USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1227 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 147 LYS NZ :NH3+ 154:sc= 0.0393 (180deg=-0.142) USER MOD Set 1.2: A 151 THR OG1 : rot 78:sc= 0.682 USER MOD Set 2.1: A 110 SER OG : rot 143:sc= 0.906 USER MOD Set 2.2: A 124 SER OG : rot 79:sc= 0.527 USER MOD Set 3.1: A 99 ASN : amide:sc= -0.603 K(o=-0.11,f=-2.3) USER MOD Set 3.2: A 101 TYR OH : rot -89:sc= 0.497 USER MOD Set 4.1: A 100 ASN : amide:sc= 0.99 K(o=2.2,f=-5.1) USER MOD Set 4.2: A 102 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0) USER MOD Set 5.1: A 24 ASN : amide:sc= -0.355 K(o=-0.13,f=-0.93) USER MOD Set 5.2: A 72 ASN : amide:sc= 0.228 X(o=-0.13,f=-0.53) USER MOD Single : A 1 ALA N :NH3+ -144:sc= 1.04 (180deg=0.357) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 4 TYR OH : rot 180:sc= -0.049 USER MOD Single : A 5 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 13 THR OG1 : rot 11:sc= 0.974 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.998 K(o=-1,f=-6.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -29:sc= 0.317 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 160:sc= 0.00857 USER MOD Single : A 48 GLN : amide:sc= 0.726 K(o=0.73,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.387) USER MOD Single : A 64 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.73 X(o=-0.73,f=-0.53) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc=-0.00529 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.735 K(o=-0.74,f=-2.1) USER MOD Single : A 89 TYR OH : rot -83:sc= 0.858 USER MOD Single : A 91 SER OG : rot 80:sc= 0.536 USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.02) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-4.2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -85:sc= 0.336 USER MOD Single : A 115 SER OG : rot 142:sc= 0.915 USER MOD Single : A 117 ASN : amide:sc= -0.0298 K(o=-0.03,f=-4.1!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.548 K(o=-0.55,f=-2.2) USER MOD Single : A 126 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.4!) USER MOD Single : A 127 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.013) USER MOD Single : A 130 THR OG1 : rot 77:sc= 1 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 32:sc= 0.513 USER MOD Single : A 142 TYR OH : rot 150:sc= -0.0446 USER MOD Single : A 143 CYS SG : rot 52:sc= 0.0856 USER MOD Single : A 146 LYS NZ :NH3+ -121:sc= 1.05 (180deg=-0.752) USER MOD Single : A 150 MET CE :methyl 174:sc= 0 (180deg=-0.0244) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.830 -10.050 7.290 1.00 3.10 N ATOM 2 CA ALA A 1 -12.801 -9.167 6.607 1.00 2.63 C ATOM 3 C ALA A 1 -13.997 -9.996 6.142 1.00 1.70 C ATOM 4 O ALA A 1 -13.814 -11.180 5.885 1.00 2.16 O ATOM 5 CB ALA A 1 -12.138 -8.446 5.428 1.00 4.52 C ATOM 0 H1 ALA A 1 -11.390 -9.537 8.081 1.00 3.10 H new ATOM 0 H2 ALA A 1 -12.322 -10.891 7.654 1.00 3.10 H new ATOM 0 H3 ALA A 1 -11.094 -10.344 6.616 1.00 3.10 H new ATOM 0 HA ALA A 1 -13.150 -8.405 7.304 1.00 2.63 H new ATOM 0 HB1 ALA A 1 -12.868 -7.801 4.939 1.00 4.52 H new ATOM 0 HB2 ALA A 1 -11.307 -7.842 5.792 1.00 4.52 H new ATOM 0 HB3 ALA A 1 -11.767 -9.181 4.714 1.00 4.52 H new ATOM 11 N PRO A 2 -15.206 -9.419 6.055 1.00 2.38 N ATOM 12 CA PRO A 2 -16.408 -10.121 5.629 1.00 3.12 C ATOM 13 C PRO A 2 -16.340 -10.484 4.148 1.00 2.61 C ATOM 14 O PRO A 2 -16.779 -11.562 3.757 1.00 3.20 O ATOM 15 CB PRO A 2 -17.572 -9.165 5.912 1.00 4.88 C ATOM 16 CG PRO A 2 -16.924 -7.785 5.843 1.00 5.16 C ATOM 17 CD PRO A 2 -15.524 -8.047 6.400 1.00 3.89 C ATOM 0 HA PRO A 2 -16.528 -11.063 6.164 1.00 3.12 H new ATOM 0 HB2 PRO A 2 -18.368 -9.272 5.175 1.00 4.88 H new ATOM 0 HB3 PRO A 2 -18.016 -9.352 6.890 1.00 4.88 H new ATOM 0 HG2 PRO A 2 -16.890 -7.404 4.822 1.00 5.16 H new ATOM 0 HG3 PRO A 2 -17.467 -7.052 6.439 1.00 5.16 H new ATOM 0 HD2 PRO A 2 -14.798 -7.358 5.969 1.00 3.89 H new ATOM 0 HD3 PRO A 2 -15.500 -7.901 7.480 1.00 3.89 H new ATOM 25 N SER A 3 -15.827 -9.584 3.311 1.00 1.73 N ATOM 26 CA SER A 3 -15.642 -9.840 1.892 1.00 1.46 C ATOM 27 C SER A 3 -14.457 -9.006 1.421 1.00 1.19 C ATOM 28 O SER A 3 -13.784 -8.380 2.244 1.00 1.29 O ATOM 29 CB SER A 3 -16.922 -9.481 1.129 1.00 1.83 C ATOM 30 OG SER A 3 -18.033 -10.182 1.651 1.00 2.35 O ATOM 0 H SER A 3 -15.528 -8.654 3.604 1.00 1.73 H new ATOM 0 HA SER A 3 -15.439 -10.895 1.706 1.00 1.46 H new ATOM 0 HB2 SER A 3 -17.100 -8.408 1.195 1.00 1.83 H new ATOM 0 HB3 SER A 3 -16.800 -9.720 0.073 1.00 1.83 H new ATOM 0 HG SER A 3 -18.839 -9.937 1.151 1.00 2.35 H new ATOM 36 N TYR A 4 -14.182 -9.002 0.115 1.00 1.04 N ATOM 37 CA TYR A 4 -13.082 -8.258 -0.457 1.00 0.97 C ATOM 38 C TYR A 4 -13.624 -7.570 -1.706 1.00 0.90 C ATOM 39 O TYR A 4 -14.290 -8.231 -2.502 1.00 0.92 O ATOM 40 CB TYR A 4 -11.956 -9.242 -0.810 1.00 1.04 C ATOM 41 CG TYR A 4 -11.902 -10.538 -0.008 1.00 1.23 C ATOM 42 CD1 TYR A 4 -12.204 -11.754 -0.641 1.00 1.86 C ATOM 43 CD2 TYR A 4 -11.580 -10.545 1.362 1.00 2.26 C ATOM 44 CE1 TYR A 4 -12.113 -12.973 0.052 1.00 2.17 C ATOM 45 CE2 TYR A 4 -11.494 -11.753 2.075 1.00 2.47 C ATOM 46 CZ TYR A 4 -11.741 -12.979 1.415 1.00 1.94 C ATOM 47 OH TYR A 4 -11.623 -14.161 2.082 1.00 2.36 O ATOM 0 H TYR A 4 -14.727 -9.523 -0.572 1.00 1.04 H new ATOM 0 HA TYR A 4 -12.678 -7.516 0.231 1.00 0.97 H new ATOM 0 HB2 TYR A 4 -12.047 -9.499 -1.865 1.00 1.04 H new ATOM 0 HB3 TYR A 4 -11.003 -8.727 -0.688 1.00 1.04 H new ATOM 0 HD1 TYR A 4 -12.511 -11.753 -1.676 1.00 1.86 H new ATOM 0 HD2 TYR A 4 -11.397 -9.611 1.872 1.00 2.26 H new ATOM 0 HE1 TYR A 4 -12.327 -13.902 -0.455 1.00 2.17 H new ATOM 0 HE2 TYR A 4 -11.240 -11.745 3.125 1.00 2.47 H new ATOM 0 HH TYR A 4 -11.359 -13.988 3.010 1.00 2.36 H new ATOM 57 N HIS A 5 -13.358 -6.276 -1.899 1.00 1.01 N ATOM 58 CA HIS A 5 -13.904 -5.537 -3.030 1.00 1.05 C ATOM 59 C HIS A 5 -12.762 -4.932 -3.843 1.00 1.04 C ATOM 60 O HIS A 5 -11.986 -4.117 -3.355 1.00 1.27 O ATOM 61 CB HIS A 5 -14.901 -4.473 -2.549 1.00 1.10 C ATOM 62 CG HIS A 5 -15.962 -4.126 -3.570 1.00 1.17 C ATOM 63 ND1 HIS A 5 -17.300 -3.942 -3.294 1.00 1.49 N ATOM 64 CD2 HIS A 5 -15.798 -3.975 -4.923 1.00 1.03 C ATOM 65 CE1 HIS A 5 -17.925 -3.692 -4.459 1.00 1.49 C ATOM 66 NE2 HIS A 5 -17.052 -3.707 -5.478 1.00 1.20 N ATOM 0 H HIS A 5 -12.765 -5.721 -1.282 1.00 1.01 H new ATOM 0 HA HIS A 5 -14.456 -6.216 -3.680 1.00 1.05 H new ATOM 0 HB2 HIS A 5 -15.387 -4.828 -1.640 1.00 1.10 H new ATOM 0 HB3 HIS A 5 -14.354 -3.568 -2.285 1.00 1.10 H new ATOM 0 HD2 HIS A 5 -14.866 -4.050 -5.463 1.00 1.03 H new ATOM 0 HE1 HIS A 5 -18.984 -3.505 -4.560 1.00 1.49 H new ATOM 0 HE2 HIS A 5 -17.263 -3.553 -6.464 1.00 1.20 H new ATOM 74 N VAL A 6 -12.644 -5.354 -5.096 1.00 0.85 N ATOM 75 CA VAL A 6 -11.637 -4.846 -6.015 1.00 0.80 C ATOM 76 C VAL A 6 -12.185 -3.647 -6.795 1.00 0.90 C ATOM 77 O VAL A 6 -13.326 -3.682 -7.251 1.00 1.06 O ATOM 78 CB VAL A 6 -11.243 -6.008 -6.932 1.00 0.96 C ATOM 79 CG1 VAL A 6 -10.469 -5.543 -8.157 1.00 1.39 C ATOM 80 CG2 VAL A 6 -10.404 -7.004 -6.125 1.00 1.68 C ATOM 0 H VAL A 6 -13.251 -6.065 -5.505 1.00 0.85 H new ATOM 0 HA VAL A 6 -10.755 -4.485 -5.485 1.00 0.80 H new ATOM 0 HB VAL A 6 -12.155 -6.480 -7.298 1.00 0.96 H new ATOM 0 HG11 VAL A 6 -10.213 -6.404 -8.774 1.00 1.39 H new ATOM 0 HG12 VAL A 6 -11.083 -4.852 -8.735 1.00 1.39 H new ATOM 0 HG13 VAL A 6 -9.556 -5.039 -7.841 1.00 1.39 H new ATOM 0 HG21 VAL A 6 -10.115 -7.838 -6.764 1.00 1.68 H new ATOM 0 HG22 VAL A 6 -9.509 -6.507 -5.751 1.00 1.68 H new ATOM 0 HG23 VAL A 6 -10.990 -7.377 -5.285 1.00 1.68 H new ATOM 90 N VAL A 7 -11.369 -2.605 -6.987 1.00 0.82 N ATOM 91 CA VAL A 7 -11.767 -1.360 -7.641 1.00 1.00 C ATOM 92 C VAL A 7 -10.714 -1.009 -8.695 1.00 0.85 C ATOM 93 O VAL A 7 -9.520 -0.970 -8.408 1.00 0.75 O ATOM 94 CB VAL A 7 -11.921 -0.249 -6.585 1.00 1.20 C ATOM 95 CG1 VAL A 7 -12.238 1.107 -7.230 1.00 1.72 C ATOM 96 CG2 VAL A 7 -13.052 -0.583 -5.603 1.00 1.91 C ATOM 0 H VAL A 7 -10.395 -2.606 -6.685 1.00 0.82 H new ATOM 0 HA VAL A 7 -12.730 -1.471 -8.139 1.00 1.00 H new ATOM 0 HB VAL A 7 -10.968 -0.187 -6.059 1.00 1.20 H new ATOM 0 HG11 VAL A 7 -12.339 1.865 -6.453 1.00 1.72 H new ATOM 0 HG12 VAL A 7 -11.430 1.386 -7.906 1.00 1.72 H new ATOM 0 HG13 VAL A 7 -13.170 1.035 -7.790 1.00 1.72 H new ATOM 0 HG21 VAL A 7 -13.142 0.216 -4.867 1.00 1.91 H new ATOM 0 HG22 VAL A 7 -13.990 -0.681 -6.149 1.00 1.91 H new ATOM 0 HG23 VAL A 7 -12.828 -1.521 -5.095 1.00 1.91 H new ATOM 106 N ARG A 8 -11.122 -0.780 -9.946 1.00 0.92 N ATOM 107 CA ARG A 8 -10.157 -0.671 -11.037 1.00 0.76 C ATOM 108 C ARG A 8 -9.836 0.787 -11.356 1.00 0.62 C ATOM 109 O ARG A 8 -10.245 1.287 -12.407 1.00 0.98 O ATOM 110 CB ARG A 8 -10.667 -1.426 -12.272 1.00 1.02 C ATOM 111 CG ARG A 8 -9.505 -1.669 -13.245 1.00 1.95 C ATOM 112 CD ARG A 8 -9.917 -1.489 -14.707 1.00 2.39 C ATOM 113 NE ARG A 8 -9.968 -0.063 -15.065 1.00 3.89 N ATOM 114 CZ ARG A 8 -9.775 0.439 -16.291 1.00 5.30 C ATOM 115 NH1 ARG A 8 -9.741 1.758 -16.477 1.00 6.84 N ATOM 116 NH2 ARG A 8 -9.607 -0.378 -17.333 1.00 5.71 N ATOM 0 H ARG A 8 -12.097 -0.668 -10.223 1.00 0.92 H new ATOM 0 HA ARG A 8 -9.223 -1.134 -10.719 1.00 0.76 H new ATOM 0 HB2 ARG A 8 -11.108 -2.377 -11.973 1.00 1.02 H new ATOM 0 HB3 ARG A 8 -11.452 -0.851 -12.764 1.00 1.02 H new ATOM 0 HG2 ARG A 8 -8.691 -0.982 -13.013 1.00 1.95 H new ATOM 0 HG3 ARG A 8 -9.120 -2.679 -13.101 1.00 1.95 H new ATOM 0 HD2 ARG A 8 -9.209 -2.006 -15.355 1.00 2.39 H new ATOM 0 HD3 ARG A 8 -10.893 -1.945 -14.873 1.00 2.39 H new ATOM 0 HE ARG A 8 -10.167 0.599 -14.315 1.00 3.89 H new ATOM 0 HH11 ARG A 8 -9.862 2.388 -15.684 1.00 6.84 H new ATOM 0 HH12 ARG A 8 -9.594 2.138 -17.412 1.00 6.84 H new ATOM 0 HH21 ARG A 8 -9.625 -1.389 -17.197 1.00 5.71 H new ATOM 0 HH22 ARG A 8 -9.460 0.008 -18.266 1.00 5.71 H new ATOM 130 N GLY A 9 -9.068 1.458 -10.499 1.00 0.65 N ATOM 131 CA GLY A 9 -8.634 2.816 -10.707 1.00 0.68 C ATOM 132 C GLY A 9 -7.191 2.940 -10.242 1.00 0.76 C ATOM 133 O GLY A 9 -6.568 1.973 -9.803 1.00 1.28 O ATOM 0 H GLY A 9 -8.729 1.054 -9.626 1.00 0.65 H new ATOM 0 HA2 GLY A 9 -8.716 3.082 -11.761 1.00 0.68 H new ATOM 0 HA3 GLY A 9 -9.271 3.506 -10.153 1.00 0.68 H new ATOM 137 N ASP A 10 -6.684 4.157 -10.354 1.00 0.87 N ATOM 138 CA ASP A 10 -5.377 4.570 -9.879 1.00 0.90 C ATOM 139 C ASP A 10 -5.540 5.102 -8.457 1.00 0.68 C ATOM 140 O ASP A 10 -6.651 5.313 -7.969 1.00 0.63 O ATOM 141 CB ASP A 10 -4.788 5.648 -10.811 1.00 1.28 C ATOM 142 CG ASP A 10 -3.996 5.041 -11.975 1.00 1.96 C ATOM 143 OD1 ASP A 10 -3.086 4.233 -11.684 1.00 3.26 O ATOM 144 OD2 ASP A 10 -4.276 5.404 -13.139 1.00 2.54 O ATOM 0 H ASP A 10 -7.198 4.917 -10.799 1.00 0.87 H new ATOM 0 HA ASP A 10 -4.686 3.727 -9.878 1.00 0.90 H new ATOM 0 HB2 ASP A 10 -5.596 6.264 -11.206 1.00 1.28 H new ATOM 0 HB3 ASP A 10 -4.137 6.306 -10.236 1.00 1.28 H new ATOM 149 N ILE A 11 -4.421 5.355 -7.784 1.00 0.64 N ATOM 150 CA ILE A 11 -4.414 5.830 -6.404 1.00 0.55 C ATOM 151 C ILE A 11 -5.123 7.180 -6.282 1.00 0.51 C ATOM 152 O ILE A 11 -5.879 7.421 -5.348 1.00 0.52 O ATOM 153 CB ILE A 11 -2.965 5.817 -5.877 1.00 0.71 C ATOM 154 CG1 ILE A 11 -2.864 6.103 -4.378 1.00 2.17 C ATOM 155 CG2 ILE A 11 -1.974 6.660 -6.686 1.00 1.74 C ATOM 156 CD1 ILE A 11 -2.948 7.572 -3.957 1.00 3.89 C ATOM 0 H ILE A 11 -3.490 5.236 -8.182 1.00 0.64 H new ATOM 0 HA ILE A 11 -4.989 5.161 -5.765 1.00 0.55 H new ATOM 0 HB ILE A 11 -2.651 4.784 -6.030 1.00 0.71 H new ATOM 0 HG12 ILE A 11 -3.660 5.557 -3.872 1.00 2.17 H new ATOM 0 HG13 ILE A 11 -1.919 5.698 -4.016 1.00 2.17 H new ATOM 0 HG21 ILE A 11 -0.983 6.587 -6.238 1.00 1.74 H new ATOM 0 HG22 ILE A 11 -1.936 6.293 -7.712 1.00 1.74 H new ATOM 0 HG23 ILE A 11 -2.297 7.701 -6.685 1.00 1.74 H new ATOM 0 HD11 ILE A 11 -2.864 7.645 -2.873 1.00 3.89 H new ATOM 0 HD12 ILE A 11 -2.136 8.131 -4.422 1.00 3.89 H new ATOM 0 HD13 ILE A 11 -3.904 7.988 -4.276 1.00 3.89 H new ATOM 168 N ALA A 12 -4.937 8.042 -7.276 1.00 0.56 N ATOM 169 CA ALA A 12 -5.542 9.365 -7.342 1.00 0.59 C ATOM 170 C ALA A 12 -7.070 9.302 -7.436 1.00 0.59 C ATOM 171 O ALA A 12 -7.728 10.323 -7.253 1.00 0.66 O ATOM 172 CB ALA A 12 -4.965 10.128 -8.541 1.00 0.72 C ATOM 0 H ALA A 12 -4.345 7.833 -8.080 1.00 0.56 H new ATOM 0 HA ALA A 12 -5.303 9.889 -6.417 1.00 0.59 H new ATOM 0 HB1 ALA A 12 -5.416 11.119 -8.593 1.00 0.72 H new ATOM 0 HB2 ALA A 12 -3.886 10.226 -8.425 1.00 0.72 H new ATOM 0 HB3 ALA A 12 -5.183 9.582 -9.459 1.00 0.72 H new ATOM 178 N THR A 13 -7.636 8.127 -7.727 1.00 0.60 N ATOM 179 CA THR A 13 -9.075 7.926 -7.821 1.00 0.65 C ATOM 180 C THR A 13 -9.588 7.002 -6.713 1.00 0.55 C ATOM 181 O THR A 13 -10.791 6.768 -6.635 1.00 0.52 O ATOM 182 CB THR A 13 -9.432 7.390 -9.217 1.00 0.79 C ATOM 183 OG1 THR A 13 -8.604 6.304 -9.591 1.00 0.81 O ATOM 184 CG2 THR A 13 -9.248 8.482 -10.270 1.00 0.82 C ATOM 0 H THR A 13 -7.095 7.281 -7.905 1.00 0.60 H new ATOM 0 HA THR A 13 -9.572 8.886 -7.680 1.00 0.65 H new ATOM 0 HB THR A 13 -10.470 7.062 -9.167 1.00 0.79 H new ATOM 0 HG1 THR A 13 -8.084 6.007 -8.815 1.00 0.81 H new ATOM 0 HG21 THR A 13 -9.505 8.087 -11.253 1.00 0.82 H new ATOM 0 HG22 THR A 13 -9.898 9.325 -10.037 1.00 0.82 H new ATOM 0 HG23 THR A 13 -8.210 8.814 -10.272 1.00 0.82 H new ATOM 192 N ALA A 14 -8.708 6.504 -5.838 1.00 0.52 N ATOM 193 CA ALA A 14 -9.040 5.603 -4.744 1.00 0.46 C ATOM 194 C ALA A 14 -9.546 6.422 -3.557 1.00 0.45 C ATOM 195 O ALA A 14 -8.980 6.396 -2.470 1.00 0.49 O ATOM 196 CB ALA A 14 -7.787 4.805 -4.370 1.00 0.46 C ATOM 0 H ALA A 14 -7.714 6.728 -5.879 1.00 0.52 H new ATOM 0 HA ALA A 14 -9.825 4.907 -5.040 1.00 0.46 H new ATOM 0 HB1 ALA A 14 -8.020 4.125 -3.551 1.00 0.46 H new ATOM 0 HB2 ALA A 14 -7.450 4.231 -5.233 1.00 0.46 H new ATOM 0 HB3 ALA A 14 -6.998 5.490 -4.059 1.00 0.46 H new ATOM 202 N THR A 15 -10.602 7.199 -3.768 1.00 0.49 N ATOM 203 CA THR A 15 -11.105 8.181 -2.825 1.00 0.58 C ATOM 204 C THR A 15 -11.932 7.573 -1.679 1.00 0.59 C ATOM 205 O THR A 15 -12.810 8.245 -1.138 1.00 0.79 O ATOM 206 CB THR A 15 -11.886 9.245 -3.610 1.00 0.72 C ATOM 207 OG1 THR A 15 -12.974 8.706 -4.336 1.00 1.12 O ATOM 208 CG2 THR A 15 -10.971 9.984 -4.591 1.00 1.07 C ATOM 0 H THR A 15 -11.147 7.159 -4.629 1.00 0.49 H new ATOM 0 HA THR A 15 -10.256 8.641 -2.320 1.00 0.58 H new ATOM 0 HB THR A 15 -12.278 9.934 -2.862 1.00 0.72 H new ATOM 0 HG1 THR A 15 -13.436 9.425 -4.815 1.00 1.12 H new ATOM 0 HG21 THR A 15 -11.549 10.732 -5.134 1.00 1.07 H new ATOM 0 HG22 THR A 15 -10.168 10.475 -4.041 1.00 1.07 H new ATOM 0 HG23 THR A 15 -10.544 9.272 -5.297 1.00 1.07 H new ATOM 216 N GLU A 16 -11.608 6.355 -1.235 1.00 0.56 N ATOM 217 CA GLU A 16 -12.257 5.568 -0.184 1.00 0.61 C ATOM 218 C GLU A 16 -12.051 6.116 1.237 1.00 0.67 C ATOM 219 O GLU A 16 -11.984 5.369 2.212 1.00 0.72 O ATOM 220 CB GLU A 16 -11.725 4.126 -0.278 1.00 0.61 C ATOM 221 CG GLU A 16 -12.471 3.238 -1.285 1.00 0.70 C ATOM 222 CD GLU A 16 -11.911 3.283 -2.711 1.00 1.99 C ATOM 223 OE1 GLU A 16 -11.894 2.209 -3.350 1.00 3.02 O ATOM 224 OE2 GLU A 16 -11.490 4.378 -3.147 1.00 3.20 O ATOM 0 H GLU A 16 -10.817 5.852 -1.637 1.00 0.56 H new ATOM 0 HA GLU A 16 -13.332 5.618 -0.354 1.00 0.61 H new ATOM 0 HB2 GLU A 16 -10.670 4.158 -0.552 1.00 0.61 H new ATOM 0 HB3 GLU A 16 -11.784 3.665 0.708 1.00 0.61 H new ATOM 0 HG2 GLU A 16 -12.445 2.208 -0.930 1.00 0.70 H new ATOM 0 HG3 GLU A 16 -13.518 3.540 -1.310 1.00 0.70 H new ATOM 231 N GLY A 17 -11.927 7.426 1.412 1.00 0.72 N ATOM 232 CA GLY A 17 -11.665 8.012 2.712 1.00 0.77 C ATOM 233 C GLY A 17 -10.168 8.023 2.966 1.00 0.76 C ATOM 234 O GLY A 17 -9.623 9.056 3.347 1.00 0.89 O ATOM 0 H GLY A 17 -12.006 8.107 0.656 1.00 0.72 H new ATOM 0 HA2 GLY A 17 -12.060 9.027 2.752 1.00 0.77 H new ATOM 0 HA3 GLY A 17 -12.173 7.442 3.490 1.00 0.77 H new ATOM 238 N VAL A 18 -9.521 6.878 2.747 1.00 0.65 N ATOM 239 CA VAL A 18 -8.158 6.603 3.148 1.00 0.66 C ATOM 240 C VAL A 18 -7.492 5.834 2.024 1.00 0.56 C ATOM 241 O VAL A 18 -8.122 4.995 1.379 1.00 0.59 O ATOM 242 CB VAL A 18 -8.170 5.758 4.425 1.00 0.83 C ATOM 243 CG1 VAL A 18 -6.752 5.409 4.900 1.00 0.89 C ATOM 244 CG2 VAL A 18 -8.897 6.495 5.545 1.00 1.30 C ATOM 0 H VAL A 18 -9.957 6.091 2.266 1.00 0.65 H new ATOM 0 HA VAL A 18 -7.615 7.528 3.344 1.00 0.66 H new ATOM 0 HB VAL A 18 -8.691 4.832 4.184 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -6.810 4.809 5.808 1.00 0.89 H new ATOM 0 HG12 VAL A 18 -6.237 4.843 4.124 1.00 0.89 H new ATOM 0 HG13 VAL A 18 -6.201 6.327 5.106 1.00 0.89 H new ATOM 0 HG21 VAL A 18 -8.896 5.880 6.445 1.00 1.30 H new ATOM 0 HG22 VAL A 18 -8.390 7.438 5.749 1.00 1.30 H new ATOM 0 HG23 VAL A 18 -9.925 6.694 5.242 1.00 1.30 H new ATOM 254 N ILE A 19 -6.209 6.120 1.823 1.00 0.52 N ATOM 255 CA ILE A 19 -5.397 5.585 0.754 1.00 0.54 C ATOM 256 C ILE A 19 -4.023 5.328 1.349 1.00 0.51 C ATOM 257 O ILE A 19 -3.562 6.133 2.155 1.00 0.51 O ATOM 258 CB ILE A 19 -5.294 6.603 -0.399 1.00 0.59 C ATOM 259 CG1 ILE A 19 -6.599 7.393 -0.607 1.00 0.70 C ATOM 260 CG2 ILE A 19 -4.860 5.847 -1.654 1.00 1.09 C ATOM 261 CD1 ILE A 19 -6.602 8.311 -1.837 1.00 1.19 C ATOM 0 H ILE A 19 -5.693 6.758 2.430 1.00 0.52 H new ATOM 0 HA ILE A 19 -5.831 4.672 0.347 1.00 0.54 H new ATOM 0 HB ILE A 19 -4.550 7.361 -0.153 1.00 0.59 H new ATOM 0 HG12 ILE A 19 -7.425 6.687 -0.695 1.00 0.70 H new ATOM 0 HG13 ILE A 19 -6.788 7.997 0.281 1.00 0.70 H new ATOM 0 HG21 ILE A 19 -4.779 6.544 -2.488 1.00 1.09 H new ATOM 0 HG22 ILE A 19 -3.893 5.376 -1.479 1.00 1.09 H new ATOM 