USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 604 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 45 TYR OH : rot 180:sc= -0.411 USER MOD Set 1.2: A 48 THR OG1 : rot 86:sc= 0.481 USER MOD Set 2.1: A 9 TYR OH : rot 5:sc= -0.163 USER MOD Set 2.2: A 35 TYR OH : rot 17:sc= -0.695 USER MOD Set 2.3: A 38 THR OG1 : rot 39:sc= 0.194 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0439 (180deg=-0.329) USER MOD Single : A 1 MET N :NH3+ 128:sc= 0.0455 (180deg=-0.000461) USER MOD Single : A 6 THR OG1 : rot 32:sc= 0.155 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.264 K(o=0.26,f=-2.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00941 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0.785 (180deg=0.709) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 36:sc= 0.0226 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 36:sc= 0.401 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 130:sc= -0.285 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= -0.915 (180deg=-3.01!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00411 USER MOD Single : A 63 THR OG1 : rot 42:sc= 0.0456 USER MOD Single : A 69 SER OG : rot 97:sc= 0.773 USER MOD Single : A 71 ASN : amide:sc= -0.754 K(o=-0.75,f=-5.1!) USER MOD Single : A 75 HIS : +bothHN:sc= 0.558 K(o=0.56,f=-1.9) USER MOD Single : A 77 LYS NZ :NH3+ 175:sc=-0.00871 (180deg=-0.0643) USER MOD Single : A 78 HIS : no HD1:sc= -0.0044 X(o=-0.0044,f=-0.32) USER MOD Single : A 82 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=0.0027) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.497 23.287 3.021 1.00 55.50 N ATOM 2 CA MET A 1 -3.757 22.935 1.773 1.00 1.30 C ATOM 3 C MET A 1 -4.285 21.615 1.166 1.00 13.04 C ATOM 4 O MET A 1 -5.376 21.164 1.507 1.00 71.23 O ATOM 5 CB MET A 1 -2.227 22.856 2.068 1.00 41.40 C ATOM 6 CG MET A 1 -1.812 21.769 3.076 1.00 51.33 C ATOM 7 SD MET A 1 -0.025 21.714 3.364 1.00 54.21 S ATOM 8 CE MET A 1 0.282 23.312 4.127 1.00 41.41 C ATOM 0 H1 MET A 1 -3.818 23.469 3.788 1.00 55.50 H new ATOM 0 H2 MET A 1 -5.070 24.139 2.856 1.00 55.50 H new ATOM 0 H3 MET A 1 -5.119 22.498 3.290 1.00 55.50 H new ATOM 0 HA MET A 1 -3.925 23.718 1.033 1.00 1.30 H new ATOM 0 HB2 MET A 1 -1.700 22.680 1.130 1.00 41.40 H new ATOM 0 HB3 MET A 1 -1.895 23.824 2.443 1.00 41.40 H