USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 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 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 1 SER N :NH3+ 134:sc= -1.73! (180deg=-2.02!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HE2:sc= -9.42! C(o=-9.4!,f=-6.1!) USER MOD Single : A 3 SER OG : rot 168:sc= 0.98 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 4:sc= -1.26 USER MOD Single : A 9 THR OG1 : rot -75:sc= 0.908 USER MOD Single : A 14 THR OG1 : rot 54:sc= 0.992 USER MOD Single : A 15 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3.2!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -2.96! C(o=-3!,f=-6!) USER MOD Single : A 40 SER OG : rot 11:sc= 0.468 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -76:sc= -0.684! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -150:sc=-6.45e-05 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.671 -1.687 10.201 1.00 5.41 N ATOM 2 CA SER A 1 -5.351 -2.907 10.598 1.00 4.91 C ATOM 3 C SER A 1 -4.332 -3.942 11.080 1.00 4.15 C ATOM 4 O SER A 1 -4.271 -4.251 12.269 1.00 4.63 O ATOM 5 CB SER A 1 -6.179 -3.476 9.443 1.00 5.41 C ATOM 6 OG SER A 1 -7.502 -2.947 9.424 1.00 6.55 O ATOM 0 H1 SER A 1 -5.048 -1.361 9.288 1.00 5.41 H new ATOM 0 H2 SER A 1 -4.826 -0.953 10.921 1.00 5.41 H new ATOM 0 H3 SER A 1 -3.652 -1.872 10.109 1.00 5.41 H new ATOM 0 HA SER A 1 -6.031 -2.669 11.416 1.00 4.91 H new ATOM 0 HB2 SER A 1 -5.685 -3.251 8.498 1.00 5.41 H new ATOM 0 HB3 SER A 1 -6.224 -4.562 9.529 1.00 5.41 H new ATOM 0 HG SER A 1 -7.998 -3.333 8.672 1.00 6.55 H new ATOM 12 N HIS A 2 -3.557 -4.448 10.132 1.00 3.58 N ATOM 13 CA HIS A 2 -2.543 -5.440 10.445 1.00 3.12 C ATOM 14 C HIS A 2 -1.782 -5.816 9.172 1.00 2.66 C ATOM 15 O HIS A 2 -2.387 -6.025 8.121 1.00 2.98 O ATOM 16 CB HIS A 2 -3.166 -6.651 11.143 1.00 3.87 C ATOM 17 CG HIS A 2 -4.629 -6.855 10.831 1.00 4.87 C ATOM 18 ND1 HIS A 2 -5.557 -7.221 11.790 1.00 5.66 N ATOM 19 CD2 HIS A 2 -5.315 -6.738 9.657 1.00 5.91 C ATOM 20 CE1 HIS A 2 -6.744 -7.319 11.209 1.00 6.72 C ATOM 21 NE2 HIS A 2 -6.592 -7.019 9.888 1.00 6.97 N ATOM 0 H HIS A 2 -3.611 -4.189 9.147 1.00 3.58 H new ATOM 0 HA HIS A 2 -1.822 -5.020 11.146 1.00 3.12 H new ATOM 0 HB2 HIS A 2 -2.615 -7.546 10.855 1.00 3.87 H new ATOM 0 HB3 HIS A 2 -3.047 -6.537 12.221 1.00 3.87 H new ATOM 0 HD1 HIS A 2 -5.361 -7.387 12.777 1.00 5.66 H new ATOM 0 HD2 HIS A 2 -4.891 -6.464 8.702 1.00 5.91 H new ATOM 0 HE1 HIS A 2 -7.669 -7.589 11.696 1.00 6.72 H new ATOM 29 N SER A 3 -0.466 -5.891 9.308 1.00 2.17 N ATOM 30 CA SER A 3 0.384 -6.237 8.182 1.00 1.86 C ATOM 31 C SER A 3 0.184 -5.231 7.046 1.00 1.70 C ATOM 32 O SER A 3 -0.792 -4.483 7.040 1.00 2.04 O ATOM 33 CB SER A 3 0.096 -7.658 7.691 1.00 2.18 C ATOM 34 OG SER A 3 1.000 -8.061 6.666 1.00 2.30 O ATOM 0 H SER A 3 0.032 -5.718 10.181 1.00 2.17 H new ATOM 0 HA SER A 3 1.422 -6.199 8.513 1.00 1.86 H new ATOM 0 HB2 SER A 3 0.165 -8.352 8.529 1.00 2.18 H new ATOM 0 HB3 SER A 3 -0.926 -7.712 7.315 1.00 2.18 H new ATOM 0 HG SER A 3 0.918 -9.026 6.518 1.00 2.30 H new ATOM 40 N VAL A 4 1.123 -5.248 6.112 1.00 1.58 N ATOM 41 CA VAL A 4 1.062 -4.348 4.973 1.00 1.46 C ATOM 42 C VAL A 4 1.759 -4.997 3.776 1.00 1.53 C ATOM 43 O VAL A 4 1.114 -5.332 2.784 1.00 2.82 O ATOM 44 CB VAL A 4 1.659 -2.989 5.348 1.00 1.55 C ATOM 45 CG1 VAL A 4 1.840 -2.109 4.110 1.00 1.99 C ATOM 46 CG2 VAL A 4 0.800 -2.285 6.401 1.00 2.88 C ATOM 0 H VAL A 4 1.931 -5.871 6.121 1.00 1.58 H new ATOM 0 HA VAL A 4 0.026 -4.166 4.686 1.00 1.46 H new ATOM 0 HB VAL A 4 2.644 -3.164 5.781 1.00 1.55 H new ATOM 0 HG11 VAL A 4 2.266 -1.150 4.405 1.00 1.99 H new ATOM 0 HG12 VAL A 4 2.511 -2.603 3.407 1.00 1.99 H new ATOM 0 HG13 VAL A 4 0.873 -1.946 3.635 1.00 1.99 H new ATOM 0 HG21 VAL A 4 1.246 -1.322 6.650 1.00 2.88 H new ATOM 0 HG22 VAL A 4 -0.204 -2.129 6.006 1.00 2.88 H new ATOM 0 HG23 VAL A 4 0.745 -2.902 7.298 1.00 2.88 H new ATOM 56 N LYS A 5 3.068 -5.153 3.909 1.00 1.17 N ATOM 57 CA LYS A 5 3.861 -5.757 2.851 1.00 1.16 C ATOM 58 C LYS A 5 3.383 -5.228 1.497 1.00 1.18 C ATOM 59 O LYS A 5 2.695 -4.209 1.432 1.00 1.50 O ATOM 60 CB LYS A 5 3.828 -7.283 2.961 1.00 1.21 C ATOM 61 CG LYS A 5 5.111 -7.900 2.399 1.00 1.44 C ATOM 62 CD LYS A 5 4.793 -9.067 1.461 1.00 2.02 C ATOM 63 CE LYS A 5 5.374 -10.375 1.998 1.00 2.55 C ATOM 64 NZ LYS A 5 5.545 -11.355 0.902 1.00 3.39 N ATOM 0 H LYS A 5 3.599 -4.872 4.733 1.00 1.17 H new ATOM 0 HA LYS A 5 4.909 -5.476 2.952 1.00 1.16 H new ATOM 0 HB2 LYS A 5 3.707 -7.574 4.005 1.00 1.21 H new ATOM 0 HB3 LYS A 5 2.966 -7.672 2.420 1.00 1.21 H new ATOM 0 HG2 LYS A 5 5.679 -7.141 1.861 1.00 1.44 H new ATOM 0 HG3 LYS A 5 5.740 -8.248 3.218 1.00 1.44 H new ATOM 0 HD2 LYS A 5 3.713 -9.164 1.348 1.00 2.02 H new ATOM 0 HD3 LYS A 5 5.200 -8.864 0.471 1.00 2.02 H new ATOM 0 HE2 LYS A 5 6.335 -10.184 2.476 1.00 2.55 H new ATOM 0 HE3 LYS A 5 4.714 -10.786 2.762 1.00 2.55 H new ATOM 0 HZ1 LYS A 5 5.941 -12.238 1.284 1.00 3.39 H new ATOM 0 HZ2 LYS A 5 4.622 -11.550 0.464 1.00 3.39 H new ATOM 0 HZ3 LYS A 5 6.193 -10.967 0.187 1.00 3.39 H new ATOM 78 N ILE A 6 3.764 -5.943 0.450 1.00 1.21 N ATOM 79 CA ILE A 6 3.384 -5.558 -0.899 1.00 1.29 C ATOM 80 C ILE A 6 2.278 -6.490 -1.397 1.00 1.21 C ATOM 81 O ILE A 6 2.502 -7.686 -1.576 1.00 1.74 O ATOM 82 CB ILE A 6 4.611 -5.518 -1.812 1.00 1.57 C ATOM 83 CG1 ILE A 6 5.839 -5.003 -1.058 1.00 1.89 C ATOM 84 CG2 ILE A 6 4.330 -4.700 -3.074 1.00 1.96 C ATOM 85 CD1 ILE A 6 5.630 -3.561 -0.591 1.00 2.10 C ATOM 0 H ILE A 6 4.333 -6.788 0.508 1.00 1.21 H new ATOM 0 HA ILE A 6 2.978 -4.546 -0.906 1.00 1.29 H new ATOM 0 HB ILE A 6 4.832 -6.537 -2.131 1.00 1.57 H new ATOM 0 HG12 ILE A 6 6.037 -5.643 -0.198 1.00 1.89 H new ATOM 0 HG13 ILE A 6 6.716 -5.057 -1.704 1.00 1.89 H new ATOM 0 HG21 ILE A 6 5.219 -4.688 -3.705 1.00 1.96 H new ATOM 0 HG22 ILE A 6 3.502 -5.149 -3.622 1.00 1.96 H new ATOM 0 HG23 ILE A 6 4.069 -3.679 -2.795 1.00 1.96 H new ATOM 0 HD11 ILE A 6 6.517 -3.219 -0.058 1.00 2.10 H new ATOM 0 HD12 ILE A 6 5.456 -2.920 -1.455 1.00 2.10 H new ATOM 0 HD13 ILE A 6 4.767 -3.515 0.074 1.00 2.10 H new ATOM 97 N TYR A 7 1.106 -5.907 -1.609 1.00 0.81 N ATOM 98 CA TYR A 7 -0.035 -6.671 -2.082 1.00 0.70 C ATOM 99 C TYR A 7 -0.904 -5.830 -3.021 1.00 0.56 C ATOM 100 O TYR A 7 -0.896 -4.603 -2.948 1.00 0.59 O ATOM 101 CB TYR A 7 -0.848 -7.029 -0.837 1.00 0.76 C ATOM 102 CG TYR A 7 -0.084 -7.873 0.184 1.00 1.18 C ATOM 103 CD1 TYR A 7 0.681 -8.941 -0.237 1.00 1.50 C ATOM 104 CD2 TYR A 7 -0.157 -7.564 1.528 1.00 2.78 C ATOM 105 CE1 TYR A 7 1.401 -9.735 0.725 1.00 1.72 C ATOM 106 CE2 TYR A 7 0.563 -8.357 2.489 1.00 3.19 C ATOM 107 CZ TYR A 7 1.307 -9.404 2.041 1.00 2.10 C ATOM 108 OH TYR A 7 1.987 -10.153 2.949 1.00 2.57 O ATOM 0 H TYR A 7 0.923 -4.914 -1.462 1.00 0.81 H new ATOM 0 HA TYR A 7 0.293 -7.552 -2.633 1.00 0.70 H new ATOM 0 HB2 TYR A 7 -1.181 -6.109 -0.356 1.00 0.76 H new ATOM 0 HB3 TYR A 7 -1.743 -7.570 -1.143 1.00 0.76 H new ATOM 0 HD1 TYR A 7 0.740 -9.182 -1.288 1.00 1.50 H new ATOM 0 HD2 TYR A 7 -0.755 -6.727 1.858 1.00 2.78 H new ATOM 0 HE1 TYR A 7 2.002 -10.575 0.409 1.00 1.72 H new ATOM 0 HE2 TYR A 7 0.514 -8.126 3.543 1.00 3.19 H new ATOM 0 HH TYR A 7 2.524 -10.826 2.481 1.00 2.57 H new ATOM 118 N ASP A 8 -1.635 -6.526 -3.880 1.00 0.46 N ATOM 119 CA ASP A 8 -2.508 -5.860 -4.831 1.00 0.40 C ATOM 120 C ASP A 8 -3.869 -5.608 -4.178 1.00 0.40 C ATOM 121 O ASP A 8 -4.908 -5.801 -4.806 1.00 0.55 O ATOM 122 CB ASP A 8 -2.733 -6.727 -6.072 1.00 0.50 C ATOM 123 CG ASP A 8 -3.017 -8.203 -5.787 1.00 0.91 C ATOM 124 OD1 ASP A 8 -2.058 -8.899 -5.390 1.00 2.28 O ATOM 125 OD2 ASP A 8 -4.187 -8.602 -5.974 1.00 1.51 O ATOM 0 H ASP A 8 -1.640 -7.544 -3.937 1.00 0.46 H new ATOM 0 HA ASP A 8 -2.034 -4.924 -5.125 1.00 0.40 H new ATOM 0 HB2 ASP A 8 -3.568 -6.315 -6.638 1.00 0.50 H new ATOM 0 HB3 ASP A 8 -1.851 -6.659 -6.709 1.00 0.50 H new ATOM 130 N THR A 9 -3.817 -5.179 -2.925 1.00 0.44 N ATOM 131 CA THR A 9 -5.033 -4.898 -2.180 1.00 0.54 C ATOM 132 C THR A 9 -5.369 -3.407 -2.252 1.00 0.45 C ATOM 133 O THR A 9 -4.858 -2.613 -1.464 1.00 0.46 O ATOM 134 CB THR A 9 -4.840 -5.409 -0.751 1.00 0.72 C ATOM 135 OG1 THR A 9 -6.045 -5.042 -0.085 1.00 0.89 O ATOM 136 CG2 THR A 9 -3.749 -4.645 0.003 1.00 0.79 C ATOM 0 H THR A 9 -2.953 -5.019 -2.407 1.00 0.44 H new ATOM 0 HA