -7.864 -0.548 0.068 1.00 44.14 C ATOM 1188 C LEU A 73 -6.562 -0.049 -0.576 1.00 31.24 C ATOM 1189 O LEU A 73 -6.561 0.352 -1.736 1.00 62.23 O ATOM 1190 CB LEU A 73 -8.387 0.488 1.126 1.00 54.15 C ATOM 1191 CG LEU A 73 -9.939 0.672 1.226 1.00 51.22 C ATOM 1192 CD1 LEU A 73 -10.661 -0.637 1.590 1.00 21.43 C ATOM 1193 CD2 LEU A 73 -10.287 1.805 2.223 1.00 75.42 C ATOM 0 H LEU A 73 -7.869 -1.921 1.675 1.00 61.13 H new ATOM 0 HA LEU A 73 -8.626 -0.645 -0.706 1.00 44.14 H new ATOM 0 HB2 LEU A 73 -8.016 0.189 2.106 1.00 54.15 H new ATOM 0 HB3 LEU A 73 -7.944 1.458 0.900 1.00 54.15 H new ATOM 0 HG LEU A 73 -10.299 0.959 0.238 1.00 51.22 H new ATOM 0 HD11 LEU A 73 -11.734 -0.457 1.647 1.00 21.43 H new ATOM 0 HD12 LEU A 73 -10.459 -1.388 0.826 1.00 21.43 H new ATOM 0 HD13 LEU A 73 -10.301 -0.995 2.555 1.00 21.43 H new ATOM 0 HD21 LEU A 73 -11.369 1.919 2.280 1.00 75.42 H new ATOM 0 HD22 LEU A 73 -9.896 1.555 3.209 1.00 75.42 H new ATOM 0 HD23 LEU A 73 -9.841 2.739 1.882 1.00 75.42 H new ATOM 1205 N ILE A 74 -5.463 -0.125 0.189 1.00 20.31 N ATOM 1206 CA ILE A 74 -4.116 0.263 -0.268 1.00 44.40 C ATOM 1207 C ILE A 74 -3.743 -0.467 -1.579 1.00 62.03 C ATOM 1208 O ILE A 74 -3.448 0.186 -2.576 1.00 74.12 O ATOM 1209 CB ILE A 74 -3.048 -0.018 0.866 1.00 4.43 C ATOM 1210 CG1 ILE A 74 -3.324 0.911 2.099 1.00 33.44 C ATOM 1211 CG2 ILE A 74 -1.594 0.138 0.352 1.00 15.33 C ATOM 1212 CD1 ILE A 74 -2.456 0.643 3.316 1.00 14.41 C ATOM 0 H ILE A 74 -5.482 -0.461 1.152 1.00 20.31 H new ATOM 0 HA ILE A 74 -4.119 1.333 -0.477 1.00 44.40 H new ATOM 0 HB ILE A 74 -3.152 -1.057 1.178 1.00 4.43 H new ATOM 0 HG12 ILE A 74 -3.182 1.947 1.792 1.00 33.44 H new ATOM 0 HG13 ILE A 74 -4.370 0.804 2.387 1.00 33.44 H new ATOM 0 HG21 ILE A 74 -0.897 -0.064 1.165 1.00 15.33 H new ATOM 0 HG22 ILE A 74 -1.418 -0.567 -0.461 1.00 15.33 H new ATOM 0 HG23 ILE A 74 -1.443 1.155 -0.010 1.00 15.33 H new ATOM 0 HD11 ILE A 74 -2.723 1.336 4.113 1.00 14.41 H new ATOM 0 HD12 ILE A 74 -2.613 -0.380 3.657 1.00 14.41 H new ATOM 0 HD13 ILE A 74 -1.407 0.780 3.052 1.00 14.41 H new ATOM 1224 N GLU A 75 -3.857 -1.807 -1.569 1.00 71.11 N ATOM 1225 CA GLU A 75 -3.505 -2.681 -2.714 1.00 32.02 C ATOM 1226 C GLU A 75 -4.291 -2.326 -3.993 1.00 11.20 C ATOM 1227 O GLU A 75 -3.695 -2.128 -5.051 1.00 5.35 O ATOM 1228 CB GLU A 75 -3.757 -4.166 -2.349 1.00 35.35 C ATOM 1229 CG GLU A 75 -2.835 -4.723 -1.253 1.00 2.35 C ATOM 1230 CD GLU A 75 -3.174 -6.176 -0.893 1.00 62.32 C ATOM 1231 OE1 GLU A 75 -2.695 -7.100 -1.586 1.00 62.31 O ATOM 1232 OE2 GLU A 75 -3.961 -6.397 0.054 1.00 72.13 O ATOM 0 H GLU A 75 -4.199 -2.324 -0.759 1.00 71.11 H new ATOM 0 HA GLU A 75 -2.447 -2.520 -2.922 1.00 32.02 H new ATOM 0 HB2 GLU A 75 -4.792 -4.276 -2.025 1.00 35.35 H new ATOM 0 HB3 GLU A 75 -3.638 -4.772 -3.247 1.00 35.35 H new ATOM 0 HG2 GLU A 75 -1.799 -4.666 -1.588 1.00 2.35 H new ATOM 0 HG3 GLU A 75 -2.916 -4.101 -0.361 1.00 2.35 H new ATOM 1239 N GLU A 76 -5.621 -2.229 -3.861 1.00 72.32 N ATOM 1240 CA GLU A 76 -6.534 -2.013 -5.000 1.00 50.11 C ATOM 1241 C GLU A 76 -6.368 -0.617 -5.618 1.00 14.10 C ATOM 1242 O GLU A 76 -6.370 -0.472 -6.849 1.00 10.15 O ATOM 1243 CB GLU A 76 -8.002 -2.233 -4.554 1.00 12.32 C ATOM 1244 CG GLU A 76 -8.301 -3.639 -4.001 1.00 64.04 C ATOM 1245 CD GLU A 76 -7.942 -4.791 -4.959 1.00 61.35 C ATOM 1246 OE1 GLU A 76 -8.759 -5.124 -5.838 1.00 31.30 O ATOM 1247 OE2 GLU A 76 -6.843 -5.382 -4.828 1.00 22.15 O ATOM 0 H GLU A 76 -6.098 -2.298 -2.962 1.00 72.32 H new ATOM 0 HA GLU A 76 -6.276 -2.740 -5.770 1.00 50.11 H new ATOM 0 HB2 GLU A 76 -8.250 -1.496 -3.790 1.00 12.32 H new ATOM 0 HB3 GLU A 76 -8.658 -2.044 -5.404 1.00 12.32 H new ATOM 0 HG2 GLU A 76 -7.752 -3.774 -3.069 1.00 64.04 H new ATOM 0 HG3 GLU A 76 -9.362 -3.702 -3.758 1.00 64.04 H new ATOM 1254 N ARG A 77 -6.225 0.399 -4.754 1.00 35.42 N ATOM 1255 CA ARG A 77 -6.117 1.807 -5.182 1.00 74.33 C ATOM 1256 C ARG A 77 -4.772 2.065 -5.890 1.00 2.14 C ATOM 1257 O ARG A 77 -4.746 2.666 -6.979 1.00 23.44 O ATOM 1258 CB ARG A 77 -6.255 2.764 -3.971 1.00 62.24 C ATOM 1259 CG ARG A 77 -7.620 2.760 -3.250 1.00 54.04 C ATOM 1260 CD ARG A 77 -8.759 3.429 -4.037 1.00 53.12 C ATOM 1261 NE ARG A 77 -10.009 3.440 -3.248 1.00 54.51 N ATOM 1262 CZ ARG A 77 -10.967 2.500 -3.303 1.00 61.03 C ATOM 1263 NH1 ARG A 77 -10.847 1.456 -4.123 1.00 45.24 N ATOM 1264 NH2 ARG A 77 -12.025 2.590 -2.509 1.00 24.44 N ATOM 0 H ARG A 77 -6.181 0.272 -3.743 1.00 35.42 H new ATOM 0 HA ARG A 77 -6.929 2.001 -5.882 1.00 74.33 H new ATOM 0 HB2 ARG A 77 -5.483 2.510 -3.244 1.00 62.24 H new ATOM 0 HB3 ARG A 77 -6.051 3.779 -4.312 1.00 62.24 H new ATOM 0 HG2 ARG A 77 -7.900 1.729 -3.036 1.00 54.04 H new ATOM 0 HG3 ARG A 77 -7.512 3.267 -2.291 1.00 54.04 H new ATOM 0 HD2 ARG A 