new ATOM 0 HG2 MET A 1 -2.322 21.946 4.023 1.00 51.33 H new ATOM 0 HG3 MET A 1 -2.146 20.797 2.712 1.00 51.33 H new ATOM 0 HE1 MET A 1 1.267 23.309 4.593 1.00 41.41 H new ATOM 0 HE2 MET A 1 0.242 24.092 3.367 1.00 41.41 H new ATOM 0 HE3 MET A 1 -0.477 23.505 4.885 1.00 41.41 H new ATOM 20 N ASP A 2 -3.530 21.039 0.213 1.00 71.11 N ATOM 21 CA ASP A 2 -3.790 19.680 -0.298 1.00 54.32 C ATOM 22 C ASP A 2 -3.270 18.621 0.703 1.00 2.02 C ATOM 23 O ASP A 2 -2.108 18.678 1.130 1.00 13.25 O ATOM 24 CB ASP A 2 -3.107 19.490 -1.670 1.00 72.54 C ATOM 25 CG ASP A 2 -3.501 20.586 -2.669 1.00 3.43 C ATOM 26 OD1 ASP A 2 -4.580 20.482 -3.286 1.00 71.53 O ATOM 27 OD2 ASP A 2 -2.741 21.571 -2.815 1.00 22.51 O ATOM 0 H ASP A 2 -2.729 21.497 -0.222 1.00 71.11 H new ATOM 0 HA ASP A 2 -4.866 19.552 -0.416 1.00 54.32 H new ATOM 0 HB2 ASP A 2 -2.025 19.492 -1.539 1.00 72.54 H new ATOM 0 HB3 ASP A 2 -3.377 18.515 -2.077 1.00 72.54 H new ATOM 32 N GLU A 3 -4.138 17.672 1.091 1.00 1.13 N ATOM 33 CA GLU A 3 -3.775 16.564 2.003 1.00 34.11 C ATOM 34 C GLU A 3 -3.303 15.329 1.201 1.00 11.52 C ATOM 35 O GLU A 3 -3.787 15.068 0.100 1.00 31.23 O ATOM 36 CB GLU A 3 -4.973 16.203 2.934 1.00 1.01 C ATOM 37 CG GLU A 3 -5.198 17.158 4.137 1.00 2.04 C ATOM 38 CD GLU A 3 -5.521 18.610 3.740 1.00 52.35 C ATOM 39 OE1 GLU A 3 -6.601 18.839 3.151 1.00 23.05 O ATOM 40 OE2 GLU A 3 -4.697 19.520 3.998 1.00 22.20 O ATOM 0 H GLU A 3 -5.110 17.647 0.784 1.00 1.13 H new ATOM 0 HA GLU A 3 -2.947 16.893 2.631 1.00 34.11 H new ATOM 0 HB2 GLU A 3 -5.883 16.182 2.334 1.00 1.01 H new ATOM 0 HB3 GLU A 3 -4.821 15.194 3.317 1.00 1.01 H new ATOM 0 HG2 GLU A 3 -6.014 16.770 4.746 1.00 2.04 H new ATOM 0 HG3 GLU A 3 -4.304 17.154 4.761 1.00 2.04 H new ATOM 47 N ASP A 4 -2.331 14.585 1.765 1.00 72.00 N ATOM 48 CA ASP A 4 -1.708 13.413 1.104 1.00 2.53 C ATOM 49 C ASP A 4 -2.024 12.089 1.843 1.00 1.22 C ATOM 50 O ASP A 4 -2.581 12.085 2.950 1.00 33.44 O ATOM 51 CB ASP A 4 -0.171 13.614 1.021 1.00 74.33 C ATOM 52 CG ASP A 4 0.228 14.942 0.359 1.00 2.23 C ATOM 53 OD1 ASP A 4 0.091 15.076 -0.877 1.00 4.14 O ATOM 54 OD2 ASP A 4 0.654 15.872 1.078 1.00 64.23 O ATOM 0 H ASP A 4 -1.953 14.777 2.693 1.00 72.00 H new ATOM 0 HA ASP A 4 -2.130 13.338 0.102 1.00 2.53 H new ATOM 0 HB2 ASP A 4 0.249 13.575 2.026 1.00 74.33 H new ATOM 0 