THR A 9 -5.890 -5.414 -2.612 1.00 0.54 H new ATOM 0 HB THR A 9 -4.588 -6.469 -0.776 1.00 0.72 H new ATOM 0 HG1 THR A 9 -6.039 -4.079 0.096 1.00 0.89 H new ATOM 0 HG21 THR A 9 -3.653 -5.048 1.011 1.00 0.79 H new ATOM 0 HG22 THR A 9 -2.800 -4.753 -0.522 1.00 0.79 H new ATOM 0 HG23 THR A 9 -4.016 -3.590 0.058 1.00 0.79 H new ATOM 144 N CYS A 10 -6.227 -3.072 -3.204 1.00 0.46 N ATOM 145 CA CYS A 10 -6.638 -1.691 -3.389 1.00 0.44 C ATOM 146 C CYS A 10 -8.014 -1.684 -4.057 1.00 0.56 C ATOM 147 O CYS A 10 -8.245 -2.415 -5.019 1.00 0.76 O ATOM 148 CB CYS A 10 -5.608 -0.897 -4.196 1.00 0.38 C ATOM 149 SG CYS A 10 -5.755 0.921 -4.051 1.00 0.44 S ATOM 0 H CYS A 10 -6.649 -3.733 -3.856 1.00 0.46 H new ATOM 0 HA CYS A 10 -6.703 -1.196 -2.420 1.00 0.44 H new ATOM 0 HB2 CYS A 10 -4.609 -1.193 -3.875 1.00 0.38 H new ATOM 0 HB3 CYS A 10 -5.700 -1.172 -5.247 1.00 0.38 H new ATOM 154 N ILE A 11 -8.893 -0.849 -3.521 1.00 0.56 N ATOM 155 CA ILE A 11 -10.240 -0.738 -4.053 1.00 0.69 C ATOM 156 C ILE A 11 -10.456 0.678 -4.590 1.00 0.73 C ATOM 157 O ILE A 11 -11.157 0.868 -5.583 1.00 0.97 O ATOM 158 CB ILE A 11 -11.268 -1.160 -3.000 1.00 0.73 C ATOM 159 CG1 ILE A 11 -11.220 -0.232 -1.785 1.00 0.72 C ATOM 160 CG2 ILE A 11 -11.082 -2.627 -2.610 1.00 0.88 C ATOM 161 CD1 ILE A 11 -12.116 0.991 -1.994 1.00 1.37 C ATOM 0 H ILE A 11 -8.698 -0.243 -2.724 1.00 0.56 H new ATOM 0 HA ILE A 11 -10.377 -1.422 -4.891 1.00 0.69 H new ATOM 0 HB ILE A 11 -12.263 -1.067 -3.436 1.00 0.73 H new ATOM 0 HG12 ILE A 11 -11.541 -0.774 -0.896 1.00 0.72 H new ATOM 0 HG13 ILE A 11 -10.194 0.090 -1.609 1.00 0.72 H new ATOM 0 HG21 ILE A 11 -11.825 -2.901 -1.861 1.00 0.88 H new ATOM 0 HG22 ILE A 11 -11.206 -3.256 -3.491 1.00 0.88 H new ATOM 0 HG23 ILE A 11 -10.082 -2.770 -2.200 1.00 0.88 H new ATOM 0 HD11 ILE A 11 -12.064 1.635 -1.116 1.00 1.37 H new ATOM 0 HD12 ILE A 11 -11.778 1.544 -2.870 1.00 1.37 H new ATOM 0 HD13 ILE A 11 -13.145 0.666 -2.145 1.00 1.37 H new ATOM 173 N GLY A 12 -9.842 1.635 -3.911 1.00 0.71 N ATOM 174 CA GLY A 12 -9.957 3.027 -4.308 1.00 0.87 C ATOM 175 C GLY A 12 -10.302 3.913 -3.108 1.00 0.90 C ATOM 176 O GLY A 12 -11.137 4.810 -3.213 1.00 1.19 O ATOM 0 H GLY A 12 -9.263 1.473 -3.087 1.00 0.71 H new ATOM 0 HA2 GLY A 12 -9.020 3.361 -4.753 1.00 0.87 H new ATOM 0 HA3 GLY A 12 -10.727 3.128 -5.073 1.00 0.87 H new ATOM 180 N CYS A 13 -9.640 3.630 -1.996 1.00 0.81 N ATOM 181 CA CYS A 13 -9.865 4.389 -0.777 1.00 0.89 C ATOM 182 C CYS A 13 -8.718 5.389 -0.615 1.00 1.07 C ATOM 183 O CYS A 13 -7.826 5.456 -1.459 1.00 1.38 O ATOM 184 CB CYS A 13 -10.002 3.475 0.442 1.00 0.81 C ATOM 185 SG CYS A 13 -8.500 3.350 1.479 1.00 0.69 S ATOM 0 H CYS A 13 -8.948 2.886 -1.913 1.00 0.81 H new ATOM 0 HA CYS A 13 -10.809 4.929 -0.851 1.00 0.89 H new ATOM 0 HB2 CYS A 13 -10.824 3.837 1.060 1.00 0.81 H new ATOM 0 HB3 CYS A 13 -10.275 2.476 0.101 1.00 0.81 H new ATOM 190 N THR A 14 -8.781 6.140 0.474 1.00 1.24 N ATOM 191 CA THR A 14 -7.758 7.133 0.758 1.00 1.44 C ATOM 192 C THR A 14 -7.075 6.829 2.092 1.00 1.23 C ATOM 193 O THR A 14 -7.297 7.526 3.081 1.00 1.94 O ATOM 194 CB THR A 14 -8.415 8.514 0.713 1.00 2.05 C ATOM 195 OG1 THR A 14 -9.327 8.501 1.807 1.00 3.07 O ATOM 196 CG2 THR A 14 -9.309 8.697 -0.516 1.00 2.36 C ATOM 0 H THR A 14 -9.524 6.081 1.170 1.00 1.24 H new ATOM 0 HA THR A 14 -6.965 7.109 0.010 1.00 1.44 H new ATOM 0 HB THR A 14 -7.643 9.283 0.718 1.00 2.05 H new ATOM 0 HG1 THR A 14 -8.851 8.251 2.627 1.00 3.07 H new ATOM 0 HG21 THR A 14 -9.751 9.693 -0.499 1.00 2.36 H new ATOM 0 HG22 THR A 14 -8.712 8.579 -1.421 1.00 2.36 H new ATOM 0 HG23 THR A 14 -10.101 7.949 -0.504 1.00 2.36 H new ATOM 204 N GLN A 15 -6.256 5.786 2.077 1.00 0.67 N ATOM 205 CA GLN A 15 -5.539 5.381 3.274 1.00 0.72 C ATOM 206 C GLN A 15 -4.352 4.489 2.905 1.00 0.84 C ATOM 207 O GLN A 15 -4.416 3.735 1.935 1.00 2.09 O ATOM 208 CB GLN A 15 -6.471 4.674 4.260 1.00 0.79 C ATOM 209 CG GLN A 15 -6.364 3.154 4.121 1.00 0.67 C ATOM 210 CD GLN A 15 -7.380 2.448 5.022 1.00 0.83 C ATOM 211 OE1 GLN A 15 -8.285 3.053 5.575 1.00 1.08 O ATOM 212 NE2 GLN A 15 -7.181 1.139 5.139 1.00 0.77 N ATOM 0 H GLN A 15 -6.074 5.210 1.255 1.00 0.67 H new ATOM 0 HA GLN A 15 -5.157 6.276 3.765 1.00 0.72 H new ATOM 0 HB2 GLN A 15 -6.219 4.968 5.279 1.00 0.79 H new ATOM 0 HB3 GLN A 15 -7.500 4.988 4.083 1.00 0.79 H new ATOM 0 HG2 GLN A 15 -6.532 2.867 3.083 1.00 0.67 H new ATOM 0 HG3 GLN A 15 -5.356 2.831 4.381 1.00 0.67 H new ATOM 0 HE21 GLN A 15 -6.404 0.695 4.649 1.00 0.77 H new ATOM 0 HE22 GLN A 15 -7.805 0.578 5.719 1.00 0.77 H new ATOM 221 N CYS A 16 -3.298 4.603 3.698 1.00 0.93 N ATOM 222 CA CYS A 16 -2.099 3.815 3.468 1.00 0.70 C ATOM 223 C CYS A 16 -1.177 4.606 2.536 1.00 0.71 C ATOM 224 O CYS A 16 0.028 4.683 2.768 1.00 0.94 O ATOM 225 CB CYS A 16 -2.430 2.432 2.904 1.00 0.50 C ATOM 226 SG CYS A 16 -2.246 2.278 1.090 1.00 0.58 S ATOM 0 H CYS A 16 -3.249 5.230 4.501 1.00 0.93 H new ATOM 0 HA CYS A 16 -1.591 3.636 4.415 1.00 0.70 H new ATOM 0 HB2 CYS A 16 -1.785 1.696 3.384 1.00 0.50 H new ATOM 0 HB3 CYS A 16 -3.456 2.181 3.173 1.00 0.50 H new ATOM 231 N VAL A 17 -1.780 5.171 1.500 1.00 0.71 N ATOM 232 CA VAL A 17 -1.028 5.953 0.532 1.00 0.75 C ATOM 233 C VAL A 17 -0.860 7.380 1.056 1.00 0.84 C ATOM 234 O VAL A 17 -0.177 8.195 0.438 1.00 1.14 O ATOM 235 CB VAL A 17 -1.715 5.894 -0.834 1.00 0.73 C ATOM 236 CG1 VAL A 17 -0.837 6.524 -1.917 1.00 0.90 C ATOM 237 CG2 VAL A 17 -2.090 4.456 -1.198 1.00 1.03 C ATOM 0 H VAL A 17 -2.780 5.103 1.310 1.00 0.71 H new ATOM 0 HA VAL A 17 -0.030 5.537 0.397 1.00 0.75 H new ATOM 0 HB VAL A 17 -2.636 6.474 -0.771 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -1.349 6.469 -2.878 1.00 0.90 H new ATOM 0 HG12 VAL A 17 -0.644 7.567 -1.668 1.00 0.90 H new ATOM 0 HG13 VAL A 17 0.108 5.985 -1.978 1.00 0.90 H new ATOM 0 HG21 VAL A 17 -2.577 4.443 -2.173 1.00 1.03 H new ATOM 0 HG22 VAL A 17 -1.189 3.843 -1.233 1.00 1.03 H new ATOM 0 HG23 VAL A 17 -2.772 4.056 -0.447 1.00 1.03 H new ATOM 247 N ARG A 18 -1.493 7.639 2.191 1.00 0.65 N ATOM 248 CA ARG A 18 -1.421 8.954 2.805 1.00 0.72 C ATOM 249 C ARG A 18 -0.915 8.840 4.244 1.00 0.64 C ATOM 250 O ARG A 18 -0.001 9.560 4.643 1.00 0.82 O ATOM 251 CB ARG A 18 -2.791 9.636 2.807 1.00 0.87 C ATOM 252 CG ARG A 18 -2.874 10.698 1.708 1.00 1.24 C ATOM 253 CD ARG A 18 -3.057 10.053 0.334 1.00 1.39 C ATOM 254 NE ARG A 18 -1.937 10.432 -0.557 1.00 1.90 N ATOM 255 CZ ARG A 18 -2.005 10.422 -1.895 1.00 2.50 C ATOM 256 NH1 ARG A 18 -3.138 10.053 -2.506 1.00 3.10 N ATOM 257 NH2 ARG A 18 -0.938 10.783 -2.622 1.00 2.99 N ATOM 0 H ARG A 18 -2.058 6.960 2.701 1.00 0.65 H new ATOM 0 HA ARG A 18 -0.728 9.557 2.218 1.00 0.72 H new ATOM 0 HB2 ARG A 18 -3.573 8.891 2.658 1.00 0.87 H new ATOM 0 HB3 ARG A 18 -2.971 10.097 3.778 1.00 0.87 H new ATOM 0 HG2 ARG A 18 -3.706 11.372 1.911 1.00 1.24 H new ATOM 0 HG3 ARG A 18 -1.967 11.302 1.712 1.00 1.24 H new ATOM 0 HD2 ARG A 18 -3.101 8.969 0.435 1.00 1.39 H new ATOM 0 HD3 ARG A 18 -4.004 10.371 -0.103 1.00 1.39 H new ATOM 0 HE ARG A 18 -1.059 10.719 -0.125 1.00 1.90 H new ATOM 0 HH11 ARG A 18 -3.950 9.779 -1.953 1.00 3.10 H new ATOM 0 HH12 ARG A 18 -3.189 10.046 -3.525 1.00 3.10 H new ATOM 0 HH21 ARG A 18 -0.075 11.065 -2.156 1.00 2.99 H new ATOM 0 HH22 ARG A 18 -0.989 10.776 -3.641 1.00 2.99 H new ATOM 271 N ALA A 19 -1.532 7.930 4.986 1.00 0.66 N ATOM 272 CA ALA A 19 -1.154 7.714 6.372 1.00 0.95 C ATOM 273 C ALA A 19 0.367 7.794 6.500 1.00 0.96 C ATOM 274 O ALA A 19 0.884 8.472 7.387 1.00 2.25 O ATOM 275 CB ALA A 19 -1.710 6.370 6.848 1.00 1.16 C ATOM 0 H ALA A 19 -2.290 7.335 4.653 1.00 0.66 H new ATOM 0 HA ALA A 19 -1.579 8.488 7.011 1.00 0.95 H new ATOM 0 HB1 ALA A 19 -1.427 6.207 7.888 1.00 1.16 H new ATOM 0 HB2 ALA A 19 -2.797 6.376 6.764 1.00 1.16 H new ATOM 0 HB3 ALA A 19 -1.303 5.569 6.231 1.00 1.16 H new ATOM 281 N CYS A 20 1.043 7.093 5.602 1.00 1.40 N ATOM 282 CA CYS A 20 2.497 7.076 5.603 1.00 1.20 C ATOM 283 C CYS A 20 2.993 8.498 5.871 1.00 1.57 C ATOM 284 O CYS A 20 2.609 9.435 5.173 1.00 1.89 O ATOM 285 CB CYS A 20 3.058 6.512 4.297 1.00 0.76 C ATOM 286 SG CYS A 20 4.885 6.477 4.199 1.00 0.79 S ATOM 0 H CYS A 20 0.611 6.532 4.868 1.00 1.40 H new ATOM 0 HA CYS A 20 2.855 6.413 6.390 1.00 1.20 H new ATOM 0 HB2 CYS A 20 2.681 5.498 4.164 1.00 0.76 H new ATOM 0 HB3 