77 -8.478 4.450 -4.295 1.00 53.12 H new ATOM 0 HD3 ARG A 77 -8.920 2.897 -4.974 1.00 53.12 H new ATOM 0 HE ARG A 77 -10.156 4.223 -2.611 1.00 54.51 H new ATOM 0 HH11 ARG A 77 -10.022 1.366 -4.716 1.00 45.24 H new ATOM 0 HH12 ARG A 77 -11.580 0.748 -4.157 1.00 45.24 H new ATOM 0 HH21 ARG A 77 -12.110 3.371 -1.859 1.00 24.44 H new ATOM 0 HH22 ARG A 77 -12.754 1.878 -2.548 1.00 24.44 H new ATOM 1278 N ILE A 78 -3.656 1.607 -5.268 1.00 34.33 N ATOM 1279 CA ILE A 78 -2.304 1.834 -5.827 1.00 22.33 C ATOM 1280 C ILE A 78 -2.137 1.066 -7.146 1.00 12.52 C ATOM 1281 O ILE A 78 -1.484 1.552 -8.052 1.00 41.02 O ATOM 1282 CB ILE A 78 -1.129 1.459 -4.838 1.00 51.11 C ATOM 1283 CG1 ILE A 78 -1.066 -0.081 -4.567 1.00 63.22 C ATOM 1284 CG2 ILE A 78 -1.240 2.253 -3.512 1.00 24.22 C ATOM 1285 CD1 ILE A 78 0.076 -0.535 -3.676 1.00 51.04 C ATOM 0 H ILE A 78 -3.667 1.086 -4.391 1.00 34.33 H new ATOM 0 HA ILE A 78 -2.230 2.908 -6.001 1.00 22.33 H new ATOM 0 HB ILE A 78 -0.195 1.742 -5.324 1.00 51.11 H new ATOM 0 HG12 ILE A 78 -2.006 -0.392 -4.112 1.00 63.22 H new ATOM 0 HG13 ILE A 78 -0.988 -0.599 -5.523 1.00 63.22 H new ATOM 0 HG21 ILE A 78 -0.419 1.975 -2.851 1.00 24.22 H new ATOM 0 HG22 ILE A 78 -1.190 3.321 -3.722 1.00 24.22 H new ATOM 0 HG23 ILE A 78 -2.189 2.022 -3.028 1.00 24.22 H new ATOM 0 HD11 ILE A 78 0.031 -1.617 -3.550 1.00 51.04 H new ATOM 0 HD12 ILE A 78 1.026 -0.262 -4.135 1.00 51.04 H new ATOM 0 HD13 ILE A 78 -0.008 -0.052 -2.702 1.00 51.04 H new ATOM 1297 N GLU A 79 -2.771 -0.124 -7.234 1.00 71.32 N ATOM 1298 CA GLU A 79 -2.759 -0.967 -8.441 1.00 51.22 C ATOM 1299 C GLU A 79 -3.479 -0.257 -9.590 1.00 54.43 C ATOM 1300 O GLU A 79 -2.958 -0.207 -10.696 1.00 35.12 O ATOM 1301 CB GLU A 79 -3.393 -2.355 -8.125 1.00 73.14 C ATOM 1302 CG GLU A 79 -3.422 -3.390 -9.291 1.00 53.24 C ATOM 1303 CD GLU A 79 -4.675 -3.286 -10.196 1.00 23.52 C ATOM 1304 OE1 GLU A 79 -5.774 -3.638 -9.729 1.00 45.30 O ATOM 1305 OE2 GLU A 79 -4.561 -2.875 -11.372 1.00 63.52 O ATOM 0 H GLU A 79 -3.307 -0.525 -6.464 1.00 71.32 H new ATOM 0 HA GLU A 79 -1.730 -1.136 -8.757 1.00 51.22 H new ATOM 0 HB2 GLU A 79 -2.848 -2.797 -7.291 1.00 73.14 H new ATOM 0 HB3 GLU A 79 -4.417 -2.193 -7.787 1.00 73.14 H new ATOM 0 HG2 GLU A 79 -2.531 -3.255 -9.905 1.00 53.24 H new ATOM 0 HG3 GLU A 79 -3.372 -4.395 -8.872 1.00 53.24 H new ATOM 1312 N GLU A 80 -4.666 0.310 -9.292 1.00 23.23 N ATOM 1313 CA GLU A 80 -5.502 1.021 -10.280 1.00 24.21 C ATOM 1314 C GLU A 80 -4.733 2.198 -10.922 1.00 53.35 C ATOM 1315 O GLU A 80 -4.742 2.365 -12.152 1.00 70.10 O ATOM 1316 CB GLU A 80 -6.817 1.500 -9.593 1.00 5.13 C ATOM 1317 CG GLU A 80 -7.743 2.413 -10.441 1.00 54.55 C ATOM 1318 CD GLU A 80 -8.183 1.807 -11.785 1.00 75.41 C ATOM 1319 OE1 GLU A 80 -8.674 0.660 -11.805 1.00 1.43 O ATOM 1320 OE2 GLU A 80 -8.033 2.465 -12.834 1.00 40.20 O ATOM 0 H GLU A 80 -5.072 0.287 -8.357 1.00 23.23 H new ATOM 0 HA GLU A 80 -5.759 0.337 -11.089 1.00 24.21 H new ATOM 0 HB2 GLU A 80 -7.386 0.620 -9.292 1.00 5.13 H new ATOM 0 HB3 GLU A 80 -6.551 2.035 -8.681 1.00 5.13 H new ATOM 0 HG2 GLU A 80 -8.632 2.651 -9.856 1.00 54.55 H new ATOM 0 HG3 GLU A 80 -7.227 3.354 -10.633 1.00 54.55 H new ATOM 1327 N GLU A 81 -4.039 2.971 -10.075 1.00 74.52 N ATOM 1328 CA GLU A 81 -3.302 4.175 -10.499 1.00 21.43 C ATOM 1329 C GLU A 81 -1.958 3.833 -11.171 1.00 60.24 C ATOM 1330 O GLU A 81 -1.533 4.523 -12.110 1.00 54.22 O ATOM 1331 CB GLU A 81 -3.087 5.095 -9.280 1.00 61.20 C ATOM 1332 CG GLU A 81 -4.389 5.560 -8.604 1.00 34.43 C ATOM 1333 CD GLU A 81 -5.279 6.408 -9.521 1.00 24.20 C ATOM 1334 OE1 GLU A 81 -4.843 7.514 -9.916 1.00 22.11 O ATOM 1335 OE2 GLU A 81 -6.420 5.999 -9.831 1.00 43.03 O ATOM 0 H GLU A 81 -3.971 2.781 -9.075 1.00 74.52 H new ATOM 0 HA GLU A 81 -3.900 4.692 -11.250 1.00 21.43 H new ATOM 0 HB2 GLU A 81 -2.477 4.570 -8.545 1.00 61.20 H new ATOM 0 HB3 GLU A 81 -2.521 5.972 -9.596 1.00 61.20 H new ATOM 0 HG2 GLU A 81 -4.950 4.686 -8.272 1.00 34.43 H new ATOM 0 HG3 GLU A 81 -4.142 6.138 -7.714 1.00 34.43 H new ATOM 1342 N LEU A 82 -1.297 2.770 -10.689 1.00 70.00 N ATOM 1343 CA LEU A 82 0.029 2.350 -11.196 1.00 34.23 C ATOM 1344 C LEU A 82 -0.138 1.678 -12.571 1.00 50.33 C ATOM 1345 O LEU A 82 0.703 1.841 -13.443 1.00 50.35 O ATOM 1346 CB LEU A 82 0.727 1.382 -10.184 1.00 53.20 C ATOM 1347 CG LEU A 82 2.282 1.509 -10.021 1.00 24.22 C ATOM 1348 CD1 LEU A 82 2.793 0.506 -8.968 1.00 32.13 C ATOM 1349 CD2 LEU A 82 3.045 1.348 -11.354 1.00 1.00 C ATOM 0 H LEU A 82 -1.659 2.177 -9.942 1.00 70.00 H new ATOM 0 HA LEU A 82 0.665 3.229 -11.305 1.00 34.23 H new ATOM 0 HB2 LEU A 82 0.272 1.533 -9.205 1.00 53.20 H new ATOM 0 HB3 LEU A 82 0.502 0.359 -10.486 1.00 53.20 H new ATOM 0 HG LEU A 82 2.483 2.523 -9.676 1.00 24.22 H new