HB3 ASP A 4 0.268 12.789 0.460 1.00 74.33 H new ATOM 59 N ALA A 5 -1.688 10.968 1.179 1.00 11.40 N ATOM 60 CA ALA A 5 -1.692 9.612 1.770 1.00 33.55 C ATOM 61 C ALA A 5 -0.641 8.728 1.044 1.00 3.42 C ATOM 62 O ALA A 5 -0.670 8.601 -0.182 1.00 50.14 O ATOM 63 CB ALA A 5 -3.093 8.989 1.707 1.00 22.24 C ATOM 0 H ALA A 5 -1.401 10.976 0.200 1.00 11.40 H new ATOM 0 HA ALA A 5 -1.421 9.680 2.824 1.00 33.55 H new ATOM 0 HB1 ALA A 5 -3.068 7.992 2.148 1.00 22.24 H new ATOM 0 HB2 ALA A 5 -3.794 9.613 2.261 1.00 22.24 H new ATOM 0 HB3 ALA A 5 -3.413 8.918 0.668 1.00 22.24 H new ATOM 69 N THR A 6 0.290 8.130 1.808 1.00 20.22 N ATOM 70 CA THR A 6 1.478 7.425 1.249 1.00 31.52 C ATOM 71 C THR A 6 1.331 5.887 1.325 1.00 25.10 C ATOM 72 O THR A 6 1.022 5.349 2.375 1.00 11.20 O ATOM 73 CB THR A 6 2.776 7.858 2.012 1.00 73.34 C ATOM 74 OG1 THR A 6 2.662 7.544 3.415 1.00 62.15 O ATOM 75 CG2 THR A 6 3.056 9.366 1.854 1.00 44.10 C ATOM 0 H THR A 6 0.249 8.116 2.827 1.00 20.22 H new ATOM 0 HA THR A 6 1.551 7.707 0.199 1.00 31.52 H new ATOM 0 HB THR A 6 3.606 7.304 1.574 1.00 73.34 H new ATOM 0 HG1 THR A 6 2.116 6.738 3.526 1.00 62.15 H new ATOM 0 HG21 THR A 6 3.964 9.626 2.398 1.00 44.10 H new ATOM 0 HG22 THR A 6 3.184 9.604 0.798 1.00 44.10 H new ATOM 0 HG23 THR A 6 2.217 9.936 2.255 1.00 44.10 H new ATOM 83 N ILE A 7 1.560 5.181 0.199 1.00 31.41 N ATOM 84 CA ILE A 7 1.519 3.698 0.137 1.00 32.02 C ATOM 85 C ILE A 7 2.961 3.151 -0.049 1.00 63.51 C ATOM 86 O ILE A 7 3.529 3.238 -1.141 1.00 15.24 O ATOM 87 CB ILE A 7 0.580 3.145 -1.024 1.00 22.34 C ATOM 88 CG1 ILE A 7 -0.908 3.657 -0.904 1.00 64.55 C ATOM 89 CG2 ILE A 7 0.607 1.587 -1.064 1.00 0.32 C ATOM 90 CD1 ILE A 7 -1.161 5.086 -1.367 1.00 21.54 C ATOM 0 H ILE A 7 1.779 5.619 -0.696 1.00 31.41 H new ATOM 0 HA ILE A 7 1.092 3.349 1.077 1.00 32.02 H new ATOM 0 HB ILE A 7 0.982 3.538 -1.958 1.00 22.34 H new ATOM 0 HG12 ILE A 7 -1.549 2.990 -1.481 1.00 64.55 H new ATOM 0 HG13 ILE A 7 -1.217 3.573 0.138 1.00 64.55 H new ATOM 0 HG21 ILE A 7 -0.042 1.232 -1.865 1.00 0.32 H new ATOM 0 HG22 ILE A 7 1.626 1.245 -1.244 1.00 0.32 H new ATOM 0 HG23 ILE A 7 0.255 1.192 -0.111 1.00 0.32 H new ATOM 0 HD11 ILE A 7 -2.216 5.329 -1.239 1.00 21.54 H new ATOM 0 HD12 ILE A 7 -0.556 5.773 -0.775 1.00 21.54 H new ATOM 0 HD13 ILE A 7 -0.892 5.181 -2.419 1.00 21.54 H new ATOM 102 N THR A 8 3.548 2.600 1.027 1.00 2.21 N ATOM 103 CA THR A 8 4.933 2.062 1.019 1.00 10.14 C ATOM 104 C THR A 8 4.913 0.517 0.963 1.00 23.04 C ATOM 105 O THR A 8 4.350 -0.130 1.846 1.00 53.12 O ATOM 106 CB THR A 8 5.722 2.525 2.300 1.00 14.13 C ATOM 107 OG1 THR A 8 5.678 3.959 2.411 1.00 64.54 O ATOM 108 CG2 THR A 8 7.200 2.068 2.285 1.00 75.40 C ATOM 0 H THR A 8 3.082 2.512 1.930 1.00 2.21 H new ATOM 0 HA THR A 8 5.435 2.450 0.133 1.00 10.14 H new ATOM 0 HB THR A 8 5.236 2.058 3.157 1.00 14.13 H new ATOM 0 HG1 THR A 8 6.169 4.240 3.211 1.00 64.54 H new ATOM 0 HG21 THR A 8 7.697 2.414 3.191 1.00 75.40 H new ATOM 0 HG22 THR A 8 7.244 0.980 2.240 1.00 75.40 H new ATOM 0 HG23 THR A 8 7.702 2.488 1.413 1.00 75.40 H new ATOM 116 N TYR A 9 5.527 -0.069 -0.075 1.00 13.31 N ATOM 117 CA TYR A 9 5.709 -1.536 -0.182 1.00 71.50 C ATOM 118 C TYR A 9 6.972 -1.967 0.597 1.00 31.45 C ATOM 119 O TYR A 9 8.004 -1.316 0.494 1.00 72.21 O ATOM 120 CB TYR A 9 5.840 -1.956 -1.669 1.00 53.10 C ATOM 121 CG TYR A 9 4.581 -1.725 -2.518 1.00 10.24 C ATOM 122 CD1 TYR A 9 4.245 -0.450 -2.993 1.00 14.22 C ATOM 123 CD2 TYR A 9 3.728 -2.787 -2.850 1.00 42.14 C ATOM 124 CE1 TYR A 9 3.110 -0.245 -3.751 1.00 52.52 C ATOM 125 CE2 TYR A 9 2.597 -2.581 -3.609 1.00 40.44 C ATOM 126 CZ TYR A 9 2.294 -1.312 -4.059 1.00 60.13 C ATOM 127 OH TYR A 9 1.166 -1.108 -4.811 1.00 63.22 O ATOM 0 H TYR A 9 5.912 0.451 -0.863 1.00 13.31 H new ATOM 0 HA TYR A 9 4.836 -2.029 0.247 1.00 71.50 H new ATOM 0 HB2 TYR A 9 6.668 -1.406 -2.116 1.00 53.10 H new ATOM 0 HB3 TYR A 9 6.101 -3.014 -1.711 1.00 53.10 H new ATOM 0 HD1 TYR A 9 4.886 0.388 -2.762 1.00 14.22 H new ATOM 0 HD2 TYR A 9 3.962 -3.783 -2.505 1.00 42.14 H new ATOM 0 HE1 TYR A 9 2.863 0.746 -4.101 1.00 52.52 H new ATOM 0 HE2 TYR A 9 1.949 -3.410 -3.851 1.00 40.44 H new ATOM 0 HH TYR A 9 1.135 -0.174 -5.108 1.00 63.22 H new ATOM 137 N VAL A 10 6.868 -3.049 1.389 1.00 45.11 N ATOM 138 CA VAL A 10 8.004 -3.648 2.146 1.00 51.05 C ATOM 139 C VAL A 10 7.936 -5.199 2.083 1.00 12.04 C ATOM 140 O VAL A 10 6.870 -5.763 1.792 1.00 54.15 O ATOM 141 CB VAL A 10 8.028 -3.187 3.663 1.00 72.43 C ATOM 142 CG1 VAL A 10 8.278 -1.665 3.810 1.00 52.10 C ATOM 143 CG2 VAL A 10 6.739 -3.610 4.411 1.00 65.34 C ATOM 0 H VAL A 10 5.987 -3.544 1.529 