0 HG23 ILE A 19 -5.599 5.081 -1.891 1.00 1.09 H new ATOM 0 HD11 ILE A 19 -7.560 8.827 -1.904 1.00 1.19 H new ATOM 0 HD12 ILE A 19 -5.801 9.044 -1.746 1.00 1.19 H new ATOM 0 HD13 ILE A 19 -6.448 7.715 -2.736 1.00 1.19 H new ATOM 273 N ILE A 20 -3.353 4.250 0.949 1.00 0.54 N ATOM 274 CA ILE A 20 -2.008 3.942 1.403 1.00 0.55 C ATOM 275 C ILE A 20 -1.167 3.835 0.153 1.00 0.56 C ATOM 276 O ILE A 20 -1.617 3.275 -0.840 1.00 0.66 O ATOM 277 CB ILE A 20 -1.952 2.643 2.231 1.00 0.67 C ATOM 278 CG1 ILE A 20 -2.987 2.646 3.367 1.00 0.71 C ATOM 279 CG2 ILE A 20 -0.558 2.460 2.849 1.00 0.84 C ATOM 280 CD1 ILE A 20 -4.310 2.036 2.930 1.00 0.57 C ATOM 0 H ILE A 20 -3.734 3.564 0.297 1.00 0.54 H new ATOM 0 HA ILE A 20 -1.639 4.720 2.072 1.00 0.55 H new ATOM 0 HB ILE A 20 -2.176 1.823 1.548 1.00 0.67 H new ATOM 0 HG12 ILE A 20 -2.594 2.089 4.218 1.00 0.71 H new ATOM 0 HG13 ILE A 20 -3.153 3.669 3.705 1.00 0.71 H new ATOM 0 HG21 ILE A 20 -0.536 1.538 3.430 1.00 0.84 H new ATOM 0 HG22 ILE A 20 0.188 2.407 2.056 1.00 0.84 H new ATOM 0 HG23 ILE A 20 -0.335 3.305 3.500 1.00 0.84 H new ATOM 0 HD11 ILE A 20 -5.013 2.058 3.762 1.00 0.57 H new ATOM 0 HD12 ILE A 20 -4.717 2.608 2.096 1.00 0.57 H new ATOM 0 HD13 ILE A 20 -4.149 1.004 2.618 1.00 0.57 H new ATOM 292 N ASN A 21 0.041 4.383 0.192 1.00 0.51 N ATOM 293 CA ASN A 21 1.007 4.214 -0.874 1.00 0.61 C ATOM 294 C ASN A 21 2.368 3.909 -0.255 1.00 0.54 C ATOM 295 O ASN A 21 2.555 4.093 0.951 1.00 0.58 O ATOM 296 CB ASN A 21 1.019 5.470 -1.754 1.00 0.75 C ATOM 297 CG ASN A 21 1.310 5.117 -3.205 1.00 1.40 C ATOM 298 OD1 ASN A 21 1.977 4.131 -3.497 1.00 2.37 O ATOM 299 ND2 ASN A 21 0.820 5.910 -4.146 1.00 1.87 N ATOM 0 H ASN A 21 0.374 4.957 0.967 1.00 0.51 H new ATOM 0 HA ASN A 21 0.742 3.377 -1.520 1.00 0.61 H new ATOM 0 HB2 ASN A 21 0.056 5.976 -1.685 1.00 0.75 H new ATOM 0 HB3 ASN A 21 1.772 6.168 -1.388 1.00 0.75 H new ATOM 0 HD21 ASN A 21 0.996 5.704 -5.129 1.00 1.87 H new ATOM 0 HD22 ASN A 21 0.267 6.727 -3.887 1.00 1.87 H new ATOM 306 N ALA A 22 3.323 3.443 -1.059 1.00 0.59 N ATOM 307 CA ALA A 22 4.686 3.281 -0.591 1.00 0.63 C ATOM 308 C ALA A 22 5.300 4.653 -0.306 1.00 0.87 C ATOM 309 O ALA A 22 4.760 5.689 -0.688 1.00 1.87 O ATOM 310 CB ALA A 22 5.501 2.495 -1.620 1.00 0.92 C ATOM 0 H ALA A 22 3.173 3.174 -2.031 1.00 0.59 H new ATOM 0 HA ALA A 22 4.693 2.712 0.339 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.524 2.377 -1.261 1.00 0.92 H new ATOM 0 HB2 ALA A 22 5.052 1.512 -1.766 1.00 0.92 H new ATOM 0 HB3 ALA A 22 5.508 3.034 -2.567 1.00 0.92 H new ATOM 316 N ALA A 23 6.418 4.653 0.406 1.00 0.56 N ATOM 317 CA ALA A 23 7.079 5.850 0.877 1.00 0.76 C ATOM 318 C ALA A 23 8.555 5.534 1.090 1.00 0.68 C ATOM 319 O ALA A 23 9.445 6.106 0.464 1.00 0.69 O ATOM 320 CB ALA A 23 6.387 6.308 2.160 1.00 1.10 C ATOM 0 H ALA A 23 6.899 3.795 0.676 1.00 0.56 H new ATOM 0 HA ALA A 23 7.015 6.663 0.154 1.00 0.76 H new ATOM 0 HB1 ALA A 23 6.871 7.211 2.532 1.00 1.10 H new ATOM 0 HB2 ALA A 23 5.338 6.518 1.952 1.00 1.10 H new ATOM 0 HB3 ALA A 23 6.458 5.522 2.912 1.00 1.10 H new ATOM 326 N ASN A 24 8.824 4.540 1.936 1.00 0.73 N ATOM 327 CA ASN A 24 10.179 4.140 2.291 1.00 0.74 C ATOM 328 C ASN A 24 10.869 5.296 3.020 1.00 0.73 C ATOM 329 O ASN A 24 10.250 6.308 3.338 1.00 0.79 O ATOM 330 CB ASN A 24 10.971 3.687 1.043 1.00 0.80 C ATOM 331 CG ASN A 24 10.148 2.885 0.037 1.00 1.09 C ATOM 332 OD1 ASN A 24 10.026 1.670 0.145 1.00 1.46 O ATOM 333 ND2 ASN A 24 9.565 3.541 -0.960 1.00 1.71 N ATOM 0 H ASN A 24 8.100 3.988 2.396 1.00 0.73 H new ATOM 0 HA ASN A 24 10.141 3.281 2.961 1.00 0.74 H new ATOM 0 HB2 ASN A 24 11.376 4.567 0.544 1.00 0.80 H new ATOM 0 HB3 ASN A 24 11.820 3.084 1.364 1.00 0.80 H new ATOM 0 HD21 ASN A 24 9.008 3.034 -1.647 1.00 1.71 H new ATOM 0 HD22 ASN A 24 9.675 4.552 -1.038 1.00 1.71 H new ATOM 340 N SER A 25 12.179 5.184 3.237 1.00 0.81 N ATOM 341 CA SER A 25 12.959 6.251 3.855 1.00 0.96 C ATOM 342 C SER A 25 12.902 7.563 3.076 1.00 1.07 C ATOM 343 O SER A 25 13.192 8.615 3.629 1.00 1.26 O ATOM 344 CB SER A 25 14.414 5.807 3.985 1.00 1.19 C ATOM 345 OG SER A 25 14.465 4.472 4.436 1.00 1.43 O ATOM 0 H SER A 25 12.724 4.358 2.991 1.00 0.81 H new ATOM 0 HA SER A 25 12.519 6.439 4.834 1.00 0.96 H new ATOM 0 HB2 SER A 25 14.919 5.895 3.023 1.00 1.19 H new ATOM 0 HB3 SER A 25 14.942 6.457 4.683 1.00 1.19 H new ATOM 0 HG SER A 25 15.400 4.189 4.517 1.00 1.43 H new ATOM 351 N LYS A 26 12.582 7.500 1.781 1.00 1.06 N ATOM 352 CA LYS A 26 12.546 8.656 0.900 1.00 1.27 C ATOM 353 C LYS A 26 11.150 9.277 0.823 1.00 1.23 C ATOM 354 O LYS A 26 10.943 10.188 0.032 1.00 1.48 O ATOM 355 CB LYS A 26 12.986 8.234 -0.507 1.00 1.30 C ATOM 356 CG LYS A 26 14.308 7.448 -0.533 1.00 1.48 C ATOM 357 CD LYS A 26 14.079 5.965 -0.857 1.00 1.98 C ATOM 358 CE LYS A 26 15.403 5.214 -1.042 1.00 2.02 C ATOM 359 NZ LYS A 26 16.126 5.011 0.233 1.00 4.09 N ATOM 0 H LYS A 26 12.338 6.627 1.314 1.00 1.06 H new ATOM 0 HA LYS A 26 13.224 9.406 1.308 1.00 1.27 H new ATOM 0 HB2 LYS A 26 12.202 7.624 -0.955 1.00 1.30 H new ATOM 0 HB3 LYS A 26 13.091 9.124 -1.127 1.00 1.30 H new ATOM 0 HG2 LYS A 26 14.976 7.884 -1.276 1.00 1.48 H new ATOM 0 HG3 LYS A 26 14.804 7.537 0.434 1.00 1.48 H new ATOM 0 HD2 LYS A 26 13.507 5.501 -0.054 1.00 1.98 H new ATOM 0 HD3 LYS A 26 13.482 5.879 -1.765 1.00 1.98 H new ATOM 0 HE2 LYS A 26 15.206 4.245 -1.502 1.00 2.02 H new ATOM 0 HE3 LYS A 26 16.039 5.770 -1.731 1.00 2.02 H new ATOM 0 HZ1 LYS A 26 17.013 4.499 0.051 1.00 4.09 H new ATOM 0 HZ2 LYS A 26 16.340 5.934 0.661 1.00 4.09 H new ATOM 0 HZ3 LYS A 26 15.533 4.457 0.884 1.00 4.09 H new ATOM 373 N GLY A 27 10.164 8.741 1.542 1.00 1.08 N ATOM 374 CA GLY A 27 8.801 9.249 1.505 1.00 1.18 C ATOM 375 C GLY A 27 8.122 9.106 0.139 1.00 1.22 C ATOM 376 O GLY A 27 7.044 9.665 -0.056 1.00 1.49 O ATOM 0 H GLY A 27 10.292 7.943 2.165 1.00 1.08 H new ATOM 0 HA2 GLY A 27 8.207 8.722 2.252 1.00 1.18 H new ATOM 0 HA3 GLY A 27 8.808 10.302 1.788 1.00 1.18 H new ATOM 380 N GLN A 28 8.726 8.386 -0.811 1.00 1.06 N ATOM 381 CA GLN A 28 8.285 8.335 -2.190 1.00 1.12 C ATOM 382 C GLN A 28 7.523 7.039 -2.467 1.00 1.08 C ATOM 383 O GLN A 28 8.046 5.948 -2.214 1.00 1.28 O ATOM 384 CB GLN A 28 9.508 8.431 -3.113 1.00 1.44 C ATOM 385 CG GLN A 28 9.101 8.473 -4.594 1.00 1.51 C ATOM 386 CD GLN A 28 10.324 8.502 -5.503 1.00 2.01 C ATOM 387 OE1 GLN A 28 11.067 9.472 -5.532 1.00 1.98 O ATOM 388 NE2 GLN A 28 10.561 7.437 -6.261 1.00 3.18 N ATOM 0 H GLN A 28 9.551 7.814 -0.630 1.00 1.06 H new ATOM 0 HA GLN A 28 7.613 9.172 -2.379 1.00 1.12 H new ATOM 0 HB2 GLN A 28 10.080 9.326 -2.867 1.00 1.44 H new ATOM 0 HB3 GLN A 28 10.163 7.577 -2.940 1.00 1.44 H new ATOM 0 HG2 GLN A 28 8.490 7.602 -4.830 1.00 1.51 H new ATOM 0 HG3 GLN A 28 8.486 9.354 -4.780 1.00 1.51 H new ATOM 0 HE21 GLN A 28 9.931 6.635 -6.225 1.00 3.18 H new ATOM 0 HE22 GLN A 28 11.373 7.421 -6.879 1.00 3.18 H new ATOM 397 N PRO A 29 6.329 7.136 -3.065 1.00 0.96 N ATOM 398 CA PRO A 29 5.616 5.982 -3.569 1.00 1.00 C ATOM 399 C PRO A 29 6.333 5.425 -4.793 1.00 1.13 C ATOM 400 O PRO A 29 6.106 5.849 -5.928 1.00 1.69 O ATOM 401 CB PRO A 29 4.194 6.465 -3.834 1.00 1.00 C ATOM 402 CG PRO A 29 4.347 7.955 -4.108 1.00 0.96 C ATOM 403 CD PRO A 29 5.566 8.356 -3.280 1.00 0.94 C ATOM 0 HA PRO A 29 5.582 5.148 -2.868 1.00 1.00 H new ATOM 0 HB2 PRO A 29 3.750 5.948 -4.685 1.00 1.00 H new ATOM 0 HB3 PRO A 29 3.546 6.283 -2.977 1.00 1.00 H new ATOM 0 HG2 PRO A 29 4.502 8.153 -5.169 1.00 0.96 H new ATOM 0 HG3 PRO A 29 3.459 8.510 -3.807 1.00 0.96 H new ATOM 0 HD2 PRO A 29 6.164 9.102 -3.803 1.00 0.94 H new ATOM 0 HD3 PRO A 29 5.264 8.799 -2.331 1.00 0.94 H new ATOM 411 N GLY A 30 7.223 4.464 -4.543 1.00 0.95 N ATOM 412 CA GLY A 30 7.916 3.732 -5.587 1.00 1.12 C ATOM 413 C GLY A 30 6.900 3.026 -6.477 1.00 1.91 C ATOM 414 O GLY A 30 6.152 2.175 -6.007 1.00 2.78 O ATOM 0 H GLY A 30 7.481 4.174 -3.600 1.00 0.95 H new ATOM 0 HA2 GLY A 30 8.523 4.414 -6.182 1.00 1.12 H new ATOM 0 HA3 GLY A 30 8.595 3.003 -5.145 1.00 1.12 H new ATOM 418 N GLY A 31 6.860 3.381 -7.760 1.00 2.02 N ATOM 419 CA GLY A 31 5.936 2.769 -8.697 1.00 3.02 C ATOM 420 C GLY A 31 5.859 3.605 -9.963 1.00 2.20 C ATOM 421 O GLY A 31 6.253 3.156 -11.032 1.00 2.81 O ATOM 0 H GLY A 31 7.463 4.094 -8.171 1.00 2.02 H new ATOM 0 HA2 GLY A 31 6.264 1.758 -8.937 1.00 3.02 H new ATOM 0 HA3 GLY A 31 4.948 2.685 -8.245 1.00 3.02 H new ATOM 425 N GLY A 32 5.354 4.832 -9.839 1.00 1.79 N ATOM 426 CA GLY A 32 5.191 5.718 -10.986 1.00 1.51 C ATOM 427 C GLY A 32 4.061 6.704 -10.738 1.00 1.20 C ATOM 428 O GLY A 32 4.192 7.893 -11.017 1.00 1.27 O ATOM 0 H GLY A 32 5.051 5.234 -8.952 1.00 1.79 H new ATOM 0 HA2 GLY A 32 6.119 6.258 -11.171 1.00 1.51 H new ATOM 0 HA3 GLY A 32 4.980 5.131 -11.880 1.00 1.51 H new ATOM 432 N VAL A 33 2.969 6.234 -10.131 1.00 1.23 N ATOM 433 CA VAL A 33 1.817 7.074 -9.821 1.00 1.18 C ATOM 434 C VAL A 33 2.147 8.165 -8.795 1.00 0.98 C ATOM 435 O VAL A 33 1.280 8.977 -8.496 1.00 0.85 O ATOM 436 CB VAL A 33 0.588 6.233 -9.407 1.00 1.74 C ATOM 437 CG1 VAL A 33 -0.689 6.940 -9.885 1.00 3.11 C ATOM 438 CG2 VAL A 33 0.577 4.820 -10.009 1.00 3.39 C ATOM 0 H VAL A 33 2.861 5.262 -9.842 1.00 1.23 H new ATOM 0 HA VAL A 33 1.551 7.593 -10.742 1.00 1.18 H new ATOM 0 HB VAL A 33 0.637 6.139 -8.322 1.00 1.74 H new ATOM 0 HG11 VAL A 33 -1.560 6.352 -9.596 1.00 3.11 H new ATOM 0 HG12 VAL A 33 -0.750 7.928 -9.429 1.00 3.11 H new ATOM 0 HG13 VAL A 33 -0.664 7.042 -10.970 1.00 3.11 H new ATOM 0 HG21 VAL A 33 -0.314 4.289 -9.675 1.00 3.39 H new ATOM 0 HG22 VAL A 33 0.572 4.888 -11.097 1.00 3.39 H new ATOM 0 HG23 VAL A 33 1.465 4.279 -9.683 1.00 3.39 H new ATOM 448 N CYS A 34 3.393 8.271 -8.313 1.00 1.08 N ATOM 449 CA CYS A 34 3.903 9.458 -7.667 1.00 1.13 C ATOM 450 C CYS A 34 3.527 10.717 -8.444 1.00 1.03 C ATOM 451 O CYS A 34 3.082 11.693 -7.858 1.00 1.09 O ATOM 452 CB CYS A 34 5.422 9.315 -7.519 1.00 1.40 C ATOM 453 SG CYS A 34 6.364 9.224 -9.072 1.00 3.70 S ATOM 0 H CYS A 34 4.075 7.515 -8.369 1.00 1.08 H new ATOM 0 HA CYS A 34 3.453 9.562 -6.680 1.00 1.13 H new ATOM 0 HB2 CYS A 34 5.793 10.161 -6.940 1.00 1.40 H new ATOM 0 HB3 CYS A 34 5.628 8.416 -6.938 1.00 1.40 H new ATOM 0 HG CYS A 34 5.622 8.694 -9.999 1.00 3.70 H new ATOM 459 N GLY A 35 3.695 10.681 -9.764 1.00 1.00 N ATOM 460 CA GLY A 35 3.416 11.798 -10.656 1.00 1.04 C ATOM 461 C GLY A 35 1.936 12.185 -10.684 1.00 0.94 C ATOM 462 O GLY A 35 1.599 13.365 -10.647 1.00 1.03 O ATOM 0 H GLY A 35 4.037 9.853 -10.252 1.00 1.00 H new ATOM 0 HA2 GLY A 35 4.006 12.660 -10.345 1.00 1.04 H new ATOM 0 HA3 GLY A 35 3.737 11.539 -11.665 1.00 1.04 H new ATOM 466 N ALA A 36 1.023 11.216 -10.771 1.00 0.82 N ATOM 467 CA ALA A 36 -0.399 11.549 -10.800 1.00 0.78 C ATOM 468 C ALA A 36 -0.817 12.086 -9.434 1.00 0.71 C ATOM 469 O ALA A 36 -1.511 13.097 -9.329 1.00 0.75 O ATOM 470 CB ALA A 36 -1.235 10.329 -11.207 1.00 0.83 C ATOM 0 H ALA A 36 1.236 10.220 -10.821 1.00 0.82 H new ATOM 0 HA ALA A 36 -0.577 12.322 -11.548 1.00 0.78 H new ATOM 0 HB1 ALA A 36 -2.291 10.600 -11.222 1.00 0.83 H new ATOM 0 HB2 ALA A 36 -0.932 9.995 -12.199 1.00 0.83 H new ATOM 0 HB3 ALA A 36 -1.077 9.524 -10.489 1.00 0.83 H new ATOM 476 N LEU A 37 -0.361 11.413 -8.378 1.00 0.67 N ATOM 477 CA LEU A 37 -0.634 11.798 -7.009 1.00 0.67 C ATOM 478 C LEU A 37 -0.079 13.178 -6.707 1.00 0.81 C ATOM 479 O LEU A 37 -0.695 13.925 -5.974 1.00 1.00 O ATOM 480 CB LEU A 37 -0.067 10.742 -6.052 1.00 0.73 C ATOM 481 CG LEU A 37 -0.529 10.946 -4.602 1.00 0.75 C ATOM 482 CD1 LEU A 37 -2.056 10.884 -4.526 1.00 0.75 C ATOM 483 CD2 LEU A 37 0.059 9.832 -3.732 1.00 0.87 C ATOM 0 H LEU A 37 0.215 10.575 -8.459 1.00 0.67 H new ATOM 0 HA LEU A 37 -1.713 11.851 -6.866 1.00 0.67 H new ATOM 0 HB2 LEU A 37 -0.371 9.751 -6.390 1.00 0.73 H new ATOM 0 HB3 LEU A 37 1.022 10.771 -6.089 1.00 0.73 H new ATOM 0 HG LEU A 37 -0.191 11.920 -4.249 1.00 0.75 H new ATOM 0 HD11 LEU A 37 -2.375 11.030 -3.494 1.00 0.75 H new ATOM 0 HD12 LEU A 37 -2.484 11.667 -5.152 1.00 0.75 H new ATOM 0 HD13 LEU A 37 -2.399 9.911 -4.878 1.00 0.75 H new ATOM 0 HD21 LEU A 37 -0.263 9.968 -2.700 1.00 0.87 H new ATOM 0 HD22 LEU A 37 -0.288 8.865 -4.096 1.00 0.87 H new ATOM 0 HD23 LEU A 37 1.147 9.869 -3.780 1.00 0.87 H new ATOM 495 N TYR A 38 1.050 13.548 -7.295 1.00 0.85 N ATOM 496 CA TYR A 38 1.605 14.889 -7.239 1.00 1.00 C ATOM 497 C TYR A 38 0.687 15.865 -7.962 1.00 1.01 C ATOM 498 O TYR A 38 0.468 16.979 -7.500 1.00 1.13 O ATOM 499 CB TYR A 38 2.977 14.828 -7.914 1.00 1.10 C ATOM 500 CG TYR A 38 3.660 16.122 -8.324 1.00 1.37 C ATOM 501 CD1 TYR A 38 4.530 16.110 -9.430 1.00 2.92 C ATOM 502 CD2 TYR A 38 3.460 17.319 -7.614 1.00 1.87 C ATOM 503 CE1 TYR A 38 5.201 17.281 -9.821 1.00 3.26 C ATOM 504 CE2 TYR A 38 4.120 18.499 -8.000 1.00 2.18 C ATOM 505 CZ TYR A 38 5.001 18.482 -9.105 1.00 2.29 C ATOM 506 OH TYR A 38 5.666 19.609 -9.485 1.00 2.80 O ATOM 0 H TYR A 38 1.621 12.902 -7.840 1.00 0.85 H new ATOM 0 HA TYR A 38 1.700 15.236 -6.210 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.651 14.301 -7.239 1.00 1.10 H new ATOM 0 HB3 TYR A 38 2.876 14.213 -8.808 1.00 1.10 H new ATOM 0 HD1 TYR A 38 4.683 15.194 -9.982 1.00 2.92 H new ATOM 0 HD2 TYR A 38 2.793 17.332 -6.764 1.00 1.87 H new ATOM 0 HE1 TYR A 38 5.870 17.263 -10.669 1.00 3.26 H new ATOM 0 HE2 TYR A 38 3.954 19.416 -7.454 1.00 2.18 H new ATOM 0 HH TYR A 38 5.419 20.350 -8.893 1.00 2.80 H new ATOM 516 N LYS A 39 0.160 15.479 -9.123 1.00 0.94 N ATOM 517 CA LYS A 39 -0.522 16.419 -9.993 1.00 1.06 C ATOM 518 C LYS A 39 -1.885 16.772 -9.416 1.00 1.10 C ATOM 519 O LYS A 39 -2.429 17.830 -9.719 1.00 1.24 O ATOM 520 CB LYS A 39 -0.585 15.812 -11.397 1.00 1.10 C ATOM 521 CG LYS A 39 -1.349 16.698 -12.379 1.00 1.22 C ATOM 522 CD LYS A 39 -1.071 16.235 -13.811 1.00 1.41 C ATOM 523 CE LYS A 39 -2.055 16.901 -14.776 1.00 1.73 C ATOM 524 NZ LYS A 39 -1.806 16.494 -16.176 1.00 2.13 N ATOM 0 H LYS A 39 0.195 14.523 -9.477 1.00 0.94 H new ATOM 0 HA LYS A 39 0.020 17.362 -10.065 1.00 1.06 H new ATOM 0 HB2 LYS A 39 0.428 15.653 -11.767 1.00 1.10 H new ATOM 0 HB3 LYS A 39 -1.063 14.834 -11.346 1.00 1.10 H new ATOM 0 HG2 LYS A 39 -2.418 16.650 -12.172 1.00 1.22 H new ATOM 0 HG3 LYS A 39 -1.047 17.738 -12.257 1.00 1.22 H new ATOM 0 HD2 LYS A 39 -0.048 16.486 -14.091 1.00 1.41 H new ATOM 0 HD3 LYS A 39 -1.163 15.151 -13.876 1.00 1.41 H new ATOM 0 HE2 LYS A 39 -3.075 16.637 -14.496 1.00 1.73 H new ATOM 0 HE3 LYS A 39 -1.971 17.984 -14.691 1.00 1.73 H new ATOM 0 HZ1 LYS A 39 -2.491 16.964 -16.801 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 -0.841 16.768 -16.451 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 -1.910 15.463 -16.262 1.00 2.13 H new ATOM 538 N LYS A 40 -2.450 15.882 -8.599 1.00 1.01 N ATOM 539 CA LYS A 40 -3.760 16.085 -7.994 1.00 1.04 C ATOM 540 C LYS A 40 -3.695 16.317 -6.492 1.00 1.07 C ATOM 541 O LYS A 40 -4.583 16.952 -5.934 1.00 1.24 O ATOM 542 CB LYS A 40 -4.614 14.871 -8.322 1.00 0.88 C ATOM 543 CG LYS A 40 -6.085 15.137 -7.974 1.00 1.05 C ATOM 544 CD LYS A 40 -7.024 14.570 -9.035 1.00 0.99 C ATOM 545 CE LYS A 40 -6.759 15.328 -10.342 1.00 1.19 C ATOM 546 NZ LYS A 40 -8.011 15.657 -11.055 1.00 1.65 N ATOM 0 H LYS A 40 -2.009 15.000 -8.340 1.00 1.01 H new ATOM 0 HA LYS A 40 -4.199 16.993 -8.406 1.00 1.04 H new ATOM 0 HB2 LYS A 40 -4.523 14.631 -9.381 1.00 0.88 H new ATOM 0 HB3 LYS A 40 -4.254 14.005 -7.766 1.00 0.88 H new ATOM 0 HG2 LYS A 40 -6.317 14.692 -7.006 1.00 1.05 H new ATOM 0 HG3 LYS A 40 -6.249 16.210 -7.878 1.00 1.05 H new ATOM 0 HD2 LYS A 40 -6.850 13.502 -9.169 1.00 0.99 H new ATOM 0 HD3 LYS A 40 -8.063 14.687 -8.728 1.00 0.99 H new ATOM 0 HE2 LYS A 40 -6.214 16.246 -10.124 1.00 1.19 H new ATOM 0 HE3 LYS A 40 -6.122 14.724 -10.988 1.00 1.19 H new ATOM 0 HZ1 LYS A 40 -7.787 16.169 -11.932 1.00 1.65 H new ATOM 0 HZ2 LYS A 40 -8.520 14.780 -11.286 1.00 1.65 H new ATOM 0 HZ3 LYS A 40 -8.609 16.254 -10.449 1.00 1.65 H new ATOM 560 N PHE A 41 -2.663 15.784 -5.852 1.00 1.02 N ATOM 561 CA PHE A 41 -2.440 15.904 -4.415 1.00 1.22 C ATOM 562 C PHE A 41 -0.964 16.254 -4.157 1.00 1.06 C ATOM 563 O PHE A 41 -0.227 15.483 -3.531 1.00 1.18 O ATOM 564 CB PHE A 41 -2.834 14.619 -3.661 1.00 1.60 C ATOM 565 CG PHE A 41 -4.225 14.052 -3.898 1.00 0.80 C ATOM 566 CD1 PHE A 41 -4.512 13.372 -5.093 1.00 0.87 C ATOM 567 CD2 PHE A 41 -5.209 14.110 -2.896 1.00 1.17 C ATOM 568 CE1 PHE A 41 -5.763 12.764 -5.299 1.00 0.61 C ATOM 569 CE2 PHE A 41 -6.473 13.535 -3.112 1.00 1.81 C ATOM 570 CZ PHE A 41 -6.751 12.857 -4.309 1.00 1.47 C ATOM 0 H PHE A 41 -1.940 15.243 -6.327 1.00 1.02 H new ATOM 0 HA PHE A 41 -3.078 16.702 -4.035 1.00 1.22 H new ATOM 0 HB2 PHE A 41 -2.110 13.846 -3.917 1.00 1.60 H new ATOM 0 HB3 PHE A 41 -2.729 14.812 -2.593 1.00 1.60 H new ATOM 0 HD1 PHE A 41 -3.760 13.315 -5.866 1.00 0.87 H new ATOM 0 HD2 PHE A 41 -4.993 14.598 -1.957 1.00 1.17 H new ATOM 0 HE1 PHE A 41 -5.962 12.228 -6.215 1.00 0.61 H new ATOM 0 HE2 PHE A 41 -7.236 13.615 -2.352 1.00 1.81 H new ATOM 0 HZ PHE A 41 -7.721 12.409 -4.467 1.00 1.47 H new ATOM 580 N PRO A 42 -0.505 17.437 -4.591 1.00 0.97 N ATOM 581 CA PRO A 42 0.865 17.890 -4.380 1.00 1.01 C ATOM 582 C PRO A 42 1.239 18.048 -2.900 1.00 1.12 C ATOM 583 O PRO A 42 2.391 18.334 -2.588 1.00 1.32 O ATOM 584 CB PRO A 42 0.977 19.222 -5.131 1.00 1.14 C ATOM 585 CG PRO A 42 -0.463 19.725 -5.186 1.00 1.18 C ATOM 586 CD PRO A 42 -1.268 18.436 -5.321 1.00 1.06 C ATOM 0 HA