ATOM 0 HD11 LEU A 82 3.874 0.605 -8.865 1.00 32.13 H new ATOM 0 HD12 LEU A 82 2.317 0.711 -8.009 1.00 32.13 H new ATOM 0 HD13 LEU A 82 2.550 -0.509 -9.284 1.00 32.13 H new ATOM 0 HD21 LEU A 82 4.116 1.446 -11.175 1.00 1.00 H new ATOM 0 HD22 LEU A 82 2.836 0.365 -11.776 1.00 1.00 H new ATOM 0 HD23 LEU A 82 2.722 2.119 -12.053 1.00 1.00 H new ATOM 1361 N ARG A 83 -1.266 0.955 -12.742 1.00 22.34 N ATOM 1362 CA ARG A 83 -1.568 0.174 -13.967 1.00 71.32 C ATOM 1363 C ARG A 83 -1.655 1.088 -15.208 1.00 52.02 C ATOM 1364 O ARG A 83 -1.364 0.660 -16.326 1.00 41.13 O ATOM 1365 CB ARG A 83 -2.892 -0.615 -13.788 1.00 62.05 C ATOM 1366 CG ARG A 83 -3.208 -1.626 -14.918 1.00 63.40 C ATOM 1367 CD ARG A 83 -4.601 -2.280 -14.778 1.00 44.50 C ATOM 1368 NE ARG A 83 -5.707 -1.334 -15.037 1.00 21.13 N ATOM 1369 CZ ARG A 83 -6.501 -0.774 -14.103 1.00 71.32 C ATOM 1370 NH1 ARG A 83 -6.339 -1.044 -12.812 1.00 43.31 N ATOM 1371 NH2 ARG A 83 -7.454 0.068 -14.476 1.00 21.21 N ATOM 0 H ARG A 83 -1.997 0.895 -12.033 1.00 22.34 H new ATOM 0 HA ARG A 83 -0.752 -0.531 -14.125 1.00 71.32 H new ATOM 0 HB2 ARG A 83 -2.852 -1.152 -12.841 1.00 62.05 H new ATOM 0 HB3 ARG A 83 -3.715 0.096 -13.717 1.00 62.05 H new ATOM 0 HG2 ARG A 83 -3.148 -1.116 -15.880 1.00 63.40 H new ATOM 0 HG3 ARG A 83 -2.446 -2.406 -14.922 1.00 63.40 H new ATOM 0 HD2 ARG A 83 -4.675 -3.117 -15.472 1.00 44.50 H new ATOM 0 HD3 ARG A 83 -4.706 -2.688 -13.773 1.00 44.50 H new ATOM 0 HE ARG A 83 -5.885 -1.083 -16.009 1.00 21.13 H new ATOM 0 HH11 ARG A 83 -5.604 -1.685 -12.513 1.00 43.31 H new ATOM 0 HH12 ARG A 83 -6.950 -0.610 -12.120 1.00 43.31 H new ATOM 0 HH21 ARG A 83 -7.582 0.288 -15.464 1.00 21.21 H new ATOM 0 HH22 ARG A 83 -8.059 0.496 -13.775 1.00 21.21 H new ATOM 1385 N LYS A 84 -2.035 2.349 -14.971 1.00 33.54 N ATOM 1386 CA LYS A 84 -2.134 3.388 -16.011 1.00 12.52 C ATOM 1387 C LYS A 84 -0.750 3.684 -16.626 1.00 54.11 C ATOM 1388 O LYS A 84 -0.625 3.880 -17.838 1.00 22.14 O ATOM 1389 CB LYS A 84 -2.729 4.674 -15.380 1.00 43.05 C ATOM 1390 CG LYS A 84 -4.044 4.425 -14.615 1.00 71.13 C ATOM 1391 CD LYS A 84 -4.622 5.702 -13.963 1.00 11.43 C ATOM 1392 CE LYS A 84 -5.898 5.402 -13.169 1.00 23.10 C ATOM 1393 NZ LYS A 84 -6.905 4.680 -13.987 1.00 35.15 N ATOM 0 H LYS A 84 -2.286 2.684 -14.041 1.00 33.54 H new ATOM 0 HA LYS A 84 -2.784 3.034 -16.811 1.00 12.52 H new ATOM 0 HB2 LYS A 84 -1.997 5.108 -14.699 1.00 43.05 H new ATOM 0 HB3 LYS A 84 -2.907 5.407 -16.166 1.00 43.05 H new ATOM 0 HG2 LYS A 84 -4.782 4.009 -15.301 1.00 71.13 H new ATOM 0 HG3 LYS A 84 -3.870 3.677 -13.842 1.00 71.13 H new ATOM 0 HD2 LYS A 84 -3.876 6.143 -13.301 1.00 11.43 H new ATOM 0 HD3 LYS A 84 -4.839 6.440 -14.736 1.00 11.43 H new ATOM 0 HE2 LYS A 84 -5.647 4.805 -12.292 1.00 23.10 H new ATOM 0 HE3 LYS A 84 -6.327 6.336 -12.806 1.00 23.10 H new ATOM 0 HZ1 LYS A 84 -7.817 5.177 -13.934 1.00 35.15 H new ATOM 0 HZ2 LYS A 84 -6.587 4.645 -14.977 1.00 35.15 H new ATOM 0 HZ3 LYS A 84 -7.017 3.712 -13.625 1.00 35.15 H new ATOM 1407 N ARG A 85 0.270 3.708 -15.760 1.00 73.33 N ATOM 1408 CA ARG A 85 1.669 4.006 -16.135 1.00 53.11 C ATOM 1409 C ARG A 85 2.456 2.726 -16.487 1.00 25.32 C ATOM 1410 O ARG A 85 3.385 2.768 -17.294 1.00 41.01 O ATOM 1411 CB ARG A 85 2.357 4.792 -14.973 1.00 41.44 C ATOM 1412 CG ARG A 85 2.114 6.323 -14.984 1.00 65.41 C ATOM 1413 CD ARG A 85 2.737 7.000 -16.215 1.00 34.54 C ATOM 1414 NE ARG A 85 4.145 6.603 -16.360 1.00 4.41 N ATOM 1415 CZ ARG A 85 4.856 6.608 -17.496 1.00 60.31 C ATOM 1416 NH1 ARG A 85 4.324 7.018 -18.646 1.00 51.01 N ATOM 1417 NH2 ARG A 85 6.093 6.132 -17.488 1.00 53.41 N ATOM 0 H ARG A 85 0.152 3.519 -14.765 1.00 73.33 H new ATOM 0 HA ARG A 85 1.664 4.623 -17.034 1.00 53.11 H new ATOM 0 HB2 ARG A 85 2.004 4.390 -14.023 1.00 41.44 H new ATOM 0 HB3 ARG A 85 3.431 4.609 -15.017 1.00 41.44 H new ATOM 0 HG2 ARG A 85 1.042 6.519 -14.967 1.00 65.41 H new ATOM 0 HG3 ARG A 85 2.533 6.762 -14.079 1.00 65.41 H new ATOM 0 HD2 ARG A 85 2.180 6.724 -17.111 1.00 34.54 H new ATOM 0 HD3 ARG A 85 2.666 8.083 -16.117 1.00 34.54 H new ATOM 0 HE ARG A 85 4.627 6.294 -15.516 1.00 4.41 H new ATOM 0 HH11 ARG A 85 3.356 7.337 -18.675 1.00 51.01 H new ATOM 0 HH12 ARG A 85 4.885 7.013 -19.498 1.00 51.01 H new ATOM 0 HH21 ARG A 85 6.494 5.767 -16.624 1.00 53.41 H new ATOM 0 HH22 ARG A 85 6.644 6.130 -18.346 1.00 53.41 H new ATOM 1431 N ASP A 86 2.065 1.604 -15.881 1.00 53.35 N ATOM 1432 CA ASP A 86 2.705 0.293 -16.075 1.00 30.21 C ATOM 1433 C ASP A 86 1.610 -0.780 -16.228 1.00 71.14 C ATOM 1434 O ASP A 86 1.041 -1.229 -15.226 1.00 14.43 O ATOM 1435 CB ASP A 86 3.666 -0.057 -14.890 1.00 23.14 C ATOM 1436 CG ASP A 86 5.030 0.651 -14.964 1.00 73.41 C ATOM 1437 OD1 ASP A 86 5.931 0.136 -15.658 1.00 63.12 O ATOM 