CYS A 20 2.675 7.106 3.467 1.00 0.76 H new ATOM 291 N PRO A 21 3.862 8.618 6.911 1.00 1.72 N ATOM 292 CA PRO A 21 4.415 9.910 7.279 1.00 2.13 C ATOM 293 C PRO A 21 5.490 10.350 6.284 1.00 1.92 C ATOM 294 O PRO A 21 5.374 11.407 5.666 1.00 2.35 O ATOM 295 CB PRO A 21 4.950 9.721 8.689 1.00 2.40 C ATOM 296 CG PRO A 21 5.098 8.220 8.881 1.00 2.15 C ATOM 297 CD PRO A 21 4.339 7.530 7.760 1.00 1.74 C ATOM 0 HA PRO A 21 3.673 10.708 7.253 1.00 2.13 H new ATOM 0 HB2 PRO A 21 5.907 10.227 8.815 1.00 2.40 H new ATOM 0 HB3 PRO A 21 4.267 10.144 9.426 1.00 2.40 H new ATOM 0 HG2 PRO A 21 6.150 7.935 8.862 1.00 2.15 H new ATOM 0 HG3 PRO A 21 4.703 7.918 9.851 1.00 2.15 H new ATOM 0 HD2 PRO A 21 4.984 6.849 7.205 1.00 1.74 H new ATOM 0 HD3 PRO A 21 3.510 6.938 8.149 1.00 1.74 H new ATOM 305 N LEU A 22 6.514 9.517 6.162 1.00 1.50 N ATOM 306 CA LEU A 22 7.609 9.806 5.253 1.00 1.54 C ATOM 307 C LEU A 22 7.043 10.198 3.886 1.00 1.89 C ATOM 308 O LEU A 22 6.674 11.353 3.671 1.00 3.14 O ATOM 309 CB LEU A 22 8.586 8.630 5.198 1.00 1.14 C ATOM 310 CG LEU A 22 9.643 8.584 6.305 1.00 0.97 C ATOM 311 CD1 LEU A 22 9.121 7.832 7.531 1.00 1.50 C ATOM 312 CD2 LEU A 22 10.954 7.994 5.786 1.00 1.19 C ATOM 0 H LEU A 22 6.608 8.642 6.678 1.00 1.50 H new ATOM 0 HA LEU A 22 8.188 10.655 5.615 1.00 1.54 H new ATOM 0 HB2 LEU A 22 8.012 7.704 5.232 1.00 1.14 H new ATOM 0 HB3 LEU A 22 9.097 8.652 4.236 1.00 1.14 H new ATOM 0 HG LEU A 22 9.853 9.606 6.620 1.00 0.97 H new ATOM 0 HD11 LEU A 22 9.891 7.814 8.302 1.00 1.50 H new ATOM 0 HD12 LEU A 22 8.234 8.335 7.916 1.00 1.50 H new ATOM 0 HD13 LEU A 22 8.865 6.810 7.250 1.00 1.50 H new ATOM 0 HD21 LEU A 22 11.688 7.973 6.592 1.00 1.19 H new ATOM 0 HD22 LEU A 22 10.780 6.980 5.427 1.00 1.19 H new ATOM 0 HD23 LEU A 22 11.331 8.608 4.968 1.00 1.19 H new ATOM 324 N ASP A 23 6.992 9.216 2.999 1.00 1.28 N ATOM 325 CA ASP A 23 6.477 9.444 1.659 1.00 1.58 C ATOM 326 C ASP A 23 6.675 8.180 0.819 1.00 1.50 C ATOM 327 O ASP A 23 7.317 8.222 -0.228 1.00 1.85 O ATOM 328 CB ASP A 23 7.220 10.591 0.971 1.00 2.04 C ATOM 329 CG ASP A 23 6.352 11.479 0.077 1.00 2.68 C ATOM 330 OD1 ASP A 23 5.957 10.986 -1.001 1.00 3.23 O ATOM 331 OD2 ASP A 23 6.104 12.632 0.492 1.00 3.62 O ATOM 0 H ASP A 23 7.299 8.260 3.181 1.00 1.28 H new ATOM 0 HA ASP A 23 5.420 9.698 1.743 1.00 1.58 H new ATOM 0 HB2 ASP A 23 7.684 11.214 1.736 1.00 2.04 H new ATOM 0 HB3 ASP A 23 8.026 10.172 0.369 1.00 2.04 H new ATOM 336 N VAL A 24 6.112 7.087 1.312 1.00 1.24 N ATOM 337 CA VAL A 24 6.218 5.814 0.620 1.00 1.35 C ATOM 338 C VAL A 24 4.842 5.412 0.085 1.00 1.55 C ATOM 339 O VAL A 24 3.909 6.214 0.097 1.00 3.30 O ATOM 340 CB VAL A 24 6.828 4.763 1.549 1.00 1.21 C ATOM 341 CG1 VAL A 24 5.750 4.097 2.406 1.00 2.21 C ATOM 342 CG2 VAL A 24 7.617 3.721 0.754 1.00 2.09 C ATOM 0 H VAL A 24 5.581 7.057 2.182 1.00 1.24 H new ATOM 0 HA VAL A 24 6.887 5.900 -0.236 1.00 1.35 H new ATOM 0 HB VAL A 24 7.522 5.270 2.219 1.00 1.21 H new ATOM 0 HG11 VAL A 24 6.210 3.354 3.057 1.00 2.21 H new ATOM 0 HG12 VAL A 24 5.250 4.852 3.013 1.00 2.21 H new ATOM 0 HG13 VAL A 24 5.020 3.610 1.759 1.00 2.21 H new ATOM 0 HG21 VAL A 24 8.040 2.985 1.438 1.00 2.09 H new ATOM 0 HG22 VAL A 24 6.952 3.221 0.049 1.00 2.09 H new ATOM 0 HG23 VAL A 24 8.421 4.213 0.207 1.00 2.09 H new ATOM 352 N LEU A 25 4.759 4.171 -0.373 1.00 0.92 N ATOM 353 CA LEU A 25 3.513 3.654 -0.912 1.00 0.78 C ATOM 354 C LEU A 25 3.111 4.478 -2.137 1.00 0.68 C ATOM 355 O LEU A 25 2.341 5.431 -2.024 1.00 0.77 O ATOM 356 CB LEU A 25 2.438 3.605 0.176 1.00 0.80 C ATOM 357 CG LEU A 25 2.661 2.586 1.294 1.00 0.86 C ATOM 358 CD1 LEU A 25 2.671 3.266 2.664 1.00 0.95 C ATOM 359 CD2 LEU A 25 1.629 1.458 1.222 1.00 1.16 C ATOM 0 H LEU A 25 5.535 3.509 -0.382 1.00 0.92 H new ATOM 0 HA LEU A 25 3.641 2.625 -1.248 1.00 0.78 H new ATOM 0 HB2 LEU A 25 2.358 4.595 0.625 1.00 0.80 H new ATOM 0 HB3 LEU A 25 1.480 3.391 -0.297 1.00 0.80 H new ATOM 0 HG LEU A 25 3.643 2.135 1.152 1.00 0.86 H new ATOM 0 HD11 LEU A 25 2.831 2.518 3.440 1.00 0.95 H new ATOM 0 HD12 LEU A 25 3.474 4.003 2.699 1.00 0.95 H new ATOM 0 HD13 LEU A 25 1.715 3.763 2.831 1.00 0.95 H new ATOM 0 HD21 LEU A 25 1.810 0.747 2.028 1.00 1.16 H new ATOM 0 HD22 LEU A 25 0.627 1.875 1.324 1.00 1.16 H new ATOM 0 HD23 LEU A 25 1.714 0.948 0.263 1.00 1.16 H new ATOM 371 N GLU A 26 3.650 4.081 -3.280 1.00 0.64 N ATOM 372 CA GLU A 26 3.357 4.770 -4.525 1.00 0.60 C ATOM 373 C GLU A 26 2.609 3.841 -5.483 1.00 0.54 C ATOM 374 O GLU A 26 2.113 2.791 -5.075 1.00 0.54 O ATOM 375 CB GLU A 26 4.638 5.306 -5.170 1.00 0.74 C ATOM 376 CG GLU A 26 5.446 6.138 -4.172 1.00 0.78 C ATOM 377 CD GLU A 26 5.420 7.621 -4.545 1.00 1.20 C ATOM 378 OE1 GLU A 26 5.850 7.929 -5.679 1.00 2.15 O ATOM 379 OE2 GLU A 26 4.970 8.414 -3.690 1.00 2.13 O ATOM 0 H GLU A 26 4.288 3.291 -3.370 1.00 0.64 H new ATOM 0 HA GLU A 26 2.716 5.623 -4.303 1.00 0.60 H new ATOM 0 HB2 GLU A 26 5.244 4.475 -5.531 1.00 0.74 H new ATOM 0 HB3 GLU A 26 4.385 5.916 -6.037 1.00 0.74 H new ATOM 0 HG2 GLU A 26 5.040 6.005 -3.169 1.00 0.78 H new ATOM 0 HG3 GLU A 26 6.476 5.784 -4.148 1.00 0.78 H new ATOM 386 N MET A 27 2.552 4.259 -6.739 1.00 0.60 N ATOM 387 CA MET A 27 1.872 3.478 -7.758 1.00 0.60 C ATOM 388 C MET A 27 2.779 2.368 -8.293 1.00 0.53 C ATOM 389 O MET A 27 3.942 2.611 -8.612 1.00 0.57 O ATOM 390 CB MET A 27 1.453 4.394 -8.910 1.00 0.76 C ATOM 391 CG MET A 27 2.634 5.235 -9.399 1.00 1.30 C ATOM 392 SD MET A 27 2.740 5.160 -11.179 1.00 2.01 S ATOM 393 CE MET A 27 3.224 6.842 -11.531 1.00 2.82 C ATOM 0 H MET A 27 2.966 5.129 -7.074 1.00 0.60 H new ATOM 0 HA MET A 27 0.991 3.018 -7.309 1.00 0.60 H new ATOM 0 HB2 MET A 27 1.063 3.795 -9.733 1.00 0.76 H new ATOM 0 HB3 MET A 27 0.646 5.049 -8.583 1.00 0.76 H new ATOM 0 HG2 MET A 27 2.513 6.269 -9.077 1.00 1.30 H new ATOM 0 HG3 MET A 27 3.560 4.869 -8.955 1.00 1.30 H new ATOM 0 HE1 MET A 27 3.336 6.971 -12.608 1.00 2.82 H new ATOM 0 HE2 MET A 27 2.460 7.526 -11.161 1.00 2.82 H new ATOM 0 HE3 MET A 27 4.173 7.058 -11.039 1.00 2.82 H new ATOM 403 N VAL A 28 2.213 1.173 -8.376 1.00 0.49 N ATOM 404 CA VAL A 28 2.956 0.025 -8.867 1.00 0.51 C ATOM 405 C VAL A 28 2.192 -0.611 -10.029 1.00 0.59 C ATOM 406 O VAL A 28 1.061 -0.226 -10.320 1.00 0.61 O ATOM 407 CB VAL A 28 3.225 -0.954 -7.721 1.00 0.45 C ATOM 408 CG1 VAL A 28 3.407 -0.209 -6.396 1.00 0.42 C ATOM 409 CG2 VAL A 28 2.108 -1.994 -7.616 1.00 0.47 C ATOM 0 H VAL A 28 1.248 0.975 -8.111 1.00 0.49 H new ATOM 0 HA VAL A 28 3.930 0.334 -9.248 1.00 0.51 H new ATOM 0 HB VAL A 28 4.154 -1.481 -7.940 1.00 0.45 H new ATOM 0 HG11 VAL A 28 3.597 -0.927 -5.598 1.00 0.42 H new ATOM 0 HG12 VAL A 28 4.251 0.476 -6.477 1.00 0.42 H new ATOM 0 HG13 VAL A 28 2.503 0.355 -6.169 1.00 0.42 H new ATOM 0 HG21 VAL A 28 2.323 -2.677 -6.794 1.00 0.47 H new ATOM 0 HG22 VAL A 28 1.159 -1.491 -7.431 1.00 0.47 H new ATOM 0 HG23 VAL A 28 2.045 -2.556 -8.548 1.00 0.47 H new ATOM 419 N PRO A 29 2.860 -1.601 -10.681 1.00 0.71 N ATOM 420 CA PRO A 29 2.257 -2.295 -11.807 1.00 0.83 C ATOM 421 C PRO A 29 1.186 -3.280 -11.334 1.00 0.72 C ATOM 422 O PRO A 29 1.492 -4.248 -10.639 1.00 0.71 O ATOM 423 CB PRO A 29 3.416 -2.974 -12.518 1.00 1.02 C ATOM 424 CG PRO A 29 4.553 -3.021 -11.510 1.00 0.99 C ATOM 425 CD PRO A 29 4.201 -2.084 -10.365 1.00 0.79 C ATOM 0 HA PRO A 29 1.732 -1.621 -12.484 1.00 0.83 H new ATOM 0 HB2 PRO A 29 3.141 -3.977 -12.843 1.00 1.02 H new ATOM 0 HB3 PRO A 29 3.707 -2.418 -13.409 1.00 1.02 H new ATOM 0 HG2 PRO A 29 4.695 -4.037 -11.142 1.00 0.99 H new ATOM 0 HG3 PRO A 29 5.490 -2.718 -11.977 1.00 0.99 H new ATOM 0 HD2 PRO A 29 4.219 -2.604 -9.407 1.00 0.79 H new ATOM 0 HD3 PRO A 29 4.912 -1.261 -10.294 1.00 0.79 H new ATOM 433 N TRP A 30 -0.048 -3.000 -11.729 1.00 0.70 N ATOM 434 CA TRP A 30 -1.164 -3.849 -11.354 1.00 0.61 C ATOM 435 C TRP A 30 -2.087 -3.980 -12.567 1.00 0.65 C ATOM 436 O TRP A 30 -1.880 -3.318 -13.582 1.00 0.97 O ATOM 437 CB TRP A 30 -1.878 -3.302 -10.116 1.00 0.56 C ATOM 438 CG TRP A 30 -3.081 -4.136 -9.672 1.00 0.48 C ATOM 439 CD1 TRP A 30 -4.361 -3.752 -9.572 1.00 0.48 C ATOM 440 CD2 TRP A 30 -3.064 -5.522 -9.267 1.00 0.46 C ATOM 441 NE1 TRP A 30 -5.167 -4.783 -9.135 1.00 0.45 N ATOM 442 CE2 TRP A 30 -4.353 -5.894 -8.945 1.00 0.44 C ATOM 443 CE3 TRP A 30 -1.995 -6.431 -9.179 1.00 0.52 C ATOM 444 CZ2 TRP