PRO A 42 1.567 17.144 -4.752 1.00 1.01 H new ATOM 0 HB2 PRO A 42 1.627 19.924 -4.608 1.00 1.14 H new ATOM 0 HB3 PRO A 42 1.393 19.086 -6.129 1.00 1.14 H new ATOM 0 HG2 PRO A 42 -0.733 20.278 -4.286 1.00 1.18 H new ATOM 0 HG3 PRO A 42 -0.626 20.394 -6.031 1.00 1.18 H new ATOM 0 HD2 PRO A 42 -2.269 18.550 -4.904 1.00 1.06 H new ATOM 0 HD3 PRO A 42 -1.389 18.154 -6.367 1.00 1.06 H new ATOM 594 N GLU A 43 0.303 17.861 -1.976 1.00 1.21 N ATOM 595 CA GLU A 43 0.541 17.907 -0.553 1.00 1.45 C ATOM 596 C GLU A 43 0.932 16.533 -0.003 1.00 1.45 C ATOM 597 O GLU A 43 1.634 16.456 1.000 1.00 1.86 O ATOM 598 CB GLU A 43 -0.711 18.451 0.138 1.00 1.64 C ATOM 599 CG GLU A 43 -2.023 17.793 -0.318 1.00 2.61 C ATOM 600 CD GLU A 43 -2.735 18.612 -1.379 1.00 2.84 C ATOM 601 OE1 GLU A 43 -2.447 18.363 -2.566 1.00 4.05 O ATOM 602 OE2 GLU A 43 -3.583 19.436 -0.977 1.00 3.12 O ATOM 0 H GLU A 43 -0.670 17.668 -2.213 1.00 1.21 H new ATOM 0 HA GLU A 43 1.382 18.570 -0.351 1.00 1.45 H new ATOM 0 HB2 GLU A 43 -0.605 18.315 1.214 1.00 1.64 H new ATOM 0 HB3 GLU A 43 -0.774 19.524 -0.043 1.00 1.64 H new ATOM 0 HG2 GLU A 43 -1.812 16.798 -0.710 1.00 2.61 H new ATOM 0 HG3 GLU A 43 -2.681 17.664 0.541 1.00 2.61 H new ATOM 609 N SER A 44 0.477 15.434 -0.614 1.00 1.09 N ATOM 610 CA SER A 44 0.778 14.110 -0.087 1.00 1.09 C ATOM 611 C SER A 44 2.117 13.589 -0.594 1.00 1.19 C ATOM 612 O SER A 44 2.756 12.790 0.086 1.00 1.37 O ATOM 613 CB SER A 44 -0.358 13.138 -0.396 1.00 1.13 C ATOM 614 OG SER A 44 -0.793 13.224 -1.737 1.00 1.84 O ATOM 0 H SER A 44 -0.092 15.439 -1.461 1.00 1.09 H new ATOM 0 HA SER A 44 0.865 14.194 0.996 1.00 1.09 H new ATOM 0 HB2 SER A 44 -0.027 12.120 -0.189 1.00 1.13 H new ATOM 0 HB3 SER A 44 -1.197 13.342 0.269 1.00 1.13 H new ATOM 0 HG SER A 44 -1.270 12.403 -1.980 1.00 1.84 H new ATOM 620 N PHE A 45 2.579 14.026 -1.772 1.00 1.62 N ATOM 621 CA PHE A 45 3.886 13.609 -2.274 1.00 1.98 C ATOM 622 C PHE A 45 4.998 14.464 -1.634 1.00 1.89 C ATOM 623 O PHE A 45 5.903 14.964 -2.283 1.00 2.65 O ATOM 624 CB PHE A 45 3.885 13.572 -3.817 1.00 3.05 C ATOM 625 CG PHE A 45 4.411 14.805 -4.530 1.00 2.64 C ATOM 626 CD1 PHE A 45 3.961 16.079 -4.151 1.00 2.24 C ATOM 627 CD2 PHE A 45 5.481 14.689 -5.438 1.00 4.03 C ATOM 628 CE1 PHE A 45 4.612 17.231 -4.621 1.00 3.53 C ATOM 629 CE2 PHE A 45 6.117 15.841 -5.933 1.00 4.33 C ATOM 630 CZ PHE A 45 5.699 17.111 -5.503 1.00 4.11 C ATOM 0 H PHE A 45 2.071 14.661 -2.387 1.00 1.62 H new ATOM 0 HA PHE A 45 4.104 12.585 -1.972 1.00 1.98 H new ATOM 0 HB2 PHE A 45 4.478 12.715 -4.137 1.00 3.05 H new ATOM 0 HB3 PHE A 45 2.863 13.395 -4.152 1.00 3.05 H new ATOM 0 HD1 PHE A 45 3.109 16.174 -3.494 1.00 2.24 H new ATOM 0 HD2 PHE A 45 5.814 13.712 -5.755 1.00 4.03 H new ATOM 0 HE1 PHE A 45 4.278 18.208 -4.305 1.00 3.53 H new ATOM 0 HE2 PHE A 45 6.926 15.749 -6.643 1.00 4.33 H new ATOM 0 HZ PHE A 45 6.213 17.995 -5.850 1.00 4.11 H new ATOM 640 N ASP A 46 4.966 14.619 -0.317 1.00 1.42 N ATOM 641 CA ASP A 46 5.908 15.432 0.443 1.00 2.08 C ATOM 642 C ASP A 46 7.320 14.833 0.387 1.00 1.96 C ATOM 643 O ASP A 46 8.312 15.524 0.593 1.00 2.78 O ATOM 644 CB ASP A 46 5.355 15.486 1.868 1.00 2.50 C ATOM 645 CG ASP A 46 6.092 16.447 2.797 1.00 3.57 C ATOM 646 OD1 ASP A 46 6.186 16.098 3.996 1.00 3.70 O ATOM 647 OD2 ASP A 46 6.503 17.528 2.324 1.00 4.92 O ATOM 0 H ASP A 46 4.263 14.169 0.270 1.00 1.42 H new ATOM 0 HA ASP A 46 6.004 16.437 0.031 1.00 2.08 H new ATOM 0 HB2 ASP A 46 4.305 15.775 1.826 1.00 2.50 H new ATOM 0 HB3 ASP A 46 5.393 14.485 2.297 1.00 2.50 H new ATOM 652 N LEU A 47 7.405 13.527 0.099 1.00 1.21 N ATOM 653 CA LEU A 47 8.622 12.721 -0.001 1.00 1.13 C ATOM 654 C LEU A 47 9.561 13.005 1.174 1.00 1.01 C ATOM 655 O LEU A 47 10.781 13.060 1.040 1.00 1.16 O ATOM 656 CB LEU A 47 9.306 12.820 -1.383 1.00 1.44 C ATOM 657 CG LEU A 47 8.347 13.023 -2.567 1.00 2.25 C ATOM 658 CD1 LEU A 47 8.560 14.413 -3.163 1.00 2.72 C ATOM 659 CD2 LEU A 47 8.563 11.987 -3.666 1.00 3.11 C ATOM 0 H LEU A 47 6.568 12.972 -0.082 1.00 1.21 H new ATOM 0 HA LEU A 47 8.329 11.674 0.075 1.00 1.13 H new ATOM 0 HB2 LEU A 47 10.015 13.648 -1.363 1.00 1.44 H new ATOM 0 HB3 LEU A 47 9.882 11.911 -1.553 1.00 1.44 H new ATOM 0 HG LEU A 47 7.332 12.912 -2.185 1.00 2.25 H new ATOM 0 HD11 LEU A 47 7.880 14.557 -4.003 1.00 2.72 H new ATOM 0 HD12 LEU A 47 8.363 15.169 -2.403 1.00 2.72 H new ATOM 0 HD13 LEU A 47 9.589 14.506 -3.510 1.00 2.72 H new ATOM 0 HD21 LEU A 47 7.863 12.170 -4.481 1.00 3.11 H new ATOM 0 HD22 LEU A 47 9.584 12.061 -4.040 1.00 3.11 H new ATOM 0 HD23 LEU A 47 8.396 10.988 -3.262 1.00 3.11 H new ATOM 671 N GLN A 48 8.963 13.170 2.354 1.00 0.90 N ATOM 672 CA GLN A 48 9.709 13.449 3.567 1.00 0.88 C ATOM 673 C GLN A 48 10.347 12.162 4.082 1.00 0.80 C ATOM 674 O GLN A 48 9.897 11.065 3.751 1.00 0.76 O ATOM 675 CB GLN A 48 8.790 14.059 4.643 1.00 1.04 C ATOM 676 CG GLN A 48 9.053 15.565 4.777 1.00 2.14 C ATOM 677 CD GLN A 48 8.501 16.157 6.076 1.00 2.64 C ATOM 678 OE1 GLN A 48 7.830 15.505 6.878 1.00 2.69 O ATOM 679 NE2 GLN A 48 8.874 17.398 6.365 1.00 3.65 N ATOM 0 H GLN A 48 7.954 13.113 2.489 1.00 0.90 H new ATOM 0 HA GLN A 48 10.492 14.173 3.341 1.00 0.88 H new ATOM 0 HB2 GLN A 48 7.746 13.887 4.379 1.00 1.04 H new ATOM 0 HB3 GLN A 48 8.962 13.566 5.600 1.00 1.04 H new ATOM 0 HG2 GLN A 48 10.127 15.746 4.730 1.00 2.14 H new ATOM 0 HG3 GLN A 48 8.605 16.083 3.929 1.00 2.14 H new ATOM 0 HE21 GLN A 48 9.429 17.932 5.697 1.00 3.65 H new ATOM 0 HE22 GLN A 48 8.605 17.817 7.255 1.00 3.65 H new ATOM 688 N PRO A 49 11.378 12.276 4.928 1.00 0.88 N ATOM 689 CA PRO A 49 12.011 11.119 5.518 1.00 0.96 C ATOM 690 C PRO A 49 11.033 10.452 6.482 1.00 0.92 C ATOM 691 O PRO A 49 10.372 11.126 7.272 1.00 1.11 O ATOM 692 CB PRO A 49 13.269 11.656 6.206 1.00 1.15 C ATOM 693 CG PRO A 49 12.902 13.096 6.555 1.00 1.15 C ATOM 694 CD PRO A 49 11.957 13.510 5.429 1.00 1.00 C ATOM 0 HA PRO A 49 12.287 10.351 4.795 1.00 0.96 H new ATOM 0 HB2 PRO A 49 13.516 11.078 7.097 1.00 1.15 H new ATOM 0 HB3 PRO A 49 14.136 11.612 5.547 1.00 1.15 H new ATOM 0 HG2 PRO A 49 12.417 13.161 7.529 1.00 1.15 H new ATOM 0 HG3 PRO A 49 13.783 13.736 6.594 1.00 1.15 H new ATOM 0 HD2 PRO A 49 11.183 14.185 5.795 1.00 1.00 H new ATOM 0 HD3 PRO A 49 12.494 14.038 4.641 1.00 1.00 H new ATOM 702 N ILE A 50 10.935 9.124 6.420 1.00 0.79 N ATOM 703 CA ILE A 50 10.095 8.316 7.283 1.00 0.79 C ATOM 704 C ILE A 50 10.988 7.191 7.807 1.00 0.80 C ATOM 705 O ILE A 50 12.036 6.903 7.226 1.00 0.81 O ATOM 706 CB ILE A 50 8.857 7.830 6.498 1.00 0.78 C ATOM 707 CG1 ILE A 50 7.996 9.042 6.093 1.00 0.95 C ATOM 708 CG2 ILE A 50 8.024 6.842 7.320 1.00 0.73 C ATOM 709 CD1 ILE A 50 6.785 8.663 5.238 1.00 1.14 C ATOM 0 H ILE A 50 11.458 8.569 5.743 1.00 0.79 H new ATOM 0 HA ILE A 50 9.691 8.867 8.132 1.00 0.79 H new ATOM 0 HB ILE A 50 9.201 7.309 5.605 1.00 0.78 H new ATOM 0 HG12 ILE A 50 7.652 9.552 6.993 1.00 0.95 H new ATOM 0 HG13 ILE A 50 8.614 9.751 5.542 1.00 0.95 H new ATOM 0 HG21 ILE A 50 7.161 6.521 6.737 1.00 0.73 H new ATOM 0 HG22 ILE A 50 8.634 5.975 7.574 1.00 0.73 H new ATOM 0 HG23 ILE A 50 7.684 7.326 8.235 1.00 0.73 H new ATOM 0 HD11 ILE A 50 6.221 9.561 4.987 1.00 1.14 H new ATOM 0 HD12 ILE A 50 7.124 8.179 4.322 1.00 1.14 H new ATOM 0 HD13 ILE A 50 6.146 7.978 5.795 1.00 1.14 H new ATOM 721 N GLU A 51 10.601 6.595 8.935 1.00 0.84 N ATOM 722 CA GLU A 51 11.352 5.528 9.568 1.00 0.88 C ATOM 723 C GLU A 51 11.274 4.252 8.719 1.00 0.79 C ATOM 724 O GLU A 51 10.668 4.228 7.648 1.00 0.85 O ATOM 725 CB GLU A 51 10.764 5.288 10.965 1.00 0.95 C ATOM 726 CG GLU A 51 11.815 4.809 11.974 1.00 1.07 C ATOM 727 CD GLU A 51 12.152 5.921 12.967 1.00 1.32 C ATOM 728 OE1 GLU A 51 13.112 6.667 12.675 1.00 2.41 O ATOM 729 OE2 GLU A 51 11.419 6.026 13.975 1.00 2.36 O ATOM 0 H GLU A 51 9.748 6.847 9.434 1.00 0.84 H new ATOM 0 HA GLU A 51 12.402 5.806 9.656 1.00 0.88 H new ATOM 0 HB2 GLU A 51 10.312 6.211 11.328 1.00 0.95 H new ATOM 0 HB3 GLU A 51 9.967 4.547 10.897 1.00 0.95 H new ATOM 0 HG2 GLU A 51 11.442 3.936 12.510 1.00 1.07 H new ATOM 0 HG3 GLU A 51 12.717 4.498 11.448 1.00 1.07 H new ATOM 736 N VAL A 52 11.852 3.159 9.215 1.00 0.83 N ATOM 737 CA VAL A 52 11.918 1.904 8.487 1.00 0.79 C ATOM 738 C VAL A 52 11.289 0.826 9.351 1.00 0.76 C ATOM 739 O VAL A 52 11.934 0.176 10.167 1.00 0.69 O ATOM 740 CB VAL A 52 13.372 1.614 8.085 1.00 0.86 C ATOM 741 CG1 VAL A 52 13.533 0.300 7.317 1.00 1.02 C ATOM 742 CG2 VAL A 52 13.915 2.741 7.197 1.00 1.17 C ATOM 0 H VAL A 52 12.288 3.124 10.137 1.00 0.83 H new ATOM 0 HA VAL A 52 11.356 1.944 7.554 1.00 0.79 H new ATOM 0 HB VAL A 52 13.928 1.540 9.020 1.00 0.86 H new ATOM 0 HG11 VAL A 52 14.583 0.154 7.062 1.00 1.02 H new ATOM 0 HG12 VAL A 52 13.191 -0.528 7.938 1.00 1.02 H new ATOM 0 HG13 VAL A 52 12.940 0.338 6.403 1.00 1.02 H new ATOM 0 HG21 VAL A 52 14.946 2.521 6.920 1.00 1.17 H new ATOM 0 HG22 VAL A 52 13.306 2.820 6.296 1.00 1.17 H new ATOM 0 HG23 VAL A 52 13.879 3.684 7.743 1.00 1.17 H new ATOM 752 N GLY A 53 9.982 0.688 9.175 1.00 0.94 N ATOM 753 CA GLY A 53 9.118 -0.246 9.872 1.00 0.99 C ATOM 754 C GLY A 53 7.780 0.423 10.146 1.00 0.88 C ATOM 755 O GLY A 53 6.732 -0.218 10.165 1.00 1.06 O ATOM 0 H GLY A 53 9.470 1.259 8.503 1.00 0.94 H new ATOM 0 HA2 GLY A 53 8.973 -1.144 9.272 1.00 0.99 H new ATOM 0 HA3 GLY A 53 9.580 -0.559 10.808 1.00 0.99 H new ATOM 759 N LYS A 54 7.801 1.742 10.344 1.00 0.82 N ATOM 760 CA LYS A 54 6.624 2.475 10.743 1.00 0.75 C ATOM 761 C LYS A 54 6.091 3.213 9.525 1.00 0.62 C ATOM 762 O LYS A 54 6.855 3.826 8.783 1.00 0.73 O ATOM 763 CB LYS A 54 7.004 3.395 11.909 1.00 0.97 C ATOM 764 CG LYS A 54 5.908 4.424 12.173 1.00 2.00 C ATOM 765 CD LYS A 54 5.747 4.733 13.662 1.00 2.38 C ATOM 766 CE LYS A 54 4.620 5.756 13.829 1.00 4.02 C ATOM 767 NZ LYS A 54 4.135 5.820 15.224 1.00 4.46 N ATOM 0 H LYS A 54 8.635 2.319 10.230 1.00 0.82 H new ATOM 0 HA LYS A 54 5.823 1.827 11.099 1.00 0.75 H new ATOM 0 HB2 LYS A 54 7.173 2.800 12.806 1.00 0.97 H new ATOM 0 HB3 LYS A 54 7.940 3.905 11.684 1.00 0.97 H new ATOM 0 HG2 LYS A 54 6.140 5.344 11.637 1.00 2.00 H new ATOM 0 HG3 LYS A 54 4.962 4.054 11.777 1.00 2.00 H new ATOM 0 HD2 LYS A 54 5.516 3.822 14.215 1.00 2.38 H new ATOM 0 HD3 LYS A 54 6.678 5.126 14.070 1.00 2.38 H new ATOM 0 HE2 LYS A 54 4.975 6.740 13.523 1.00 4.02 H new ATOM 0 HE3 LYS A 54 3.793 5.496 13.169 1.00 4.02 H new ATOM 0 HZ1 LYS A 54 3.373 6.524 15.295 1.00 4.46 H new ATOM 0 HZ2 LYS A 54 3.773 4.888 15.509 1.00 4.46 H new ATOM 0 HZ3 LYS A 54 4.918 6.093 15.852 1.00 4.46 H new ATOM 781 N ALA A 55 4.772 3.184 9.355 1.00 0.47 N ATOM 782 CA ALA A 55 4.087 3.983 8.355 1.00 0.37 C ATOM 783 C ALA A 55 3.613 5.269 9.033 1.00 0.45 C ATOM 784 O ALA A 55 3.304 5.271 10.226 1.00 0.58 O ATOM 785 CB ALA A 55 2.896 3.189 7.803 1.00 0.32 C ATOM 0 H ALA A 55 4.149 2.600 9.913 1.00 0.47 H new ATOM 0 HA ALA A 55 4.748 4.227 7.524 1.00 0.37 H new ATOM 0 HB1 ALA A 55 2.378 3.785 7.051 1.00 0.32 H new ATOM 0 HB2 ALA A 55 3.254 2.265 7.350 1.00 0.32 H new ATOM 0 HB3 ALA A 55 2.209 2.952 8.615 1.00 0.32 H new ATOM 791 N ARG A 56 3.559 6.368 8.283 1.00 0.41 N ATOM 792 CA ARG A 56 3.158 7.672 8.788 1.00 0.42 C ATOM 793 C ARG A 56 2.181 8.261 7.784 1.00 0.34 C ATOM 794 O ARG A 56 2.442 8.220 6.584 1.00 0.35 O ATOM 795 CB ARG A 56 4.407 8.552 8.916 1.00 0.52 C ATOM 796 CG ARG A 56 4.135 9.916 9.573 1.00 1.41 C ATOM 797 CD ARG A 56 4.799 11.025 8.752 1.00 2.21 C ATOM 798 NE ARG A 56 4.872 12.295 9.490 1.00 3.05 N ATOM 799 CZ ARG A 56 5.568 13.360 9.070 1.00 4.10 C ATOM 800 NH1 ARG A 56 5.723 14.420 9.864 1.00 4.76 N ATOM 801 NH2 ARG A 56 6.119 13.362 7.858 1.00 4.97 N ATOM 0 H ARG A 56 3.797 6.373 7.291 1.00 0.41 H new ATOM 0 HA ARG A 56 2.684 7.603 9.767 1.00 0.42 H new ATOM 0 HB2 ARG A 56 5.158 8.020 9.500 1.00 0.52 H new ATOM 0 HB3 ARG A 56 4.830 8.714 7.925 1.00 0.52 H new ATOM 0 HG2 ARG A 56 3.061 10.092 9.638 1.00 1.41 H new ATOM 0 HG3 ARG A 56 4.522 9.923 10.592 1.00 1.41 H new ATOM 0 HD2 ARG A 56 5.804 10.713 8.469 1.00 2.21 H new ATOM 0 HD3 ARG A 56 4.240 11.175 7.828 1.00 2.21 H new ATOM 0 HE ARG A 56 4.364 12.369 10.371 1.00 3.05 H new ATOM 0 HH11 ARG A 56 5.311 14.423 10.797 1.00 4.76 H new ATOM 0 HH12 ARG A 56 6.254 15.228 9.538 1.00 4.76 H new ATOM 0 HH21 ARG A 56 6.012 12.552 7.248 1.00 4.97 H new ATOM 0 HH22 ARG A 56 6.649 14.174 7.540 1.00 4.97 H new ATOM 815 N LEU A 57 1.060 8.810 8.246 1.00 0.45 N ATOM 816 CA LEU A 57 0.190 9.559 7.362 1.00 0.61 C ATOM 817 C LEU A 57 0.838 10.885 6.987 1.00 0.70 C ATOM 818 O LEU A 57 1.596 11.460 7.769 1.00 0.74 O ATOM 819 CB LEU A 57 -1.221 9.722 7.948 1.00 0.90 C ATOM 820 CG LEU A 57 -1.405 10.721 9.100 1.00 1.46 C ATOM 821 CD1 LEU A 57 -2.901 11.040 9.205 1.00 1.94 C ATOM 822 CD2 LEU A 57 -0.923 10.167 10.444 1.00 1.84 C ATOM 0 H LEU A 57 0.742 8.749 9.213 1.00 0.45 H new ATOM 0 HA LEU A 57 0.057 8.991 6.441 1.00 0.61 H new ATOM 0 HB2 LEU A 57 -1.888 10.017 7.138 1.00 0.90 H new ATOM 0 HB3 LEU A 57 -1.555 8.744 8.296 1.00 0.90 H new ATOM 0 HG LEU A 57 -0.808 11.607 8.884 1.00 1.46 H new ATOM 0 HD11 LEU A 57 -3.066 11.749 10.016 1.00 1.94 H new ATOM 0 HD12 LEU A 57 -3.247 11.475 8.267 1.00 1.94 H new ATOM 0 HD13 LEU A 57 -3.455 10.123 9.406 1.00 1.94 H new ATOM 0 HD21 LEU A 57 -1.077 10.915 11.222 1.00 1.84 H new ATOM 0 HD22 LEU A 57 -1.486 9.267 10.690 1.00 1.84 H new ATOM 0 HD23 LEU A 57 0.138 9.925 10.378 1.00 1.84 H new ATOM 834 N VAL A 58 0.522 11.369 5.790 1.00 0.85 N ATOM 835 CA VAL A 58 0.929 12.662 5.293 1.00 1.00 C ATOM 836 C VAL A 58 -0.342 13.502 5.229 1.00 1.05 C ATOM 837 O VAL A 58 -1.368 13.092 4.680 1.00 0.99 O ATOM 838 CB VAL A 58 1.668 12.524 3.951 1.00 1.08 C ATOM 839 CG1 VAL A 58 2.926 11.671 4.133 1.00 1.57 C ATOM 840 CG2 VAL A 58 0.822 11.883 2.850 1.00 1.04 C ATOM 0 H VAL A 58 -0.045 10.847 5.122 1.00 0.85 H new ATOM 0 HA VAL A 58 1.652 13.156 5.942 1.00 1.00 H new ATOM 0 HB VAL A 58 1.911 13.540 3.640 1.00 1.08 H new ATOM 0 HG11 VAL A 58 3.444 11.578 3.178 1.00 1.57 H new ATOM 0 HG12 VAL A 58 3.586 12.146 4.859 1.00 1.57 H new ATOM 0 HG13 VAL A 58 2.645 10.681 4.492 1.00 1.57 H new ATOM 0 HG21 VAL A 58 1.407 11.818 1.933 1.00 1.04 H new ATOM 0 HG22 VAL A 58 0.520 10.883 3.159 1.00 1.04 H new ATOM 0 HG23 VAL A 58 -0.065 12.491 2.672 1.00 1.04 H new ATOM 850 N LYS A 59 -0.305 14.654 5.895 1.00 1.23 N ATOM 851 CA LYS A 59 -1.472 15.502 6.046 1.00 1.31 C ATOM 852 C LYS A 59 -1.685 16.272 4.749 1.00 1.17 C ATOM 853 O LYS A 59 -1.066 17.306 4.522 1.00 1.63 O ATOM 854 CB LYS A 59 -1.288 16.413 7.274 1.00 1.84 C ATOM 855 CG LYS A 59 -0.106 17.395 7.145 1.00 3.49 C ATOM 856 CD LYS A 59 0.518 17.798 8.485 1.00 3.89 C ATOM 857 CE LYS A 59 2.020 17.493 8.427 1.00 5.38 C ATOM 858 NZ LYS A 59 2.741 18.029 9.599 1.00 6.10 N ATOM 0 H LYS A 59 0.536 15.020 6.342 1.00 1.23 H new ATOM 0 HA LYS A 59 -2.372 14.914 6.227 1.00 1.31 H new ATOM 0 HB2 LYS A 59 -2.205 16.981 7.435 1.00 1.84 H new ATOM 0 HB3 LYS A 59 -1.138 15.792 8.157 1.00 1.84 H new ATOM 0 HG2 LYS A 59 0.663 16.942 6.519 1.00 3.49 H new ATOM 0 HG3 LYS A 59 -0.447 18.293 6.630 1.00 3.49 H new ATOM 0 HD2 LYS A 59 0.353 18.858 8.677 1.00 3.89 H new ATOM 0 HD3 LYS A 59 0.050 17.249 9.302 1.00 3.89 H new ATOM 0 HE2 LYS A 59 2.169 16.415 8.372 1.00 5.38 H new ATOM 0 HE3 LYS A 59 2.441 17.919 7.517 1.00 5.38 H new ATOM 0 HZ1 LYS A 59 3.752 17.800 9.519 1.00 6.10 H new ATOM 0 HZ2 LYS A 59 2.622 19.061 9.638 1.00 6.10 H new ATOM 0 HZ3 LYS A 59 2.358 17.603 10.467 1.00 6.10 H new ATOM 872 N GLY A 60 -2.552 15.765 3.882 1.00 0.79 N ATOM 873 CA GLY A 60 -2.859 16.435 2.647 1.00 0.90 C ATOM 874 C GLY A 60 -4.144 17.227 2.829 1.00 0.81 C ATOM 875 O GLY A 60 -5.162 16.680 3.246 1.00 0.78 O ATOM 0 H GLY A 60 -3.052 14.887 4.022 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -2.042 17.099 2.364 1.00 0.90 H new ATOM 0 HA3 GLY A 60 -2.973 15.709 1.842 1.00 0.90 H new ATOM 879 N ALA A 61 -4.091 18.515 2.494 1.00 0.88 N ATOM 880 CA ALA A 61 -5.251 19.394 2.447 1.00 0.94 C ATOM 881 C ALA A 61 -6.319 18.816 1.515 1.00 0.84 C ATOM 882 O ALA A 61 -7.498 18.791 1.853 1.00 0.86 O ATOM 883 CB ALA A 61 -4.818 20.800 2.014 1.00 1.14 C ATOM 0 H ALA A 61 -3.220 18.983 2.243 1.00 0.88 H new ATOM 0 HA ALA A 61 -5.692 19.469 3.441 1.00 0.94 H new ATOM 0 HB1 ALA A 61 -5.689 21.455 1.980 1.00 1.14 H new ATOM 0 HB2 ALA A 61 -4.095 21.194 2.728 1.00 1.14 H new ATOM 0 HB3 ALA A 61 -4.362 20.752 1.025 1.00 1.14 H new ATOM 889 N ALA A 62 -5.890 18.317 0.355 1.00 0.81 N ATOM 890 CA ALA A 62 -6.751 17.664 -0.618 1.00 0.80 C ATOM 891 C ALA A 62 -7.367 16.399 -0.013 1.00 0.77 C ATOM 892 O ALA A 62 -8.573 16.182 -0.118 1.00 0.81 O ATOM 893 CB ALA A 62 -5.933 17.338 -1.877 1.00 0.83 C ATOM 0 H ALA A 62 -4.913 18.359 0.065 1.00 0.81 H new ATOM 0 HA ALA A 62 -7.568 18.330 -0.895 1.00 0.80 H new ATOM 0 HB1 ALA A 62 -6.574 16.848 -2.610 1.00 0.83 H new ATOM 0 HB2 ALA A 62 -5.535 18.260 -2.301 1.00 0.83 H new ATOM 0 HB3 ALA A 62 -5.109 16.674 -1.614 1.00 0.83 H new ATOM 899 N LYS A 63 -6.549 15.543 0.606 1.00 0.73 N ATOM 900 CA LYS A 63 -7.018 14.398 1.379 1.00 0.71 C ATOM 901 C LYS A 63 -5.869 13.949 2.272 1.00 0.73 C ATOM 902 O LYS A 63 -4.710 14.060 1.876 1.00 0.75 O ATOM 903 CB LYS A 63 -7.422 13.257 0.430 1.00 0.79 C ATOM 904 CG LYS A 63 -8.233 12.139 1.102 1.00 1.40 C ATOM 905 CD LYS A 63 -9.733 12.434 1.007 1.00 1.93 C ATOM 906 CE LYS A 63 -10.526 11.339 1.724 1.00 2.83 C ATOM 907 NZ LYS A 63 -11.982 11.577 1.628 1.00 3.18 