1438 OD2 ASP A 86 5.209 1.712 -14.339 1.00 15.00 O ATOM 0 H ASP A 86 1.281 1.576 -15.229 1.00 53.35 H new ATOM 0 HA ASP A 86 3.314 0.326 -16.979 1.00 30.21 H new ATOM 0 HB2 ASP A 86 3.180 0.208 -13.951 1.00 23.14 H new ATOM 0 HB3 ASP A 86 3.828 -1.135 -14.872 1.00 23.14 H new ATOM 1443 N PRO A 87 1.279 -1.223 -17.489 1.00 3.03 N ATOM 1444 CA PRO A 87 0.234 -2.256 -17.729 1.00 42.23 C ATOM 1445 C PRO A 87 0.633 -3.643 -17.181 1.00 74.41 C ATOM 1446 O PRO A 87 -0.220 -4.517 -17.007 1.00 15.22 O ATOM 1447 CB PRO A 87 0.088 -2.269 -19.272 1.00 44.54 C ATOM 1448 CG PRO A 87 1.405 -1.774 -19.784 1.00 21.32 C ATOM 1449 CD PRO A 87 1.880 -0.753 -18.769 1.00 43.51 C ATOM 0 HA PRO A 87 -0.698 -2.027 -17.213 1.00 42.23 H new ATOM 0 HB2 PRO A 87 -0.128 -3.272 -19.641 1.00 44.54 H new ATOM 0 HB3 PRO A 87 -0.730 -1.626 -19.598 1.00 44.54 H new ATOM 0 HG2 PRO A 87 2.120 -2.591 -19.882 1.00 21.32 H new ATOM 0 HG3 PRO A 87 1.298 -1.325 -20.771 1.00 21.32 H new ATOM 0 HD2 PRO A 87 2.968 -0.720 -18.713 1.00 43.51 H new ATOM 0 HD3 PRO A 87 1.544 0.252 -19.024 1.00 43.51 H new ATOM 1457 N ASN A 88 1.935 -3.820 -16.902 1.00 1.44 N ATOM 1458 CA ASN A 88 2.485 -5.065 -16.337 1.00 13.44 C ATOM 1459 C ASN A 88 3.018 -4.825 -14.909 1.00 52.31 C ATOM 1460 O ASN A 88 3.871 -5.584 -14.435 1.00 44.52 O ATOM 1461 CB ASN A 88 3.592 -5.626 -17.262 1.00 23.10 C ATOM 1462 CG ASN A 88 3.069 -5.980 -18.661 1.00 33.10 C ATOM 1463 OD1 ASN A 88 3.094 -5.153 -19.573 1.00 71.44 O ATOM 1464 ND2 ASN A 88 2.573 -7.201 -18.829 1.00 60.14 N ATOM 0 H ASN A 88 2.640 -3.100 -17.063 1.00 1.44 H new ATOM 0 HA ASN A 88 1.687 -5.805 -16.273 1.00 13.44 H new ATOM 0 HB2 ASN A 88 4.392 -4.891 -17.352 1.00 23.10 H new ATOM 0 HB3 ASN A 88 4.026 -6.515 -16.805 1.00 23.10 H new ATOM 0 HD21 ASN A 88 2.197 -7.478 -19.736 1.00 60.14 H new ATOM 0 HD22 ASN A 88 2.568 -7.861 -18.051 1.00 60.14 H new ATOM 1471 N ALA A 89 2.493 -3.779 -14.225 1.00 72.42 N ATOM 1472 CA ALA A 89 2.791 -3.517 -12.803 1.00 53.11 C ATOM 1473 C ALA A 89 2.315 -4.700 -11.949 1.00 33.23 C ATOM 1474 O ALA A 89 1.116 -4.989 -11.910 1.00 62.12 O ATOM 1475 CB ALA A 89 2.119 -2.218 -12.326 1.00 71.40 C ATOM 0 H ALA A 89 1.856 -3.100 -14.643 1.00 72.42 H new ATOM 0 HA ALA A 89 3.869 -3.399 -12.693 1.00 53.11 H new ATOM 0 HB1 ALA A 89 2.356 -2.050 -11.275 1.00 71.40 H new ATOM 0 HB2 ALA A 89 2.486 -1.380 -12.919 1.00 71.40 H new ATOM 0 HB3 ALA A 89 1.039 -2.302 -12.446 1.00 71.40 H new ATOM 1481 N THR A 90 3.254 -5.387 -11.295 1.00 42.31 N ATOM 1482 CA THR A 90 2.978 -6.608 -10.540 1.00 20.31 C ATOM 1483 C THR A 90 3.447 -6.413 -9.094 1.00 35.11 C ATOM 1484 O THR A 90 4.535 -5.878 -8.857 1.00 44.40 O ATOM 1485 CB THR A 90 3.698 -7.819 -11.209 1.00 62.03 C ATOM 1486 OG1 THR A 90 3.322 -7.890 -12.593 1.00 15.51 O ATOM 1487 CG2 THR A 90 3.364 -9.153 -10.524 1.00 34.25 C ATOM 0 H THR A 90 4.235 -5.108 -11.275 1.00 42.31 H new ATOM 0 HA THR A 90 1.908 -6.816 -10.538 1.00 20.31 H new ATOM 0 HB THR A 90 4.771 -7.658 -11.107 1.00 62.03 H new ATOM 0 HG1 THR A 90 3.670 -7.106 -13.067 1.00 15.51 H new ATOM 0 HG21 THR A 90 3.891 -9.963 -11.029 1.00 34.25 H new ATOM 0 HG22 THR A 90 3.674 -9.113 -9.480 1.00 34.25 H new ATOM 0 HG23 THR A 90 2.290 -9.330 -10.577 1.00 34.25 H new ATOM 1495 N ILE A 91 2.612 -6.827 -8.129 1.00 1.33 N ATOM 1496 CA ILE A 91 2.868 -6.620 -6.695 1.00 72.21 C ATOM 1497 C ILE A 91 2.798 -7.971 -5.955 1.00 44.22 C ATOM 1498 O ILE A 91 1.785 -8.678 -6.003 1.00 63.24 O ATOM 1499 CB ILE A 91 1.891 -5.548 -6.042 1.00 51.04 C ATOM 1500 CG1 ILE A 91 0.371 -5.943 -6.118 1.00 32.21 C ATOM 1501 CG2 ILE A 91 2.113 -4.143 -6.664 1.00 50.33 C ATOM 1502 CD1 ILE A 91 -0.281 -5.835 -7.491 1.00 64.41 C ATOM 0 H ILE A 91 1.738 -7.316 -8.321 1.00 1.33 H new ATOM 0 HA ILE A 91 3.872 -6.207 -6.594 1.00 72.21 H new ATOM 0 HB ILE A 91 2.149 -5.523 -4.983 1.00 51.04 H new ATOM 0 HG12 ILE A 91 0.265 -6.970 -5.768 1.00 32.21 H new ATOM 0 HG13 ILE A 91 -0.183 -5.311 -5.424 1.00 32.21 H new ATOM 0 HG21 ILE A 91 1.433 -3.428 -6.200 1.00 50.33 H new ATOM 0 HG22 ILE A 91 3.142 -3.828 -6.493 1.00 50.33 H new ATOM 0 HG23 ILE A 91 1.920 -4.185 -7.736 1.00 50.33 H new ATOM 0 HD11 ILE A 91 -1.327 -6.132 -7.421 1.00 64.41 H new ATOM 0 HD12 ILE A 91 -0.219 -4.805 -7.843 1.00 64.41 H new ATOM 0 HD13 ILE A 91 0.236 -6.490 -8.192 1.00 64.41 H new ATOM 1514 N THR A 92 3.897 -8.332 -5.285 1.00 30.31 N ATOM 1515 CA THR A 92 4.030 -9.608 -4.576 1.00 20.14 C ATOM 1516 C THR A 92 3.741 -9.390 -3.081 1.00 44.22 C ATOM 1517 O THR A 92 4.521 -8.738 -2.385 1.00 24.11 O ATOM 1518 CB THR A 92 5.465 -10.206 -4.783 1.00 44.32 C ATOM 1519 OG1 THR A 92 5.707 -10.417 -6.185 1.00 52.23 O ATOM 1520 CG2 THR A 92 5.662 -11.531 -4.021 1.00 31.32 C ATOM 0 H THR A 92 4.726 -7.742 -5.219 1.00 30.31 H new ATOM 0 HA THR A 92 3.311 -10.321 -4.979 1.00 20.14 H new ATOM 0 HB THR A 92 6.178 -9.486 -4.382 1.00 44.32 H new ATOM 0 HG1 THR A 92 6.605 -10.789 -6.310 1.00 52.23 H new ATOM 0 HG21 THR A 92 6.671 -11.905 -4.196 1.00 31.32 H new ATOM 0 HG22 THR A 92 5.518 -11.362 -2.954 1.00 31.32 H new ATOM 0 HG23 THR A 92 4.937 -12.265 -4.373 1.00 31.32 H new ATOM 1528 N ARG A 93 2.599 -9.901 -2.611 1.00 52.14 N ATOM 1529 CA ARG A 93 2.238 -9.858 -1.190 1.00 3.44 C ATOM 1530 C ARG A 93 3.023 -10.941 -0.424 1.00 75.54 C ATOM 1531 O ARG A 93 2.744 -12.136 -0.568 1.00 42.34 O ATOM 1532 CB ARG A 93 0.714 -10.087 -0.982 1.00 42.03 C ATOM 1533 CG ARG A 93 0.260 -10.020 0.505 1.00 33.20 C ATOM 1534 CD ARG A 93 -1.009 -10.847 0.786 1.00 33.02 C ATOM 1535 NE ARG A 93 -0.827 -12.283 0.455 1.00 23.32 N ATOM 1536 CZ ARG A 93 -0.176 -13.192 1.219 1.00 60.21 C ATOM 1537 NH1 ARG A 93 0.386 -12.852 2.381 1.00 53.13 N ATOM 1538 NH2 ARG A 93 -0.095 -14.447 0.814 1.00 24.33 N ATOM 0 H ARG A 93 1.901 -10.354 -3.201 1.00 52.14 H new ATOM 0 HA ARG A 93 2.491 -8.868 -0.809 1.00 3.44 H new ATOM 0 HB2 ARG A 93 0.164 -9.339 -1.553 1.00 42.03 H new ATOM 0 HB3 ARG A 93 0.445 -11.061 -1.390 1.00 42.03 H new ATOM 0 HG2 ARG A 93 1.069 -10.378 1.142 1.00 33.20 H new ATOM 0 HG3 ARG A 93 0.077 -8.980 0.776 1.00 33.20 H new ATOM 0 HD2 ARG A 93 -1.279 -10.750 1.838 1.00 33.02 H new ATOM 0 HD3 ARG A 93 -1.839 -10.444 0.205 1.00 33.02 H new ATOM 0 HE ARG A 93 -1.227 -12.613 -0.423 1.00 23.32 H new ATOM 0 HH11 ARG A 93 0.331 -11.889 2.712 1.00 53.13 H new ATOM 0 HH12 ARG A 93 0.871 -13.555 2.938 1.00 53.13 H new ATOM 0 HH21 ARG A 93 -0.521 -14.726 -0.070 1.00 24.33 H new ATOM 0 HH22 ARG A 93 0.394 -15.137 1.385 1.00 24.33 H new ATOM 1552 N THR A 94 4.022 -10.523 0.348 1.00 34.24 N ATOM 1553 CA THR A 94 4.655 -11.373 1.351 1.00 12.54 C ATOM 1554 C THR A 94 4.296 -10.800 2.725 1.00 2.03 C ATOM 1555 O THR A 94 4.630 -9.653 3.025 1.00 34.23 O ATOM 1556 CB THR A 94 6.205 -11.432 1.158 1.00 51.54 C ATOM 1557 OG1 THR A 94 6.510 -11.983 -0.137 1.00 41.01 O ATOM 1558 CG2 THR A 94 6.893 -12.273 2.241 1.00 0.44 C ATOM 0 H THR A 94 4.416 -9.584 0.295 1.00 34.24 H new ATOM 0 HA THR A 94 4.295 -12.397 1.255 1.00 12.54 H new ATOM 0 HB THR A 94 6.583 -10.413 1.238 1.00 51.54 H new ATOM 0 HG1 THR A 94 7.482 -12.018 -0.257 1.00 41.01 H new ATOM 0 HG21 THR A 94 7.969 -12.284 2.064 1.00 0.44 H new ATOM 0 HG22 THR A 94 6.691 -11.840 3.221 1.00 0.44 H new ATOM 0 HG23 THR A 94 6.509 -13.293 2.208 1.00 0.44 H new ATOM 1566 N VAL A 95 3.589 -11.586 3.542 1.00 62.13 N ATOM 1567 CA VAL A 95 3.206 -11.164 4.893 1.00 34.31 C ATOM 1568 C VAL A 95 4.467 -11.184 5.791 1.00 5.51 C ATOM 1569 O VAL A 95 5.262 -12.133 5.751 1.00 4.43 O ATOM 1570 CB VAL A 95 2.051 -12.057 5.488 1.00 63.44 C ATOM 1571 CG1 VAL A 95 2.434 -13.549 5.509 1.00 5.24 C ATOM 1572 CG2 VAL A 95 1.621 -11.552 6.893 1.00 34.41 C ATOM 0 H VAL A 95 3.269 -12.521 3.290 1.00 62.13 H new ATOM 0 HA VAL A 95 2.805 -10.151 4.851 1.00 34.31 H new ATOM 0 HB VAL A 95 1.189 -11.963 4.827 1.00 63.44 H new ATOM 0 HG11 VAL A 95 1.611 -14.130 5.926 1.00 5.24 H new ATOM 0 HG12 VAL A 95 2.638 -13.887 4.493 1.00 5.24 H new ATOM 0 HG13 VAL A 95 3.324 -13.688 6.123 1.00 5.24 H new ATOM 0 HG21 VAL A 95 0.823 -12.186 7.279 1.00 34.41 H new ATOM 0 HG22 VAL A 95 2.474 -11.590 7.570 1.00 34.41 H new ATOM 0 HG23 VAL A 95 1.263 -10.525 6.817 1.00 34.41 H new ATOM 1582 N ARG A 96 4.677 -10.091 6.537 1.00 52.32 N ATOM 1583 CA ARG A 96 5.874 -9.909 7.388 1.00 5.24 C ATOM 1584 C ARG A 96 5.499 -10.029 8.887 1.00 74.43 C ATOM 1585 O ARG A 96 6.337 -9.815 9.764 1.00 12.33 O ATOM 1586 CB ARG A 96 6.517 -8.523 7.059 1.00 51.24 C ATOM 1587 CG ARG A 96 7.967 -8.342 7.562 1.00 13.12 C ATOM 1588 CD ARG A 96 8.958 -9.351 6.940 1.00 40.10 C ATOM 1589 NE ARG A 96 10.263 -9.348 7.621 1.00 23.54 N ATOM 1590 CZ ARG A 96 11.294 -10.157 7.302 1.00 43.30 C ATOM 1591 NH1 ARG A 96 11.182 -11.044 6.305 1.00 64.12 N ATOM 1592 NH2 ARG A 96 12.429 -10.075 7.991 1.00 52.23 N ATOM 0 H ARG A 96 4.027 -9.306 6.572 1.00 52.32 H new ATOM 0 HA ARG A 96 6.603 -10.692 7.181 1.00 5.24 H new ATOM 0 HB2 ARG A 96 6.502 -8.379 5.979 1.00 51.24 H new ATOM 0 HB3 ARG A 96 5.897 -7.739 7.493 1.00 51.24 H new ATOM 0 HG2 ARG A 96 8.300 -7.329 7.335 1.00 13.12 H new ATOM 0 HG3 ARG A 96 7.984 -8.448 8.647 1.00 13.12 H new ATOM 0 HD2 ARG A 96 8.530 -10.352 6.986 1.00 40.10 H new ATOM 0 HD3 ARG A 96 9.101 -9.113 5.886 1.00 40.10 H new ATOM 0 HE ARG A 96 10.397 -8.688 8.387 1.00 23.54 H new ATOM 0 HH11 ARG A 96 10.311 -11.112 5.779 1.00 64.12 H new ATOM 0 HH12 ARG A 96 11.968 -11.651 6.072 1.00 64.12 H new ATOM 0 HH21 ARG A 96 12.515 -9.404 8.754 1.00 52.23 H new ATOM 0 HH22 ARG A 96 13.213 -10.683 7.756 1.00 52.23 H new ATOM 1606 N THR A 97 4.232 -10.378 9.167 1.00 40.04 N ATOM 1607 CA THR A 97 3.741 -10.587 10.532 1.00 74.43 C ATOM 1608 C THR A 97 4.049 -12.030 10.978 1.00 41.24 C ATOM 1609 O THR A 97 3.269 -12.966 10.718 1.00 22.32 O ATOM 1610 CB THR A 97 2.207 -10.296 10.629 1.00 14.33 C ATOM 1611 OG1 THR A 97 1.928 -9.036 10.019 1.00 2.44 O ATOM 1612 CG2 THR A 97 1.709 -10.271 12.091 1.00 34.10 C ATOM 0 H THR A 97 3.522 -10.522 8.449 1.00 40.04 H new ATOM 0 HA THR A 97 4.252 -9.891 11.197 1.00 74.43 H new ATOM 0 HB THR A 97 1.684 -11.101 10.113 1.00 14.33 H new ATOM 0 HG1 THR A 97 2.329 -9.009 9.125 1.00 2.44 H new ATOM 0 HG21 THR A 97 0.639 -10.065 12.107 1.00 34.10 H new ATOM 0 HG22 THR A 97 1.900 -11.238 12.557 1.00 34.10 H new ATOM 0 HG23 THR A 97 2.236 -9.492 12.642 1.00 34.10 H new ATOM 1620 N GLU A 98 5.227 -12.207 11.595 1.00 43.33 N ATOM 1621 CA GLU A 98 5.684 -13.511 12.103 1.00 71.05 C ATOM 1622 C GLU A 98 6.295 -13.298 13.493 1.00 4.41 C ATOM 1623 O GLU A 98 7.518 -13.317 13.680 1.00 40.11 O ATOM 1624 CB GLU A 98 6.685 -14.168 11.108 1.00 51.35 C ATOM 1625 CG GLU A 98 7.059 -15.631 11.447 1.00 22.31 C ATOM 1626 CD GLU A 98 7.968 -16.288 10.395 1.00 65.51 C ATOM 1627 OE1 GLU A 98 7.473 -16.624 9.305 1.00 71.10 O ATOM 1628 OE2 GLU A 98 9.177 -16.477 10.660 1.00 53.40 O ATOM 0 H GLU A 98 5.891 -11.450 11.756 1.00 43.33 H new ATOM 0 HA GLU A 98 4.846 -14.202 12.192 1.00 71.05 H new ATOM 0 HB2 GLU A 98 6.255 -14.139 10.107 1.00 51.35 H new ATOM 0 HB3 GLU A 98 7.596 -13.570 11.081 1.00 51.35 H new ATOM 0 HG2 GLU A 98 7.559 -15.655 12.415 1.00 22.31 H new ATOM 0 HG3 GLU A 98 6.146 -16.218 11.545 1.00 22.31 H new ATOM 1635 N VAL A 99 5.410 -13.015 14.463 1.00 61.42 N ATOM 1636 CA VAL A 99 5.791 -12.661 15.831 1.00 13.13 C ATOM 1637 C VAL A 99 5.640 -13.886 16.743 1.00 70.15 C ATOM 1638 O VAL A 99 4.527 -14.230 17.162 1.00 15.44 O ATOM 1639 CB VAL A 99 4.931 -11.456 16.371 1.00 3.22 C ATOM 1640 CG1 VAL A 99 5.359 -11.053 17.799 1.00 1.05 C ATOM 1641 CG2 VAL A 99 4.997 -10.252 15.399 1.00 75.41 C ATOM 0 H VAL A 99 4.401 -13.027 14.313 1.00 61.42 H new ATOM 0 HA VAL A 99 6.834 -12.343 15.828 1.00 13.13 H new ATOM 0 HB VAL A 99 3.893 -11.784 16.426 1.00 3.22 H new ATOM 0 HG11 VAL A 99 4.746 -10.219 18.141 1.00 1.05 H new ATOM 0 HG12 VAL A 99 5.227 -11.901 18.471 1.00 1.05 H new ATOM 0 HG13 VAL A 99 6.407 -10.754 17.794 1.00 1.05 H new ATOM 0 HG21 VAL A 99 4.396 -9.433 15.793 1.00 75.41 H new ATOM 0 HG22 VAL A 99 6.032 -9.925 15.294 1.00 75.41 H new ATOM 0 HG23 VAL A 99 4.610 -10.550 14.424 1.00 75.41 H new ATOM 1651 N GLY A 100 6.772 -14.559 17.003 1.00 31.22 N ATOM 1652 CA GLY A 100 6.823 -15.662 17.963 1.00 0.50 C ATOM 1653 C GLY A 100 6.857 -15.173 19.408 1.00 53.55 C ATOM 1654 O GLY A 100 6.648 -15.963 20.336 1.00 62.32 O ATOM 0 H GLY A 100 7.666 -14.354 16.557 1.00 31.22 H new ATOM 0 HA2 GLY A 100 5.955 -16.305 17.820 1.00 0.50 H new ATOM 0 HA3 GLY A 100 7.706 -16.270 17.767 1.00 0.50 H new ATOM 1658 N SER A 101 7.139 -13.861 19.590 1.00 31.21 N ATOM 1659 CA SER A 101 7.145 -13.204 20.906 1.00 12.42 C ATOM 1660 C SER A 101 5.697 -12.997 21.391 1.00 2.01 C ATOM 1661 O SER A 101 5.059 -11.977 21.097 1.00 41.31 O ATOM 1662 CB SER A 101 7.920 -11.858 20.823 1.00 14.34 C ATOM 1663 OG SER A 101 8.013 -11.211 22.090 1.00 54.55 O ATOM 0 H SER A 101 7.369 -13.232 18.821 1.00 31.21 H new ATOM 0 HA SER A 101 7.655 -13.838 21.632 1.00 12.42 H new ATOM 0 HB2 SER A 101 8.922 -12.041 20.436 1.00 14.34 H new ATOM 0 HB3 SER A 101 7.421 -11.196 20.115 1.00 14.34 H new ATOM 0 HG SER A 101 8.508 -10.371 21.993 1.00 54.55 H new ATOM 1669 N SER A 102 5.172 -14.025 22.075 1.00 44.10 N ATOM 1670 CA SER A 102 3.821 -14.025 22.656 1.00 33.44 C ATOM 1671 C SER A 102 3.873 -14.338 24.165 1.00 44.54 C ATOM 1672 O SER A 102 2.836 -14.627 24.776 1.00 4.43 O ATOM 1673 CB SER A 102 2.955 -15.052 21.889 1.00 31.21 C ATOM 1674 OG SER A 102 3.561 -16.338 21.859 1.00 65.23 O ATOM 0 H SER A 102 5.682 -14.892 22.242 1.00 44.10 H new ATOM 0 HA SER A 102 3.373 -13.036 22.556 1.00 33.44 H new ATOM 0 HB2 SER A 102 1.974 -15.123 22.359 1.00 31.21 H new ATOM 0 HB3 SER A 102 2.795 -14.702 20.869 1.00 31.21 H new ATOM 0 HG SER A 102 2.984 -16.960 21.368 1.00 65.23 H new ATOM 1680 N TRP A 103 5.087 -14.250 24.751 1.00 33.21 N ATOM 1681 CA TRP A 103 5.335 -14.497 26.181 1.00 11.31 C ATOM 1682 C TRP A 103 4.586 -13.469 27.046 1.00 73.23 C ATOM 1683 O TRP A 103 4.677 -12.262 26.816 1.00 74.31 O ATOM 1684 CB TRP A 103 6.871 -14.467 26.452 1.00 31.42 C ATOM 1685 CG TRP A 103 7.332 -14.611 27.903 1.00 51.23 C ATOM 1686 CD1 TRP A 103 6.701 -15.262 28.937 1.00 14.41 C ATOM 1687 CD2 TRP A 103 8.569 -14.118 28.452 1.00 30.20 C ATOM 1688 NE1 TRP A 103 7.461 -15.184 30.077 1.00 43.13 N ATOM 1689 CE2 TRP A 103 8.612 -14.499 29.806 1.00 12.11 C ATOM 1690 CE3 TRP A 103 9.649 -13.392 27.926 1.00 2.23 C ATOM 1691 CZ2 TRP A 103 9.681 -14.177 30.642 1.00 4.12 C ATOM 1692 CZ3 TRP A 103 10.710 -13.073 28.757 1.00 62.20 C ATOM 1693 CH2 TRP A 103 10.722 -13.470 30.100 1.00 53.12 C ATOM 0 H TRP A 103 5.931 -14.002 24.234 1.00 33.21 H new ATOM 0 HA TRP A 103 4.956 -15.482 26.452 1.00 11.31 H new ATOM 0 HB2 TRP A 103 7.331 -15.266 25.871 1.00 31.42 H new ATOM 0 HB3 TRP A 103 7.263 -13.526 26.066 1.00 31.42 H new ATOM 0 HD1 TRP A 103 5.746 -15.762 28.863 1.00 14.41 H new ATOM 0 HE1 TRP A 103 7.207 -15.576 30.984 1.00 43.13 H new ATOM 0 HE3 TRP A 103 9.653 -13.087 26.890 1.00 2.23 H new ATOM 0 HZ2 TRP A 103 9.688 -14.475 31.680 1.00 4.12 H new ATOM 0 HZ3 TRP A 103 11.542 -12.509 28.363 1.00 62.20 H new ATOM 0 HH2 TRP A 103 11.568 -13.214 30.720 1.00 53.12 H new ATOM 1704 N SER A 104 3.827 -13.982 28.020 1.00 21.00 N ATOM 1705 CA SER A 104 3.093 -13.174 28.996 1.00 61.14 C ATOM 1706 C SER A 104 3.900 -13.104 30.304 1.00 32.42 C ATOM 1707 O SER A 104 3.863 -14.038 31.112 1.00 32.10 O ATOM 1708 CB SER A 104 1.701 -13.785 29.236 1.00 63.32 C ATOM 1709 OG SER A 104 0.953 -13.858 28.028 1.00 43.31 O ATOM 0 H SER A 104 3.704 -14.986 28.153 1.00 21.00 H new ATOM 0 HA SER A 104 2.957 -12.162 28.615 1.00 61.14 H new ATOM 0 HB2 SER A 104 1.808 -14.783 29.661 1.00 63.32 H new ATOM 0 HB3 SER A 104 1.159 -13.184 29.966 1.00 63.32 H new ATOM 0 HG SER A 104 0.074 -14.252 28.211 1.00 43.31 H new ATOM 1715 N LEU A 105 4.648 -12.006 30.486 1.00 41.30 N ATOM 1716 CA LEU A 105 5.562 -11.825 31.625 1.00 75.25 C ATOM 1717 C LEU A 105 4.794 -11.558 32.927 1.00 22.32 C ATOM 1718 O LEU A 105 3.777 -10.854 32.922 1.00 65.21 O ATOM 1719 CB LEU A 105 6.573 -10.680 31.360 1.00 70.34 C ATOM 1720 CG LEU A 105 7.571 -10.909 30.179 1.00 22.21 C ATOM 1721 CD1 LEU A 105 6.901 -10.755 28.803 1.00 41.35 C ATOM 1722 CD2 LEU A 105 8.803 -10.000 30.308 1.00 31.02 C ATOM 0 H LEU A 105 4.636 -11.214 29.844 1.00 41.30 H new ATOM 0 HA LEU A 105 6.116 -12.757 31.739 1.00 75.25 H new ATOM 0 HB2 LEU A 105 6.013 -9.765 31.165 1.00 70.34 H new ATOM 0 HB3 LEU A 105 7.149 -10.513 32.270 1.00 70.34 H new ATOM 0 HG LEU A 105 7.907 -11.944 30.247 1.00 22.21 H new ATOM 0 HD11 LEU A 105 7.638 -10.924 28.018 1.00 41.35 H new ATOM 0 HD12 LEU A 105 6.095 -11.483 28.707 1.00 41.35 H new ATOM 0 HD13 LEU A 105 6.494 -9.748 28.707 1.00 41.35 H new ATOM 0 HD21 LEU A 105 9.479 -10.182 29.472 1.00 31.02 H new ATOM 0 HD22 LEU A 105 8.488 -8.957 30.299 1.00 31.02 H new ATOM 0 HD23 LEU A 105 9.318 -10.215 31.244 1.00 31.02 H new ATOM 1734 N GLU A 106 5.296 -12.138 34.027 1.00 21.31 N ATOM 1735 CA GLU A 106 4.725 -11.981 35.377 1.00 5.44 C ATOM 1736 C GLU A 106 5.829 -11.597 36.382 1.00 13.15 C ATOM 1737 O GLU A 106 7.000 -11.973 36.212 1.00 53.22 O ATOM 1738 CB GLU A 106 3.998 -13.289 35.816 1.00 23.02 C ATOM 1739 CG GLU A 106 4.908 -14.536 35.958 1.00 21.23 C ATOM 1740 CD GLU A 106 4.164 -15.796 36.436 1.00 62.31 C ATOM 1741 OE1 GLU A 106 3.955 -15.945 37.658 1.00 44.50 O ATOM 1742 OE2 GLU A 106 3.799 -16.646 35.597 1.00 24.31 O ATOM 0 H GLU A 106 6.121 -12.738 34.006 1.00 21.31 H new ATOM 0 HA GLU A 106 3.989 -11.177 35.357 1.00 5.44 H new ATOM 0 HB2 GLU A 106 3.505 -13.108 36.771 1.00 23.02 H new ATOM 0 HB3 GLU A 106 3.215 -13.511 35.091 1.00 23.02 H new ATOM 0 HG2 GLU A 106 5.376 -14.745 34.996 1.00 21.23 H new ATOM 0 HG3 GLU A 106 5.711 -14.311 36.660 1.00 21.23 H new ATOM 1749 N HIS A 107 5.444 -10.829 37.418 1.00 73.00 N ATOM 1750 CA HIS A 107 6.352 -10.398 38.505 1.00 32.31 C ATOM 1751 C HIS A 107 5.538 -9.971 39.742 1.00 22.24 C ATOM 1752 O HIS A 107 5.880 -9.005 40.438 1.00 22.33 O ATOM 1753 CB HIS A 107 7.335 -9.277 38.018 1.00 44.40 C ATOM 1754 CG HIS A 107 6.686 -8.057 37.408 1.00 54.41 C ATOM 1755 ND1 HIS A 107 6.018 -7.105 38.147 1.00 24.31 N ATOM 1756 CD2 HIS A 107 6.618 -7.637 36.120 1.00 32.53 C ATOM 1757 CE1 HIS A 107 5.559 -6.167 37.342 1.00 54.12 C ATOM 1758 NE2 HIS A 107 5.908 -6.463 36.108 1.00 30.12 N ATOM 0 H HIS A 107 4.490 -10.486 37.528 1.00 73.00 H new ATOM 0 HA HIS A 107 6.974 -11.244 38.797 1.00 32.31 H new ATOM 0 HB2 HIS A 107 7.942 -8.958 38.866 1.00 44.40 H new ATOM 0 HB3 HIS A 107 8.015 -9.709 37.284 1.00 44.40 H new ATOM 0 HD1 HIS A 107 5.897 -7.123 39.160 1.00 24.31 H new ATOM 0 HD2 HIS A 107 7.044 -8.135 35.262 1.00 32.53 H new ATOM 0 HE1 HIS A 107 4.991 -5.300 37.645 1.00 54.12 H new ATOM 1767 N HIS A 108 4.466 -10.731 40.019 1.00 42.44 N ATOM 1768 CA HIS A 108 3.629 -10.553 41.221 1.00 62.43 C ATOM 1769 C HIS A 108 4.356 -11.122 42.454 1.00 43.14 C ATOM 1770 O HIS A 108 4.312 -12.330 42.712 1.00 51.21 O ATOM 1771 CB HIS A 108 