A 30 -4.694 -7.181 -8.510 1.00 0.48 C ATOM 445 CZ3 TRP A 30 -2.352 -7.713 -8.744 1.00 0.55 C ATOM 446 CH2 TRP A 30 -3.645 -8.103 -8.415 1.00 0.53 C ATOM 0 H TRP A 30 -0.298 -2.196 -12.305 1.00 0.70 H new ATOM 0 HA TRP A 30 -0.815 -4.843 -11.073 1.00 0.61 H new ATOM 0 HB2 TRP A 30 -1.165 -3.245 -9.294 1.00 0.56 H new ATOM 0 HB3 TRP A 30 -2.210 -2.284 -10.321 1.00 0.56 H new ATOM 0 HD1 TRP A 30 -4.717 -2.759 -9.804 1.00 0.48 H new ATOM 0 HE1 TRP A 30 -6.174 -4.738 -8.980 1.00 0.45 H new ATOM 0 HE3 TRP A 30 -0.979 -6.162 -9.427 1.00 0.52 H new ATOM 0 HZ2 TRP A 30 -5.711 -7.447 -8.261 1.00 0.48 H new ATOM 0 HZ3 TRP A 30 -1.568 -8.451 -8.658 1.00 0.55 H new ATOM 0 HH2 TRP A 30 -3.840 -9.114 -8.087 1.00 0.53 H new ATOM 457 N ASP A 31 -3.086 -4.838 -12.422 1.00 0.94 N ATOM 458 CA ASP A 31 -4.041 -5.064 -13.493 1.00 0.95 C ATOM 459 C ASP A 31 -5.443 -5.209 -12.898 1.00 1.08 C ATOM 460 O ASP A 31 -6.075 -6.255 -13.035 1.00 1.99 O ATOM 461 CB ASP A 31 -3.717 -6.349 -14.257 1.00 0.95 C ATOM 462 CG ASP A 31 -4.106 -6.337 -15.737 1.00 0.95 C ATOM 463 OD1 ASP A 31 -3.294 -5.815 -16.533 1.00 1.82 O ATOM 464 OD2 ASP A 31 -5.205 -6.849 -16.040 1.00 1.92 O ATOM 0 H ASP A 31 -3.255 -5.385 -11.578 1.00 0.94 H new ATOM 0 HA ASP A 31 -3.990 -4.216 -14.175 1.00 0.95 H new ATOM 0 HB2 ASP A 31 -2.647 -6.540 -14.180 1.00 0.95 H new ATOM 0 HB3 ASP A 31 -4.225 -7.181 -13.770 1.00 0.95 H new ATOM 469 N GLY A 32 -5.889 -4.142 -12.251 1.00 0.64 N ATOM 470 CA GLY A 32 -7.205 -4.137 -11.634 1.00 0.63 C ATOM 471 C GLY A 32 -7.732 -2.708 -11.478 1.00 0.65 C ATOM 472 O GLY A 32 -8.936 -2.474 -11.565 1.00 0.73 O ATOM 0 H GLY A 32 -5.363 -3.275 -12.141 1.00 0.64 H new ATOM 0 HA2 GLY A 32 -7.898 -4.720 -12.241 1.00 0.63 H new ATOM 0 HA3 GLY A 32 -7.155 -4.619 -10.657 1.00 0.63 H new ATOM 476 N CYS A 33 -6.803 -1.792 -11.249 1.00 0.64 N ATOM 477 CA CYS A 33 -7.157 -0.393 -11.079 1.00 0.68 C ATOM 478 C CYS A 33 -7.581 0.164 -12.440 1.00 0.72 C ATOM 479 O CYS A 33 -7.345 -0.462 -13.472 1.00 0.73 O ATOM 480 CB CYS A 33 -6.010 0.411 -10.466 1.00 0.70 C ATOM 481 SG CYS A 33 -6.568 1.219 -8.922 1.00 0.92 S ATOM 0 H CYS A 33 -5.805 -1.991 -11.177 1.00 0.64 H new ATOM 0 HA CYS A 33 -7.987 -0.308 -10.378 1.00 0.68 H new ATOM 0 HB2 CYS A 33 -5.165 -0.246 -10.258 1.00 0.70 H new ATOM 0 HB3 CYS A 33 -5.662 1.163 -11.175 1.00 0.70 H new ATOM 0 HG CYS A 33 -5.586 1.898 -8.408 1.00 0.92 H new ATOM 487 N LYS A 34 -8.200 1.334 -12.399 1.00 0.77 N ATOM 488 CA LYS A 34 -8.659 1.982 -13.616 1.00 0.84 C ATOM 489 C LYS A 34 -7.456 2.280 -14.514 1.00 0.87 C ATOM 490 O LYS A 34 -7.602 2.409 -15.729 1.00 0.92 O ATOM 491 CB LYS A 34 -9.496 3.218 -13.281 1.00 0.92 C ATOM 492 CG LYS A 34 -10.798 3.233 -14.086 1.00 1.14 C ATOM 493 CD LYS A 34 -10.531 3.576 -15.554 1.00 2.46 C ATOM 494 CE LYS A 34 -11.497 4.655 -16.049 1.00 2.73 C ATOM 495 NZ LYS A 34 -11.381 4.820 -17.514 1.00 3.95 N ATOM 0 H LYS A 34 -8.395 1.851 -11.541 1.00 0.77 H new ATOM 0 HA LYS A 34 -9.319 1.319 -14.175 1.00 0.84 H new ATOM 0 HB2 LYS A 34 -9.723 3.230 -12.215 1.00 0.92 H new ATOM 0 HB3 LYS A 34 -8.922 4.119 -13.495 1.00 0.92 H new ATOM 0 HG2 LYS A 34 -11.283 2.259 -14.019 1.00 1.14 H new ATOM 0 HG3 LYS A 34 -11.486 3.962 -13.658 1.00 1.14 H new ATOM 0 HD2 LYS A 34 -9.504 3.922 -15.669 1.00 2.46 H new ATOM 0 HD3 LYS A 34 -10.636 2.680 -16.166 1.00 2.46 H new ATOM 0 HE2 LYS A 34 -12.520 4.384 -15.787 1.00 2.73 H new ATOM 0 HE3 LYS A 34 -11.281 5.601 -15.552 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 -12.043 5.556 -17.834 1.00 3.95 H new ATOM 0 HZ2 LYS A 34 -10.409 5.100 -17.756 1.00 3.95 H new ATOM 0 HZ3 LYS A 34 -11.609 3.921 -17.984 1.00 3.95 H new ATOM 509 N ALA A 35 -6.296 2.379 -13.882 1.00 0.84 N ATOM 510 CA ALA A 35 -5.070 2.658 -14.610 1.00 0.89 C ATOM 511 C ALA A 35 -4.116 1.470 -14.467 1.00 0.83 C ATOM 512 O ALA A 35 -2.904 1.621 -14.616 1.00 0.86 O ATOM 513 CB ALA A 35 -4.457 3.963 -14.097 1.00 0.93 C ATOM 0 H ALA A 35 -6.179 2.271 -12.874 1.00 0.84 H new ATOM 0 HA ALA A 35 -5.276 2.790 -15.672 1.00 0.89 H new ATOM 0 HB1 ALA A 35 -3.537 4.172 -14.643 1.00 0.93 H new ATOM 0 HB2 ALA A 35 -5.162 4.780 -14.248 1.00 0.93 H new ATOM 0 HB3 ALA A 35 -4.234 3.867 -13.034 1.00 0.93 H new ATOM 519 N GLY A 36 -4.698 0.314 -14.182 1.00 0.77 N ATOM 520 CA GLY A 36 -3.915 -0.898 -14.018 1.00 0.72 C ATOM 521 C GLY A 36 -2.673 -0.637 -13.163 1.00 0.66 C ATOM 522 O GLY A 36 -1.558 -0.969 -13.564 1.00 0.66 O ATOM 0 H GLY A 36 -5.703 0.192 -14.061 1.00 0.77 H new ATOM 0 HA2 GLY A 36 -4.527 -1.670 -13.551 1.00 0.72 H new ATOM 0 HA3 GLY A 36 -3.615 -1.277 -14.995 1.00 0.72 H new ATOM 526 N GLN A 37 -2.906 -0.044 -12.001 1.00 0.64 N ATOM 527 CA GLN A 37 -1.820 0.265 -11.088 1.00 0.59 C ATOM 528 C GLN A 37 -2.334 0.308 -9.647 1.00 0.50 C ATOM 529 O GLN A 37 -3.240 1.077 -9.330 1.00 0.55 O ATOM 530 CB GLN A 37 -1.143 1.582 -11.467 1.00 0.69 C ATOM 531 CG GLN A 37 -2.152 2.732 -11.487 1.00 0.71 C ATOM 532 CD GLN A 37 -1.951 3.659 -10.286 1.00 0.72 C ATOM 533 OE1 GLN A 37 -0.979 4.391 -10.189 1.00 0.81 O ATOM 534 NE2 GLN A 37 -2.921 3.588 -9.379 1.00 0.67 N ATOM 0 H GLN A 37 -3.831 0.230 -11.671 1.00 0.64 H new ATOM 0 HA GLN A 37 -1.072 -0.525 -11.164 1.00 0.59 H new ATOM 0 HB2 GLN A 37 -0.348 1.804 -10.756 1.00 0.69 H new ATOM 0 HB3 GLN A 37 -0.676 1.486 -12.447 1.00 0.69 H new ATOM 0 HG2 GLN A 37 -2.044 3.300 -12.411 1.00 0.71 H new ATOM 0 HG3 GLN A 37 -3.166 2.331 -11.476 1.00 0.71 H new ATOM 0 HE21 GLN A 37 -3.707 2.954 -9.522 1.00 0.67 H new ATOM 0 HE22 GLN A 37 -2.879 4.168 -8.541 1.00 0.67 H new ATOM 543 N ILE A 38 -1.733 -0.529 -8.813 1.00 0.41 N ATOM 544 CA ILE A 38 -2.119 -0.596 -7.414 1.00 0.37 C ATOM 545 C ILE A 38 -1.143 0.237 -6.580 1.00 0.37 C ATOM 546 O ILE A 38 0.052 0.272 -6.868 1.00 0.40 O ATOM 547 CB ILE A 38 -2.231 -2.052 -6.958 1.00 0.36 C ATOM 548 CG1 ILE A 38 -3.344 -2.218 -5.921 1.00 0.45 C ATOM 549 CG2 ILE A 38 -0.886 -2.571 -6.444 1.00 0.42 C ATOM 550 CD1 ILE A 38 -4.466 -3.110 -6.458 1.00 0.48 C ATOM 0 H ILE A 38 -0.982 -1.166 -9.080 1.00 0.41 H new ATOM 0 HA ILE A 38 -3.110 -0.165 -7.271 1.00 0.37 H new ATOM 0 HB ILE A 38 -2.502 -2.660 -7.821 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -2.934 -2.652 -5.009 1.00 0.45 H new ATOM 0 HG13 ILE A 38 -3.747 -1.241 -5.655 1.00 0.45 H new ATOM 0 HG21 ILE A 38 -0.994 -3.608 -6.126 1.00 0.42 H new ATOM 0 HG22 ILE A 38 -0.144 -2.511 -7.240 1.00 0.42 H new ATOM 0 HG23 ILE A 38 -0.561 -1.964 -5.599 1.00 0.42 H new ATOM 0 HD11 ILE A 38 -5.244 -3.211 -5.701 1.00 0.48 H new ATOM 0 HD12 ILE A 38 -4.890 -2.661 -7.356 1.00 0.48 H new ATOM 0 HD13 ILE A 38 -4.064 -4.094 -6.700 1.00 0.48 H new ATOM 562 N ALA A 39 -1.689 0.885 -5.562 1.00 0.40 N ATOM 563 CA ALA A 39 -0.881 1.715 -4.683 1.00 0.43 C ATOM 564 C ALA A 39 -0.164 0.825 -3.666 1.00 0.41 C ATOM 565 O ALA A 39 -0.793 0.285 -2.756 1.00 0.45 O ATOM 566 CB ALA A 39 -1.769 2.766 -4.014 1.00 0.53 C ATOM 0 H ALA A 39 -2.681 0.853 -5.326 1.00 0.40 H new ATOM 0 HA ALA A 39 -0.118 2.247 -5.252 1.00 0.43 H new ATOM 0 HB1 ALA A 39 -1.163 3.388 -3.355 1.00 0.53 H new ATOM 0 HB2 ALA A 39 -2.232 3.390 -4.778 1.00 0.53 H new ATOM 0 HB3 ALA A 39 -2.545 2.269 -3.432 1.00 0.53 H new ATOM 572 N SER A 40 1.141 0.700 -3.853 1.00 0.41 N ATOM 573 CA SER A 40 1.951 -0.115 -2.963 1.00 0.45 C ATOM 574 C SER A 40 3.395 0.389 -2.960 1.00 0.46 C ATOM 575 O SER A 40 3.734 1.315 -3.696 1.00 0.66 O ATOM 576 CB SER A 40 1.904 -1.588 -3.370 1.00 0.50 C ATOM 577 OG SER A 40 0.666 -2.202 -3.018 1.00 0.92 O ATOM 0 H SER A 40 1.659 1.150 -4.608 1.00 0.41 H new ATOM 0 HA SER A 40 1.542 -0.031 -1.956 1.00 0.45 H new ATOM 0 HB2 SER A 40 2.057 -1.671 -4.446 1.00 0.50 H new ATOM 0 HB3 SER A 40 2.723 -2.123 -2.889 1.00 0.50 H new ATOM 0 HG SER A 40 0.029 -1.514 -2.733 1.00 0.92 H new ATOM 583 N SER A 41 4.206 -0.242 -2.124 1.00 0.49 N ATOM 584 CA SER A 41 5.607 0.132 -2.015 1.00 0.56 C ATOM 585 C SER A 41 6.419 -0.561 -3.112 1.00 0.77 C ATOM 586 O SER A 41 6.400 -1.786 -3.224 1.00 1.31 O ATOM 587 CB SER A 41 6.167 -0.224 -0.637 1.00 0.88 C ATOM 588 OG SER A 41 5.845 0.764 0.340 1.00 1.74 O ATOM 0 H SER A 41 3.921 -1.009 -1.516 1.00 0.49 H new ATOM 0 HA SER A 41 5.684 1.212 -2.140 1.00 0.56 H new ATOM 0 HB2 SER A 41 5.770 -1.189 -0.322 1.00 0.88 H new ATOM 0 HB3 SER A 41 7.250 -0.331 -0.702 1.00 0.88 H