N ATOM 0 H LYS A 63 -5.533 15.630 0.582 1.00 0.73 H new ATOM 0 HA LYS A 63 -7.888 14.667 1.978 1.00 0.71 H new ATOM 0 HB2 LYS A 63 -8.007 13.672 -0.391 1.00 0.79 H new ATOM 0 HB3 LYS A 63 -6.521 12.826 -0.006 1.00 0.79 H new ATOM 0 HG2 LYS A 63 -8.013 11.184 0.624 1.00 1.40 H new ATOM 0 HG3 LYS A 63 -7.940 12.047 2.148 1.00 1.40 H new ATOM 0 HD2 LYS A 63 -9.951 13.404 1.454 1.00 1.93 H new ATOM 0 HD3 LYS A 63 -10.036 12.489 -0.039 1.00 1.93 H new ATOM 0 HE2 LYS A 63 -10.285 10.369 1.289 1.00 2.83 H new ATOM 0 HE3 LYS A 63 -10.230 11.301 2.772 1.00 2.83 H new ATOM 0 HZ1 LYS A 63 -12.461 11.129 2.435 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 -12.168 12.600 1.640 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 -12.343 11.170 0.742 1.00 3.18 H new ATOM 921 N HIS A 64 -6.167 13.397 3.446 1.00 0.89 N ATOM 922 CA HIS A 64 -5.163 12.668 4.203 1.00 0.90 C ATOM 923 C HIS A 64 -4.766 11.430 3.400 1.00 0.74 C ATOM 924 O HIS A 64 -5.632 10.762 2.841 1.00 0.75 O ATOM 925 CB HIS A 64 -5.727 12.253 5.565 1.00 1.08 C ATOM 926 CG HIS A 64 -5.940 13.390 6.536 1.00 1.47 C ATOM 927 ND1 HIS A 64 -6.162 13.243 7.889 1.00 2.12 N ATOM 928 CD2 HIS A 64 -5.951 14.735 6.259 1.00 1.36 C ATOM 929 CE1 HIS A 64 -6.306 14.473 8.411 1.00 2.34 C ATOM 930 NE2 HIS A 64 -6.180 15.410 7.459 1.00 1.87 N ATOM 0 H HIS A 64 -7.086 13.442 3.886 1.00 0.89 H new ATOM 0 HA HIS A 64 -4.292 13.300 4.374 1.00 0.90 H new ATOM 0 HB2 HIS A 64 -6.678 11.744 5.409 1.00 1.08 H new ATOM 0 HB3 HIS A 64 -5.049 11.529 6.018 1.00 1.08 H new ATOM 0 HD2 HIS A 64 -5.808 15.188 5.289 1.00 1.36 H new ATOM 0 HE1 HIS A 64 -6.497 14.679 9.454 1.00 2.34 H new ATOM 0 HE2 HIS A 64 -6.240 16.420 7.587 1.00 1.87 H new ATOM 938 N ILE A 65 -3.473 11.115 3.370 1.00 0.64 N ATOM 939 CA ILE A 65 -2.937 9.939 2.690 1.00 0.48 C ATOM 940 C ILE A 65 -2.060 9.204 3.702 1.00 0.46 C ATOM 941 O ILE A 65 -1.647 9.798 4.693 1.00 0.62 O ATOM 942 CB ILE A 65 -2.178 10.384 1.419 1.00 0.45 C ATOM 943 CG1 ILE A 65 -3.077 11.134 0.418 1.00 0.77 C ATOM 944 CG2 ILE A 65 -1.459 9.230 0.704 1.00 0.54 C ATOM 945 CD1 ILE A 65 -4.183 10.278 -0.190 1.00 1.51 C ATOM 0 H ILE A 65 -2.756 11.680 3.826 1.00 0.64 H new ATOM 0 HA ILE A 65 -3.715 9.257 2.349 1.00 0.48 H new ATOM 0 HB ILE A 65 -1.419 11.075 1.786 1.00 0.45 H new ATOM 0 HG12 ILE A 65 -3.529 11.988 0.922 1.00 0.77 H new ATOM 0 HG13 ILE A 65 -2.456 11.530 -0.385 1.00 0.77 H new ATOM 0 HG21 ILE A 65 -0.947 9.612 -0.179 1.00 0.54 H new ATOM 0 HG22 ILE A 65 -0.731 8.780 1.380 1.00 0.54 H new ATOM 0 HG23 ILE A 65 -2.188 8.478 0.403 1.00 0.54 H new ATOM 0 HD11 ILE A 65 -4.770 10.881 -0.883 1.00 1.51 H new ATOM 0 HD12 ILE A 65 -3.740 9.438 -0.725 1.00 1.51 H new ATOM 0 HD13 ILE A 65 -4.830 9.903 0.603 1.00 1.51 H new ATOM 957 N ILE A 66 -1.774 7.921 3.488 1.00 0.35 N ATOM 958 CA ILE A 66 -0.963 7.115 4.385 1.00 0.31 C ATOM 959 C ILE A 66 0.268 6.685 3.594 1.00 0.32 C ATOM 960 O ILE A 66 0.148 6.338 2.421 1.00 0.37 O ATOM 961 CB ILE A 66 -1.746 5.902 4.914 1.00 0.34 C ATOM 962 CG1 ILE A 66 -3.195 6.200 5.357 1.00 0.42 C ATOM 963 CG2 ILE A 66 -0.980 5.218 6.055 1.00 0.36 C ATOM 964 CD1 ILE A 66 -3.310 7.090 6.593 1.00 0.42 C ATOM 0 H ILE A 66 -2.107 7.408 2.672 1.00 0.35 H new ATOM 0 HA ILE A 66 -0.674 7.689 5.265 1.00 0.31 H new ATOM 0 HB ILE A 66 -1.833 5.233 4.058 1.00 0.34 H new ATOM 0 HG12 ILE A 66 -3.723 6.677 4.531 1.00 0.42 H new ATOM 0 HG13 ILE A 66 -3.702 5.256 5.556 1.00 0.42 H new ATOM 0 HG21 ILE A 66 -1.551 4.362 6.415 1.00 0.36 H new ATOM 0 HG22 ILE A 66 -0.010 4.879 5.690 1.00 0.36 H new ATOM 0 HG23 ILE A 66 -0.834 5.926 6.871 1.00 0.36 H new ATOM 0 HD11 ILE A 66 -4.362 7.247 6.832 1.00 0.42 H new ATOM 0 HD12 ILE A 66 -2.814 6.608 7.436 1.00 0.42 H new ATOM 0 HD13 ILE A 66 -2.836 8.051 6.395 1.00 0.42 H new ATOM 976 N HIS A 67 1.446 6.700 4.218 1.00 0.31 N ATOM 977 CA HIS A 67 2.703 6.416 3.543 1.00 0.36 C ATOM 978 C HIS A 67 3.429 5.325 4.323 1.00 0.37 C ATOM 979 O HIS A 67 3.570 5.420 5.540 1.00 0.43 O ATOM 980 CB HIS A 67 3.527 7.712 3.444 1.00 0.46 C ATOM 981 CG HIS A 67 3.477 8.411 2.104 1.00 1.00 C ATOM 982 ND1 HIS A 67 4.347 9.394 1.686 1.00 1.72 N ATOM 983 CD2 HIS A 67 2.587 8.195 1.081 1.00 1.63 C ATOM 984 CE1 HIS A 67 3.980 9.766 0.448 1.00 2.30 C ATOM 985 NE2 HIS A 67 2.913 9.063 0.036 1.00 2.31 N ATOM 0 H HIS A 67 1.551 6.911 5.210 1.00 0.31 H new ATOM 0 HA HIS A 67 2.539 6.057 2.527 1.00 0.36 H new ATOM 0 HB2 HIS A 67 3.177 8.405 4.209 1.00 0.46 H new ATOM 0 HB3 HIS A 67 4.567 7.480 3.675 1.00 0.46 H new ATOM 0 HD2 HIS A 67 1.778 7.480 1.084 1.00 1.63 H new ATOM 0 HE1 HIS A 67 4.476 10.527 -0.136 1.00 2.30 H new ATOM 0 HE2 HIS A 67 2.435 9.146 -0.861 1.00 2.31 H new ATOM 993 N ALA A 68 3.867 4.277 3.626 1.00 0.43 N ATOM 994 CA ALA A 68 4.385 3.057 4.230 1.00 0.40 C ATOM 995 C ALA A 68 5.736 2.702 3.620 1.00 0.36 C ATOM 996 O ALA A 68 6.015 3.039 2.474 1.00 0.42 O ATOM 997 CB ALA A 68 3.372 1.936 3.990 1.00 0.46 C ATOM 0 H ALA A 68 3.870 4.255 2.606 1.00 0.43 H new ATOM 0 HA ALA A 68 4.530 3.198 5.301 1.00 0.40 H new ATOM 0 HB1 ALA A 68 3.740 1.011 4.435 1.00 0.46 H new ATOM 0 HB2 ALA A 68 2.419 2.203 4.446 1.00 0.46 H new ATOM 0 HB3 ALA A 68 3.234 1.793 2.918 1.00 0.46 H new ATOM 1003 N VAL A 69 6.606 2.012 4.349 1.00 0.44 N ATOM 1004 CA VAL A 69 7.857 1.551 3.817 1.00 0.55 C ATOM 1005 C VAL A 69 7.590 0.206 3.158 1.00 0.64 C ATOM 1006 O VAL A 69 7.065 -0.714 3.776 1.00 0.94 O ATOM 1007 CB VAL A 69 8.895 1.514 4.945 1.00 0.88 C ATOM 1008 CG1 VAL A 69 8.370 0.889 6.243 1.00 2.32 C ATOM 1009 CG2 VAL A 69 10.134 0.762 4.485 1.00 3.20 C ATOM 0 H VAL A 69 6.452 1.763 5.326 1.00 0.44 H new ATOM 0 HA VAL A 69 8.274 2.213 3.058 1.00 0.55 H new ATOM 0 HB VAL A 69 9.137 2.552 5.172 1.00 0.88 H new ATOM 0 HG11 VAL A 69 9.159 0.897 6.996 1.00 2.32 H new ATOM 0 HG12 VAL A 69 7.517 1.464 6.605 1.00 2.32 H new ATOM 0 HG13 VAL A 69 8.060 -0.139 6.053 1.00 2.32 H new ATOM 0 HG21 VAL A 69 10.867 0.740 5.292 1.00 3.20 H new ATOM 0 HG22 VAL A 69 9.861 -0.258 4.215 1.00 3.20 H new ATOM 0 HG23 VAL A 69 10.564 1.264 3.618 1.00 3.20 H new ATOM 1019 N GLY A 70 7.933 0.109 1.879 1.00 0.72 N ATOM 1020 CA GLY A 70 7.895 -1.155 1.174 1.00 0.98 C ATOM 1021 C GLY A 70 9.215 -1.882 1.421 1.00 1.07 C ATOM 1022 O GLY A 70 10.277 -1.263 1.360 1.00 1.36 O ATOM 0 H GLY A 70 8.241 0.898 1.311 1.00 0.72 H new ATOM 0 HA2 GLY A 70 7.058 -1.759 1.523 1.00 0.98 H new ATOM 0 HA3 GLY A 70 7.746 -0.990 0.107 1.00 0.98 H new ATOM 1026 N PRO A 71 9.197 -3.191 1.680 1.00 1.70 N ATOM 1027 CA PRO A 71 10.414 -3.975 1.769 1.00 2.14 C ATOM 1028 C PRO A 71 10.979 -4.123 0.360 1.00 1.47 C ATOM 1029 O PRO A 71 10.326 -4.680 -0.522 1.00 1.54 O ATOM 1030 CB PRO A 71 9.984 -5.318 2.352 1.00 3.09 C ATOM 1031 CG PRO A 71 8.531 -5.446 1.907 1.00 3.10 C ATOM 1032 CD PRO A 71 8.019 -4.011 1.863 1.00 2.40 C ATOM 0 HA PRO A 71 11.188 -3.525 2.391 1.00 2.14 H new ATOM 0 HB2 PRO A 71 10.595 -6.136 1.970 1.00 3.09 H new ATOM 0 HB3 PRO A 71 10.075 -5.332 3.438 1.00 3.09 H new ATOM 0 HG2 PRO A 71 8.455 -5.925 0.931 1.00 3.10 H new ATOM 0 HG3 PRO A 71 7.954 -6.052 2.605 1.00 3.10 H new ATOM 0 HD2 PRO A 71 7.311 -3.871 1.046 1.00 2.40 H new ATOM 0 HD3 PRO A 71 7.498 -3.751 2.784 1.00 2.40 H new ATOM 1040 N ASN A 72 12.185 -3.609 0.114 1.00 1.23 N ATOM 1041 CA ASN A 72 12.751 -3.668 -1.211 1.00 0.98 C ATOM 1042 C ASN A 72 13.667 -4.872 -1.199 1.00 0.91 C ATOM 1043 O ASN A 72 14.840 -4.709 -0.890 1.00 1.01 O ATOM 1044 CB ASN A 72 13.523 -2.378 -1.544 1.00 1.41 C ATOM 1045 CG ASN A 72 12.625 -1.182 -1.850 1.00 1.91 C ATOM 1046 OD1 ASN A 72 12.662 -0.644 -2.948 1.00 2.41 O ATOM 1047 ND2 ASN A 72 11.816 -0.731 -0.899 1.00 3.44 N ATOM 0 H ASN A 72 12.773 -3.155 0.813 1.00 1.23 H new ATOM 0 HA ASN A 72 11.981 -3.757 -1.977 1.00 0.98 H new ATOM 0 HB2 ASN A 72 14.172 -2.128 -0.705 1.00 1.41 H new ATOM 0 HB3 ASN A 72 14.169 -2.564 -2.402 1.00 1.41 H new ATOM 0 HD21 ASN A 72 11.215 0.073 -1.080 1.00 3.44 H new ATOM 0 HD22 ASN A 72 11.795 -1.189 0.012 1.00 3.44 H new ATOM 1054 N PHE A 73 13.175 -6.073 -1.510 1.00 0.80 N ATOM 1055 CA PHE A 73 14.039 -7.256 -1.509 1.00 0.88 C ATOM 1056 C PHE A 73 15.219 -7.094 -2.477 1.00 1.00 C ATOM 1057 O PHE A 73 16.234 -7.768 -2.339 1.00 1.06 O ATOM 1058 CB PHE A 73 13.255 -8.544 -1.789 1.00 0.95 C ATOM 1059 CG PHE A 73 12.070 -8.782 -0.871 1.00 1.99 C ATOM 1060 CD1 PHE A 73 10.786 -8.335 -1.237 1.00 3.22 C ATOM 1061 CD2 PHE A 73 12.242 -9.486 0.337 1.00 3.19 C ATOM 1062 CE1 PHE A 73 9.682 -8.590 -0.405 1.00 4.71 C ATOM 1063 CE2 PHE A 73 11.134 -9.754 1.163 1.00 4.56 C ATOM 1064 CZ PHE A 73 9.857 -9.299 0.796 1.00 5.14 C ATOM 0 H PHE A 73 12.203 -6.251 -1.761 1.00 0.80 H new ATOM 0 HA PHE A 73 14.449 -7.347 -0.503 1.00 0.88 H new ATOM 0 HB2 PHE A 73 12.899 -8.519 -2.819 1.00 0.95 H new ATOM 0 HB3 PHE A 73 13.936 -9.392 -1.707 1.00 0.95 H new ATOM 0 HD1 PHE A 73 10.649 -7.794 -2.161 1.00 3.22 H new ATOM 0 HD2 PHE A 73 13.226 -9.821 0.630 1.00 3.19 H new ATOM 0 HE1 PHE A 73 8.700 -8.241 -0.688 1.00 4.71 H new ATOM 0 HE2 PHE A 73 11.266 -10.310 2.080 1.00 4.56 H new ATOM 0 HZ PHE A 73 9.010 -9.494 1.437 1.00 5.14 H new ATOM 1074 N ASN A 74 15.148 -6.149 -3.420 1.00 1.09 N ATOM 1075 CA ASN A 74 16.292 -5.803 -4.253 1.00 1.32 C ATOM 1076 C ASN A 74 17.525 -5.402 -3.437 1.00 1.47 C ATOM 1077 O ASN A 74 18.659 -5.651 -3.848 1.00 1.70 O ATOM 1078 CB ASN A 74 15.896 -4.675 -5.209 1.00 1.37 C ATOM 1079 CG ASN A 74 17.059 -4.274 -6.105 1.00 1.90 C ATOM 1080 OD1 ASN A 74 17.744 -3.293 -5.847 1.00 3.44 O ATOM 1081 ND2 ASN A 74 17.302 -5.025 -7.172 1.00 1.69 N ATOM 0 H ASN A 74 14.305 -5.611 -3.622 1.00 1.09 H new ATOM 0 HA ASN A 74 16.572 -6.694 -4.815 1.00 1.32 H new ATOM 0 HB2 ASN A 74 15.055 -4.995 -5.824 1.00 1.37 H new ATOM 0 HB3 ASN A 74 15.561 -3.811 -4.636 1.00 1.37 H new ATOM 0 HD21 ASN A 74 18.073 -4.789 -7.797 1.00 1.69 H new ATOM 0 HD22 ASN A 74 16.718 -5.838 -7.367 1.00 1.69 H new ATOM 1088 N LYS A 75 17.318 -4.765 -2.283 1.00 1.41 N ATOM 1089 CA LYS A 75 18.384 -4.322 -1.398 1.00 1.57 C ATOM 1090 C LYS A 75 18.142 -4.783 0.038 1.00 1.41 C ATOM 1091 O LYS A 75 18.741 -4.233 0.956 1.00 1.45 O ATOM 1092 CB LYS A 75 18.493 -2.794 -1.505 1.00 1.73 C ATOM 1093 CG LYS A 75 19.473 -2.348 -2.596 1.00 2.00 C ATOM 1094 CD LYS A 75 20.924 -2.702 -2.233 1.00 2.72 C ATOM 1095 CE LYS A 75 21.394 -3.981 -2.939 1.00 3.21 C ATOM 1096 NZ LYS A 75 22.531 -3.721 -3.847 1.00 3.87 N ATOM 0 H LYS A 75 16.386 -4.541 -1.936 1.00 1.41 H new ATOM 0 HA LYS A 75 19.330 -4.770 -1.700 1.00 1.57 H new ATOM 0 HB2 LYS A 75 17.508 -2.377 -1.714 1.00 1.73 H new ATOM 0 HB3 LYS A 75 18.814 -2.388 -0.546 1.00 1.73 H new ATOM 0 HG2 LYS A 75 19.208 -2.823 -3.540 1.00 2.00 H new ATOM 0 HG3 LYS A 75 19.387 -1.272 -2.745 1.00 2.00 H new ATOM 0 HD2 LYS A 75 21.579 -1.875 -2.506 1.00 2.72 H new ATOM 0 HD3 LYS A 75 21.007 -2.831 -1.154 1.00 2.72 H new ATOM 0 HE2 LYS A 75 21.686 -4.721 -2.194 1.00 3.21 H new ATOM 0 HE3 LYS A 75 20.567 -4.408 -3.506 1.00 3.21 H new ATOM 0 HZ1 LYS A 75 22.820 -4.609 -4.305 1.00 3.87 H new ATOM 0 HZ2 LYS A 75 22.245 -3.034 -4.573 1.00 3.87 H new ATOM 0 HZ3 LYS A 75 23.329 -3.337 -3.302 1.00 3.87 H new ATOM 1110 N VAL A 76 17.316 -5.808 0.248 1.00 1.26 N ATOM 1111 CA VAL A 76 17.035 -6.307 1.590 1.00 1.18 C ATOM 1112 C VAL A 76 16.907 -7.830 1.514 1.00 1.10 C ATOM 1113 O VAL A 76 16.416 -8.357 0.520 1.00 1.15 O ATOM 1114 CB VAL A 76 15.798 -5.569 2.152 1.00 1.17 C ATOM 1115 CG1 VAL A 76 14.656 -6.476 2.605 1.00 0.94 C ATOM 1116 CG2 VAL A 76 16.211 -4.659 3.306 1.00 1.36 C ATOM 0 H VAL A 76 16.830 -6.308 -0.497 1.00 1.26 H new ATOM 0 HA VAL A 76 17.840 -6.102 2.296 1.00 1.18 H new ATOM 0 HB VAL A 76 15.406 -4.992 1.315 1.00 1.17 H new ATOM 0 HG11 VAL A 76 13.835 -5.866 2.983 1.00 0.94 H new ATOM 0 HG12 VAL A 76 14.307 -7.071 1.761 1.00 0.94 H new ATOM 0 HG13 VAL A 76 15.009 -7.139 3.395 1.00 0.94 H new ATOM 0 HG21 VAL A 76 15.333 -4.144 3.695 1.00 1.36 H new ATOM 0 HG22 VAL A 76 16.661 -5.257 4.098 1.00 1.36 H new ATOM 0 HG23 VAL A 76 16.934 -3.925 2.950 1.00 1.36 H new ATOM 1126 N SER A 77 17.379 -8.554 2.532 1.00 1.02 N ATOM 1127 CA SER A 77 17.286 -10.004 2.544 1.00 0.98 C ATOM 1128 C SER A 77 15.825 -10.395 2.729 1.00 0.85 C ATOM 1129 O SER A 77 15.031 -9.602 3.224 1.00 0.78 O ATOM 1130 CB SER A 77 18.135 -10.548 3.698 1.00 1.01 C ATOM 1131 OG SER A 77 18.072 -11.960 3.752 1.00 2.04 O ATOM 0 H SER A 77 17.828 -8.154 3.356 1.00 1.02 H new ATOM 0 HA SER A 77 17.655 -10.422 1.607 1.00 0.98 H new ATOM 0 HB2 SER A 77 19.170 -10.231 3.573 1.00 1.01 H new ATOM 0 HB3 SER A 77 17.785 -10.128 4.641 1.00 1.01 H new ATOM 0 HG SER A 77 18.623 -12.284 4.495 1.00 2.04 H new ATOM 1137 N GLU A 78 15.471 -11.644 2.434 1.00 0.89 N ATOM 1138 CA GLU A 78 14.144 -12.150 2.753 1.00 0.87 C ATOM 1139 C GLU A 78 13.860 -12.050 4.246 1.00 0.83 C ATOM 1140 O GLU A 78 12.710 -11.889 4.629 1.00 0.79 O ATOM 1141 CB GLU A 78 13.973 -13.600 2.290 1.00 0.93 C ATOM 1142 CG GLU A 78 13.376 -13.642 0.879 1.00 1.22 C ATOM 1143 CD GLU A 78 12.999 -15.067 0.464 1.00 1.72 C ATOM 1144 OE1 GLU A 78 13.924 -15.807 0.058 1.00 3.00 O ATOM 1145 OE2 GLU A 78 11.795 -15.394 0.542 1.00 2.11 O ATOM 0 H GLU A 78 16.084 -12.319 1.977 1.00 0.89 H new ATOM 0 HA GLU A 78 13.428 -11.527 2.217 1.00 0.87 H new ATOM 0 HB2 GLU A 78 14.937 -14.108 2.299 1.00 0.93 H new ATOM 0 HB3 GLU A 78 13.324 -14.136 2.983 1.00 0.93 H new ATOM 0 HG2 GLU A 78 12.492 -13.006 0.839 1.00 1.22 H new ATOM 0 HG3 GLU A 78 14.094 -13.234 0.168 1.00 1.22 H new ATOM 1152 N VAL A 79 14.877 -12.131 5.102 1.00 0.86 N ATOM 1153 CA VAL A 79 14.642 -12.070 6.539 1.00 0.83 C ATOM 1154 C VAL A 79 14.162 -10.667 6.907 1.00 0.77 C ATOM 1155 O VAL A 79 13.185 -10.482 7.632 1.00 0.72 O ATOM 1156 CB VAL A 79 15.930 -12.449 7.286 1.00 0.92 C ATOM 1157 CG1 VAL A 79 15.766 -12.324 8.806 1.00 0.95 C ATOM 1158 CG2 VAL A 79 16.328 -13.891 6.953 1.00 0.98 C ATOM 0 H VAL A 79 15.854 -12.237 4.830 1.00 0.86 H new ATOM 0 HA VAL A 79 13.869 -12.781 6.831 1.00 0.83 H new ATOM 0 HB VAL A 79 16.706 -11.756 6.961 1.00 0.92 H new ATOM 0 HG11 VAL A 79 16.699 -12.601 9.297 1.00 0.95 H new ATOM 0 HG12 VAL A 79 15.513 -11.295 9.061 1.00 0.95 H new ATOM 0 HG13 VAL A 79 14.969 -12.987 9.142 1.00 0.95 H new ATOM 0 HG21 VAL A 79 17.242 -14.149 7.488 1.00 0.98 H new ATOM 0 HG22 VAL A 79 15.528 -14.568 7.254 1.00 0.98 H new ATOM 0 HG23 VAL A 79 16.497 -13.983 5.880 1.00 0.98 H new ATOM 1168 N GLU A 80 14.872 -9.658 6.416 1.00 0.80 N ATOM 1169 CA GLU A 80 14.603 -8.284 6.799 1.00 0.77 C ATOM 1170 C GLU A 80 13.393 -7.753 6.038 1.00 0.74 C ATOM 1171 O GLU A 80 12.699 -6.866 6.519 1.00 0.78 O ATOM 1172 CB GLU A 80 15.872 -7.465 6.564 1.00 0.88 C ATOM 1173 CG GLU A 80 15.749 -6.045 7.124 1.00 0.95 C ATOM 1174 CD GLU A 80 17.136 -5.442 7.343 1.00 1.77 C ATOM 1175 OE1 GLU A 80 17.911 -5.430 6.360 1.00 2.99 O ATOM 1176 OE2 GLU A 80 17.414 -5.040 8.494 1.00 2.45 O ATOM 0 H GLU A 80 15.638 -9.769 5.752 1.00 0.80 H new ATOM 0 HA GLU A 80 14.347 -8.212 7.856 1.00 0.77 H new ATOM 0 HB2 GLU A 80 16.719 -7.967 7.031 1.00 0.88 H new ATOM 0 HB3 GLU A 80 16.080 -7.417 5.495 1.00 0.88 H new ATOM 0 HG2 GLU A 80 15.179 -5.423 6.435 1.00 0.95 H new ATOM 0 HG3 GLU A 80 15.200 -6.064 8.065 1.00 0.95 H new ATOM 1183 N GLY A 81 13.103 -8.322 4.871 1.00 0.73 N ATOM 1184 CA GLY A 81 11.961 -7.948 4.069 1.00 0.70 C ATOM 1185 C GLY A 81 10.716 -8.675 4.529 1.00 0.62 C ATOM 1186 O GLY A 81 9.636 -8.146 4.341 1.00 0.59 O ATOM 0 H GLY A 81 13.667 -9.065 4.458 1.00 0.73 H new ATOM 0 HA2 GLY A 81 11.803 -6.871 4.134 1.00 0.70 H new ATOM 0 HA3 GLY A 81 12.156 -8.179 3.022 1.00 0.70 H new ATOM 1190 N ASP A 82 10.833 -9.853 5.143 1.00 0.64 N ATOM 1191 CA ASP A 82 9.710 -10.500 5.810 1.00 0.62 C ATOM 1192 C ASP A 82 9.281 -9.610 6.967 1.00 0.55 C ATOM 1193 O ASP A 82 8.122 -9.212 7.058 1.00 0.51 O ATOM 1194 CB ASP A 82 10.104 -11.891 6.315 1.00 0.70 C ATOM 1195 CG ASP A 82 9.005 -12.483 7.194 1.00 0.84 C ATOM 1196 OD1 ASP A 82 9.286 -12.701 8.394 1.00 2.08 O ATOM 1197 OD2 ASP A 82 7.901 -12.705 6.653 1.00 1.98 O ATOM 0 H ASP A 82 11.705 -10.380 5.190 1.00 0.64 H new ATOM 0 HA ASP A 82 8.885 -10.633 5.110 1.00 0.62 H new ATOM 0 HB2 ASP A 82 10.292 -12.550 5.468 1.00 0.70 H new ATOM 0 HB3 ASP A 82 11.033 -11.827 6.881 1.00 0.70 H new ATOM 1202 N LYS A 83 10.237 -9.226 7.818 1.00 0.55 N ATOM 1203 CA LYS A 83 9.930 -8.344 8.933 1.00 0.52 C ATOM 1204 C LYS A 83 9.347 -7.043 8.426 1.00 0.44 C ATOM 1205 O LYS A 83 8.267 -6.681 8.853 1.00 0.39 O ATOM 1206 CB LYS A 83 11.144 -8.072 9.822 1.00 0.60 C ATOM 1207 CG LYS A 83 11.379 -9.226 10.798 1.00 0.74 C ATOM 1208 CD LYS A 83 12.252 -8.732 11.953 1.00 1.61 C ATOM 1209 CE LYS A 83 12.489 -9.872 12.943 1.00 2.18 C ATOM 1210 NZ LYS A 83 13.210 -9.399 14.143 1.00 3.32 N ATOM 0 H LYS A 83 11.214 -9.510 7.753 1.00 0.55 H new ATOM 0 HA LYS A 83 9.193 -8.857 9.551 1.00 0.52 H new ATOM 0 HB2 LYS A 83 12.029 -7.930 9.202 1.00 0.60 H new ATOM 0 HB3 LYS A 83 10.992 -7.147 10.377 1.00 0.60 H new ATOM 0 HG2 LYS A 83 10.427 -9.598 11.178 1.00 0.74 H new ATOM 0 HG3 LYS A 83 11.865 -10.058 10.288 1.00 0.74 H new ATOM 0 HD2 LYS A 83 13.205 -8.365 11.571 1.00 1.61 H new ATOM 0 HD3 LYS A 83 11.767 -7.895 12.456 1.00 1.61 H new ATOM 0 HE2 LYS A 83 11.533 -10.305 13.238 1.00 2.18 H new ATOM 0 HE3 LYS A 83 13.062 -10.663 12.460 1.00 2.18 H new ATOM 0 HZ1 LYS A 83 13.356 -10.195 14.796 1.00 3.32 H new ATOM 0 HZ2 LYS A 83 14.132 -9.008 13.862 1.00 