2.242 -11.228 41.011 1.00 60.32 C ATOM 1772 CG HIS A 108 1.316 -11.202 42.209 1.00 14.03 C ATOM 1773 ND1 HIS A 108 0.444 -10.165 42.480 1.00 53.41 N ATOM 1774 CD2 HIS A 108 1.110 -12.115 43.197 1.00 73.32 C ATOM 1775 CE1 HIS A 108 -0.233 -10.434 43.579 1.00 52.35 C ATOM 1776 NE2 HIS A 108 0.152 -11.609 44.029 1.00 31.32 N ATOM 0 H HIS A 108 4.153 -11.490 39.414 1.00 42.44 H new ATOM 0 HA HIS A 108 3.458 -9.490 41.393 1.00 62.43 H new ATOM 0 HB2 HIS A 108 1.741 -10.737 40.176 1.00 60.32 H new ATOM 0 HB3 HIS A 108 2.403 -12.266 40.721 1.00 60.32 H new ATOM 0 HD2 HIS A 108 1.612 -13.065 43.304 1.00 73.32 H new ATOM 0 HE1 HIS A 108 -0.978 -9.797 44.033 1.00 52.35 H new ATOM 0 HE2 HIS A 108 -0.208 -12.069 44.866 1.00 31.32 H new ATOM 1785 N HIS A 109 5.057 -10.241 43.189 1.00 71.33 N ATOM 1786 CA HIS A 109 5.768 -10.595 44.429 1.00 40.12 C ATOM 1787 C HIS A 109 6.069 -9.333 45.245 1.00 32.11 C ATOM 1788 O HIS A 109 6.234 -8.244 44.682 1.00 33.14 O ATOM 1789 CB HIS A 109 7.087 -11.376 44.141 1.00 44.11 C ATOM 1790 CG HIS A 109 8.159 -10.568 43.443 1.00 0.02 C ATOM 1791 ND1 HIS A 109 9.213 -9.983 44.111 1.00 74.34 N ATOM 1792 CD2 HIS A 109 8.337 -10.256 42.136 1.00 41.04 C ATOM 1793 CE1 HIS A 109 9.985 -9.351 43.250 1.00 45.20 C ATOM 1794 NE2 HIS A 109 9.473 -9.498 42.050 1.00 2.34 N ATOM 0 H HIS A 109 5.146 -9.257 42.937 1.00 71.33 H new ATOM 0 HA HIS A 109 5.116 -11.251 45.005 1.00 40.12 H new ATOM 0 HB2 HIS A 109 7.487 -11.747 45.084 1.00 44.11 H new ATOM 0 HB3 HIS A 109 6.852 -12.247 43.530 1.00 44.11 H new ATOM 0 HD2 HIS A 109 7.700 -10.551 41.315 1.00 41.04 H new ATOM 0 HE1 HIS A 109 10.885 -8.805 43.491 1.00 45.20 H new ATOM 0 HE2 HIS A 109 9.860 -9.109 41.190 1.00 2.34 H new ATOM 1803 N HIS A 110 6.119 -9.492 46.569 1.00 31.22 N ATOM 1804 CA HIS A 110 6.589 -8.448 47.496 1.00 23.22 C ATOM 1805 C HIS A 110 7.791 -9.001 48.274 1.00 33.42 C ATOM 1806 O HIS A 110 8.941 -8.717 47.921 1.00 42.23 O ATOM 1807 CB HIS A 110 5.453 -7.979 48.460 1.00 41.13 C ATOM 1808 CG HIS A 110 4.352 -7.174 47.817 1.00 72.34 C ATOM 1809 ND1 HIS A 110 3.019 -7.513 47.903 1.00 4.20 N ATOM 1810 CD2 HIS A 110 4.388 -6.004 47.133 1.00 61.33 C ATOM 1811 CE1 HIS A 110 2.291 -6.589 47.302 1.00 64.04 C ATOM 1812 NE2 HIS A 110 3.098 -5.665 46.827 1.00 62.10 N ATOM 0 H HIS A 110 5.834 -10.353 47.036 1.00 31.22 H new ATOM 0 HA HIS A 110 6.891 -7.567 46.929 1.00 23.22 H new ATOM 0 HB2 HIS A 110 5.011 -8.858 48.929 1.00 41.13 H new ATOM 0 HB3 HIS A 110 5.898 -7.383 49.257 1.00 41.13 H new ATOM 0 HD2 HIS A 110 5.274 -5.442 46.876 1.00 61.33 H new ATOM 0 HE1 HIS A 110 1.214 -6.592 47.215 1.00 64.04 H new ATOM 0 HE2 HIS A 110 2.809 -4.832 46.314 1.00 62.10 H new ATOM 1821 N HIS A 111 7.489 -9.844 49.281 1.00 33.02 N ATOM 1822 CA HIS A 111 8.478 -10.482 50.180 1.00 43.14 C ATOM 1823 C HIS A 111 7.721 -11.292 51.254 1.00 72.04 C ATOM 1824 O HIS A 111 6.572 -10.976 51.569 1.00 54.55 O ATOM 1825 CB HIS A 111 9.399 -9.416 50.866 1.00 11.13 C ATOM 1826 CG HIS A 111 10.509 -9.988 51.717 1.00 45.32 C ATOM 1827 ND1 HIS A 111 10.349 -10.315 53.053 1.00 51.52 N ATOM 1828 CD2 HIS A 111 11.799 -10.272 51.420 1.00 71.53 C ATOM 1829 CE1 HIS A 111 11.483 -10.781 53.527 1.00 21.03 C ATOM 1830 NE2 HIS A 111 12.379 -10.767 52.564 1.00 21.34 N ATOM 0 H HIS A 111 6.528 -10.108 49.499 1.00 33.02 H new ATOM 0 HA HIS A 111 9.117 -11.139 49.590 1.00 43.14 H new ATOM 0 HB2 HIS A 111 9.841 -8.787 50.093 1.00 11.13 H new ATOM 0 HB3 HIS A 111 8.780 -8.769 51.488 1.00 11.13 H new ATOM 0 HD2 HIS A 111 12.282 -10.135 50.464 1.00 71.53 H new ATOM 0 HE1 HIS A 111 11.651 -11.119 54.539 1.00 21.03 H new ATOM 0 HE2 HIS A 111 13.348 -11.074 52.652 1.00 21.34 H new ATOM 1839 N HIS A 112 8.362 -12.327 51.812 1.00 51.13 N ATOM 1840 CA HIS A 112 7.808 -13.125 52.923 1.00 32.34 C ATOM 1841 C HIS A 112 8.905 -13.326 54.006 1.00 43.13 C ATOM 1842 O HIS A 112 9.840 -14.132 53.800 1.00 1.13 O ATOM 1843 CB HIS A 112 7.219 -14.476 52.404 1.00 74.11 C ATOM 1844 CG HIS A 112 8.087 -15.219 51.419 1.00 52.15 C ATOM 1845 ND1 HIS A 112 9.106 -16.076 51.789 1.00 43.03 N ATOM 1846 CD2 HIS A 112 8.091 -15.209 50.069 1.00 64.04 C ATOM 1847 CE1 HIS A 112 9.696 -16.549 50.711 1.00 12.32 C ATOM 1848 NE2 HIS A 112 9.095 -16.047 49.656 1.00 33.23 N ATOM 1849 OXT HIS A 112 8.861 -12.628 55.041 1.00 38.25 O ATOM 0 H HIS A 112 9.284 -12.639 51.507 1.00 51.13 H new ATOM 0 HA HIS A 112 6.977 -12.590 53.382 1.00 32.34 H new ATOM 0 HB2 HIS A 112 7.031 -15.125 53.260 1.00 74.11 H new ATOM 0 HB3 HIS A 112 6.255 -14.278 51.937 1.00 74.11 H new ATOM 0 HD2 HIS A 112 7.426 -14.645 49.432 1.00 64.04 H new ATOM 0 HE1 HIS A 112 10.532 -17.233 50.697 1.00 12.32 H new ATOM 0 HE2 HIS A 112 9.336 -16.248 48.686 1.00 33.23 H new TER 1858 HIS A 112