new ATOM 0 HG SER A 41 6.218 0.501 1.207 1.00 1.74 H new ATOM 594 N PRO A 42 7.131 0.275 -3.914 1.00 0.86 N ATOM 595 CA PRO A 42 7.949 -0.243 -4.997 1.00 1.13 C ATOM 596 C PRO A 42 9.233 -0.878 -4.460 1.00 0.85 C ATOM 597 O PRO A 42 9.519 -2.042 -4.740 1.00 1.37 O ATOM 598 CB PRO A 42 8.210 0.951 -5.900 1.00 1.65 C ATOM 599 CG PRO A 42 7.925 2.182 -5.054 1.00 1.82 C ATOM 600 CD PRO A 42 7.178 1.732 -3.811 1.00 1.32 C ATOM 0 HA PRO A 42 7.456 -1.043 -5.550 1.00 1.13 H new ATOM 0 HB2 PRO A 42 9.240 0.953 -6.258 1.00 1.65 H new ATOM 0 HB3 PRO A 42 7.567 0.924 -6.780 1.00 1.65 H new ATOM 0 HG2 PRO A 42 8.855 2.681 -4.781 1.00 1.82 H new ATOM 0 HG3 PRO A 42 7.331 2.902 -5.616 1.00 1.82 H new ATOM 0 HD2 PRO A 42 7.692 2.049 -2.904 1.00 1.32 H new ATOM 0 HD3 PRO A 42 6.176 2.159 -3.775 1.00 1.32 H new ATOM 608 N ARG A 43 9.972 -0.086 -3.697 1.00 0.82 N ATOM 609 CA ARG A 43 11.219 -0.557 -3.117 1.00 1.32 C ATOM 610 C ARG A 43 11.354 -0.064 -1.675 1.00 1.29 C ATOM 611 O ARG A 43 12.414 -0.197 -1.067 1.00 2.58 O ATOM 612 CB ARG A 43 12.421 -0.071 -3.930 1.00 1.94 C ATOM 613 CG ARG A 43 12.246 -0.394 -5.416 1.00 1.97 C ATOM 614 CD ARG A 43 13.435 -1.199 -5.945 1.00 2.36 C ATOM 615 NE ARG A 43 13.145 -2.647 -5.856 1.00 3.07 N ATOM 616 CZ ARG A 43 13.739 -3.581 -6.611 1.00 3.85 C ATOM 617 NH1 ARG A 43 14.660 -3.223 -7.517 1.00 4.19 N ATOM 618 NH2 ARG A 43 13.414 -4.872 -6.461 1.00 4.63 N ATOM 0 H ARG A 43 9.732 0.878 -3.467 1.00 0.82 H new ATOM 0 HA ARG A 43 11.201 -1.647 -3.131 1.00 1.32 H new ATOM 0 HB2 ARG A 43 12.541 1.004 -3.800 1.00 1.94 H new ATOM 0 HB3 ARG A 43 13.331 -0.541 -3.557 1.00 1.94 H new ATOM 0 HG2 ARG A 43 11.325 -0.959 -5.563 1.00 1.97 H new ATOM 0 HG3 ARG A 43 12.147 0.531 -5.984 1.00 1.97 H new ATOM 0 HD2 ARG A 43 13.640 -0.924 -6.980 1.00 2.36 H new ATOM 0 HD3 ARG A 43 14.330 -0.963 -5.369 1.00 2.36 H new ATOM 0 HE ARG A 43 12.449 -2.954 -5.177 1.00 3.07 H new ATOM 0 HH11 ARG A 43 14.908 -2.240 -7.631 1.00 4.19 H new ATOM 0 HH12 ARG A 43 15.113 -3.933 -8.092 1.00 4.19 H new ATOM 0 HH21 ARG A 43 12.714 -5.145 -5.771 1.00 4.63 H new ATOM 0 HH22 ARG A 43 13.867 -5.582 -7.036 1.00 4.63 H new ATOM 632 N THR A 44 10.264 0.496 -1.172 1.00 0.84 N ATOM 633 CA THR A 44 10.247 1.010 0.187 1.00 1.00 C ATOM 634 C THR A 44 11.510 1.829 0.464 1.00 1.42 C ATOM 635 O THR A 44 11.895 2.012 1.617 1.00 1.70 O ATOM 636 CB THR A 44 10.072 -0.174 1.139 1.00 1.07 C ATOM 637 OG1 THR A 44 8.881 -0.812 0.683 1.00 0.92 O ATOM 638 CG2 THR A 44 9.736 0.264 2.566 1.00 1.31 C ATOM 0 H THR A 44 9.387 0.605 -1.681 1.00 0.84 H new ATOM 0 HA THR A 44 9.413 1.695 0.339 1.00 1.00 H new ATOM 0 HB THR A 44 10.985 -0.769 1.148 1.00 1.07 H new ATOM 0 HG1 THR A 44 8.693 -1.593 1.244 1.00 0.92 H new ATOM 0 HG21 THR A 44 9.623 -0.616 3.199 1.00 1.31 H new ATOM 0 HG22 THR A 44 10.540 0.889 2.954 1.00 1.31 H new ATOM 0 HG23 THR A 44 8.805 0.831 2.563 1.00 1.31 H new ATOM 646 N GLU A 45 12.119 2.301 -0.615 1.00 1.55 N ATOM 647 CA GLU A 45 13.329 3.096 -0.503 1.00 2.03 C ATOM 648 C GLU A 45 13.066 4.349 0.334 1.00 2.46 C ATOM 649 O GLU A 45 13.967 4.857 0.999 1.00 2.87 O ATOM 650 CB GLU A 45 13.874 3.464 -1.885 1.00 2.07 C ATOM 651 CG GLU A 45 12.842 4.261 -2.686 1.00 2.33 C ATOM 652 CD GLU A 45 13.509 5.023 -3.833 1.00 2.69 C ATOM 653 OE1 GLU A 45 14.000 4.341 -4.758 1.00 3.04 O ATOM 654 OE2 GLU A 45 13.511 6.271 -3.758 1.00 3.53 O ATOM 0 H GLU A 45 11.796 2.148 -1.570 1.00 1.55 H new ATOM 0 HA GLU A 45 14.087 2.498 0.003 1.00 2.03 H new ATOM 0 HB2 GLU A 45 14.787 4.050 -1.776 1.00 2.07 H new ATOM 0 HB3 GLU A 45 14.140 2.557 -2.428 1.00 2.07 H new ATOM 0 HG2 GLU A 45 12.085 3.586 -3.085 1.00 2.33 H new ATOM 0 HG3 GLU A 45 12.329 4.962 -2.028 1.00 2.33 H new ATOM 661 N ASP A 46 11.826 4.813 0.274 1.00 2.43 N ATOM 662 CA ASP A 46 11.433 5.997 1.017 1.00 2.91 C ATOM 663 C ASP A 46 10.667 5.575 2.272 1.00 2.59 C ATOM 664 O ASP A 46 9.552 6.040 2.510 1.00 3.53 O ATOM 665 CB ASP A 46 10.516 6.893 0.182 1.00 3.31 C ATOM 666 CG ASP A 46 11.234 7.952 -0.657 1.00 4.19 C ATOM 667 OD1 ASP A 46 11.684 7.588 -1.765 1.00 4.81 O ATOM 668 OD2 ASP A 46 11.318 9.100 -0.172 1.00 4.78 O ATOM 0 H ASP A 46 11.080 4.389 -0.278 1.00 2.43 H new ATOM 0 HA ASP A 46 12.337 6.548 1.275 1.00 2.91 H new ATOM 0 HB2 ASP A 46 9.926 6.263 -0.483 1.00 3.31 H new ATOM 0 HB3 ASP A 46 9.816 7.394 0.851 1.00 3.31 H new ATOM 673 N CYS A 47 11.293 4.698 3.043 1.00 1.90 N ATOM 674 CA CYS A 47 10.684 4.207 4.268 1.00 1.52 C ATOM 675 C CYS A 47 11.771 3.534 5.108 1.00 1.81 C ATOM 676 O CYS A 47 12.550 2.733 4.595 1.00 2.15 O ATOM 677 CB CYS A 47 9.517 3.261 3.979 1.00 1.19 C ATOM 678 SG CYS A 47 9.106 2.112 5.342 1.00 1.10 S ATOM 0 H CYS A 47 12.217 4.314 2.843 1.00 1.90 H new ATOM 0 HA CYS A 47 10.259 5.041 4.827 1.00 1.52 H new ATOM 0 HB2 CYS A 47 8.634 3.856 3.746 1.00 1.19 H new ATOM 0 HB3 CYS A 47 9.752 2.677 3.089 1.00 1.19 H new ATOM 683 N VAL A 48 11.788 3.885 6.386 1.00 1.86 N ATOM 684 CA VAL A 48 12.765 3.323 7.303 1.00 2.31 C ATOM 685 C VAL A 48 12.038 2.599 8.437 1.00 2.09 C ATOM 686 O VAL A 48 12.369 2.783 9.608 1.00 2.31 O ATOM 687 CB VAL A 48 13.706 4.423 7.800 1.00 2.71 C ATOM 688 CG1 VAL A 48 14.538 4.995 6.652 1.00 3.72 C ATOM 689 CG2 VAL A 48 12.927 5.528 8.517 1.00 3.91 C ATOM 0 H VAL A 48 11.141 4.551 6.808 1.00 1.86 H new ATOM 0 HA VAL A 48 13.387 2.586 6.795 1.00 2.31 H new ATOM 0 HB VAL A 48 14.392 3.976 8.519 1.00 2.71 H new ATOM 0 HG11 VAL A 48 15.197 5.774 7.034 1.00 3.72 H new ATOM 0 HG12 VAL A 48 15.136 4.201 6.205 1.00 3.72 H new ATOM 0 HG13 VAL A 48 13.875 5.418 5.898 1.00 3.72 H new ATOM 0 HG21 VAL A 48 13.619 6.297 8.860 1.00 3.91 H new ATOM 0 HG22 VAL A 48 12.206 5.970 7.829 1.00 3.91 H new ATOM 0 HG23 VAL A 48 12.401 5.105 9.373 1.00 3.91 H new ATOM 699 N GLY A 49 11.061 1.793 8.051 1.00 2.04 N ATOM 700 CA GLY A 49 10.284 1.041 9.020 1.00 2.25 C ATOM 701 C GLY A 49 9.918 1.911 10.225 1.00 2.00 C ATOM 702 O GLY A 49 10.644 1.939 11.219 1.00 2.36 O ATOM 0 H GLY A 49 10.789 1.644 7.079 1.00 2.04 H new ATOM 0 HA2 GLY A 49 9.376 0.665 8.550 1.00 2.25 H new ATOM 0 HA3 GLY A 49 10.853 0.173 9.353 1.00 2.25 H new ATOM 706 N CYS A 50 8.795 2.601 10.097 1.00 1.62 N ATOM 707 CA CYS A 50 8.325 3.470 11.162 1.00 1.70 C ATOM 708 C CYS A 50 6.898 3.055 11.528 1.00 1.95 C ATOM 709 O CYS A 50 6.129 2.637 10.664 1.00 2.63 O ATOM 710 CB CYS A 50 8.405 4.946 10.765 1.00 1.48 C ATOM 711 SG CYS A 50 6.837 5.660 10.149 1.00 1.40 S ATOM 0 H CYS A 50 8.196 2.576 9.272 1.00 1.62 H new ATOM 0 HA CYS A 50 8.969 3.360 12.034 1.00 1.70 H new ATOM 0 HB2 CYS A 50 8.736 5.523 11.629 1.00 1.48 H new ATOM 0 HB3 CYS A 50 9.167 5.060 9.994 1.00 1.48 H new ATOM 716 N LYS A 51 6.589 3.183 12.810 1.00 2.25 N ATOM 717 CA LYS A 51 5.268 2.825 13.300 1.00 2.54 C ATOM 718 C LYS A 51 4.224 3.737 12.652 1.00 1.97 C ATOM 719 O LYS A 51 3.985 4.847 13.125 1.00 2.21 O ATOM 720 CB LYS A 51 5.240 2.848 14.830 1.00 3.28 C ATOM 721 CG LYS A 51 3.979 2.169 15.365 1.00 3.79 C ATOM 722 CD LYS A 51 3.558 2.774 16.706 1.00 4.37 C ATOM 723 CE LYS A 51 3.935 1.850 17.866 1.00 5.40 C ATOM 724 NZ LYS A 51 2.780 1.657 18.772 1.00 6.36 N ATOM 0 H LYS A 51 7.230 3.529 13.524 1.00 2.25 H new ATOM 0 HA LYS A 51 5.020 1.803 13.015 1.00 2.54 H new ATOM 0 HB2 LYS A 51 6.123 2.343 15.221 1.00 3.28 H new ATOM 0 HB3 LYS A 51 5.280 3.879 15.183 1.00 3.28 H new ATOM 0 HG2 LYS A 51 3.169 2.277 14.643 1.00 3.79 H new ATOM 0 HG3 LYS A 51 4.160 1.101 15.484 1.00 3.79 H new ATOM 0 HD2 LYS A 51 4.037 3.744 16.838 1.00 4.37 H new ATOM 0 HD3 LYS A 51 2.482 2.947 16.709 1.00 4.37 H new ATOM 0 HE2 LYS A 51 4.266 0.886 17.478 1.00 5.40 H new ATOM 0 HE3 LYS A 51 4.772 2.275 18.420 1.00 5.40 H new ATOM 0 HZ1 LYS A 51 3.053 1.028 19.553 1.00 6.36 H new ATOM 0 HZ2 LYS A 51 2.483 2.577 19.156 1.00 6.36 H new ATOM 0 HZ3 LYS A 51 1.992 1.231 18.244 1.00 6.36 H new ATOM 738 N ARG A 52 3.631 3.235 11.579 1.00 1.91 N ATOM 739 CA ARG A 52 2.618 3.989 10.861 1.00 1.80 C ATOM 740 C ARG A 52 2.005 3.134 9.751 1.00 2.00 C ATOM 741 O ARG A 52 2.150 1.912 9.752 1.00 3.75 O ATOM 742 CB ARG A 52 3.210 5.260 10.249 1.00 2.17 C ATOM 743 CG ARG A 52 2.508 6.508 10.790 1.00 2.49 C ATOM 744 CD ARG A 52 3.373 7.212 11.837 1.00 3.16 C ATOM 745 NE ARG A 52 2.655 7.270 13.130 1.00 3.61 N ATOM 746 CZ ARG A 52 1.780 8.229 13.461 1.00 3.88 C