3.32 H new ATOM 0 HZ3 LYS A 83 12.650 -8.661 14.616 1.00 3.32 H new ATOM 1224 N GLN A 84 10.010 -6.354 7.505 1.00 0.48 N ATOM 1225 CA GLN A 84 9.553 -5.057 7.030 1.00 0.46 C ATOM 1226 C GLN A 84 8.205 -5.198 6.331 1.00 0.42 C ATOM 1227 O GLN A 84 7.380 -4.294 6.416 1.00 0.41 O ATOM 1228 CB GLN A 84 10.597 -4.412 6.113 1.00 0.59 C ATOM 1229 CG GLN A 84 11.744 -3.796 6.920 1.00 1.82 C ATOM 1230 CD GLN A 84 11.324 -2.524 7.656 1.00 2.62 C ATOM 1231 OE1 GLN A 84 11.032 -1.506 7.034 1.00 2.41 O ATOM 1232 NE2 GLN A 84 11.308 -2.551 8.980 1.00 3.80 N ATOM 0 H GLN A 84 10.874 -6.677 7.070 1.00 0.48 H new ATOM 0 HA GLN A 84 9.422 -4.396 7.887 1.00 0.46 H new ATOM 0 HB2 GLN A 84 10.993 -5.161 5.427 1.00 0.59 H new ATOM 0 HB3 GLN A 84 10.123 -3.642 5.505 1.00 0.59 H new ATOM 0 HG2 GLN A 84 12.109 -4.526 7.642 1.00 1.82 H new ATOM 0 HG3 GLN A 84 12.573 -3.568 6.251 1.00 1.82 H new ATOM 0 HE21 GLN A 84 11.554 -3.408 9.476 1.00 3.80 H new ATOM 0 HE22 GLN A 84 11.049 -1.715 9.504 1.00 3.80 H new ATOM 1241 N LEU A 85 7.944 -6.325 5.663 1.00 0.44 N ATOM 1242 CA LEU A 85 6.628 -6.550 5.073 1.00 0.43 C ATOM 1243 C LEU A 85 5.583 -6.620 6.179 1.00 0.41 C ATOM 1244 O LEU A 85 4.511 -6.032 6.064 1.00 0.41 O ATOM 1245 CB LEU A 85 6.624 -7.824 4.205 1.00 0.49 C ATOM 1246 CG LEU A 85 5.384 -8.011 3.318 1.00 0.52 C ATOM 1247 CD1 LEU A 85 4.908 -6.707 2.661 1.00 0.80 C ATOM 1248 CD2 LEU A 85 5.709 -9.003 2.197 1.00 0.89 C ATOM 0 H LEU A 85 8.614 -7.081 5.520 1.00 0.44 H new ATOM 0 HA LEU A 85 6.381 -5.717 4.415 1.00 0.43 H new ATOM 0 HB2 LEU A 85 7.508 -7.812 3.567 1.00 0.49 H new ATOM 0 HB3 LEU A 85 6.716 -8.690 4.860 1.00 0.49 H new ATOM 0 HG LEU A 85 4.589 -8.373 3.970 1.00 0.52 H new ATOM 0 HD11 LEU A 85 4.029 -6.908 2.048 1.00 0.80 H new ATOM 0 HD12 LEU A 85 4.653 -5.982 3.434 1.00 0.80 H new ATOM 0 HD13 LEU A 85 5.703 -6.304 2.034 1.00 0.80 H new ATOM 0 HD21 LEU A 85 4.831 -9.138 1.565 1.00 0.89 H new ATOM 0 HD22 LEU A 85 6.532 -8.616 1.596 1.00 0.89 H new ATOM 0 HD23 LEU A 85 5.995 -9.961 2.631 1.00 0.89 H new ATOM 1260 N ALA A 86 5.893 -7.317 7.270 1.00 0.40 N ATOM 1261 CA ALA A 86 4.967 -7.466 8.381 1.00 0.39 C ATOM 1262 C ALA A 86 4.874 -6.183 9.196 1.00 0.33 C ATOM 1263 O ALA A 86 3.850 -5.942 9.815 1.00 0.33 O ATOM 1264 CB ALA A 86 5.417 -8.630 9.266 1.00 0.43 C ATOM 0 H ALA A 86 6.787 -7.790 7.405 1.00 0.40 H new ATOM 0 HA ALA A 86 3.975 -7.676 7.982 1.00 0.39 H new ATOM 0 HB1 ALA A 86 4.724 -8.743 10.099 1.00 0.43 H new ATOM 0 HB2 ALA A 86 5.432 -9.549 8.679 1.00 0.43 H new ATOM 0 HB3 ALA A 86 6.417 -8.429 9.651 1.00 0.43 H new ATOM 1270 N GLU A 87 5.909 -5.353 9.195 1.00 0.33 N ATOM 1271 CA GLU A 87 5.962 -4.096 9.917 1.00 0.32 C ATOM 1272 C GLU A 87 5.102 -3.077 9.174 1.00 0.31 C ATOM 1273 O GLU A 87 4.386 -2.285 9.783 1.00 0.32 O ATOM 1274 CB GLU A 87 7.414 -3.631 10.019 1.00 0.32 C ATOM 1275 CG GLU A 87 8.165 -4.368 11.132 1.00 0.36 C ATOM 1276 CD GLU A 87 9.618 -3.904 11.193 1.00 0.92 C ATOM 1277 OE1 GLU A 87 10.496 -4.645 10.689 1.00 2.32 O ATOM 1278 OE2 GLU A 87 9.848 -2.779 11.687 1.00 1.41 O ATOM 0 H GLU A 87 6.763 -5.547 8.672 1.00 0.33 H new ATOM 0 HA GLU A 87 5.576 -4.212 10.930 1.00 0.32 H new ATOM 0 HB2 GLU A 87 7.918 -3.798 9.067 1.00 0.32 H new ATOM 0 HB3 GLU A 87 7.441 -2.558 10.210 1.00 0.32 H new ATOM 0 HG2 GLU A 87 7.678 -4.186 12.090 1.00 0.36 H new ATOM 0 HG3 GLU A 87 8.127 -5.443 10.955 1.00 0.36 H new ATOM 1285 N ALA A 88 5.118 -3.131 7.841 1.00 0.33 N ATOM 1286 CA ALA A 88 4.241 -2.321 7.019 1.00 0.37 C ATOM 1287 C ALA A 88 2.807 -2.745 7.308 1.00 0.38 C ATOM 1288 O ALA A 88 1.977 -1.931 7.697 1.00 0.41 O ATOM 1289 CB ALA A 88 4.594 -2.494 5.539 1.00 0.38 C ATOM 0 H ALA A 88 5.741 -3.739 7.309 1.00 0.33 H new ATOM 0 HA ALA A 88 4.359 -1.263 7.252 1.00 0.37 H new ATOM 0 HB1 ALA A 88 3.928 -1.881 4.932 1.00 0.38 H new ATOM 0 HB2 ALA A 88 5.626 -2.184 5.372 1.00 0.38 H new ATOM 0 HB3 ALA A 88 4.480 -3.541 5.258 1.00 0.38 H new ATOM 1295 N TYR A 89 2.519 -4.036 7.149 1.00 0.38 N ATOM 1296 CA TYR A 89 1.211 -4.608 7.369 1.00 0.41 C ATOM 1297 C TYR A 89 0.733 -4.433 8.801 1.00 0.38 C ATOM 1298 O TYR A 89 -0.469 -4.317 8.996 1.00 0.41 O ATOM 1299 CB TYR A 89 1.255 -6.087 6.972 1.00 0.45 C ATOM 1300 CG TYR A 89 1.177 -6.369 5.478 1.00 0.55 C ATOM 1301 CD1 TYR A 89 0.287 -5.665 4.635 1.00 1.51 C ATOM 1302 CD2 TYR A 89 2.001 -7.364 4.925 1.00 1.92 C ATOM 1303 CE1 TYR A 89 0.253 -5.923 3.251 1.00 1.51 C ATOM 1304 CE2 TYR A 89 1.963 -7.630 3.547 1.00 2.00 C ATOM 1305 CZ TYR A 89 1.104 -6.906 2.700 1.00 0.76 C ATOM 1306 OH TYR A 89 1.134 -7.163 1.364 1.00 0.88 O ATOM 0 H TYR A 89 3.214 -4.723 6.856 1.00 0.38 H new ATOM 0 HA TYR A 89 0.488 -4.078 6.749 1.00 0.41 H new ATOM 0 HB2 TYR A 89 2.177 -6.521 7.358 1.00 0.45 H new ATOM 0 HB3 TYR A 89 0.430 -6.602 7.464 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -0.374 -4.922 5.057 1.00 1.51 H new ATOM 0 HD2 TYR A 89 2.667 -7.927 5.563 1.00 1.92 H new ATOM 0 HE1 TYR A 89 -0.422 -5.371 2.613 1.00 1.51 H new ATOM 0 HE2 TYR A 89 2.600 -8.398 3.133 1.00 2.00 H new ATOM 0 HH TYR A 89 0.404 -7.774 1.132 1.00 0.88 H new ATOM 1316 N GLU A 90 1.606 -4.393 9.805 1.00 0.37 N ATOM 1317 CA GLU A 90 1.139 -4.218 11.176 1.00 0.44 C ATOM 1318 C GLU A 90 0.957 -2.741 11.469 1.00 0.37 C ATOM 1319 O GLU A 90 0.093 -2.387 12.260 1.00 0.38 O ATOM 1320 CB GLU A 90 2.012 -4.901 12.238 1.00 0.72 C ATOM 1321 CG GLU A 90 3.185 -4.049 12.729 1.00 1.80 C ATOM 1322 CD GLU A 90 3.924 -4.761 13.859 1.00 1.90 C ATOM 1323 OE1 GLU A 90 4.972 -5.377 13.572 1.00 2.89 O ATOM 1324 OE2 GLU A 90 3.401 -4.684 14.998 1.00 2.03 O ATOM 0 H GLU A 90 2.617 -4.477 9.699 1.00 0.37 H new ATOM 0 HA GLU A 90 0.179 -4.729 11.244 1.00 0.44 H new ATOM 0 HB2 GLU A 90 1.387 -5.165 13.091 1.00 0.72 H new ATOM 0 HB3 GLU A 90 2.401 -5.833 11.828 1.00 0.72 H new ATOM 0 HG2 GLU A 90 3.870 -3.853 11.904 1.00 1.80 H new ATOM 0 HG3 GLU A 90 2.820 -3.083 13.077 1.00 1.80 H new ATOM 1331 N SER A 91 1.733 -1.867 10.831 1.00 0.37 N ATOM 1332 CA SER A 91 1.480 -0.445 10.936 1.00 0.37 C ATOM 1333 C SER A 91 0.101 -0.174 10.357 1.00 0.39 C ATOM 1334 O SER A 91 -0.703 0.509 10.978 1.00 0.48 O ATOM 1335 CB SER A 91 2.541 0.377 10.196 1.00 0.42 C ATOM 1336 OG SER A 91 3.798 0.350 10.841 1.00 0.84 O ATOM 0 H SER A 91 2.529 -2.120 10.246 1.00 0.37 H new ATOM 0 HA SER A 91 1.525 -0.146 11.983 1.00 0.37 H new ATOM 0 HB2 SER A 91 2.649 -0.006 9.181 1.00 0.42 H new ATOM 0 HB3 SER A 91 2.202 1.410 10.112 1.00 0.42 H new ATOM 0 HG SER A 91 4.257 -0.489 10.628 1.00 0.84 H new ATOM 1342 N ILE A 92 -0.196 -0.717 9.178 1.00 0.36 N ATOM 1343 CA ILE A 92 -1.448 -0.463 8.497 1.00 0.38 C ATOM 1344 C ILE A 92 -2.583 -1.105 9.288 1.00 0.39 C ATOM 1345 O ILE A 92 -3.608 -0.475 9.516 1.00 0.40 O ATOM 1346 CB ILE A 92 -1.335 -0.961 7.039 1.00 0.43 C ATOM 1347 CG1 ILE A 92 -0.885 0.182 6.110 1.00 0.48 C ATOM 1348 CG2 ILE A 92 -2.641 -1.527 6.496 1.00 0.47 C ATOM 1349 CD1 ILE A 92 0.634 0.247 6.004 1.00 0.67 C ATOM 0 H ILE A 92 0.430 -1.345 8.674 1.00 0.36 H new ATOM 0 HA ILE A 92 -1.673 0.602 8.445 1.00 0.38 H new ATOM 0 HB ILE A 92 -0.597 -1.763 7.057 1.00 0.43 H new ATOM 0 HG12 ILE A 92 -1.315 0.038 5.119 1.00 0.48 H new ATOM 0 HG13 ILE A 92 -1.266 1.131 6.487 1.00 0.48 H new ATOM 0 HG21 ILE A 92 -2.494 -1.859 5.468 1.00 0.47 H new ATOM 0 HG22 ILE A 92 -2.954 -2.372 7.109 1.00 0.47 H new ATOM 0 HG23 ILE A 92 -3.410 -0.755 6.522 1.00 0.47 H new ATOM 0 HD11 ILE A 92 0.918 1.064 5.341 1.00 0.67 H new ATOM 0 HD12 ILE A 92 1.061 0.417 6.993 1.00 0.67 H new ATOM 0 HD13 ILE A 92 1.011 -0.694 5.603 1.00 0.67 H new ATOM 1361 N ALA A 93 -2.413 -2.353 9.713 1.00 0.41 N ATOM 1362 CA ALA A 93 -3.466 -3.110 10.377 1.00 0.44 C ATOM 1363 C ALA A 93 -3.796 -2.464 11.720 1.00 0.41 C ATOM 1364 O ALA A 93 -4.953 -2.205 12.041 1.00 0.41 O ATOM 1365 CB ALA A 93 -3.030 -4.570 10.542 1.00 0.51 C ATOM 0 H ALA A 93 -1.539 -2.868 9.606 1.00 0.41 H new ATOM 0 HA ALA A 93 -4.371 -3.099 9.769 1.00 0.44 H new ATOM 0 HB1 ALA A 93 -3.821 -5.132 11.039 1.00 0.51 H new ATOM 0 HB2 ALA A 93 -2.837 -5.005 9.561 1.00 0.51 H new ATOM 0 HB3 ALA A 93 -2.122 -4.613 11.143 1.00 0.51 H new ATOM 1371 N LYS A 94 -2.774 -2.154 12.516 1.00 0.42 N ATOM 1372 CA LYS A 94 -2.996 -1.454 13.768 1.00 0.43 C ATOM 1373 C LYS A 94 -3.590 -0.077 13.489 1.00 0.40 C ATOM 1374 O LYS A 94 -4.456 0.338 14.244 1.00 0.47 O ATOM 1375 CB LYS A 94 -1.717 -1.391 14.612 1.00 0.48 C ATOM 1376 CG LYS A 94 -1.308 -2.800 15.072 1.00 1.20 C ATOM 1377 CD LYS A 94 -0.019 -2.757 15.902 1.00 1.73 C ATOM 1378 CE LYS A 94 0.483 -4.162 16.265 1.00 2.81 C ATOM 1379 NZ LYS A 94 -0.485 -4.905 17.103 1.00 4.18 N ATOM 0 H LYS A 94 -1.799 -2.375 12.315 1.00 0.42 H new ATOM 0 HA LYS A 94 -3.717 -2.011 14.366 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -0.911 -0.943 14.030 1.00 0.48 H new ATOM 0 HB3 LYS A 94 -1.877 -0.751 15.479 1.00 0.48 H new ATOM 0 HG2 LYS A 94 -2.111 -3.240 15.664 1.00 1.20 H new ATOM 0 HG3 LYS A 94 -1.164 -3.442 14.203 1.00 1.20 H new ATOM 0 HD2 LYS A 94 0.754 -2.230 15.343 1.00 1.73 H new ATOM 0 HD3 LYS A 94 -0.195 -2.189 16.815 1.00 1.73 H new ATOM 0 HE2 LYS A 94 0.676 -4.724 15.351 1.00 2.81 H new ATOM 0 HE3 LYS A 94 1.432 -4.081 16.795 1.00 2.81 H new ATOM 0 HZ1 LYS A 94 -0.081 -5.827 17.365 1.00 4.18 H new ATOM 0 HZ2 LYS A 94 -0.689 -4.359 17.964 1.00 4.18 H new ATOM 0 HZ3 LYS A 94 -1.366 -5.051 16.569 1.00 4.18 H new ATOM 1393 N ILE A 95 -3.206 0.610 12.408 1.00 0.38 N ATOM 1394 CA ILE A 95 -3.810 1.898 12.053 1.00 0.37 C ATOM 1395 C ILE A 95 -5.292 1.717 11.712 1.00 0.38 C ATOM 1396 O ILE A 95 -6.107 2.582 12.011 1.00 0.39 O ATOM 1397 CB ILE A 95 -3.015 2.584 10.918 1.00 0.40 C ATOM 1398 CG1 ILE A 95 -1.769 3.252 11.531 1.00 0.59 C ATOM 1399 CG2 ILE A 95 -3.836 3.640 10.159 1.00 0.78 C ATOM 1400 CD1 ILE A 95 -0.728 3.666 10.483 1.00 0.59 C ATOM 0 H ILE A 95 -2.480 0.296 11.764 1.00 0.38 H new ATOM 0 HA ILE A 95 -3.760 2.564 12.914 1.00 0.37 H new ATOM 0 HB ILE A 95 -2.743 1.816 10.194 1.00 0.40 H new ATOM 0 HG12 ILE A 95 -2.077 4.132 12.095 1.00 0.59 H new ATOM 0 HG13 ILE A 95 -1.308 2.564 12.240 1.00 0.59 H new ATOM 0 HG21 ILE A 95 -3.222 4.084 9.376 1.00 0.78 H new ATOM 0 HG22 ILE A 95 -4.710 3.168 9.711 1.00 0.78 H new ATOM 0 HG23 ILE A 95 -4.159 4.417 10.852 1.00 0.78 H new ATOM 0 HD11 ILE A 95 0.124 4.130 10.980 1.00 0.59 H new ATOM 0 HD12 ILE A 95 -0.393 2.785 9.935 1.00 0.59 H new ATOM 0 HD13 ILE A 95 -1.174 4.377 9.788 1.00 0.59 H new ATOM 1412 N VAL A 96 -5.669 0.602 11.095 1.00 0.42 N ATOM 1413 CA VAL A 96 -7.049 0.326 10.723 1.00 0.48 C ATOM 1414 C VAL A 96 -7.885 0.207 11.989 1.00 0.51 C ATOM 1415 O VAL A 96 -9.019 0.674 12.036 1.00 0.55 O ATOM 1416 CB VAL A 96 -7.101 -0.927 9.823 1.00 0.57 C ATOM 1417 CG1 VAL A 96 -8.454 -1.648 9.822 1.00 0.74 C ATOM 1418 CG2 VAL A 96 -6.765 -0.533 8.380 1.00 0.62 C ATOM 0 H VAL A 96 -5.019 -0.141 10.838 1.00 0.42 H new ATOM 0 HA VAL A 96 -7.474 1.141 10.136 1.00 0.48 H new ATOM 0 HB VAL A 96 -6.371 -1.621 10.239 1.00 0.57 H new ATOM 0 HG11 VAL A 96 -8.403 -2.516 9.165 1.00 0.74 H new ATOM 0 HG12 VAL A 96 -8.694 -1.973 10.834 1.00 0.74 H new ATOM 0 HG13 VAL A 96 -9.228 -0.968 9.466 1.00 0.74 H new ATOM 0 HG21 VAL A 96 -6.801 -1.417 7.744 1.00 0.62 H new ATOM 0 HG22 VAL A 96 -7.489 0.200 8.025 1.00 0.62 H new ATOM 0 HG23 VAL A 96 -5.765 -0.101 8.344 1.00 0.62 H new ATOM 1428 N ASN A 97 -7.327 -0.389 13.038 1.00 0.54 N ATOM 1429 CA ASN A 97 -8.071 -0.586 14.270 1.00 0.65 C ATOM 1430 C ASN A 97 -8.088 0.713 15.054 1.00 0.64 C ATOM 1431 O ASN A 97 -9.103 1.068 15.642 1.00 0.73 O ATOM 1432 CB ASN A 97 -7.426 -1.679 15.132 1.00 0.74 C ATOM 1433 CG ASN A 97 -7.603 -3.076 14.554 1.00 0.84 C ATOM 1434 OD1 ASN A 97 -8.047 -3.251 13.428 1.00 1.68 O ATOM 1435 ND2 ASN A 97 -7.278 -4.104 15.327 1.00 1.20 N ATOM 0 H ASN A 97 -6.370 -0.740 13.057 1.00 0.54 H new ATOM 0 HA ASN A 97 -9.085 -0.893 14.016 1.00 0.65 H new ATOM 0 HB2 ASN A 97 -6.362 -1.469 15.239 1.00 0.74 H new ATOM 0 HB3 ASN A 97 -7.859 -1.648 16.132 1.00 0.74 H new ATOM 0 HD21 ASN A 97 -7.397 -5.057 14.985 1.00 1.20 H new ATOM 0 HD22 ASN A 97 -6.909 -3.941 16.264 1.00 1.20 H new ATOM 1442 N ASP A 98 -6.957 1.414 15.053 1.00 0.58 N ATOM 1443 CA ASP A 98 -6.740 2.644 15.807 1.00 0.64 C ATOM 1444 C ASP A 98 -7.733 3.690 15.331 1.00 0.66 C ATOM 1445 O ASP A 98 -8.380 4.375 16.119 1.00 0.76 O ATOM 1446 CB ASP A 98 -5.303 3.121 15.580 1.00 0.59 C ATOM 1447 CG ASP A 98 -5.026 4.443 16.290 1.00 1.49 C ATOM 1448 OD1 ASP A 98 -5.067 5.482 15.595 1.00 2.84 O ATOM 1449 OD2 ASP A 98 -4.740 4.382 17.506 1.00 2.25 O ATOM 0 H ASP A 98 -6.141 1.132 14.510 1.00 0.58 H new ATOM 0 HA ASP A 98 -6.888 2.473 16.873 1.00 0.64 H new ATOM 0 HB2 ASP A 98 -4.607 2.363 15.939 1.00 0.59 H new ATOM 0 HB3 ASP A 98 -5.123 3.238 14.511 1.00 0.59 H new ATOM 1454 N ASN A 99 -7.892 3.763 14.013 1.00 0.58 N ATOM 1455 CA ASN A 99 -8.800 4.718 13.397 1.00 0.62 C ATOM 1456 C ASN A 99 -10.199 4.128 13.220 1.00 0.66 C ATOM 1457 O ASN A 99 -11.111 4.820 12.771 1.00 0.69 O ATOM 1458 CB ASN A 99 -8.232 5.137 12.049 1.00 0.59 C ATOM 1459 CG ASN A 99 -8.417 6.631 11.812 1.00 0.67 C ATOM 1460 OD1 ASN A 99 -7.484 7.342 11.457 1.00 0.98 O ATOM 1461 ND2 ASN A 99 -9.626 7.149 11.943 1.00 2.08 N ATOM 0 H ASN A 99 -7.399 3.166 13.349 1.00 0.58 H new ATOM 0 HA ASN A 99 -8.893 5.585 14.051 1.00 0.62 H new ATOM 0 HB2 ASN A 99 -7.172 4.888 12.005 1.00 0.59 H new ATOM 0 HB3 ASN A 99 -8.724 4.577 11.254 1.00 0.59 H new ATOM 0 HD21 ASN A 99 -9.781 8.138 11.749 1.00 2.08 H new ATOM 0 HD22 ASN A 99 -10.404 6.559 12.238 1.00 2.08 H new ATOM 1468 N ASN A 100 -10.357 2.851 13.562 1.00 0.69 N ATOM 1469 CA ASN A 100 -11.609 2.107 13.564 1.00 0.79 C ATOM 1470 C ASN A 100 -12.278 2.116 12.193 1.00 0.74 C ATOM 1471 O ASN A 100 -13.490 2.295 12.065 1.00 0.77 O ATOM 1472 CB ASN A 100 -12.519 2.657 14.665 1.00 0.92 C ATOM 1473 CG ASN A 100 -13.669 1.713 14.987 1.00 1.09 C ATOM 1474 OD1 ASN A 100 -13.708 0.563 14.557 1.00 1.29 O ATOM 1475 ND2 ASN A 100 -14.629 2.178 15.776 1.00 2.24 N ATOM 0 H ASN A 100 -9.568 2.278 13.862 1.00 0.69 H new ATOM 0 HA ASN A 100 -11.402 1.059 13.780 1.00 0.79 H new ATOM 0 HB2 ASN A 100 -11.931 2.831 15.566 1.00 0.92 H new ATOM 0 HB3 ASN A 100 -12.920 3.622 14.354 1.00 0.92 H new ATOM 0 HD21 ASN A 100 -15.413 1.578 16.033 1.00 2.24 H new ATOM 0 HD22 ASN A 100 -14.583 3.135 16.125 1.00 2.24 H new ATOM 1482 N TYR A 101 -11.488 1.896 11.147 1.00 0.69 N ATOM 1483 CA TYR A 101 -11.983 1.868 9.782 1.00 0.69 C ATOM 1484 C TYR A 101 -12.708 0.576 9.455 1.00 0.87 C ATOM 1485 O TYR A 101 -12.286 -0.511 9.845 1.00 1.14 O ATOM 1486 CB TYR A 101 -10.815 1.992 8.826 1.00 0.76 C ATOM 1487 CG TYR A 101 -10.044 3.296 8.894 1.00 0.62 C ATOM 1488 CD1 TYR A 101 -8.660 3.297 8.650 1.00 1.58 C ATOM 1489 CD2 TYR A 101 -10.707 4.513 9.151 1.00 1.81 C ATOM 1490 CE1 TYR A 101 -7.943 4.503 8.623 1.00 1.59 C ATOM 1491 CE2 TYR A 101 -10.000 5.725 9.112 1.00 1.95 C ATOM 1492 CZ TYR A 101 -8.613 5.727 8.839 1.00 0.95 C ATOM 1493 OH TYR A 101 -7.921 6.896 8.743 1.00 1.28 O ATOM 0 H TYR A 101 -10.484 1.732 11.226 1.00 0.69 H new ATOM 0 HA TYR A 101 -12.683 2.697 9.679 1.00 0.69 H new ATOM 0 HB2 TYR A 101 -10.123 1.172 9.019 1.00 0.76 H new ATOM 0 HB3 TYR A 101 -11.186 1.864 7.809 1.00 0.76 H new ATOM 0 HD1 TYR A 101 -8.145 2.363 8.482 1.00 1.58 H new ATOM 0 HD2 TYR A 101 -11.763 4.513 9.379 1.00 1.81 H new ATOM 0 HE1 TYR A 101 -6.879 4.495 8.437 1.00 1.59 H new ATOM 0 HE2 TYR A 101 -10.516 6.657 9.291 1.00 1.95 H new ATOM 0 HH TYR A 101 -7.543 7.125 9.618 1.00 1.28 H new ATOM 1503 N LYS A 102 -13.808 0.703 8.712 1.00 0.88 N ATOM 1504 CA LYS A 102 -14.614 -0.412 8.258 1.00 1.14 C ATOM 1505 C LYS A 102 -14.315 -0.769 6.805 1.00 0.94 C ATOM 1506 O LYS A 102 -14.624 -1.886 6.422 1.00 1.16 O ATOM 1507 CB LYS A 102 -16.103 -0.131 8.499 1.00 1.60 C ATOM 1508 CG LYS A 102 -16.570 -0.503 9.920 1.00 2.25 C ATOM 1509 CD LYS A 102 -15.823 0.224 11.049 1.00 2.92 C ATOM 1510 CE LYS A 102 -14.545 -0.518 11.474 1.00 3.67 C ATOM 1511 NZ LYS A 102 -14.694 -1.251 12.745 1.00 5.22 N ATOM 0 H LYS A 102 -14.165 1.608 8.406 1.00 0.88 H new ATOM 0 HA LYS A 102 -14.348 -1.290 8.847 1.00 1.14 H new ATOM 0 HB2 LYS A 102 -16.299 0.927 8.325 1.00 1.60 H new ATOM 0 HB3 LYS A 102 -16.693 -0.689 7.772 1.00 1.60 H new ATOM 0 HG2 LYS A 102 -17.634 -0.285 10.007 1.00 2.25 H new ATOM 0 HG3 LYS A 102 -16.452 -1.578 10.057 1.00 2.25 H new ATOM 0 HD2 LYS A 102 -15.564 1.231 10.721 1.00 2.92 H new ATOM 0 HD3 LYS A 102 -16.483 0.329 11.910 1.00 2.92 H new ATOM 0 HE2 LYS A 102 -14.262 -1.219 10.689 1.00 3.67 H new ATOM 0 HE3 LYS A 102 -13.730 0.200 11.570 1.00 3.67 H new ATOM 0 HZ1 LYS A 102 -13.979 -2.004 12.797 1.00 5.22 H new ATOM 0 HZ2 LYS A 102 -14.564 -0.595 13.541 1.00 5.22 H new ATOM 0 HZ3 LYS A 102 -15.644 -1.671 12.794 1.00 5.22 H new ATOM 1525 N SER A 103 -13.692 0.110 6.016 1.00 0.69 N ATOM 1526 CA SER A 103 -13.213 -0.231 4.677 1.00 0.58 C ATOM 1527 C SER A 103 -12.154 0.793 4.274 1.00 0.54 C ATOM 1528 O SER A 103 -12.308 1.961 4.625 1.00 0.67 O ATOM 1529 CB SER A 103 -14.387 -0.212 3.687 1.00 0.80 C ATOM 1530 OG SER A 103 -15.051 1.038 3.719 1.00 1.35 O ATOM 0 H SER A 103 -13.506 1.075 6.288 1.00 0.69 H new ATOM 0 HA SER A 103 -12.778 -1.230 4.669 1.00 0.58 H new ATOM 0 HB2 SER A 103 -14.022 -0.409 2.679 1.00 0.80 H new ATOM 0 HB3 SER A 103 -15.089 -1.008 3.933 1.00 0.80 H new ATOM 0 HG SER A 103 -15.794 1.030 3.080 1.00 1.35 H new ATOM 1536 N