ATOM 747 NH1 ARG A 52 1.508 9.215 12.596 1.00 4.18 N ATOM 748 NH2 ARG A 52 1.176 8.201 14.657 1.00 4.56 N ATOM 0 H ARG A 52 3.833 2.314 11.189 1.00 1.91 H new ATOM 0 HA ARG A 52 1.844 4.269 11.576 1.00 1.80 H new ATOM 0 HB2 ARG A 52 4.276 5.313 10.472 1.00 2.17 H new ATOM 0 HB3 ARG A 52 3.112 5.225 9.164 1.00 2.17 H new ATOM 0 HG2 ARG A 52 2.293 7.193 9.970 1.00 2.49 H new ATOM 0 HG3 ARG A 52 1.551 6.229 11.231 1.00 2.49 H new ATOM 0 HD2 ARG A 52 4.316 6.680 11.959 1.00 3.16 H new ATOM 0 HD3 ARG A 52 3.617 8.220 11.501 1.00 3.16 H new ATOM 0 HE ARG A 52 2.838 6.534 13.812 1.00 3.61 H new ATOM 0 HH11 ARG A 52 1.967 9.236 11.685 1.00 4.18 H new ATOM 0 HH12 ARG A 52 0.842 9.945 12.848 1.00 4.18 H new ATOM 0 HH21 ARG A 52 1.383 7.450 15.315 1.00 4.56 H new ATOM 0 HH22 ARG A 52 0.510 8.931 14.909 1.00 4.56 H new ATOM 762 N CYS A 53 1.334 3.808 8.830 1.00 0.87 N ATOM 763 CA CYS A 53 0.698 3.126 7.716 1.00 0.72 C ATOM 764 C CYS A 53 0.003 1.873 8.253 1.00 1.07 C ATOM 765 O CYS A 53 0.104 0.800 7.661 1.00 2.32 O ATOM 766 CB CYS A 53 1.702 2.791 6.611 1.00 0.69 C ATOM 767 SG CYS A 53 3.010 1.607 7.096 1.00 0.85 S ATOM 0 H CYS A 53 1.217 4.821 8.832 1.00 0.87 H new ATOM 0 HA CYS A 53 -0.042 3.783 7.259 1.00 0.72 H new ATOM 0 HB2 CYS A 53 1.160 2.382 5.758 1.00 0.69 H new ATOM 0 HB3 CYS A 53 2.174 3.715 6.276 1.00 0.69 H new ATOM 772 N GLU A 54 -0.687 2.052 9.371 1.00 0.93 N ATOM 773 CA GLU A 54 -1.398 0.949 9.995 1.00 1.03 C ATOM 774 C GLU A 54 -2.773 0.771 9.348 1.00 1.06 C ATOM 775 O GLU A 54 -3.777 0.627 10.043 1.00 1.49 O ATOM 776 CB GLU A 54 -1.527 1.165 11.505 1.00 1.28 C ATOM 777 CG GLU A 54 -2.443 2.350 11.813 1.00 2.41 C ATOM 778 CD GLU A 54 -1.649 3.521 12.394 1.00 3.33 C ATOM 779 OE1 GLU A 54 -0.852 3.262 13.322 1.00 3.53 O ATOM 780 OE2 GLU A 54 -1.857 4.650 11.899 1.00 4.62 O ATOM 0 H GLU A 54 -0.768 2.943 9.860 1.00 0.93 H new ATOM 0 HA GLU A 54 -0.823 0.036 9.839 1.00 1.03 H new ATOM 0 HB2 GLU A 54 -1.923 0.263 11.972 1.00 1.28 H new ATOM 0 HB3 GLU A 54 -0.542 1.341 11.936 1.00 1.28 H new ATOM 0 HG2 GLU A 54 -2.952 2.667 10.903 1.00 2.41 H new ATOM 0 HG3 GLU A 54 -3.215 2.044 12.519 1.00 2.41 H new ATOM 787 N THR A 55 -2.774 0.787 8.023 1.00 0.82 N ATOM 788 CA THR A 55 -4.009 0.628 7.273 1.00 0.93 C ATOM 789 C THR A 55 -3.863 -0.484 6.233 1.00 1.17 C ATOM 790 O THR A 55 -4.350 -1.595 6.433 1.00 2.48 O ATOM 791 CB THR A 55 -4.371 1.984 6.667 1.00 1.19 C ATOM 792 OG1 THR A 55 -3.362 2.208 5.687 1.00 2.88 O ATOM 793 CG2 THR A 55 -4.190 3.136 7.658 1.00 1.33 C ATOM 0 H THR A 55 -1.939 0.908 7.449 1.00 0.82 H new ATOM 0 HA THR A 55 -4.828 0.316 7.921 1.00 0.93 H new ATOM 0 HB THR A 55 -5.404 1.962 6.321 1.00 1.19 H new ATOM 0 HG1 THR A 55 -2.530 2.476 6.130 1.00 2.88 H new ATOM 0 HG21 THR A 55 -4.461 4.076 7.177 1.00 1.33 H new ATOM 0 HG22 THR A 55 -4.831 2.974 8.525 1.00 1.33 H new ATOM 0 HG23 THR A 55 -3.149 3.179 7.979 1.00 1.33 H new ATOM 801 N ALA A 56 -3.189 -0.145 5.143 1.00 1.07 N ATOM 802 CA ALA A 56 -2.972 -1.101 4.070 1.00 1.04 C ATOM 803 C ALA A 56 -4.270 -1.277 3.280 1.00 1.27 C ATOM 804 O ALA A 56 -4.299 -1.059 2.070 1.00 2.46 O ATOM 805 CB ALA A 56 -2.462 -2.419 4.656 1.00 1.05 C ATOM 0 H ALA A 56 -2.786 0.778 4.980 1.00 1.07 H new ATOM 0 HA ALA A 56 -2.212 -0.737 3.379 1.00 1.04 H new ATOM 0 HB1 ALA A 56 -2.299 -3.136 3.851 1.00 1.05 H new ATOM 0 HB2 ALA A 56 -1.523 -2.244 5.182 1.00 1.05 H new ATOM 0 HB3 ALA A 56 -3.200 -2.817 5.353 1.00 1.05 H new ATOM 811 N CYS A 57 -5.312 -1.672 3.997 1.00 0.74 N ATOM 812 CA CYS A 57 -6.610 -1.880 3.377 1.00 0.83 C ATOM 813 C CYS A 57 -7.590 -2.339 4.458 1.00 1.27 C ATOM 814 O CYS A 57 -7.178 -2.842 5.502 1.00 1.55 O ATOM 815 CB CYS A 57 -6.531 -2.877 2.219 1.00 0.53 C ATOM 816 SG CYS A 57 -7.144 -2.241 0.616 1.00 0.75 S ATOM 0 H CYS A 57 -5.284 -1.853 5.000 1.00 0.74 H new ATOM 0 HA CYS A 57 -6.962 -0.945 2.941 1.00 0.83 H new ATOM 0 HB2 CYS A 57 -5.494 -3.190 2.097 1.00 0.53 H new ATOM 0 HB3 CYS A 57 -7.103 -3.766 2.484 1.00 0.53 H new ATOM 821 N PRO A 58 -8.904 -2.144 4.165 1.00 1.69 N ATOM 822 CA PRO A 58 -9.945 -2.532 5.099 1.00 2.20 C ATOM 823 C PRO A 58 -10.138 -4.049 5.108 1.00 2.07 C ATOM 824 O PRO A 58 -9.989 -4.692 6.146 1.00 2.37 O ATOM 825 CB PRO A 58 -11.185 -1.779 4.643 1.00 2.83 C ATOM 826 CG PRO A 58 -10.914 -1.364 3.205 1.00 2.74 C ATOM 827 CD PRO A 58 -9.429 -1.551 2.939 1.00 2.00 C ATOM 0 HA PRO A 58 -9.698 -2.280 6.130 1.00 2.20 H new ATOM 0 HB2 PRO A 58 -12.071 -2.410 4.707 1.00 2.83 H new ATOM 0 HB3 PRO A 58 -11.367 -0.909 5.273 1.00 2.83 H new ATOM 0 HG2 PRO A 58 -11.504 -1.967 2.516 1.00 2.74 H new ATOM 0 HG3 PRO A 58 -11.203 -0.325 3.047 1.00 2.74 H new ATOM 0 HD2 PRO A 58 -9.259 -2.201 2.081 1.00 2.00 H new ATOM 0 HD3 PRO A 58 -8.943 -0.600 2.720 1.00 2.00 H new ATOM 835 N THR A 59 -10.465 -4.579 3.939 1.00 3.04 N ATOM 836 CA THR A 59 -10.679 -6.009 3.797 1.00 3.17 C ATOM 837 C THR A 59 -10.174 -6.493 2.437 1.00 2.62 C ATOM 838 O THR A 59 -9.294 -5.873 1.841 1.00 3.59 O ATOM 839 CB THR A 59 -12.164 -6.290 4.028 1.00 4.43 C ATOM 840 OG1 THR A 59 -12.819 -5.578 2.983 1.00 6.34 O ATOM 841 CG2 THR A 59 -12.692 -5.639 5.309 1.00 5.76 C ATOM 0 H THR A 59 -10.587 -4.043 3.080 1.00 3.04 H new ATOM 0 HA THR A 59 -10.108 -6.569 4.538 1.00 3.17 H new ATOM 0 HB THR A 59 -12.326 -7.367 4.075 1.00 4.43 H new ATOM 0 HG1 THR A 59 -13.788 -5.707 3.056 1.00 6.34 H new ATOM 0 HG21 THR A 59 -13.751 -5.870 5.425 1.00 5.76 H new ATOM 0 HG22 THR A 59 -12.141 -6.024 6.167 1.00 5.76 H new ATOM 0 HG23 THR A 59 -12.561 -4.559 5.249 1.00 5.76 H new ATOM 849 N ASP A 60 -10.751 -7.597 1.985 1.00 2.08 N ATOM 850 CA ASP A 60 -10.370 -8.171 0.706 1.00 1.94 C ATOM 851 C ASP A 60 -9.139 -9.060 0.896 1.00 1.17 C ATOM 852 O ASP A 60 -9.113 -10.197 0.427 1.00 1.44 O ATOM 853 CB ASP A 60 -10.011 -7.078 -0.303 1.00 2.42 C ATOM 854 CG ASP A 60 -10.259 -7.443 -1.768 1.00 4.03 C ATOM 855 OD1 ASP A 60 -10.936 -8.471 -1.990 1.00 4.66 O ATOM 856 OD2 ASP A 60 -9.767 -6.686 -2.633 1.00 5.12 O ATOM 0 H ASP A 60 -11.480 -8.109 2.482 1.00 2.08 H new ATOM 0 HA ASP A 60 -11.216 -8.746 0.330 1.00 1.94 H new ATOM 0 HB2 ASP A 60 -10.585 -6.182 -0.065 1.00 2.42 H new ATOM 0 HB3 ASP A 60 -8.958 -6.824 -0.181 1.00 2.42 H new ATOM 861 N PHE A 61 -8.152 -8.509 1.586 1.00 0.83 N ATOM 862 CA PHE A 61 -6.923 -9.239 1.846 1.00 1.45 C ATOM 863 C PHE A 61 -6.684 -9.396 3.349 1.00 2.12 C ATOM 864 O PHE A 61 -7.253 -10.283 3.982 1.00 3.02 O ATOM 865 CB PHE A 61 -5.781 -8.418 1.243 1.00 1.91 C ATOM 866 CG PHE A 61 -5.594 -8.621 -0.262 1.00 2.30 C ATOM 867 CD1 PHE A 61 -6.650 -8.458 -1.105 1.00 2.09 C ATOM 868 CD2 PHE A 61 -4.375 -8.965 -0.756 1.00 3.88 C ATOM 869 CE1 PHE A 61 -6.477 -8.647 -2.502 1.00 2.48 C ATOM 870 CE2 PHE A 61 -4.203 -9.153 -2.153 1.00 4.51 C ATOM 871 CZ PHE A 61 -5.257 -8.990 -2.996 1.00 3.49 C ATOM 0 H PHE A 61 -8.178 -7.566 1.973 1.00 0.83 H new ATOM 0 HA PHE A 61 -6.983 -10.236 1.410 1.00 1.45 H new ATOM 0 HB2 PHE A 61 -5.966 -7.361 1.436 1.00 1.91 H new ATOM 0 HB3 PHE A 61 -4.853 -8.678 1.752 1.00 1.91 H new ATOM 0 HD1 PHE A 61 -7.618 -8.185 -0.712 1.00 2.09 H new ATOM 0 HD2 PHE A 61 -3.538 -9.095 -0.086 1.00 3.88 H new ATOM 0 HE1 PHE A 61 -7.314 -8.518 -3.172 1.00 2.48 H new ATOM 0 HE2 PHE A 61 -3.235 -9.426 -2.546 1.00 4.51 H new ATOM 0 HZ PHE A 61 -5.126 -9.133 -4.058 1.00 3.49 H new ATOM 881 N LEU A 62 -5.842 -8.519 3.877 1.00 2.00 N ATOM 882 CA LEU A 62 -5.522 -8.549 5.294 1.00 2.84 C ATOM 883 C LEU A 62 -5.580 -9.994 5.794 1.00 2.60 C ATOM 884 O LEU A 62 -6.449 -10.344 6.592 1.00 3.09 O ATOM 885 CB LEU A 62 -6.429 -7.592 6.069 1.00 3.69 C ATOM 886 CG LEU A 62 -6.028 -6.116 6.039 1.00 3.31 C ATOM 887 CD1 LEU A 62 -6.880 -5.298 7.012 1.00 4.63 C ATOM 888 CD2 LEU A 62 -4.532 -5.949 6.307 1.00 3.00 C ATOM 0 H LEU A 62 -5.372 -7.784 3.349 1.00 2.00 H new ATOM 0 HA LEU A 62 -4.506 -8.193 5.463 1.00 2.84 H new ATOM 0 HB2 LEU A 62 -7.441 -7.681 5.673 1.00 3.69 H new ATOM 0 HB3 LEU A 62 -6.464 -7.918 7.109 1.00 3.69 H new ATOM 0 HG LEU A 62 -6.220 -5.729 5.038 1.00 3.31 H new ATOM 0 HD11 LEU A 62 -6.575 -4.252 6.972 1.00 4.63 H new ATOM 0 HD12 LEU A 62 -7.931 -5.381 6.734 1.00 4.63 H new ATOM 0 HD13 LEU A 62 -6.742 -5.678 8.024 1.00 4.63 H new ATOM 0 HD21 LEU A 62 -4.273 -4.890 6.280 1.00 3.00 H new ATOM 0 HD22 LEU A 62 -4.290 -6.357 7.289 1.00 3.00 H new ATOM 0 HD23 LEU A 62 -3.964 -6.481 5.544 1.00 3.00 H new ATOM 900 N SER A 63 -4.644 -10.795 5.306 1.00 2.22 N ATOM 901 CA SER A 63 -4.578 -12.193 5.694 1.00 2.26 C ATOM 902 C SER A 63 -3.451 -12.894 4.935 1.00 1.74 C ATOM 903 O SER A 63 -3.695 -13.840 4.186 1.00 2.90 O ATOM 904 CB SER A 63 -5.911 -12.899 5.437 1.00 3.47 C ATOM 905 OG SER A 63 -6.213 -13.854 6.452 1.00 4.46 O ATOM 0 H SER A 63 -3.925 -10.502 4.645 1.00 2.22 H new ATOM 0 HA SER A 63 -4.372 -12.242 6.763 1.00 2.26 H new ATOM 0 HB2 SER A 63 -6.710 -12.159 5.386 1.00 3.47 H new ATOM 0 HB3 SER A 63 -5.877 -13.398 4.468 1.00 3.47 H new ATOM 0 HG SER A 63 -7.072 -14.282 6.253 1.00 4.46 H new ATOM 911 N ILE A 64 -2.239 -12.404 5.152 1.00 1.58 N ATOM 912 CA ILE A 64 -1.073 -12.972 4.497 1.00 2.42 C ATOM 913 C ILE A 64 0.076 -13.068 5.503 1.00 1.78 C ATOM 914 O ILE A 64 0.180 -14.046 6.240 1.00 2.03 O ATOM 915 CB ILE A 64 -0.724 -12.175 3.238 1.00 3.93 C ATOM 916 CG1 ILE A 64 -1.883 -12.195 2.239 1.00 4.95 C ATOM 917 CG2 ILE A 64 0.579 -12.678 2.614 1.00 5.09 C ATOM 918 CD1 ILE A 64 -1.963 -13.541 1.517 1.00 5.84 C ATOM 0 H ILE A 64 -2.039 -11.620 5.773 1.00 1.58 H new ATOM 0 HA ILE A 64 -1.284 -13.986 4.156 1.00 2.42 H new ATOM 0 HB ILE A 64 -0.563 -11.136 3.525 1.00 3.93 H new ATOM 0 HG12 ILE A 64 -2.820 -12.002 2.761 1.00 4.95 H new ATOM 0 HG13 ILE A 64 -1.753 -11.395 1.510 1.00 4.95 H new ATOM 0 HG21 ILE A 64 0.804 -12.095 1.721 1.00 5.09 H new ATOM 0 HG22 ILE A 64 1.392 -12.570 3.332 1.00 5.09 H new ATOM 0 HG23 ILE A 64 0.471 -13.728 2.344 1.00 5.09 H new ATOM 0 HD11 ILE A 64 -2.795 -13.527 0.813 1.00 5.84 H new ATOM 0 HD12 ILE A 64 -1.034 -13.720 0.976 1.00 5.84 H new ATOM 0 HD13 ILE A 64 -2.117 -14.336 2.246 1.00 5.84 H new ATOM 930 N ARG A 65 0.910 -12.037 5.500 1.00 1.40 N ATOM 931 CA ARG A 65 2.047 -11.993 6.402 1.00 1.14 C ATOM 932 C ARG A 65 1.760 -11.047 7.570 1.00 1.35 C ATOM 933 O ARG A 65 0.780 -10.305 7.547 1.00 2.63 O ATOM 934 CB ARG A 65 3.309 -11.525 5.674 1.00 1.35 C ATOM 935 CG ARG A 65 4.202 -12.713 5.308 1.00 1.98 C ATOM 936 CD ARG A 65 3.464 -13.691 4.391 1.00 2.31 C ATOM 937 NE ARG A 65 4.212 -14.964 4.303 1.00 2.80 N ATOM 938 CZ ARG A 65 3.677 -16.123 3.895 1.00 3.68 C ATOM 939 NH1 ARG A 65 2.388 -16.175 3.535 1.00 4.84 N ATOM 940 NH2 ARG A 65 4.432 -17.229 3.848 1.00 4.15 N ATOM 0 H ARG A 65 0.820 -11.227 4.887 1.00 1.40 H new ATOM 0 HA ARG A 65 2.212 -13.002 6.779 1.00 1.14 H new ATOM 0 HB2 ARG A 65 3.032 -10.982 4.771 1.00 1.35 H new ATOM 0 HB3 ARG A 65 3.862 -10.831 6.307 1.00 1.35 H new ATOM 0 HG2 ARG A 65 5.105 -12.355 4.813 1.00 1.98 H new ATOM 0 HG3 ARG A 65 4.519 -13.228 6.215 1.00 1.98 H new ATOM 0 HD2 ARG A 65 2.460 -13.875 4.774 1.00 2.31 H new ATOM 0 HD3 ARG A 65 3.351 -13.257 3.398 1.00 2.31 H new ATOM 0 HE ARG A 65 5.197 -14.959 4.570 1.00 2.80 H new ATOM 0 HH11 ARG A 65 1.814 -15.333 3.571 1.00 4.84 H new ATOM 0 HH12 ARG A 65 1.980 -17.057 3.224 1.00 4.84 H new ATOM 0 HH21 ARG A 65 5.413 -17.189 4.123 1.00 4.15 H new ATOM 0 HH22 ARG A 65 4.025 -18.111 3.538 1.00 4.15 H new ATOM 954 N VAL A 66 2.634 -11.104 8.565 1.00 1.51 N ATOM 955 CA VAL A 66 2.487 -10.263 9.740 1.00 1.65 C ATOM 956 C VAL A 66 3.622 -9.236 9.772 1.00 1.58 C ATOM 957 O VAL A 66 4.711 -9.526 10.261 1.00 2.28 O ATOM 958 CB VAL A 66 2.427 -11.128 10.999 1.00 2.35 C ATOM 959 CG1 VAL A 66 1.209 -12.053 10.974 1.00 3.42 C ATOM 960 CG2 VAL A 66 3.720 -11.929 11.176 1.00 3.70 C ATOM 0 H VAL A 66 3.447 -11.720 8.581 1.00 1.51 H new ATOM 0 HA VAL A 66 1.549 -9.709 9.699 1.00 1.65 H new ATOM 0 HB VAL A 66 2.324 -10.463 11.856 1.00 2.35 H new ATOM 0 HG11 VAL A 66 1.192 -12.656 11.882 1.00 3.42 H new ATOM 0 HG12 VAL A 66 0.299 -11.455 10.918 1.00 3.42 H new ATOM 0 HG13 VAL A 66 1.267 -12.707 10.104 1.00 3.42 H new ATOM 0 HG21 VAL A 66 3.651 -12.536 12.079 1.00 3.70 H new ATOM 0 HG22 VAL A 66 3.867 -12.578 10.313 1.00 3.70 H new ATOM 0 HG23 VAL A 66 4.563 -11.244 11.263 1.00 3.70 H new ATOM 970 N TYR A 67 3.325 -8.058 9.244 1.00 1.30 N ATOM 971 CA TYR A 67 4.307 -6.987 9.205 1.00 1.61 C ATOM 972 C TYR A 67 4.235 -6.133 10.472 1.00 1.59 C ATOM 973 O TYR A 67 5.105 -6.223 11.337 1.00 2.06 O ATOM 974 CB TYR A 67 3.940 -6.122 7.998 1.00 2.09 C ATOM 975 CG TYR A 67 5.030 -6.055 6.926 1.00 2.48 C ATOM 976 CD1 TYR A 67 5.485 -7.214 6.332 1.00 2.82 C ATOM 977 CD2 TYR A 67 5.558 -4.835 6.554 1.00 3.70 C ATOM 978 CE1 TYR A 67 6.510 -7.152 5.322 1.00 3.27 C ATOM 979 CE2 TYR A 67 6.583 -4.773 5.545 1.00 4.43 C ATOM 980 CZ TYR A 67 7.009 -5.934 4.979 1.00 3.80 C ATOM 981 OH TYR A 67 7.977 -5.874 4.025 1.00 4.57 O ATOM 0 H TYR A 67 2.419 -7.821 8.840 1.00 1.30 H new ATOM 0 HA TYR A 67 5.316 -7.393 9.136 1.00 1.61 H new ATOM 0 HB2 TYR A 67 3.027 -6.512 7.549 1.00 2.09 H new ATOM 0 HB3 TYR A 67 3.720 -5.111 8.342 1.00 2.09 H new ATOM 0 HD1 TYR A 67 5.072 -8.168 6.624 1.00 2.82 H new ATOM 0 HD2 TYR A 67 5.202 -3.928 7.020 1.00 3.70 H new ATOM 0 HE1 TYR A 67 6.874 -8.052 4.848 1.00 3.27 H new ATOM 0 HE2 TYR A 67 7.004 -3.825 5.244 1.00 4.43 H new ATOM 0 HH TYR A 67 8.238 -4.940 3.882 1.00 4.57 H new ATOM 991 N LEU A 68 3.190 -5.321 10.541 1.00 1.48 N ATOM 992 CA LEU A 68 2.993 -4.450 11.687 1.00 1.68 C ATOM 993 C LEU A 68 3.055 -5.282 12.971 1.00 2.31 C ATOM 994 O LEU A 68 2.280 -6.222 13.144 1.00 3.16 O ATOM 995 CB LEU A 68 1.699 -3.649 11.536 1.00 1.74 C ATOM 996 CG LEU A 68 1.864 -2.172 11.167 1.00 1.86 C ATOM 997 CD1 LEU A 68 2.842 -1.476 12.115 1.00 2.78 C ATOM 998 CD2 LEU A 68 2.275 -2.017 9.701 1.00 1.74 C ATOM 0 H LEU A 68 2.471 -5.248 9.821 1.00 1.48 H new ATOM 0 HA LEU A 68 3.792 -3.711 11.745 1.00 1.68 H new ATOM 0 HB2 LEU A 68 1.086 -4.128 10.773 1.00 1.74 H new ATOM 0 HB3 LEU A 68 1.146 -3.709 12.473 1.00 1.74 H new ATOM 0 HG LEU A 68 0.899 -1.680 11.284 1.00 1.86 H new ATOM 0 HD11 LEU A 68 2.941 -0.428 11.831 1.00 2.78 H new ATOM 0 HD12 LEU A 68 2.467 -1.541 13.136 1.00 2.78 H new ATOM 0 HD13 LEU A 68 3.816 -1.962 12.054 1.00 2.78 H new ATOM 0 HD21 LEU A 68 2.386 -0.959 9.464 1.00 1.74 H new ATOM 0 HD22 LEU A 68 3.223 -2.528 9.533 1.00 1.74 H new ATOM 0 HD23 LEU A 68 1.509 -2.454 9.060 1.00 1.74 H new ATOM 1010 N GLY A 69 3.984 -4.905 13.838 1.00 2.63 N ATOM 1011 CA GLY A 69 4.157 -5.605 15.099 1.00 3.38 C ATOM 1012 C GLY A 69 4.844 -6.956 14.888 1.00 3.19 C ATOM 1013 O GLY A 69 4.329 -7.990 15.309 1.00 3.83 O ATOM 0 H GLY A 69 4.624 -4.124 13.692 1.00 2.63 H new ATOM 0 HA2 GLY A 69 4.750 -4.994 15.780 1.00 3.38 H new ATOM 0 HA3 GLY A 69 3.186 -5.757 15.571 1.00 3.38 H new ATOM 1017 N ALA A 70 5.996 -6.901 14.236 1.00 2.61 N ATOM 1018 CA ALA A 70 6.760 -8.108 13.964 1.00 2.74 C ATOM 1019 C ALA A 70 8.231 -7.740 13.763 1.00 2.76 C ATOM 1020 O ALA A 70 9.117 -8.392 14.312 1.00 3.10 O ATOM 1021 CB ALA A 70 6.166 -8.825 12.751 1.00 2.90 C ATOM 0 H ALA A 70 6.419 -6.041 13.888 1.00 2.61 H new ATOM 0 HA ALA A 70 6.705 -8.796 14.808 1.00 2.74 H new ATOM 0 HB1 ALA A 70 6.738 -9.730 12.547 1.00 2.90 H new ATOM 0 HB2 ALA A 70 5.129 -9.090 12.957 1.00 2.90 H new ATOM 0 HB3 ALA A 70 6.206 -8.167 11.883 1.00 2.90 H new ATOM 1027 N GLU A 71 8.444 -6.698 12.973 1.00 2.75 N ATOM 1028 CA GLU A 71 9.794 -6.237 12.693 1.00 3.29 C ATOM 1029 C GLU A 71 10.642 -6.272 13.964 1.00 3.34 C ATOM 1030 O GLU A 71 11.603 -7.035 14.052 1.00 3.74 O ATOM 1031 CB GLU A 71 9.777 -4.834 12.083 1.00 3.90 C ATOM 1032 CG GLU A 71 9.353 -4.878 10.613 1.00 4.68 C ATOM 1033 CD GLU A 71 10.564 -5.080 9.701 1.00 5.30 C ATOM 1034 OE1 GLU A 71 11.510 -4.272 9.824 1.00 5.94 O ATOM 1035 OE2 GLU A 71 10.516 -6.038 8.899 1.00 5.87 O ATOM 0 H GLU A 71 7.706 -6.160 12.518 1.00 2.75 H new ATOM 0 HA GLU A 71 10.243 -6.910 11.963 1.00 3.29 H new ATOM 0 HB2 GLU A 71 9.091 -4.199 12.644 1.00 3.90 H new ATOM 0 HB3 GLU A 71 10.767 -4.386 12.166 1.00 3.90 H new ATOM 0 HG2 GLU A 71 8.639 -5.687 10.460 1.00 4.68 H new ATOM 0 HG3 GLU A 71 8.845 -3.951 10.349 1.00 4.68 H new ATOM 1042 N THR A 72 10.257 -5.438 14.919 1.00 3.74 N ATOM 1043 CA THR A 72 10.971 -5.363 16.182 1.00 4.31 C ATOM 1044 C THR A 72 10.025 -5.659 17.348 1.00 4.93 C ATOM 1045 O THR A 72 10.136 -5.051 18.410 1.00 5.62 O ATOM 1046 CB THR A 72 11.635 -3.988 16.271 1.00 5.06 C ATOM 1047 OG1 THR A 72 10.591 -3.077 15.937 1.00 5.52 O ATOM 1048 CG2 THR A 72 12.681 -3.771 15.176 1.00 5.96 C ATOM 0 H THR A 72 9.459 -4.808 14.843 