VAL A 104 -11.101 0.391 3.552 1.00 0.50 N ATOM 1537 CA VAL A 104 -10.014 1.277 3.139 1.00 0.61 C ATOM 1538 C VAL A 104 -9.434 0.768 1.823 1.00 0.57 C ATOM 1539 O VAL A 104 -9.391 -0.445 1.621 1.00 0.61 O ATOM 1540 CB VAL A 104 -8.920 1.293 4.221 1.00 0.81 C ATOM 1541 CG1 VAL A 104 -7.641 1.983 3.746 1.00 1.39 C ATOM 1542 CG2 VAL A 104 -9.401 2.010 5.482 1.00 1.86 C ATOM 0 H VAL A 104 -10.982 -0.571 3.236 1.00 0.50 H new ATOM 0 HA VAL A 104 -10.393 2.290 3.005 1.00 0.61 H new ATOM 0 HB VAL A 104 -8.703 0.247 4.438 1.00 0.81 H new ATOM 0 HG11 VAL A 104 -6.901 1.968 4.546 1.00 1.39 H new ATOM 0 HG12 VAL A 104 -7.246 1.458 2.876 1.00 1.39 H new ATOM 0 HG13 VAL A 104 -7.863 3.016 3.477 1.00 1.39 H new ATOM 0 HG21 VAL A 104 -8.607 2.005 6.229 1.00 1.86 H new ATOM 0 HG22 VAL A 104 -9.663 3.039 5.238 1.00 1.86 H new ATOM 0 HG23 VAL A 104 -10.276 1.497 5.880 1.00 1.86 H new ATOM 1552 N ALA A 105 -8.956 1.683 0.967 1.00 0.57 N ATOM 1553 CA ALA A 105 -8.312 1.356 -0.295 1.00 0.59 C ATOM 1554 C ALA A 105 -6.813 1.126 -0.082 1.00 0.57 C ATOM 1555 O ALA A 105 -6.027 2.070 -0.014 1.00 0.58 O ATOM 1556 CB ALA A 105 -8.545 2.495 -1.287 1.00 0.68 C ATOM 0 H ALA A 105 -9.011 2.686 1.144 1.00 0.57 H new ATOM 0 HA ALA A 105 -8.741 0.438 -0.696 1.00 0.59 H new ATOM 0 HB1 ALA A 105 -8.064 2.255 -2.235 1.00 0.68 H new ATOM 0 HB2 ALA A 105 -9.615 2.626 -1.446 1.00 0.68 H new ATOM 0 HB3 ALA A 105 -8.122 3.417 -0.888 1.00 0.68 H new ATOM 1562 N ILE A 106 -6.420 -0.143 -0.006 1.00 0.68 N ATOM 1563 CA ILE A 106 -5.078 -0.620 0.280 1.00 0.77 C ATOM 1564 C ILE A 106 -4.534 -1.267 -1.006 1.00 0.81 C ATOM 1565 O ILE A 106 -5.138 -2.212 -1.507 1.00 0.97 O ATOM 1566 CB ILE A 106 -5.170 -1.581 1.494 1.00 1.00 C ATOM 1567 CG1 ILE A 106 -3.870 -2.354 1.766 1.00 1.76 C ATOM 1568 CG2 ILE A 106 -6.325 -2.594 1.400 1.00 1.41 C ATOM 1569 CD1 ILE A 106 -2.779 -1.474 2.377 1.00 3.00 C ATOM 0 H ILE A 106 -7.075 -0.911 -0.153 1.00 0.68 H new ATOM 0 HA ILE A 106 -4.379 0.170 0.557 1.00 0.77 H new ATOM 0 HB ILE A 106 -5.363 -0.905 2.327 1.00 1.00 H new ATOM 0 HG12 ILE A 106 -4.080 -3.185 2.439 1.00 1.76 H new ATOM 0 HG13 ILE A 106 -3.505 -2.783 0.833 1.00 1.76 H new ATOM 0 HG21 ILE A 106 -6.324 -3.230 2.285 1.00 1.41 H new ATOM 0 HG22 ILE A 106 -7.273 -2.060 1.339 1.00 1.41 H new ATOM 0 HG23 ILE A 106 -6.197 -3.210 0.510 1.00 1.41 H new ATOM 0 HD11 ILE A 106 -1.883 -2.071 2.548 1.00 3.00 H new ATOM 0 HD12 ILE A 106 -2.545 -0.657 1.694 1.00 3.00 H new ATOM 0 HD13 ILE A 106 -3.129 -1.065 3.325 1.00 3.00 H new ATOM 1581 N PRO A 107 -3.437 -0.765 -1.596 1.00 0.79 N ATOM 1582 CA PRO A 107 -2.883 -1.348 -2.806 1.00 0.86 C ATOM 1583 C PRO A 107 -2.030 -2.570 -2.477 1.00 0.93 C ATOM 1584 O PRO A 107 -1.950 -3.016 -1.333 1.00 1.02 O ATOM 1585 CB PRO A 107 -2.035 -0.240 -3.427 1.00 0.89 C ATOM 1586 CG PRO A 107 -1.505 0.490 -2.200 1.00 0.88 C ATOM 1587 CD PRO A 107 -2.660 0.398 -1.196 1.00 0.82 C ATOM 0 HA PRO A 107 -3.661 -1.694 -3.487 1.00 0.86 H new ATOM 0 HB2 PRO A 107 -1.229 -0.641 -4.041 1.00 0.89 H new ATOM 0 HB3 PRO A 107 -2.627 0.415 -4.066 1.00 0.89 H new ATOM 0 HG2 PRO A 107 -0.600 0.020 -1.814 1.00 0.88 H new ATOM 0 HG3 PRO A 107 -1.254 1.526 -2.428 1.00 0.88 H new ATOM 0 HD2 PRO A 107 -2.286 0.288 -0.178 1.00 0.82 H new ATOM 0 HD3 PRO A 107 -3.269 1.302 -1.216 1.00 0.82 H new ATOM 1595 N LEU A 108 -1.368 -3.107 -3.500 1.00 0.98 N ATOM 1596 CA LEU A 108 -0.491 -4.249 -3.410 1.00 1.01 C ATOM 1597 C LEU A 108 0.915 -3.707 -3.621 1.00 0.94 C ATOM 1598 O LEU A 108 1.092 -2.641 -4.207 1.00 1.27 O ATOM 1599 CB LEU A 108 -0.846 -5.294 -4.485 1.00 1.16 C ATOM 1600 CG LEU A 108 -2.340 -5.663 -4.564 1.00 1.28 C ATOM 1601 CD1 LEU A 108 -2.902 -5.982 -3.181 1.00 3.12 C ATOM 1602 CD2 LEU A 108 -3.148 -4.609 -5.327 1.00 3.42 C ATOM 0 H LEU A 108 -1.438 -2.736 -4.448 1.00 0.98 H new ATOM 0 HA LEU A 108 -0.583 -4.752 -2.447 1.00 1.01 H new ATOM 0 HB2 LEU A 108 -0.528 -4.916 -5.457 1.00 1.16 H new ATOM 0 HB3 LEU A 108 -0.273 -6.201 -4.293 1.00 1.16 H new ATOM 0 HG LEU A 108 -2.434 -6.578 -5.149 1.00 1.28 H new ATOM 0 HD11 LEU A 108 -3.958 -6.239 -3.268 1.00 3.12 H new ATOM 0 HD12 LEU A 108 -2.358 -6.824 -2.752 1.00 3.12 H new ATOM 0 HD13 LEU A 108 -2.792 -5.112 -2.534 1.00 3.12 H new ATOM 0 HD21 LEU A 108 -4.196 -4.907 -5.360 1.00 3.42 H new ATOM 0 HD22 LEU A 108 -3.060 -3.647 -4.822 1.00 3.42 H new ATOM 0 HD23 LEU A 108 -2.764 -4.521 -6.343 1.00 3.42 H new ATOM 1614 N LEU A 109 1.910 -4.441 -3.144 1.00 0.96 N ATOM 1615 CA LEU A 109 3.312 -4.085 -3.288 1.00 1.00 C ATOM 1616 C LEU A 109 4.025 -5.310 -3.863 1.00 1.07 C ATOM 1617 O LEU A 109 3.388 -6.112 -4.542 1.00 1.46 O ATOM 1618 CB LEU A 109 3.896 -3.572 -1.952 1.00 1.41 C ATOM 1619 CG LEU A 109 3.262 -2.257 -1.459 1.00 1.16 C ATOM 1620 CD1 LEU A 109 2.080 -2.495 -0.514 1.00 1.52 C ATOM 1621 CD2 LEU A 109 4.307 -1.438 -0.693 1.00 1.67 C ATOM 0 H LEU A 109 1.762 -5.314 -2.638 1.00 0.96 H new ATOM 0 HA LEU A 109 3.453 -3.250 -3.975 1.00 1.00 H new ATOM 0 HB2 LEU A 109 3.760 -4.338 -1.189 1.00 1.41 H new ATOM 0 HB3 LEU A 109 4.970 -3.425 -2.068 1.00 1.41 H new ATOM 0 HG LEU A 109 2.905 -1.730 -2.344 1.00 1.16 H new ATOM 0 HD11 LEU A 109 1.670 -1.537 -0.196 1.00 1.52 H new ATOM 0 HD12 LEU A 109 1.309 -3.066 -1.032 1.00 1.52 H new ATOM 0 HD13 LEU A 109 2.419 -3.052 0.359 1.00 1.52 H new ATOM 0 HD21 LEU A 109 3.857 -0.508 -0.345 1.00 1.67 H new ATOM 0 HD22 LEU A 109 4.663 -2.012 0.163 1.00 1.67 H new ATOM 0 HD23 LEU A 109 5.145 -1.211 -1.351 1.00 1.67 H new ATOM 1633 N SER A 110 5.345 -5.400 -3.679 1.00 1.15 N ATOM 1634 CA SER A 110 6.223 -6.464 -4.144 1.00 1.31 C ATOM 1635 C SER A 110 5.819 -7.047 -5.510 1.00 1.37 C ATOM 1636 O SER A 110 5.455 -8.208 -5.658 1.00 1.86 O ATOM 1637 CB SER A 110 6.494 -7.466 -3.016 1.00 1.58 C ATOM 1638 OG SER A 110 5.404 -8.279 -2.637 1.00 2.76 O ATOM 0 H SER A 110 5.857 -4.682 -3.167 1.00 1.15 H new ATOM 0 HA SER A 110 7.198 -6.037 -4.381 1.00 1.31 H new ATOM 0 HB2 SER A 110 7.316 -8.113 -3.321 1.00 1.58 H new ATOM 0 HB3 SER A 110 6.832 -6.914 -2.139 1.00 1.58 H new ATOM 0 HG SER A 110 5.727 -9.178 -2.418 1.00 2.76 H new ATOM 1644 N THR A 111 5.902 -6.211 -6.544 1.00 1.25 N ATOM 1645 CA THR A 111 5.428 -6.546 -7.879 1.00 1.44 C ATOM 1646 C THR A 111 6.415 -6.000 -8.910 1.00 1.61 C ATOM 1647 O THR A 111 6.084 -5.125 -9.702 1.00 2.28 O ATOM 1648 CB THR A 111 4.007 -5.975 -8.046 1.00 1.62 C ATOM 1649 OG1 THR A 111 3.797 -4.886 -7.164 1.00 2.14 O ATOM 1650 CG2 THR A 111 2.960 -7.035 -7.719 1.00 1.50 C ATOM 0 H THR A 111 6.304 -5.276 -6.475 1.00 1.25 H new ATOM 0 HA THR A 111 5.373 -7.624 -8.030 1.00 1.44 H new ATOM 0 HB THR A 111 3.911 -5.649 -9.082 1.00 1.62 H new ATOM 0 HG1 THR A 111 3.509 -5.224 -6.290 1.00 2.14 H new ATOM 0 HG21 THR A 111 1.963 -6.612 -7.843 1.00 1.50 H new ATOM 0 HG22 THR A 111 3.080 -7.884 -8.391 1.00 1.50 H new ATOM 0 HG23 THR A 111 3.088 -7.367 -6.689 1.00 1.50 H new ATOM 1658 N GLY A 112 7.653 -6.506 -8.897 1.00 2.22 N ATOM 1659 CA GLY A 112 8.660 -6.087 -9.869 1.00 2.67 C ATOM 1660 C GLY A 112 9.002 -4.603 -9.737 1.00 1.70 C ATOM 1661 O GLY A 112 9.068 -3.881 -10.728 1.00 2.07 O ATOM 0 H GLY A 112 7.977 -7.203 -8.226 1.00 2.22 H new ATOM 0 HA2 GLY A 112 9.564 -6.681 -9.733 1.00 2.67 H new ATOM 0 HA3 GLY A 112 8.296 -6.287 -10.877 1.00 2.67 H new ATOM 1665 N ILE A 113 9.219 -4.147 -8.502 1.00 1.49 N ATOM 1666 CA ILE A 113 9.576 -2.766 -8.206 1.00 0.92 C ATOM 1667 C ILE A 113 10.449 -2.771 -6.949 1.00 0.81 C ATOM 1668 O ILE A 113 11.644 -2.508 -7.025 1.00 1.31 O ATOM 1669 CB ILE A 113 8.306 -1.875 -8.153 1.00 1.81 C ATOM 1670 CG1 ILE A 113 8.565 -0.445 -7.642 1.00 1.56 C ATOM 1671 CG2 ILE A 113 7.143 -2.469 -7.342 1.00 3.21 C ATOM 1672 CD1 ILE A 113 9.388 0.385 -8.630 1.00 2.17 C ATOM 0 H ILE A 113 9.150 -4.736 -7.672 1.00 1.49 H new ATOM 0 HA ILE A 113 10.173 -2.309 -8.996 1.00 0.92 H new ATOM 0 HB ILE A 113 8.014 -1.834 -9.202 1.00 1.81 H new ATOM 0 HG12 ILE A 113 7.612 0.051 -7.460 1.00 1.56 H new ATOM 0 HG13 ILE A 113 9.088 -0.492 -6.687 1.00 1.56 H new ATOM 0 HG21 ILE A 113 6.298 -1.780 -7.359 1.00 3.21 H new ATOM 0 HG22 ILE A 113 6.843 -3.421 -7.780 1.00 3.21 H new ATOM 0 HG23 ILE A 113 7.461 -2.627 -6.312 1.00 3.21 H new ATOM 0 HD11 ILE A 113 9.544 1.385 -8.224 1.00 2.17 H new ATOM 0 HD12 ILE A 113 10.353 -0.095 -8.793 1.00 2.17 H new ATOM 0 HD13 ILE A 113 8.854 0.457 -9.578 1.00 2.17 H new ATOM 1684 N PHE A 114 9.894 -3.155 -5.799 1.00 0.76 N ATOM 1685 CA PHE A 114 10.615 -3.169 -4.533 1.00 0.79 C ATOM 1686 C PHE A 114 11.511 -4.404 -4.475 1.00 0.93 C ATOM 1687 O PHE A 114 12.689 -4.342 -4.128 1.00 1.09 O ATOM 1688 CB PHE A 114 9.592 -3.146 -3.389 1.00 0.83 C ATOM 1689 CG PHE A 114 8.650 -1.966 -3.459 1.00 0.84 C ATOM 1690 CD1 PHE A 114 7.277 -2.155 -3.693 1.00 2.44 C ATOM 1691 CD2 PHE A 114 9.164 -0.664 -3.336 1.00 1.72 C ATOM 1692 CE1 PHE A 114 6.426 -1.046 -3.821 1.00 2.85 C ATOM 1693 CE2 PHE A 114 8.314 0.444 -3.450 1.00 1.61 C ATOM 1694 CZ PHE A 114 6.945 0.253 -3.697 1.00 1.57 C ATOM 0 H PHE A 114 8.926 -3.466 -5.723 1.00 0.76 H new ATOM 0 HA PHE A 114 11.257 -2.293 -4.437 1.00 0.79 H new ATOM 0 HB2 PHE A 114 9.012 -4.068 -3.410 1.00 0.83 H new ATOM 0 HB3 PHE A 114 10.122 -3.124 -2.437 1.00 0.83 H new ATOM 0 HD1 PHE A 114 6.876 -3.155 -3.774 1.00 2.44 H new ATOM 0 HD2 PHE A 114 10.218 -0.517 -3.153 1.00 1.72 H new ATOM 0 HE1 PHE A 114 5.374 -1.192 -4.015 1.00 2.85 H new ATOM 0 HE2 PHE A 114 8.711 1.443 -3.348 1.00 1.61 H new ATOM 0 HZ PHE A 114 6.290 1.107 -3.792 1.00 1.57 H new ATOM 1704 N SER A 115 10.945 -5.554 -4.836 1.00 0.98 N ATOM 1705 CA SER A 115 11.687 -6.803 -4.897 1.00 1.24 C ATOM 1706 C SER A 115 12.722 -6.794 -6.033 1.00 1.34 C ATOM 1707 O SER A 115 13.585 -7.665 -6.112 1.00 1.46 O ATOM 1708 CB SER A 115 10.691 -7.961 -5.034 1.00 1.38 C ATOM 1709 OG SER A 115 11.322 -9.201 -4.803 1.00 2.43 O ATOM 0 H SER A 115 9.962 -5.642 -5.093 1.00 0.98 H new ATOM 0 HA SER A 115 12.256 -6.931 -3.976 1.00 1.24 H new ATOM 0 HB2 SER A 115 9.873 -7.828 -4.326 1.00 1.38 H new ATOM 0 HB3 SER A 115 10.253 -7.952 -6.032 1.00 1.38 H new ATOM 0 HG SER A 115 10.713 -9.792 -4.313 1.00 2.43 H new ATOM 1715 N GLY A 116 12.660 -5.818 -6.942 1.00 1.55 N ATOM 1716 CA GLY A 116 13.487 -5.823 -8.131 1.00 1.78 C ATOM 1717 C GLY A 116 12.903 -6.813 -9.127 1.00 1.95 C ATOM 1718 O GLY A 116 12.083 -6.440 -9.961 1.00 2.66 O ATOM 0 H GLY A 116 12.038 -5.013 -6.868 1.00 1.55 H new ATOM 0 HA2 GLY A 116 13.526 -4.825 -8.568 1.00 1.78 H new ATOM 0 HA3 GLY A 116 14.510 -6.100 -7.878 1.00 1.78 H new ATOM 1722 N ASN A 117 13.303 -8.080 -9.024 1.00 2.05 N ATOM 1723 CA ASN A 117 13.002 -9.108 -10.014 1.00 2.41 C ATOM 1724 C ASN A 117 12.430 -10.356 -9.346 1.00 2.27 C ATOM 1725 O ASN A 117 12.687 -11.472 -9.794 1.00 2.59 O ATOM 1726 CB ASN A 117 14.267 -9.435 -10.824 1.00 3.05 C ATOM 1727 CG ASN A 117 15.354 -10.099 -9.980 1.00 4.08 C ATOM 1728 OD1 ASN A 117 15.529 -9.777 -8.811 1.00 5.48 O ATOM 1729 ND2 ASN A 117 16.127 -11.007 -10.560 1.00 4.56 N ATOM 0 H ASN A 117 13.854 -8.424 -8.237 1.00 2.05 H new ATOM 0 HA ASN A 117 12.242 -8.730 -10.698 1.00 2.41 H new ATOM 0 HB2 ASN A 117 14.003 -10.093 -11.652 1.00 3.05 H new ATOM 0 HB3 ASN A 117 14.661 -8.517 -11.260 1.00 3.05 H new ATOM 0 HD21 ASN A 117 16.880 -11.448 -10.032 1.00 4.56 H new ATOM 0 HD22 ASN A 117 15.969 -11.264 -11.534 1.00 4.56 H new ATOM 1736 N LYS A 118 11.626 -10.178 -8.295 1.00 2.65 N ATOM 1737 CA LYS A 118 10.894 -11.268 -7.669 1.00 2.73 C ATOM 1738 C LYS A 118 9.603 -10.725 -7.058 1.00 2.77 C ATOM 1739 O LYS A 118 9.231 -9.581 -7.332 1.00 3.89 O ATOM 1740 CB LYS A 118 11.799 -11.989 -6.650 1.00 3.13 C ATOM 1741 CG LYS A 118 11.888 -13.473 -7.022 1.00 3.22 C ATOM 1742 CD LYS A 118 12.714 -14.267 -6.006 1.00 3.77 C ATOM 1743 CE LYS A 118 13.390 -15.440 -6.724 1.00 4.20 C ATOM 1744 NZ LYS A 118 14.015 -16.386 -5.775 1.00 4.87 N ATOM 0 H LYS A 118 11.468 -9.270 -7.858 1.00 2.65 H new ATOM 0 HA LYS A 118 10.606 -12.015 -8.408 1.00 2.73 H new ATOM 0 HB2 LYS A 118 12.793 -11.542 -6.647 1.00 3.13 H new ATOM 0 HB3 LYS A 118 11.396 -11.877 -5.643 1.00 3.13 H new ATOM 0 HG2 LYS A 118 10.884 -13.893 -7.082 1.00 3.22 H new ATOM 0 HG3 LYS A 118 12.335 -13.573 -8.011 1.00 3.22 H new ATOM 0 HD2 LYS A 118 13.464 -13.624 -5.545 1.00 3.77 H new ATOM 0 HD3 LYS A 118 12.073 -14.634 -5.204 1.00 3.77 H new ATOM 0 HE2 LYS A 118 12.653 -15.968 -7.329 1.00 4.20 H new ATOM 0 HE3 LYS A 118 14.149 -15.058 -7.407 1.00 4.20 H new ATOM 0 HZ1 LYS A 118 14.460 -17.164 -6.303 1.00 4.87 H new ATOM 0 HZ2 LYS A 118 14.737 -15.890 -5.215 1.00 4.87 H new ATOM 0 HZ3 LYS A 118 13.288 -16.771 -5.139 1.00 4.87 H new ATOM 1758 N ASP A 119 8.946 -11.565 -6.252 1.00 2.12 N ATOM 1759 CA ASP A 119 7.601 -11.403 -5.708 1.00 1.95 C ATOM 1760 C ASP A 119 6.553 -11.272 -6.812 1.00 1.46 C ATOM 1761 O ASP A 119 6.873 -11.072 -7.984 1.00 1.77 O ATOM 1762 CB ASP A 119 7.487 -10.236 -4.722 1.00 2.63 C ATOM 1763 CG ASP A 119 8.160 -10.470 -3.379 1.00 3.15 C ATOM 1764 OD1 ASP A 119 9.384 -10.726 -3.391 1.00 4.32 O ATOM 1765 OD2 ASP A 119 7.443 -10.283 -2.367 1.00 3.53 O ATOM 0 H ASP A 119 9.374 -12.438 -5.943 1.00 2.12 H new ATOM 0 HA ASP A 119 7.401 -12.316 -5.148 1.00 1.95 H new ATOM 0 HB2 ASP A 119 7.921 -9.347 -5.180 1.00 2.63 H new ATOM 0 HB3 ASP A 119 6.431 -10.024 -4.552 1.00 2.63 H new ATOM 1770 N ARG A 120 5.275 -11.395 -6.447 1.00 1.29 N ATOM 1771 CA ARG A 120 4.171 -11.079 -7.340 1.00 1.42 C ATOM 1772 C ARG A 120 2.999 -10.547 -6.529 1.00 1.37 C ATOM 1773 O ARG A 120 2.976 -10.620 -5.301 1.00 1.33 O ATOM 1774 CB ARG A 120 3.746 -12.305 -8.165 1.00 1.79 C ATOM 1775 CG ARG A 120 4.759 -12.640 -9.264 1.00 2.39 C ATOM 1776 CD ARG A 120 4.189 -13.664 -10.252 1.00 2.86 C ATOM 1777 NE ARG A 120 4.827 -14.979 -10.105 1.00 3.03 N ATOM 1778 CZ ARG A 120 4.454 -16.088 -10.754 1.00 3.84 C ATOM 1779 NH1 ARG A 120 5.149 -17.216 -10.605 1.00 4.37 N ATOM 1780 NH2 ARG A 120 3.388 -16.064 -11.554 1.00 4.55 N ATOM 0 H ARG A 120 4.982 -11.716 -5.524 1.00 1.29 H new ATOM 0 HA ARG A 120 4.502 -10.314 -8.042 1.00 1.42 H new ATOM 0 HB2 ARG A 120 3.632 -13.164 -7.504 1.00 1.79 H new ATOM 0 HB3 ARG A 120 2.771 -12.118 -8.616 1.00 1.79 H new ATOM 0 HG2 ARG A 120 5.034 -11.730 -9.798 1.00 2.39 H new ATOM 0 HG3 ARG A 120 5.670 -13.034 -8.814 1.00 2.39 H new ATOM 0 HD2 ARG A 120 3.115 -13.762 -10.095 1.00 2.86 H new ATOM 0 HD3 ARG A 120 4.330 -13.303 -11.271 1.00 2.86 H new ATOM 0 HE ARG A 120 5.613 -15.052 -9.460 1.00 3.03 H new ATOM 0 HH11 ARG A 120 5.967 -17.235 -9.995 1.00 4.37 H new ATOM 0 HH12 ARG A 120 4.863 -18.060 -11.101 1.00 4.37 H new ATOM 0 HH21 ARG A 120 2.857 -15.201 -11.671 1.00 4.55 H new ATOM 0 HH22 ARG A 120 3.103 -16.909 -12.049 1.00 4.55 H new ATOM 1794 N LEU A 121 1.970 -10.085 -7.238 1.00 1.38 N ATOM 1795 CA LEU A 121 0.792 -9.516 -6.612 1.00 1.33 C ATOM 1796 C LEU A 121 0.050 -10.575 -5.852 1.00 1.31 C ATOM 1797 O LEU A 121 -0.479 -10.278 -4.802 1.00 1.30 O ATOM 1798 CB LEU A 121 -0.156 -8.837 -7.604 1.00 1.36 C ATOM 1799 CG LEU A 121 -0.764 -9.749 -8.688 1.00 1.37 C ATOM 1800 CD1 LEU A 121 -2.162 -10.261 -8.315 1.00 1.72 C ATOM 1801 CD2 LEU A 121 -0.887 -8.969 -9.997 1.00 1.94 C ATOM 0 H LEU A 121 1.935 -10.097 -8.257 1.00 1.38 H new ATOM 0 HA LEU A 121 1.149 -8.741 -5.934 1.00 1.33 H new ATOM 0 HB2 LEU A 121 -0.971 -8.380 -7.043 1.00 1.36 H new ATOM 0 HB3 LEU A 121 0.384 -8.029 -8.098 1.00 1.36 H new ATOM 0 HG LEU A 121 -0.098 -10.606 -8.788 1.00 1.37 H new ATOM 0 HD11 LEU A 121 -2.541 -10.898 -9.114 1.00 1.72 H new ATOM 0 HD12 LEU A 121 -2.105 -10.835 -7.390 1.00 1.72 H new ATOM 0 HD13 LEU A 121 -2.834 -9.414 -8.176 1.00 1.72 H new ATOM 0 HD21 LEU A 121 -1.317 -9.612 -10.765 1.00 1.94 H new ATOM 0 HD22 LEU A 121 -1.532 -8.104 -9.846 1.00 1.94 H new ATOM 0 HD23 LEU A 121 0.100 -8.634 -10.315 1.00 1.94 H new ATOM 1813 N THR A 122 0.036 -11.805 -6.352 1.00 1.32 N ATOM 1814 CA THR A 122 -0.524 -12.945 -5.674 1.00 1.30 C ATOM 1815 C THR A 122 0.039 -13.057 -4.264 1.00 1.30 C ATOM 1816 O THR A 122 -0.684 -13.439 -3.350 1.00 1.32 O ATOM 1817 CB THR A 122 -0.177 -14.141 -6.559 1.00 1.33 C ATOM 1818 OG1 THR A 122 -0.856 -13.989 -7.786 1.00 1.37 O ATOM 1819 CG2 THR A 122 -0.528 -15.483 -5.929 1.00 1.35 C ATOM 0 H THR A 122 0.427 -12.032 -7.266 1.00 1.32 H new ATOM 0 HA THR A 122 -1.603 -12.874 -5.538 1.00 1.30 H new ATOM 0 HB THR A 122 0.904 -14.152 -6.701 1.00 1.33 H new ATOM 0 HG1 THR A 122 -0.646 -14.746 -8.372 1.00 1.37 H new ATOM 0 HG21 THR A 122 -0.255 -16.288 -6.611 1.00 1.35 H new ATOM 0 HG22 THR A 122 0.018 -15.600 -4.993 1.00 1.35 H new ATOM 0 HG23 THR A 122 -1.599 -15.523 -5.731 1.00 1.35 H new ATOM 1827 N GLN A 123 1.311 -12.707 -4.068 1.00 1.30 N ATOM 1828 CA GLN A 123 1.903 -12.813 -2.749 1.00 1.29 C ATOM 1829 C GLN A 123 1.484 -11.616 -1.908 1.00 1.25 C ATOM 1830 O GLN A 123 0.980 -11.793 -0.804 1.00 1.21 O ATOM 1831 CB GLN A 123 3.424 -12.970 -2.831 1.00 1.30 C ATOM 1832 CG GLN A 123 3.747 -14.323 -3.473 1.00 1.64 C ATOM 1833 CD GLN A 123 5.248 -14.568 -3.547 1.00 2.09 C ATOM 1834 OE1 GLN A 123 5.939 -13.919 -4.321 1.00 3.37 O ATOM 1835 NE2 GLN A 123 5.768 -15.520 -2.781 1.00 2.04 N ATOM 0 H GLN A 123 1.934 -12.355 -4.795 1.00 1.30 H new ATOM 0 HA GLN A 123 1.534 -13.715 -2.260 1.00 1.29 H new ATOM 0 HB2 GLN A 123 3.856 -12.160 -3.419 1.00 1.30 H new ATOM 0 HB3 GLN A 123 3.864 -12.910 -1.835 1.00 1.30 H new ATOM 0 HG2 GLN A 123 3.276 -15.120 -2.898 1.00 1.64 H new ATOM 0 HG3 GLN A 123 3.322 -14.360 -4.476 1.00 1.64 H new ATOM 0 HE21 GLN A 123 5.169 -16.046 -2.144 1.00 2.04 H new ATOM 0 HE22 GLN A 123 6.766 -15.725 -2.829 1.00 2.04 H new ATOM 1844 N SER A 124 1.626 -10.397 -2.432 1.00 1.28 N ATOM 1845 CA SER A 124 1.279 -9.202 -1.664 1.00 1.30 C ATOM 1846 C SER A 124 -0.188 -9.230 -1.229 1.00 1.21 C ATOM 1847 O SER A 124 -0.537 -8.809 -0.132 1.00 1.22 O ATOM 1848 CB SER A 124 1.593 -7.943 -2.482 1.00 1.43 C ATOM 1849 OG SER A 124 2.702 -7.253 -1.945 1.00 1.76 O ATOM 0 H SER A 124 1.974 -10.213 -3.373 1.00 1.28 H new ATOM 0 HA SER A 124 1.884 -9.185 -0.757 1.00 1.30 H new ATOM 0 HB2 SER A 124 1.798 -8.219 -3.516 1.00 1.43 H new ATOM 0 HB3 SER A 124 0.723 -7.287 -2.494 1.00 1.43 H new ATOM 0 HG SER A 124 3.530 -7.694 -2.228 1.00 1.76 H new ATOM 1855 N LEU A 125 -1.042 -9.760 -2.096 1.00 1.16 N ATOM 1856 CA LEU A 125 -2.453 -10.005 -1.891 1.00 1.13 C ATOM 1857 C LEU A 125 -2.640 -11.007 -0.782 1.00 1.09 C ATOM 1858 O LEU A 125 -3.452 -10.802 0.109 1.00 1.05 O ATOM 1859 CB LEU A 125 -3.032 -10.488 -3.235 1.00 1.14 C ATOM 1860 CG LEU A 125 -4.390 -11.197 -3.291 1.00 1.37 C ATOM 1861 CD1 LEU A 125 -4.311 -12.698 -2.993 1.00 1.34 C ATOM 1862 CD2 LEU A 125 -5.442 -10.542 -2.408 1.00 2.02 C ATOM 0 H LEU A 125 -0.738 -10.049 -3.026 1.00 1.16 H new ATOM 0 HA LEU A 125 -2.982 -9.104 -1.582 1.00 1.13 H new ATOM 0 HB2 LEU A 125 -3.097 -9.618 -3.888 1.00 1.14 H new ATOM 0 HB3 LEU A 125 -2.299 -11.163 -3.676 1.00 1.14 H new ATOM 0 HG LEU A 125 -4.705 -11.086 -4.329 1.00 1.37 H new ATOM 0 HD11 LEU A 125 -5.309 -13.133 -3.050 1.00 1.34 H new ATOM 0 HD12 LEU A 125 -3.662 -13.180 -3.724 1.00 1.34 H new ATOM 0 HD13 LEU A 125 -3.906 -12.849 -1.992 1.00 1.34 H new ATOM 0 HD21 LEU A 125 -6.380 -11.091 -2.492 1.00 2.02 H new ATOM 0 HD22 LEU A 125 -5.106 -10.554 -1.371 1.00 2.02 H new ATOM 0 HD23 LEU A 125 -5.595 -9.511 -2.728 1.00 2.02 H new ATOM 1874 N ASN A 126 -1.875 -12.085 -0.815 1.00 1.11 N ATOM 1875 CA ASN A 126 -2.018 -13.128 0.189 1.00 1.13 C ATOM 1876 C ASN A 126 -1.758 -12.544 1.563 1.00 1.11 C ATOM 1877 O ASN A 126 -2.492 -12.790 2.517 1.00 1.10 O ATOM 1878 CB ASN A 126 -1.055 -14.297 -0.077 1.00 1.17 C ATOM 1879 CG ASN A 126 -1.748 -15.646 0.079 1.00 1.43 C ATOM 1880 OD1 ASN A 126 -2.935 -15.794 -0.192 1.00 2.05 O ATOM 1881 ND2 ASN A 126 -1.018 -16.667 0.504 1.00 1.85 N ATOM 0 H ASN A 126 -1.156 -12.261 -1.517 1.00 1.11 H new ATOM 0 HA ASN A 126 -3.035 -13.516 0.140 1.00 1.13 H new ATOM 0 HB2 ASN A 126 -0.648 -14.211 -1.085 1.00 1.17 H new ATOM 0 HB3 ASN A 126 -0.213 -14.239 0.613 1.00 1.17 H new ATOM 0 HD21 ASN A 126 -1.442 -17.589 0.609 1.00 1.85 H new ATOM 0 HD22 ASN A 126 -0.032 -16.531 0.726 1.00 1.85 H new ATOM 1888 N HIS A 127 -0.693 -11.757 1.660 1.00 1.12 N ATOM 1889 CA HIS A 127 -0.256 -11.231 2.939 1.00 1.09 C ATOM 1890 C HIS A 127 -1.197 -10.116 3.369 1.00 1.00 C ATOM 1891 O HIS A 127 -1.441 -9.933 4.557 1.00 0.99 O ATOM 1892 CB HIS A 127 1.186 -10.743 2.838 1.00 1.13 C ATOM 1893 CG HIS A 127 2.148 -11.830 2.434 1.00 1.33 C ATOM 1894 ND1 HIS A 127 2.354 -13.026 3.086 1.00 1.61 N ATOM 1895 CD2 HIS A 127 2.960 -11.811 1.336 1.00 1.37 C ATOM 1896 CE1 HIS A 127 3.270 -13.712 2.380 1.00 1.75 C ATOM 1897 NE2 HIS A 127 3.661 -13.019 1.299 1.00 1.60 N ATOM 0 H HIS A 127 -0.119 -11.472 0.866 1.00 1.12 H new ATOM 0 HA HIS A 127 -0.285 -12.015 3.695 1.00 1.09 H new ATOM 0 HB2 HIS A 127 1.239 -9.931 2.113 1.00 1.13 H new ATOM 0 HB3 HIS A 127 1.493 -10.333 3.800 1.00 1.13 H new ATOM 0 HD2 HIS A 127 3.045 -11.005 0.622 1.00 1.37 H new ATOM 0 HE1 HIS A 127 3.642 -14.690 2.647 1.00 1.75 H new ATOM 0 HE2 HIS A 127 4.335 -13.315 0.592 1.00 1.60 H new ATOM 1905 N LEU A 128 -1.766 -9.401 2.402 1.00 0.98 N ATOM 1906 CA LEU A 128 -2.696 -8.321 2.654 1.00 0.95 C ATOM 1907 C LEU A 128 -3.974 -8.881 3.252 1.00 0.93 C ATOM 1908 O LEU A 128 -4.435 -8.399 4.276 1.00 0.89 O ATOM 1909 CB LEU A 128 -2.907 -7.571 1.333 1.00 0.97 C ATOM 1910 CG LEU A 128 -4.025 -6.528 1.338 1.00 1.13 C ATOM 1911 CD1 LEU A 128 -3.747 -5.536 0.212 1.00 2.63 C ATOM 1912 CD2 LEU A 128 -5.399 -7.137 1.043 1.00 1.92 C ATOM 0 H LEU A 128 -1.587 -9.563 1.411 1.00 0.98 H new ATOM 0 HA LEU A 128 -2.313 -7.608 3.384 1.00 0.95 H new ATOM 0 HB2 LEU A 128 -1.974 -7.076 1.064 1.00 0.97 H new ATOM 0 HB3 LEU A 128 -3.118 -8.301 0.551 1.00 0.97 H new ATOM 0 HG LEU A 128 -4.042 -6.072 2.328 1.00 1.13 H new ATOM 0 HD11 LEU A 128 -4.531 -4.779 0.192 1.00 2.63 H new ATOM 0 HD12 LEU A 128 -2.783 -5.056 0.380 1.00 2.63 H new ATOM 0 HD13 LEU A 128 -3.728 -6.064 -0.742 1.00 2.63 H new ATOM 0 HD21 LEU A 128 -6.156 -6.353 1.059 1.00 1.92 H new ATOM 0 HD22 LEU A 128 -5.385 -7.608 0.060 1.00 1.92 H new ATOM 0 HD23 LEU A 128 -5.636 -7.885 1.800 1.00 1.92 H new ATOM 1924 N LEU A 129 -4.541 -9.917 2.644 1.00 0.98 N ATOM 1925 CA LEU A 129 -5.735 -10.567 3.154 1.00 1.00 C ATOM 1926 C LEU A 129 -5.424 -11.274 4.455 1.00 1.02 C ATOM 1927 O LEU A 129 -6.311 -11.397 5.280 1.00 1.04 O ATOM 1928 CB LEU A 129 -6.313 -11.568 2.145 1.00 1.08 C ATOM 1929 CG LEU A 129 -7.041 -10.901 0.970 1.00 2.17 C ATOM 1930 CD1 LEU A 129 -7.612 -11.985 0.051 1.00 3.33 C ATOM 1931 CD2 LEU A 129 -8.190 -10.013 1.441 1.00 2.60 C ATOM 0 H LEU A 129 -4.182 -10.328 1.782 1.00 0.98 H new ATOM 0 HA LEU A 129 -6.484 -9.794 3.325 1.00 1.00 H new ATOM 0 HB2 LEU A 129 -5.505 -12.188 1.757 1.00 1.08 H new ATOM 0 HB3 LEU A 129 -7.006 -12.233 2.661 1.00 1.08 H new ATOM 0 HG LEU A 129 -6.318 -10.278 0.443 1.00 2.17 H new ATOM 0 HD11 LEU A 129 -8.130 -11.517 -0.786 1.00 3.33 H new ATOM 0 HD12 LEU A 129 -6.800 -12.606 -0.327 1.00 3.33 H new ATOM 0 HD13 LEU A 129 -8.312 -12.605 0.611 1.00 3.33 H new ATOM 0 HD21 LEU A 129 -8.678 -9.561 0.578 1.00 2.60 H new ATOM 0 HD22 LEU A 129 -8.913 -10.615 1.992 1.00 2.60 H new ATOM 0 HD23 LEU A 129 -7.801 -9.229 2.090 1.00 2.60 H new ATOM 1943 N THR A 130 -4.187 -11.706 4.684 1.00 1.04 N ATOM 1944 CA THR A 130 -3.863 -12.301 5.970 1.00 1.09 C ATOM 1945 C THR A 130 -3.930 -11.219 7.040 1.00 1.05 C ATOM 1946 O THR A 130 -4.527 -11.412 8.097 1.00 1.08 O ATOM 1947 CB THR A 130 -2.497 -12.995 5.899 1.00 1.17 C ATOM 1948 OG1 THR A 130 -2.581 -14.085 5.009 1.00 1.23 O ATOM 1949 CG2 THR A 130 -2.037 -13.548 7.248 1.00 1.26 C ATOM 0 H THR A 130 -3.417 -11.657 4.017 1.00 1.04 H new ATOM 0 HA THR A 130 -4.585 -13.073 6.235 1.00 1.09 H new ATOM 0 HB THR A 130 -1.781 -12.242 5.571 1.00 1.17 H new ATOM 0 HG1 THR A 130 -2.561 -13.756 4.086 1.00 1.23 H new ATOM 0 HG21 THR A 130 -1.065 -14.027 7.132 1.00 1.26 H new ATOM 0 HG22 THR A 130 -1.957 -12.733 7.967 1.00 1.26 H new ATOM 0 HG23 THR A 130 -2.761 -14.279 7.608 1.00 1.26 H new ATOM 1957 N ALA A 131 -3.355 -10.050 6.761 1.00 1.02 N ATOM 1958 CA ALA A 131 -3.367 -8.970 7.729 1.00 1.01 C ATOM 1959 C ALA A 131 -4.795 -8.494 7.976 1.00 0.98 C ATOM 1960 O ALA A 131 -5.182 -8.254 9.115 1.00 1.04 O ATOM 1961 CB ALA A 131 -2.462 -7.833 7.244 1.00 1.04 C ATOM 0 H ALA A 131 -2.883 -9.834 5.883 1.00 1.02 H new ATOM 0 HA ALA A 131 -2.976 -9.329 8.681 1.00 1.01 H new ATOM 0 HB1 ALA A 131 -2.473 -7.023 7.973 1.00 1.04 H new ATOM 0 HB2 ALA A 131 -1.443 -8.203 7.128 1.00 1.04 H new ATOM 0 HB3 ALA A 131 -2.825 -7.463 6.285 1.00 1.04 H new ATOM 1967 N LEU A 132 -5.588 -8.369 6.914 1.00 0.94 N ATOM 1968 CA LEU A 132 -6.947 -7.851 7.018 1.00 0.94 C ATOM 1969 C LEU A 132 -7.941 -8.962 7.348 1.00 1.04 C ATOM 1970 O LEU A 132 -9.103 -8.680 7.638 1.00 1.14 O ATOM 1971 CB LEU A 132 -7.330 -7.080 5.745 1.00 0.90 C ATOM 1972 CG LEU A 132 -6.747 -5.651 5.777 1.00 1.45 C ATOM 1973 CD1 LEU A 132 -5.750 -5.412 4.640 1.00 1.95 C ATOM 1974 CD2 LEU A 132 -7.867 -4.612 5.692 1.00 2.15 C ATOM 0 H LEU A 132 -5.309 -8.622 5.966 1.00 0.94 H new ATOM 0 HA LEU A 132 -6.986 -7.145 7.848 1.00 0.94 H new ATOM 0 HB2 LEU A 132 -6.959 -7.610 4.867 1.00 0.90 H new ATOM 0 HB3 LEU A 132 -8.415 -7.034 5.655 1.00 0.90 H new ATOM 0 HG LEU A 132 -6.217 -5.546 6.724 1.00 1.45 H new ATOM 0 HD11 LEU A 132 -5.365 -4.394 4.701 1.00 1.95 H new ATOM 0 HD12 LEU A 132 -4.924 -6.118 4.726 1.00 1.95 H new ATOM 0 HD13 LEU A 132 -6.250 -5.554 3.682 1.00 1.95 H new ATOM 0 HD21 LEU A 132 -7.437 -3.611 5.716 1.00 2.15 H new ATOM 0 HD22 LEU A 132 -8.419 -4.748 4.762 1.00 2.15 H new ATOM 0 HD23 LEU A 132 -8.544 -4.737 6.537 1.00 2.15 H new ATOM 1986 N ASP A 133 -7.511 -10.223 7.385 1.00 1.05 N ATOM 1987 CA ASP A 133 -8.345 -11.289 7.926 1.00 1.09 C ATOM 1988 C ASP A 133 -8.454 -11.093 9.429 1.00 1.11 C ATOM 1989 O ASP A 133 -9.512 -11.343 10.002 1.00 1.09 O ATOM 1990 CB ASP A 133 -7.825 -12.694 7.574 1.00 1.21 C ATOM 1991 CG ASP A 133 -8.500 -13.275 6.324 1.00 2.01 C ATOM 1992 OD1 ASP A 133 -9.616 -12.806 5.988 1.00 2.48 O ATOM 1993 OD2 ASP A 133 -7.920 -14.223 5.746 1.00 3.09 O ATOM 0 H ASP A 133 -6.597 -10.527 7.049 1.00 1.05 H new ATOM 0 HA ASP A 133 -9.332 -11.227 7.468 1.00 1.09 H new ATOM 0 HB2 ASP A 133 -6.748 -12.649 7.414 1.00 1.21 H new ATOM 0 HB3 ASP A 133 -7.994 -13.362 8.418 1.00 1.21 H new ATOM 1998 N THR A 134 -7.404 -10.554 10.059 1.00 1.17 N ATOM 1999 CA THR A 134 -7.441 -10.173 11.463 1.00 1.23 C ATOM 2000 C THR A 134 -8.509 -9.105 11.757 1.00 1.19 C ATOM 2001 O THR A 134 -8.789 -8.852 12.928 1.00 1.32 O ATOM 2002 CB THR A 134 -6.023 -9.816 11.948 1.00 1.29 C ATOM 2003 OG1 THR A 134 -5.756 -10.503 13.152 1.00 1.55 O ATOM 2004 CG2 THR A 134 -5.806 -8.333 12.218 1.00 1.46 C ATOM 0 H THR A 134 -6.509 -10.373 9.605 1.00 1.17 H new ATOM 0 HA THR A 134 -7.766 -11.029 12.055 1.00 1.23 H new ATOM 0 HB THR A 134 -5.355 -10.106 11.137 1.00 1.29 H new ATOM 0 HG1 THR A 134 -4.854 -10.280 13.463 1.00 1.55 H new ATOM 0 HG21 THR A 134 -4.782 -8.171 12.555 1.00 1.46 H new ATOM 0 HG22 THR A 134 -5.981 -7.767 11.303 1.00 1.46 H new ATOM 0 HG23 THR A 134 -6.499 -7.998 12.990 1.00 1.46 H new ATOM 2012 N THR A 135 -9.127 -8.494 10.738 1.00 1.07 N ATOM 2013 CA THR A 135 -10.167 -7.499 10.922 1.00 1.05 C ATOM 2014 C THR A 135 -11.418 -7.863 10.129 1.00 1.10 C ATOM 2015 O THR A 135 -11.411 -7.900 8.902 1.00 1.92 O ATOM 2016 CB THR A 135 -9.661 -6.130 10.474 1.00 1.09 C ATOM 2017 OG1 THR A 135 -9.099 -6.198 9.175 1.00 1.37 O ATOM 2018 CG2 THR A 135 -8.591 -5.592 11.422 1.00 1.28 C ATOM 0 H THR A 135 -8.911 -8.684 9.760 1.00 1.07 H new ATOM 0 HA THR A 135 -10.424 -7.468 11.981 1.00 1.05 H new ATOM 0 HB THR A 135 -10.523 -5.463 10.477 1.00 1.09 H new ATOM 0 HG1 THR A 135 -9.561 -6.888 8.654 1.00 1.37 H new ATOM 0 HG21 THR A 135 -8.253 -4.616 11.073 1.00 1.28 H new ATOM 0 HG22 THR A 135 -9.009 -5.495 12.424 1.00 1.28 H new ATOM 0 HG23 THR A 135 -7.747 -6.281 11.446 1.00 1.28 H new ATOM 2026 N ASP A 136 -12.543 -8.030 10.804 1.00 1.22 N ATOM 2027 CA ASP A 136 -13.874 -8.237 10.235 1.00 1.17 C ATOM 2028 C ASP A 136 -14.495 -6.916 9.759 1.00 1.19 C ATOM 2029 O ASP A 136 -15.702 -6.722 9.844 1.00 1.49 O ATOM 2030 CB ASP A 136 -14.769 -8.922 11.280 1.00 1.47 C ATOM 2031 CG ASP A 136 -15.072 -8.036 12.494 1.00 1.89 C ATOM 2032 OD1 ASP A 136 -14.167 -7.252 12.869 1.00 2.57 O ATOM 2033 OD2 ASP A 136 -16.173 -8.195 13.064 1.00 2.74 O ATOM 0 H ASP A 136 -12.558 -8.025 11.824 1.00 1.22 H new ATOM 0 HA ASP A 136 -13.786 -8.879 9.359 1.00 1.17 H new ATOM 0 HB2 ASP A 136 -15.708 -9.214 10.809 1.00 1.47 H new ATOM 0 HB3 ASP A 136 -14.284 -9.837 11.619 1.00 1.47 H new ATOM 2038 N ALA A 137 -13.672 -6.019 9.211 1.00 1.15 N ATOM 2039 CA ALA A 137 -14.079 -4.732 8.681 1.00 1.42 C ATOM 2040 C ALA A 137 -14.525 -4.909 7.226 1.00 1.31 C ATOM 2041 O ALA A 137 -15.674 -5.247 6.963 1.00 1.50 O ATOM 2042 CB ALA A 137 -12.890 -3.770 8.836 1.00 1.68 C ATOM 0 H ALA A 137 -12.669 -6.183 9.125 1.00 1.15 H new ATOM 0 HA ALA A 137 -14.929 -4.312 9.219 1.00 1.42 H new ATOM 0 HB1 ALA A 137 -13.162 -2.789 8.446 1.00 1.68 H new ATOM 0 HB2 ALA A 137 -12.629 -3.681 9.890 1.00 1.68 H new ATOM 0 HB3 ALA A 137 -12.035 -4.156 8.281 1.00 1.68 H new ATOM 2048 N ASP A 138 -13.598 -4.720 6.292 1.00 1.24 N ATOM 2049 CA ASP A 138 -13.712 -4.935 4.855 1.00 1.16 C ATOM 2050 C ASP A 138 -12.303 -4.720 4.309 1.00 1.16 C ATOM 2051 O ASP A 138 -11.440 -4.184 5.010 1.00 1.35 O ATOM 2052 CB ASP A 138 -14.655 -3.926 4.194 1.00 1.22 C ATOM 2053 CG ASP A 138 -14.794 -4.220 2.706 1.00 1.21 C ATOM 2054 OD1 ASP A 138 -15.131 -5.381 2.391 1.00 1.93 O ATOM 2055 OD2 ASP A 138 -14.464 -3.313 1.911 1.00 2.38 O ATOM 0 H ASP A 138 -12.669 -4.384 6.544 1.00 1.24 H new ATOM 0 HA ASP A 138 -14.115 -5.926 4.649 1.00 1.16 H new ATOM 0 HB2 ASP A 138 -15.634 -3.967 4.672 1.00 1.22 H new ATOM 0 HB3 ASP A 138 -14.273 -2.915 4.337 1.00 1.22 H new ATOM 2060 N VAL A 139 -12.038 -5.124 3.075 1.00 1.06 N ATOM 2061 CA VAL A 139 -10.782 -4.796 2.433 1.00 1.06 C ATOM 2062 C VAL A 139 -11.086 -4.344 1.015 1.00 1.00 C ATOM 2063 O VAL A 139 -11.729 -5.085 0.275 1.00 1.04 O ATOM 2064 CB VAL A 139 -9.854 -6.007 2.542 1.00 1.10 C ATOM 2065 CG1 VAL A 139 -10.420 -7.269 1.906 1.00 1.52 C ATOM 2066 CG2 VAL A 139 -8.481 -5.727 1.943 1.00 1.27 C ATOM 0 H VAL A 139 -12.676 -5.677 2.503 1.00 1.06 H new ATOM 0 HA VAL A 139 -10.255 -3.971 2.912 1.00 1.06 H new ATOM 0 HB VAL A 139 -9.760 -6.185 3.613 1.00 1.10 H new ATOM 0 HG11 VAL A 139 -9.708 -8.086 2.022 1.00 1.52 H new ATOM 0 HG12 VAL A 139 -11.358 -7.533 2.395 1.00 1.52 H new ATOM 0 HG13 VAL A 139 -10.600 -7.093 0.846 1.00 1.52 H new ATOM 0 HG21 VAL A 139 -7.854 -6.613 2.041 1.00 1.27 H new ATOM 0 HG22 VAL A 139 -8.589 -5.474 0.888 1.00 1.27 H new ATOM 0 HG23 VAL A 139 -8.017 -4.893 2.470 1.00 1.27 H new ATOM 2076 N ALA A 140 -10.617 -3.158 0.621 1.00 0.97 N ATOM 2077 CA ALA A 140 -10.841 -2.675 -0.727 1.00 0.94 C ATOM 2078 C ALA A 140 -9.468 -2.577 -1.365 1.00 0.96 C ATOM 2079 O ALA A 140 -8.590 -1.929 -0.806 1.00 1.13 O ATOM 2080 CB ALA A 140 -11.586 -1.336 -0.708 1.00 0.95 C ATOM 0 H ALA A 140 -10.085 -2.525 1.217 1.00 0.97 H new ATOM 0 HA ALA A 140 -11.476 -3.346 -1.305 1.00 0.94 H new ATOM 0 HB1 ALA A 140 -11.743 -0.993 -1.730 1.00 0.95 H new ATOM 0 HB2 ALA A 140 -12.550 -1.463 -0.216 1.00 0.95 H new ATOM 0 HB3 ALA A 140 -10.995 -0.599 -0.164 1.00 0.95 H new ATOM 2086 N ILE A 141 -9.233 -3.241 -2.492 1.00 0.92 N ATOM 2087 CA ILE A 141 -7.946 -3.202 -3.151 1.00 0.97 C ATOM 2088 C ILE A 141 -8.192 -2.457 -4.449 1.00 0.95 C ATOM 2089 O ILE A 141 -9.218 -2.679 -5.085 1.00 1.02 O ATOM 2090 CB ILE A 141 -7.423 -4.631 -3.387 1.00 1.02 C ATOM 2091 CG1 ILE A 141 -7.458 -5.506 -2.118 1.00 1.37 C ATOM 2092 CG2 ILE A 141 -5.978 -4.568 -3.883 1.00 1.24 C ATOM 2093 CD1 ILE A 141 -8.332 -6.739 -2.349 1.00 1.37 C ATOM 0 H ILE A 141 -9.929 -3.816 -2.967 1.00 0.92 H new ATOM 0 HA ILE A 141 -7.181 -2.704 -2.556 1.00 0.97 H new ATOM 0 HB ILE A 141 -8.083 -5.086 -4.125 1.00 1.02 H new ATOM 0 HG12 ILE A 141 -6.447 -5.813 -1.852 1.00 1.37 H new ATOM 0 HG13 ILE A 141 -7.847 -4.928 -1.280 1.00 1.37 H new ATOM 0 HG21 ILE A 141 -5.606 -5.579 -4.050 1.00 1.24 H new ATOM 0 HG22 ILE A 141 -5.938 -4.007 -4.817 1.00 1.24 H new ATOM 0 HG23 ILE A 141 -5.358 -4.073 -3.136 1.00 1.24 H new ATOM 0 HD11 ILE A 141 -8.348 -7.348 -1.445 1.00 1.37 H new ATOM 0 HD12 ILE A 141 -9.347 -6.425 -2.593 1.00 1.37 H new ATOM 0 HD13 ILE A 141 -7.925 -7.324 -3.174 1.00 1.37 H new ATOM 2105 N TYR A 142 -7.259 -1.610 -4.871 1.00 0.92 N ATOM 2106 CA TYR A 142 -7.339 -0.892 -6.129 1.00 0.90 C ATOM 2107 C TYR A 142 -6.057 -1.118 -6.919 1.00 0.95 C ATOM 2108 O TYR A 142 -4.972 -1.149 -6.339 1.00 1.18 O ATOM 2109 CB TYR A 142 -7.599 0.605 -5.906 1.00 0.89 C ATOM 2110 CG TYR A 142 -6.380 1.365 -5.422 1.00 1.97 C ATOM 2111 CD1 TYR A 142 -6.102 1.438 -4.047 1.00 3.07 C ATOM 2112 CD2 TYR A 142 -5.477 1.911 -6.353 1.00 3.12 C ATOM 2113 CE1 TYR A 142 -4.940 2.083 -3.595 1.00 4.74 C ATOM 2114 CE2 TYR A 142 -4.271 2.483 -5.913 1.00 4.87 C ATOM 2115 CZ TYR A 142 -4.004 2.578 -4.528 1.00 5.56 C ATOM 2116 OH TYR A 142 -2.819 3.079 -4.080 1.00 7.36 O ATOM 0 H TYR A 142 -6.415 -1.403 -4.337 1.00 0.92 H new ATOM 0 HA TYR A 142 -8.183 -1.276 -6.702 1.00 0.90 H new ATOM 0 HB2 TYR A 142 -7.947 1.048 -6.839 1.00 0.89 H new ATOM 0 HB3 TYR A 142 -8.402 0.722 -5.179 1.00 0.89 H new ATOM 0 HD1 TYR A 142 -6.784 0.997 -3.336 1.00 3.07 H new ATOM 0 HD2 TYR A 142 -5.711 1.890 -7.407 1.00 3.12 H new ATOM 0 HE1 TYR A 142 -4.763 2.200 -2.536 1.00 4.74 H new ATOM 0 HE2 TYR A 142 -3.551 2.849 -6.630 1.00 4.87 H new ATOM 0 HH TYR A 142 -2.126 2.935 -4.758 1.00 7.36 H new ATOM 2126 N CYS A 143 -6.191 -1.294 -8.232 1.00 0.86 N ATOM 2127 CA CYS A 143 -5.134 -1.181 -9.222 1.00 0.84 C ATOM 2128 C CYS A 143 -5.797 -1.057 -10.594 1.00 0.94 C ATOM 2129 O CYS A 143 -6.937 -1.479 -10.795 1.00 1.19 O ATOM 2130 CB CYS A 143 -4.203 -2.402 -9.191 1.00 0.86 C ATOM 2131 SG CYS A 143 -2.656 -1.997 -8.332 1.00 1.88 S ATOM 0 H CYS A 143 -7.090 -1.532 -8.651 1.00 0.86 H new ATOM 0 HA CYS A 143 -4.521 -0.306 -9.006 1.00 0.84 H new ATOM 0 HB2 CYS A 143 -4.699 -3.233 -8.688 1.00 0.86 H new ATOM 0 HB3 CYS A 143 -3.987 -2.728 -10.208 1.00 0.86 H new ATOM 0 HG CYS A 143 -2.927 -1.483 -7.169 1.00 1.88 H new ATOM 2137 N ARG A 144 -5.073 -0.521 -11.571 1.00 0.98 N ATOM 2138 CA ARG A 144 -5.393 -0.731 -12.977 1.00 1.15 C ATOM 2139 C ARG A 144 -4.672 -1.990 -13.454 1.00 1.35 C ATOM 2140 O ARG A 144 -3.569 -2.233 -12.980 1.00 1.94 O ATOM 2141 CB ARG A 144 -5.006 0.519 -13.774 1.00 1.31 C ATOM 2142 CG ARG A 144 -3.505 0.839 -13.700 1.00 1.92 C ATOM 2143 CD ARG A 144 -2.791 0.559 -15.030 1.00 3.15 C ATOM 2144 NE ARG A 144 -3.104 1.576 -16.046 1.00 3.24 N ATOM 2145 CZ ARG A 144 -2.714 2.860 -15.995 1.00 3.09 C ATOM 2146 NH1 ARG