1.00 3.74 H new ATOM 0 HA THR A 72 11.753 -6.120 16.239 1.00 4.31 H new ATOM 0 HB THR A 72 12.103 -3.874 17.249 1.00 5.06 H new ATOM 0 HG1 THR A 72 10.934 -2.160 15.972 1.00 5.52 H new ATOM 0 HG21 THR A 72 13.122 -2.780 15.285 1.00 5.96 H new ATOM 0 HG22 THR A 72 13.462 -4.527 15.264 1.00 5.96 H new ATOM 0 HG23 THR A 72 12.206 -3.851 14.198 1.00 5.96 H new ATOM 1056 N THR A 73 9.115 -6.591 17.107 1.00 5.35 N ATOM 1057 CA THR A 73 8.150 -6.975 18.123 1.00 6.85 C ATOM 1058 C THR A 73 8.529 -8.323 18.738 1.00 7.68 C ATOM 1059 O THR A 73 8.643 -8.444 19.957 1.00 8.84 O ATOM 1060 CB THR A 73 6.760 -6.968 17.483 1.00 7.38 C ATOM 1061 OG1 THR A 73 6.265 -5.656 17.739 1.00 8.64 O ATOM 1062 CG2 THR A 73 5.776 -7.886 18.209 1.00 8.39 C ATOM 0 H THR A 73 9.026 -7.092 16.223 1.00 5.35 H new ATOM 0 HA THR A 73 8.146 -6.266 18.951 1.00 6.85 H new ATOM 0 HB THR A 73 6.840 -7.275 16.440 1.00 7.38 H new ATOM 0 HG1 THR A 73 5.288 -5.683 17.812 1.00 8.64 H new ATOM 0 HG21 THR A 73 4.806 -7.843 17.714 1.00 8.39 H new ATOM 0 HG22 THR A 73 6.150 -8.910 18.187 1.00 8.39 H new ATOM 0 HG23 THR A 73 5.670 -7.560 19.244 1.00 8.39 H new ATOM 1070 N ARG A 74 8.713 -9.304 17.866 1.00 7.41 N ATOM 1071 CA ARG A 74 9.076 -10.639 18.307 1.00 8.64 C ATOM 1072 C ARG A 74 10.483 -10.995 17.820 1.00 8.42 C ATOM 1073 O ARG A 74 11.142 -11.862 18.393 1.00 9.59 O ATOM 1074 CB ARG A 74 8.086 -11.681 17.786 1.00 9.42 C ATOM 1075 CG ARG A 74 6.688 -11.447 18.364 1.00 9.98 C ATOM 1076 CD ARG A 74 5.619 -11.548 17.275 1.00 9.59 C ATOM 1077 NE ARG A 74 4.747 -12.717 17.528 1.00 10.91 N ATOM 1078 CZ ARG A 74 5.042 -13.969 17.155 1.00 11.34 C ATOM 1079 NH1 ARG A 74 6.189 -14.224 16.510 1.00 10.81 N ATOM 1080 NH2 ARG A 74 4.190 -14.967 17.428 1.00 12.66 N ATOM 0 H ARG A 74 8.617 -9.200 16.856 1.00 7.41 H new ATOM 0 HA ARG A 74 9.052 -10.645 19.397 1.00 8.64 H new ATOM 0 HB2 ARG A 74 8.045 -11.637 16.698 1.00 9.42 H new ATOM 0 HB3 ARG A 74 8.431 -12.680 18.052 1.00 9.42 H new ATOM 0 HG2 ARG A 74 6.486 -12.180 19.145 1.00 9.98 H new ATOM 0 HG3 ARG A 74 6.644 -10.463 18.831 1.00 9.98 H new ATOM 0 HD2 ARG A 74 5.022 -10.636 17.254 1.00 9.59 H new ATOM 0 HD3 ARG A 74 6.092 -11.641 16.297 1.00 9.59 H new ATOM 0 HE ARG A 74 3.866 -12.559 18.017 1.00 10.91 H new ATOM 0 HH11 ARG A 74 6.838 -13.464 16.303 1.00 10.81 H new ATOM 0 HH12 ARG A 74 6.413 -15.178 16.226 1.00 10.81 H new ATOM 0 HH21 ARG A 74 3.318 -14.773 17.920 1.00 12.66 H new ATOM 0 HH22 ARG A 74 4.414 -15.921 17.144 1.00 12.66 H new ATOM 1094 N SER A 75 10.902 -10.307 16.768 1.00 7.22 N ATOM 1095 CA SER A 75 12.218 -10.538 16.198 1.00 7.54 C ATOM 1096 C SER A 75 13.195 -9.468 16.686 1.00 7.19 C ATOM 1097 O SER A 75 14.279 -9.310 16.125 1.00 7.72 O ATOM 1098 CB SER A 75 12.161 -10.549 14.669 1.00 7.44 C ATOM 1099 OG SER A 75 13.167 -11.384 14.103 1.00 8.56 O ATOM 0 H SER A 75 10.353 -9.589 16.295 1.00 7.22 H new ATOM 0 HA SER A 75 12.567 -11.516 16.528 1.00 7.54 H new ATOM 0 HB2 SER A 75 11.179 -10.894 14.345 1.00 7.44 H new ATOM 0 HB3 SER A 75 12.281 -9.532 14.294 1.00 7.44 H new ATOM 0 HG SER A 75 13.096 -11.365 13.126 1.00 8.56 H new ATOM 1105 N MET A 76 12.778 -8.759 17.724 1.00 6.81 N ATOM 1106 CA MET A 76 13.604 -7.708 18.293 1.00 6.97 C ATOM 1107 C MET A 76 15.083 -8.097 18.268 1.00 7.96 C ATOM 1108 O MET A 76 15.931 -7.307 17.855 1.00 8.33 O ATOM 1109 CB MET A 76 13.171 -7.443 19.737 1.00 7.62 C ATOM 1110 CG MET A 76 12.645 -6.016 19.899 1.00 7.67 C ATOM 1111 SD MET A 76 13.990 -4.911 20.292 1.00 8.31 S ATOM 1112 CE MET A 76 13.097 -3.631 21.158 1.00 9.33 C ATOM 0 H MET A 76 11.878 -8.892 18.186 1.00 6.81 H new ATOM 0 HA MET A 76 13.475 -6.807 17.693 1.00 6.97 H new ATOM 0 HB2 MET A 76 12.397 -8.154 20.025 1.00 7.62 H new ATOM 0 HB3 MET A 76 14.015 -7.602 20.408 1.00 7.62 H new ATOM 0 HG2 MET A 76 12.155 -5.694 18.980 1.00 7.67 H new ATOM 0 HG3 MET A 76 11.894 -5.984 20.689 1.00 7.67 H new ATOM 0 HE1 MET A 76 13.792 -2.854 21.476 1.00 9.33 H new ATOM 0 HE2 MET A 76 12.348 -3.198 20.495 1.00 9.33 H new ATOM 0 HE3 MET A 76 12.605 -4.058 22.032 1.00 9.33 H new ATOM 1122 N GLY A 77 15.349 -9.317 18.714 1.00 8.88 N ATOM 1123 CA GLY A 77 16.711 -9.821 18.746 1.00 10.16 C ATOM 1124 C GLY A 77 16.764 -11.217 19.370 1.00 11.33 C ATOM 1125 O GLY A 77 17.588 -11.479 20.246 1.00 12.50 O ATOM 0 H GLY A 77 14.644 -9.970 19.056 1.00 8.88 H new ATOM 0 HA2 GLY A 77 17.114 -9.856 17.734 1.00 10.16 H new ATOM 0 HA3 GLY A 77 17.342 -9.139 19.317 1.00 10.16 H new ATOM 1129 N LEU A 78 15.875 -12.077 18.895 1.00 11.33 N ATOM 1130 CA LEU A 78 15.810 -13.440 19.395 1.00 12.79 C ATOM 1131 C LEU A 78 16.011 -14.415 18.234 1.00 13.11 C ATOM 1132 O LEU A 78 16.930 -15.233 18.258 1.00 14.18 O ATOM 1133 CB LEU A 78 14.509 -13.664 20.169 1.00 13.39 C ATOM 1134 CG LEU A 78 13.920 -15.075 20.095 1.00 14.49 C ATOM 1135 CD1 LEU A 78 13.148 -15.279 18.790 1.00 14.28 C ATOM 1136 CD2 LEU A 78 15.007 -16.134 20.288 1.00 15.54 C ATOM 0 H LEU A 78 15.193 -11.856 18.169 1.00 11.33 H new ATOM 0 HA LEU A 78 16.614 -13.624 20.108 1.00 12.79 H new ATOM 0 HB2 LEU A 78 14.686 -13.420 21.216 1.00 13.39 H new ATOM 0 HB3 LEU A 78 13.763 -12.960 19.799 1.00 13.39 H new ATOM 0 HG LEU A 78 13.208 -15.191 20.912 1.00 14.49 H new ATOM 0 HD11 LEU A 78 12.740 -16.289 18.763 1.00 14.28 H new ATOM 0 HD12 LEU A 78 12.333 -14.557 18.732 1.00 14.28 H new ATOM 0 HD13 LEU A 78 13.820 -15.136 17.944 1.00 14.28 H new ATOM 0 HD21 LEU A 78 14.562 -17.127 20.231 1.00 15.54 H new ATOM 0 HD22 LEU A 78 15.760 -16.029 19.507 1.00 15.54 H new ATOM 0 HD23 LEU A 78 15.475 -16.002 21.264 1.00 15.54 H new ATOM 1148 N ALA A 79 15.138 -14.295 17.245 1.00 12.41 N ATOM 1149 CA ALA A 79 15.209 -15.156 16.077 1.00 13.01 C ATOM 1150 C ALA A 79 16.208 -14.570 15.077 1.00 12.45 C ATOM 1151 O ALA A 79 16.870 -15.311 14.349 1.00 13.30 O ATOM 1152 CB ALA A 79 13.811 -15.319 15.476 1.00 13.16 C ATOM 0 H ALA A 79 14.378 -13.615 17.228 1.00 12.41 H new ATOM 0 HA ALA A 79 15.563 -16.149 16.354 1.00 13.01 H new ATOM 0 HB1 ALA A 79 13.865 -15.965 14.600 1.00 13.16 H new ATOM 0 HB2 ALA A 79 13.147 -15.766 16.216 1.00 13.16 H new ATOM 0 HB3 ALA A 79 13.424 -14.343 15.184 1.00 13.16 H new ATOM 1158 N TYR A 80 16.286 -13.248 15.072 1.00 11.33 N ATOM 1159 CA TYR A 80 17.193 -12.555 14.174 1.00 11.24 C ATOM 1160 C TYR A 80 18.500 -13.334 14.005 1.00 12.36 C ATOM 1161 O TYR A 80 18.747 -13.916 12.950 1.00 13.05 O ATOM 1162 CB TYR A 80 17.497 -11.210 14.836 1.00 10.61 C ATOM 1163 CG TYR A 80 18.451 -11.306 16.029 1.00 11.54 C ATOM 1164 CD1 TYR A 80 18.146 -12.129 17.092 1.00 12.46 C ATOM 1165 CD2 TYR A 80 19.618 -10.567 16.040 1.00 11.86 C ATOM 1166 CE1 TYR A 80 19.043 -12.219 18.215 1.00 13.68 C ATOM 1167 CE2 TYR A 80 20.515 -10.657 17.163 1.00 13.09 C ATOM 1168 CZ TYR A 80 20.184 -11.478 18.194 1.00 13.90 C ATOM 1169 OH TYR A 80 21.032 -11.563 19.255 1.00 15.27 O ATOM 0 H TYR A 80 15.735 -12.638 15.676 1.00 11.33 H new ATOM 0 HA TYR A 80 16.744 -12.443 13.187 1.00 11.24 H new ATOM 0 HB2 TYR A 80 17.928 -10.540 14.092 1.00 10.61 H new ATOM 0 HB3 TYR A 80 16.561 -10.760 15.167 1.00 10.61 H new ATOM 0 HD1 TYR A 80 17.234 -12.707 17.083 1.00 12.46 H new ATOM 0 HD2 TYR A 80 19.857 -9.922 15.207 1.00 11.86 H new ATOM 0 HE1 TYR A 80 18.815 -12.860 19.054 1.00 13.68 H new ATOM 0 HE2 TYR A 80 21.431 -10.085 17.185 1.00 13.09 H new ATOM 0 HH TYR A 80 21.806 -10.981 19.103 1.00 15.27 H new TER 1179 TYR A 80 HETATM 1180 FE1 SF4 A 81 -5.932 1.330 -1.918 1.00 0.49 FE HETATM 1181 FE2 SF4 A 81 -7.070 2.193 0.308 1.00 0.43 FE HETATM 1182 FE3 SF4 A 81 -4.234 1.795 0.334 1.00 0.54 FE HETATM 1183 FE4 SF4 A 81 -5.981 -0.443 0.212 1.00 0.64 FE HETATM 1184 S1 SF4 A 81 -5.820 0.952 1.933 1.00 0.55 S HETATM 1185 S2 SF4 A 81 -4.277 0.126 -1.130 1.00 0.70 S HETATM 1186 S3 SF4 A 81 -7.782 0.537 -0.982 1.00 0.49 S HETATM 1187 S4 SF4 A 81 -5.575 3.419 -0.784 1.00 0.48 S HETATM 1188 FE1 SF4 A 82 7.477 3.058 6.440 1.00 0.73 FE HETATM 1189 FE2 SF4 A 82 6.391 4.598 8.298 1.00 0.90 FE HETATM 1190 FE3 SF4 A 82 4.882 2.722 6.992 1.00 0.74 FE HETATM 1191 FE4 SF4 A 82 5.524 4.975 5.644 1.00 0.73 FE HETATM 1192 S1 SF4 A 82 4.190 4.775 7.408 1.00 0.86 S HETATM 1193 S2 SF4 A 82 5.861 2.686 4.999 1.00 0.89 S HETATM 1194 S3 SF4 A 82 7.648 5.265 6.612 1.00 0.93 S HETATM 1195 S4 SF4 A 82 6.604 2.391 8.435 1.00 0.83 S