A 144 -3.087 3.707 -16.955 1.00 3.60 N ATOM 2147 NH2 ARG A 144 -1.960 3.299 -14.989 1.00 3.55 N ATOM 0 H ARG A 144 -4.254 0.066 -11.412 1.00 0.98 H new ATOM 0 HA ARG A 144 -6.462 -0.884 -13.127 1.00 1.15 H new ATOM 0 HB2 ARG A 144 -5.291 0.381 -14.817 1.00 1.31 H new ATOM 0 HB3 ARG A 144 -5.572 1.372 -13.399 1.00 1.31 H new ATOM 0 HG2 ARG A 144 -3.371 1.886 -13.430 1.00 1.92 H new ATOM 0 HG3 ARG A 144 -3.046 0.245 -12.910 1.00 1.92 H new ATOM 0 HD2 ARG A 144 -1.714 0.531 -14.865 1.00 3.15 H new ATOM 0 HD3 ARG A 144 -3.083 -0.424 -15.399 1.00 3.15 H new ATOM 0 HE ARG A 144 -3.659 1.284 -16.850 1.00 3.24 H new ATOM 0 HH11 ARG A 144 -3.668 3.379 -17.727 1.00 3.60 H new ATOM 0 HH12 ARG A 144 -2.792 4.683 -16.917 1.00 3.60 H new ATOM 0 HH21 ARG A 144 -1.674 2.658 -14.249 1.00 3.55 H new ATOM 0 HH22 ARG A 144 -1.669 4.276 -14.959 1.00 3.55 H new ATOM 2161 N ASP A 145 -5.269 -2.745 -14.388 1.00 1.05 N ATOM 2162 CA ASP A 145 -4.634 -3.862 -15.114 1.00 1.14 C ATOM 2163 C ASP A 145 -5.655 -4.709 -15.856 1.00 1.12 C ATOM 2164 O ASP A 145 -5.376 -5.234 -16.928 1.00 1.39 O ATOM 2165 CB ASP A 145 -3.816 -4.810 -14.207 1.00 1.24 C ATOM 2166 CG ASP A 145 -2.319 -4.814 -14.518 1.00 1.47 C ATOM 2167 OD1 ASP A 145 -1.662 -5.760 -14.029 1.00 2.16 O ATOM 2168 OD2 ASP A 145 -1.867 -3.924 -15.272 1.00 2.50 O ATOM 0 H ASP A 145 -6.237 -2.593 -14.670 1.00 1.05 H new ATOM 0 HA ASP A 145 -3.956 -3.372 -15.813 1.00 1.14 H new ATOM 0 HB2 ASP A 145 -3.962 -4.519 -13.167 1.00 1.24 H new ATOM 0 HB3 ASP A 145 -4.203 -5.824 -14.312 1.00 1.24 H new ATOM 2173 N LYS A 146 -6.831 -4.894 -15.257 1.00 1.01 N ATOM 2174 CA LYS A 146 -7.895 -5.776 -15.734 1.00 1.02 C ATOM 2175 C LYS A 146 -7.571 -7.270 -15.636 1.00 1.02 C ATOM 2176 O LYS A 146 -8.334 -7.995 -15.003 1.00 1.02 O ATOM 2177 CB LYS A 146 -8.394 -5.317 -17.102 1.00 1.06 C ATOM 2178 CG LYS A 146 -9.691 -6.029 -17.504 1.00 1.29 C ATOM 2179 CD LYS A 146 -10.554 -5.063 -18.323 1.00 1.80 C ATOM 2180 CE LYS A 146 -11.587 -4.369 -17.422 1.00 2.24 C ATOM 2181 NZ LYS A 146 -12.736 -5.243 -17.104 1.00 3.01 N ATOM 0 H LYS A 146 -7.078 -4.414 -14.392 1.00 1.01 H new ATOM 0 HA LYS A 146 -8.732 -5.678 -15.043 1.00 1.02 H new ATOM 0 HB2 LYS A 146 -8.561 -4.240 -17.085 1.00 1.06 H new ATOM 0 HB3 LYS A 146 -7.627 -5.509 -17.852 1.00 1.06 H new ATOM 0 HG2 LYS A 146 -9.466 -6.921 -18.088 1.00 1.29 H new ATOM 0 HG3 LYS A 146 -10.232 -6.357 -16.616 1.00 1.29 H new ATOM 0 HD2 LYS A 146 -9.920 -4.316 -18.802 1.00 1.80 H new ATOM 0 HD3 LYS A 146 -11.063 -5.606 -19.119 1.00 1.80 H new ATOM 0 HE2 LYS A 146 -11.105 -4.056 -16.496 1.00 2.24 H new ATOM 0 HE3 LYS A 146 -11.947 -3.466 -17.915 1.00 2.24 H new ATOM 0 HZ1 LYS A 146 -13.615 -4.795 -17.435 1.00 3.01 H new ATOM 0 HZ2 LYS A 146 -12.616 -6.161 -17.578 1.00 3.01 H new ATOM 0 HZ3 LYS A 146 -12.787 -5.389 -16.076 1.00 3.01 H new ATOM 2195 N LYS A 147 -6.431 -7.763 -16.128 1.00 1.06 N ATOM 2196 CA LYS A 147 -6.046 -9.144 -15.817 1.00 1.07 C ATOM 2197 C LYS A 147 -6.008 -9.364 -14.308 1.00 1.03 C ATOM 2198 O LYS A 147 -6.236 -10.479 -13.837 1.00 1.03 O ATOM 2199 CB LYS A 147 -4.696 -9.516 -16.448 1.00 1.13 C ATOM 2200 CG LYS A 147 -4.600 -11.042 -16.611 1.00 2.19 C ATOM 2201 CD LYS A 147 -3.178 -11.508 -16.951 1.00 2.98 C ATOM 2202 CE LYS A 147 -2.351 -11.813 -15.694 1.00 4.73 C ATOM 2203 NZ LYS A 147 -2.821 -13.026 -14.978 1.00 6.34 N ATOM 0 H LYS A 147 -5.779 -7.250 -16.722 1.00 1.06 H new ATOM 0 HA LYS A 147 -6.803 -9.799 -16.249 1.00 1.07 H new ATOM 0 HB2 LYS A 147 -4.591 -9.030 -17.418 1.00 1.13 H new ATOM 0 HB3 LYS A 147 -3.880 -9.156 -15.822 1.00 1.13 H new ATOM 0 HG2 LYS A 147 -4.926 -11.524 -15.689 1.00 2.19 H new ATOM 0 HG3 LYS A 147 -5.282 -11.364 -17.398 1.00 2.19 H new ATOM 0 HD2 LYS A 147 -3.229 -12.400 -17.575 1.00 2.98 H new ATOM 0 HD3 LYS A 147 -2.675 -10.738 -17.536 1.00 2.98 H new ATOM 0 HE2 LYS A 147 -1.306 -11.944 -15.975 1.00 4.73 H new ATOM 0 HE3 LYS A 147 -2.395 -10.958 -15.019 1.00 4.73 H new ATOM 0 HZ1 LYS A 147 -2.032 -13.439 -14.441 1.00 6.34 H new ATOM 0 HZ2 LYS A 147 -3.588 -12.768 -14.324 1.00 6.34 H new ATOM 0 HZ3 LYS A 147 -3.173 -13.721 -15.667 1.00 6.34 H new ATOM 2217 N TRP A 148 -5.722 -8.318 -13.533 1.00 1.01 N ATOM 2218 CA TRP A 148 -5.675 -8.466 -12.098 1.00 1.02 C ATOM 2219 C TRP A 148 -7.059 -8.732 -11.537 1.00 1.08 C ATOM 2220 O TRP A 148 -7.167 -9.519 -10.612 1.00 1.08 O ATOM 2221 CB TRP A 148 -4.978 -7.282 -11.418 1.00 1.08 C ATOM 2222 CG TRP A 148 -5.846 -6.099 -11.154 1.00 2.58 C ATOM 2223 CD1 TRP A 148 -6.658 -5.528 -12.061 1.00 3.71 C ATOM 2224 CD2 TRP A 148 -6.150 -5.452 -9.888 1.00 3.80 C ATOM 2225 NE1 TRP A 148 -7.432 -4.559 -11.462 1.00 5.47 N ATOM 2226 CE2 TRP A 148 -7.196 -4.512 -10.106 1.00 5.62 C ATOM 2227 CE3 TRP A 148 -5.707 -5.626 -8.564 1.00 3.72 C ATOM 2228 CZ2 TRP A 148 -7.790 -3.798 -9.062 1.00 7.17 C ATOM 2229 CZ3 TRP A 148 -6.337 -4.959 -7.502 1.00 5.30 C ATOM 2230 CH2 TRP A 148 -7.368 -4.043 -7.747 1.00 6.98 C ATOM 0 H TRP A 148 -5.524 -7.378 -13.877 1.00 1.01 H new ATOM 0 HA TRP A 148 -5.063 -9.339 -11.872 1.00 1.02 H new ATOM 0 HB2 TRP A 148 -4.559 -7.623 -10.471 1.00 1.08 H new ATOM 0 HB3 TRP A 148 -4.142 -6.967 -12.042 1.00 1.08 H new ATOM 0 HD1 TRP A 148 -6.698 -5.791 -13.108 1.00 3.71 H new ATOM 0 HE1 TRP A 148 -8.091 -3.957 -11.956 1.00 5.47 H new ATOM 0 HE3 TRP A 148 -4.872 -6.281 -8.362 1.00 3.72 H new ATOM 0 HZ2 TRP A 148 -8.561 -3.070 -9.264 1.00 7.17 H new ATOM 0 HZ3 TRP A 148 -6.024 -5.154 -6.487 1.00 5.30 H new ATOM 0 HH2 TRP A 148 -7.838 -3.526 -6.924 1.00 6.98 H new ATOM 2241 N GLU A 149 -8.120 -8.135 -12.085 1.00 1.19 N ATOM 2242 CA GLU A 149 -9.448 -8.351 -11.544 1.00 1.29 C ATOM 2243 C GLU A 149 -9.921 -9.740 -11.937 1.00 1.28 C ATOM 2244 O GLU A 149 -10.650 -10.366 -11.179 1.00 1.36 O ATOM 2245 CB GLU A 149 -10.441 -7.253 -11.946 1.00 1.40 C ATOM 2246 CG GLU A 149 -10.818 -7.237 -13.433 1.00 2.40 C ATOM 2247 CD GLU A 149 -12.208 -6.660 -13.717 1.00 2.99 C ATOM 2248 OE1 GLU A 149 -12.289 -5.821 -14.647 1.00 3.91 O ATOM 2249 OE2 GLU A 149 -13.181 -7.093 -13.060 1.00 3.37 O ATOM 0 H GLU A 149 -8.080 -7.510 -12.890 1.00 1.19 H new ATOM 0 HA GLU A 149 -9.396 -8.291 -10.457 1.00 1.29 H new ATOM 0 HB2 GLU A 149 -11.350 -7.372 -11.357 1.00 1.40 H new ATOM 0 HB3 GLU A 149 -10.015 -6.284 -11.683 1.00 1.40 H new ATOM 0 HG2 GLU A 149 -10.076 -6.655 -13.979 1.00 2.40 H new ATOM 0 HG3 GLU A 149 -10.772 -8.255 -13.820 1.00 2.40 H new ATOM 2256 N MET A 150 -9.481 -10.261 -13.087 1.00 1.24 N ATOM 2257 CA MET A 150 -9.805 -11.626 -13.442 1.00 1.29 C ATOM 2258 C MET A 150 -9.209 -12.548 -12.388 1.00 1.18 C ATOM 2259 O MET A 150 -9.927 -13.298 -11.732 1.00 1.19 O ATOM 2260 CB MET A 150 -9.269 -11.961 -14.836 1.00 1.36 C ATOM 2261 CG MET A 150 -10.277 -11.619 -15.936 1.00 1.36 C ATOM 2262 SD MET A 150 -10.308 -12.815 -17.297 1.00 2.08 S ATOM 2263 CE MET A 150 -11.179 -14.184 -16.478 1.00 3.38 C ATOM 0 H MET A 150 -8.911 -9.761 -13.769 1.00 1.24 H new ATOM 0 HA MET A 150 -10.886 -11.759 -13.472 1.00 1.29 H new ATOM 0 HB2 MET A 150 -8.343 -11.413 -15.010 1.00 1.36 H new ATOM 0 HB3 MET A 150 -9.025 -13.022 -14.885 1.00 1.36 H new ATOM 0 HG2 MET A 150 -11.273 -11.557 -15.497 1.00 1.36 H new ATOM 0 HG3 MET A 150 -10.043 -10.633 -16.337 1.00 1.36 H new ATOM 0 HE1 MET A 150 -11.382 -14.972 -17.203 1.00 3.38 H new ATOM 0 HE2 MET A 150 -10.558 -14.582 -15.675 1.00 3.38 H new ATOM 0 HE3 MET A 150 -12.120 -13.821 -16.064 1.00 3.38 H new ATOM 2273 N THR A 151 -7.894 -12.478 -12.204 1.00 1.11 N ATOM 2274 CA THR A 151 -7.207 -13.395 -11.316 1.00 1.07 C ATOM 2275 C THR A 151 -7.688 -13.242 -9.877 1.00 1.01 C ATOM 2276 O THR A 151 -7.909 -14.228 -9.178 1.00 1.00 O ATOM 2277 CB THR A 151 -5.689 -13.181 -11.445 1.00 1.10 C ATOM 2278 OG1 THR A 151 -5.261 -12.995 -12.790 1.00 1.11 O ATOM 2279 CG2 THR A 151 -4.960 -14.398 -10.903 1.00 1.23 C ATOM 0 H THR A 151 -7.288 -11.795 -12.659 1.00 1.11 H new ATOM 0 HA THR A 151 -7.439 -14.420 -11.606 1.00 1.07 H new ATOM 0 HB THR A 151 -5.459 -12.276 -10.882 1.00 1.10 H new ATOM 0 HG1 THR A 151 -5.463 -12.079 -13.074 1.00 1.11 H new ATOM 0 HG21 THR A 151 -3.884 -14.248 -10.994 1.00 1.23 H new ATOM 0 HG22 THR A 151 -5.219 -14.540 -9.854 1.00 1.23 H new ATOM 0 HG23 THR A 151 -5.252 -15.281 -11.472 1.00 1.23 H new ATOM 2287 N LEU A 152 -7.887 -12.007 -9.433 1.00 1.00 N ATOM 2288 CA LEU A 152 -8.401 -11.726 -8.107 1.00 0.99 C ATOM 2289 C LEU A 152 -9.811 -12.257 -7.976 1.00 1.02 C ATOM 2290 O LEU A 152 -10.149 -12.744 -6.909 1.00 1.00 O ATOM 2291 CB LEU A 152 -8.385 -10.226 -7.795 1.00 1.13 C ATOM 2292 CG LEU A 152 -7.021 -9.783 -7.256 1.00 1.12 C ATOM 2293 CD1 LEU A 152 -6.759 -8.319 -7.584 1.00 1.95 C ATOM 2294 CD2 LEU A 152 -6.984 -9.937 -5.734 1.00 2.08 C ATOM 0 H LEU A 152 -7.695 -11.173 -9.987 1.00 1.00 H new ATOM 0 HA LEU A 152 -7.749 -12.225 -7.390 1.00 0.99 H new ATOM 0 HB2 LEU A 152 -8.622 -9.662 -8.697 1.00 1.13 H new ATOM 0 HB3 LEU A 152 -9.159 -9.997 -7.063 1.00 1.13 H new ATOM 0 HG LEU A 152 -6.261 -10.409 -7.724 1.00 1.12 H new ATOM 0 HD11 LEU A 152 -5.785 -8.027 -7.192 1.00 1.95 H new ATOM 0 HD12 LEU A 152 -6.771 -8.181 -8.665 1.00 1.95 H new ATOM 0 HD13 LEU A 152 -7.533 -7.700 -7.130 1.00 1.95 H new ATOM 0 HD21 LEU A 152 -6.011 -9.620 -5.360 1.00 2.08 H new ATOM 0 HD22 LEU A 152 -7.763 -9.320 -5.287 1.00 2.08 H new ATOM 0 HD23 LEU A 152 -7.152 -10.981 -5.470 1.00 2.08 H new ATOM 2306 N LYS A 153 -10.654 -12.181 -9.006 1.00 1.10 N ATOM 2307 CA LYS A 153 -12.009 -12.697 -8.845 1.00 1.17 C ATOM 2308 C LYS A 153 -11.973 -14.213 -8.800 1.00 1.17 C ATOM 2309 O LYS A 153 -12.801 -14.812 -8.132 1.00 1.19 O ATOM 2310 CB LYS A 153 -12.970 -12.207 -9.933 1.00 1.38 C ATOM 2311 CG LYS A 153 -13.453 -10.781 -9.636 1.00 1.21 C ATOM 2312 CD LYS A 153 -14.719 -10.471 -10.439 1.00 2.00 C ATOM 2313 CE LYS A 153 -15.091 -8.999 -10.244 1.00 2.72 C ATOM 2314 NZ LYS A 153 -16.414 -8.688 -10.825 1.00 3.93 N ATOM 0 H LYS A 153 -10.436 -11.786 -9.921 1.00 1.10 H new ATOM 0 HA LYS A 153 -12.397 -12.309 -7.903 1.00 1.17 H new ATOM 0 HB2 LYS A 153 -12.472 -12.232 -10.902 1.00 1.38 H new ATOM 0 HB3 LYS A 153 -13.826 -12.879 -9.997 1.00 1.38 H new ATOM 0 HG2 LYS A 153 -13.654 -10.673 -8.570 1.00 1.21 H new ATOM 0 HG3 LYS A 153 -12.670 -10.065 -9.887 1.00 1.21 H new ATOM 0 HD2 LYS A 153 -14.554 -10.680 -11.496 1.00 2.00 H new ATOM 0 HD3 LYS A 153 -15.538 -11.112 -10.112 1.00 2.00 H new ATOM 0 HE2 LYS A 153 -15.096 -8.763 -9.180 1.00 2.72 H new ATOM 0 HE3 LYS A 153 -14.333 -8.368 -10.707 1.00 2.72 H new ATOM 0 HZ1 LYS A 153 -16.632 -7.682 -10.674 1.00 3.93 H new ATOM 0 HZ2 LYS A 153 -16.401 -8.890 -11.845 1.00 3.93 H new ATOM 0 HZ3 LYS A 153 -17.141 -9.273 -10.366 1.00 3.93 H new ATOM 2328 N GLU A 154 -11.017 -14.838 -9.481 1.00 1.17 N ATOM 2329 CA GLU A 154 -10.891 -16.286 -9.518 1.00 1.23 C ATOM 2330 C GLU A 154 -10.528 -16.761 -8.111 1.00 1.15 C ATOM 2331 O GLU A 154 -11.165 -17.633 -7.531 1.00 1.24 O ATOM 2332 CB GLU A 154 -9.837 -16.659 -10.580 1.00 1.31 C ATOM 2333 CG GLU A 154 -10.258 -17.845 -11.453 1.00 1.56 C ATOM 2334 CD GLU A 154 -10.023 -19.185 -10.761 1.00 2.78 C ATOM 2335 OE1 GLU A 154 -11.026 -19.790 -10.326 1.00 4.19 O ATOM 2336 OE2 GLU A 154 -8.839 -19.582 -10.684 1.00 3.26 O ATOM 0 H GLU A 154 -10.306 -14.349 -10.024 1.00 1.17 H new ATOM 0 HA GLU A 154 -11.820 -16.780 -9.804 1.00 1.23 H new ATOM 0 HB2 GLU A 154 -9.650 -15.795 -11.217 1.00 1.31 H new ATOM 0 HB3 GLU A 154 -8.897 -16.897 -10.082 1.00 1.31 H new ATOM 0 HG2 GLU A 154 -11.314 -17.750 -11.707 1.00 1.56 H new ATOM 0 HG3 GLU A 154 -9.701 -17.820 -12.390 1.00 1.56 H new ATOM 2343 N ALA A 155 -9.537 -16.113 -7.508 1.00 1.04 N ATOM 2344 CA ALA A 155 -9.057 -16.461 -6.182 1.00 1.02 C ATOM 2345 C ALA A 155 -10.064 -16.087 -5.108 1.00 0.96 C ATOM 2346 O ALA A 155 -10.220 -16.830 -4.145 1.00 1.00 O ATOM 2347 CB ALA A 155 -7.708 -15.783 -5.928 1.00 1.02 C ATOM 0 H ALA A 155 -9.043 -15.327 -7.931 1.00 1.04 H new ATOM 0 HA ALA A 155 -8.926 -17.542 -6.135 1.00 1.02 H new ATOM 0 HB1 ALA A 155 -7.350 -16.046 -4.932 1.00 1.02 H new ATOM 0 HB2 ALA A 155 -6.986 -16.118 -6.673 1.00 1.02 H new ATOM 0 HB3 ALA A 155 -7.826 -14.702 -5.997 1.00 1.02 H new ATOM 2353 N VAL A 156 -10.765 -14.967 -5.257 1.00 0.93 N ATOM 2354 CA VAL A 156 -11.841 -14.613 -4.356 1.00 0.94 C ATOM 2355 C VAL A 156 -12.983 -15.618 -4.535 1.00 1.02 C ATOM 2356 O VAL A 156 -13.678 -15.924 -3.575 1.00 1.10 O ATOM 2357 CB VAL A 156 -12.240 -13.144 -4.591 1.00 0.93 C ATOM 2358 CG1 VAL A 156 -13.577 -12.794 -3.942 1.00 0.96 C ATOM 2359 CG2 VAL A 156 -11.153 -12.218 -4.020 1.00 0.89 C ATOM 0 H VAL A 156 -10.600 -14.289 -6.001 1.00 0.93 H new ATOM 0 HA VAL A 156 -11.535 -14.675 -3.312 1.00 0.94 H new ATOM 0 HB VAL A 156 -12.342 -13.005 -5.667 1.00 0.93 H new ATOM 0 HG11 VAL A 156 -13.813 -11.748 -4.137 1.00 0.96 H new ATOM 0 HG12 VAL A 156 -14.361 -13.427 -4.359 1.00 0.96 H new ATOM 0 HG13 VAL A 156 -13.513 -12.957 -2.866 1.00 0.96 H new ATOM 0 HG21 VAL A 156 -11.436 -11.179 -4.187 1.00 0.89 H new ATOM 0 HG22 VAL A 156 -11.047 -12.398 -2.950 1.00 0.89 H new ATOM 0 HG23 VAL A 156 -10.205 -12.420 -4.518 1.00 0.89 H new ATOM 2369 N ALA A 157 -13.149 -16.184 -5.733 1.00 1.06 N ATOM 2370 CA ALA A 157 -14.233 -17.132 -5.990 1.00 1.19 C ATOM 2371 C ALA A 157 -13.869 -18.527 -5.491 1.00 1.26 C ATOM 2372 O ALA A 157 -14.735 -19.372 -5.311 1.00 1.58 O ATOM 2373 CB ALA A 157 -14.555 -17.184 -7.482 1.00 1.29 C ATOM 0 H ALA A 157 -12.548 -16.002 -6.537 1.00 1.06 H new ATOM 0 HA ALA A 157 -15.113 -16.788 -5.447 1.00 1.19 H new ATOM 0 HB1 ALA A 157 -15.364 -17.894 -7.655 1.00 1.29 H new ATOM 0 HB2 ALA A 157 -14.861 -16.195 -7.823 1.00 1.29 H new ATOM 0 HB3 ALA A 157 -13.670 -17.500 -8.034 1.00 1.29 H new ATOM 2379 N ARG A 158 -12.577 -18.811 -5.340 1.00 1.24 N ATOM 2380 CA ARG A 158 -12.096 -20.012 -4.686 1.00 1.40 C ATOM 2381 C ARG A 158 -11.911 -19.828 -3.181 1.00 1.40 C ATOM 2382 O ARG A 158 -11.762 -20.811 -2.457 1.00 1.59 O ATOM 2383 CB ARG A 158 -10.817 -20.486 -5.381 1.00 1.52 C ATOM 2384 CG ARG A 158 -10.612 -21.999 -5.227 1.00 2.16 C ATOM 2385 CD ARG A 158 -9.146 -22.315 -4.924 1.00 2.98 C ATOM 2386 NE ARG A 158 -8.798 -21.931 -3.546 1.00 4.70 N ATOM 2387 CZ ARG A 158 -9.056 -22.659 -2.452 1.00 6.06 C ATOM 2388 NH1 ARG A 158 -8.723 -22.195 -1.247 1.00 7.88 N ATOM 2389 NH2 ARG A 158 -9.631 -23.858 -2.560 1.00 6.32 N ATOM 0 H ARG A 158 -11.831 -18.202 -5.675 1.00 1.24 H new ATOM 0 HA ARG A 158 -12.855 -20.788 -4.783 1.00 1.40 H new ATOM 0 HB2 ARG A 158 -10.863 -20.231 -6.440 1.00 1.52 H new ATOM 0 HB3 ARG A 158 -9.959 -19.959 -4.963 1.00 1.52 H new ATOM 0 HG2 ARG A 158 -11.245 -22.377 -4.424 1.00 2.16 H new ATOM 0 HG3 ARG A 158 -10.918 -22.508 -6.141 1.00 2.16 H new ATOM 0 HD2 ARG A 158 -8.963 -23.380 -5.066 1.00 2.98 H new ATOM 0 HD3 ARG A 158 -8.503 -21.785 -5.627 1.00 2.98 H new ATOM 0 HE ARG A 158 -8.322 -21.039 -3.414 1.00 4.70 H new ATOM 0 HH11 ARG A 158 -8.271 -21.285 -1.158 1.00 7.88 H new ATOM 0 HH12 ARG A 158 -8.920 -22.750 -0.414 1.00 7.88 H new ATOM 0 HH21 ARG A 158 -9.877 -24.225 -3.480 1.00 6.32 H new ATOM 0 HH22 ARG A 158 -9.825 -24.408 -1.723 1.00 6.32 H new ATOM 2403 N ARG A 159 -11.839 -18.584 -2.702 1.00 1.23 N ATOM 2404 CA ARG A 159 -11.734 -18.310 -1.269 1.00 1.26 C ATOM 2405 C ARG A 159 -12.996 -18.733 -0.526 1.00 1.30 C ATOM 2406 O ARG A 159 -12.880 -19.116 0.637 1.00 1.50 O ATOM 2407 CB ARG A 159 -11.468 -16.821 -1.008 1.00 1.45 C ATOM 2408 CG ARG A 159 -9.984 -16.447 -1.115 1.00 1.86 C ATOM 2409 CD ARG A 159 -9.356 -16.261 0.272 1.00 2.18 C ATOM 2410 NE ARG A 159 -9.201 -17.530 1.000 1.00 3.15 N ATOM 2411 CZ ARG A 159 -8.056 -18.214 1.133 1.00 3.39 C ATOM 2412 NH1 ARG A 159 -7.989 -19.250 1.972 1.00 4.79 N ATOM 2413 NH2 ARG A 159 -6.976 -17.870 0.427 1.00 3.38 N ATOM 0 H ARG A 159 -11.852 -17.749 -3.288 1.00 1.23 H new ATOM 0 HA ARG A 159 -10.893 -18.895 -0.896 1.00 1.26 H new ATOM 0 HB2 ARG A 159 -12.039 -16.226 -1.721 1.00 1.45 H new ATOM 0 HB3 ARG A 159 -11.831 -16.562 -0.013 1.00 1.45 H new ATOM 0 HG2 ARG A 159 -9.448 -17.226 -1.658 1.00 1.86 H new ATOM 0 HG3 ARG A 159 -9.879 -15.527 -1.691 1.00 1.86 H new ATOM 0 HD2 ARG A 159 -8.380 -15.787 0.164 1.00 2.18 H new ATOM 0 HD3 ARG A 159 -9.976 -15.583 0.859 1.00 2.18 H new ATOM 0 HE ARG A 159 -10.034 -17.922 1.440 1.00 3.15 H new ATOM 0 HH11 ARG A 159 -8.810 -19.522 2.513 1.00 4.79 H new ATOM 0 HH12 ARG A 159 -7.117 -19.770 2.072 1.00 4.79 H new ATOM 0 HH21 ARG A 159 -7.019 -17.082 -0.219 1.00 3.38 H new ATOM 0 HH22 ARG A 159 -6.108 -18.395 0.534 1.00 3.38 H new ATOM 2427 N GLU A 160 -14.170 -18.628 -1.148 1.00 1.30 N ATOM 2428 CA GLU A 160 -15.450 -18.941 -0.541 1.00 1.45 C ATOM 2429 C GLU A 160 -16.369 -19.476 -1.626 1.00 2.56 C ATOM 2430 O GLU A 160 -17.216 -20.332 -1.290 1.00 3.37 O ATOM 2431 CB GLU A 160 -16.054 -17.710 0.161 1.00 2.78 C ATOM 2432 CG GLU A 160 -16.245 -16.471 -0.732 1.00 3.51 C ATOM 2433 CD GLU A 160 -17.122 -15.409 -0.054 1.00 5.34 C ATOM 2434 OE1 GLU A 160 -18.354 -15.436 -0.282 1.00 5.65 O ATOM 2435 OE2 GLU A 160 -16.553 -14.566 0.677 1.00 6.84 O ATOM 0 H GLU A 160 -14.252 -18.314 -2.115 1.00 1.30 H new ATOM 0 HA GLU A 160 -15.319 -19.698 0.232 1.00 1.45 H new ATOM 0 HB2 GLU A 160 -17.021 -17.989 0.579 1.00 2.78 H new ATOM 0 HB3 GLU A 160 -15.411 -17.438 0.998 1.00 2.78 H new ATOM 0 HG2 GLU A 160 -15.272 -16.041 -0.970 1.00 3.51 H new ATOM 0 HG3 GLU A 160 -16.701 -16.770 -1.676 1.00 3.51 H new TER 2442 GLU A 160