1.00 45.11 H new ATOM 0 HA VAL A 10 8.920 -3.294 1.673 1.00 51.05 H new ATOM 0 HB VAL A 10 8.870 -3.701 4.128 1.00 72.43 H new ATOM 0 HG11 VAL A 10 8.286 -1.398 4.867 1.00 52.10 H new ATOM 0 HG12 VAL A 10 9.239 -1.409 3.364 1.00 52.10 H new ATOM 0 HG13 VAL A 10 7.485 -1.115 3.303 1.00 52.10 H new ATOM 0 HG21 VAL A 10 6.793 -3.276 5.447 1.00 65.34 H new ATOM 0 HG22 VAL A 10 5.873 -3.157 3.929 1.00 65.34 H new ATOM 0 HG23 VAL A 10 6.642 -4.695 4.384 1.00 65.34 H new ATOM 153 N ASP A 11 9.073 -5.893 2.347 1.00 3.22 N ATOM 154 CA ASP A 11 9.090 -7.372 2.455 1.00 51.12 C ATOM 155 C ASP A 11 9.693 -7.826 3.819 1.00 34.34 C ATOM 156 O ASP A 11 10.805 -7.429 4.199 1.00 71.12 O ATOM 157 CB ASP A 11 9.801 -8.026 1.229 1.00 4.31 C ATOM 158 CG ASP A 11 11.324 -8.103 1.317 1.00 63.44 C ATOM 159 OD1 ASP A 11 12.003 -7.091 1.056 1.00 30.01 O ATOM 160 OD2 ASP A 11 11.844 -9.192 1.647 1.00 53.22 O ATOM 0 H ASP A 11 9.983 -5.454 2.488 1.00 3.22 H new ATOM 0 HA ASP A 11 8.060 -7.728 2.434 1.00 51.12 H new ATOM 0 HB2 ASP A 11 9.410 -9.035 1.100 1.00 4.31 H new ATOM 0 HB3 ASP A 11 9.534 -7.464 0.334 1.00 4.31 H new ATOM 165 N ASP A 12 8.918 -8.645 4.550 1.00 3.51 N ATOM 166 CA ASP A 12 9.233 -9.109 5.919 1.00 62.23 C ATOM 167 C ASP A 12 10.475 -10.049 6.000 1.00 50.50 C ATOM 168 O ASP A 12 11.134 -10.113 7.046 1.00 51.40 O ATOM 169 CB ASP A 12 7.986 -9.803 6.505 1.00 52.45 C ATOM 170 CG ASP A 12 6.722 -8.922 6.420 1.00 41.03 C ATOM 171 OD1 ASP A 12 6.588 -7.974 7.222 1.00 4.25 O ATOM 172 OD2 ASP A 12 5.869 -9.163 5.535 1.00 53.44 O ATOM 0 H ASP A 12 8.033 -9.014 4.200 1.00 3.51 H new ATOM 0 HA ASP A 12 9.500 -8.230 6.506 1.00 62.23 H new ATOM 0 HB2 ASP A 12 7.810 -10.737 5.971 1.00 52.45 H new ATOM 0 HB3 ASP A 12 8.175 -10.062 7.547 1.00 52.45 H new ATOM 177 N ASP A 13 10.804 -10.764 4.894 1.00 54.42 N ATOM 178 CA ASP A 13 11.992 -11.668 4.840 1.00 74.22 C ATOM 179 C ASP A 13 13.324 -10.891 4.730 1.00 51.44 C ATOM 180 O ASP A 13 14.405 -11.490 4.792 1.00 44.04 O ATOM 181 CB ASP A 13 11.870 -12.671 3.667 1.00 71.22 C ATOM 182 CG ASP A 13 10.832 -13.763 3.934 1.00 52.55 C ATOM 183 OD1 ASP A 13 11.159 -14.763 4.609 1.00 54.44 O ATOM 184 OD2 ASP A 13 9.690 -13.624 3.492 1.00 62.24 O ATOM 0 H ASP A 13 10.267 -10.735 4.027 1.00 54.42 H new ATOM 0 HA ASP A 13 12.007 -12.215 5.783 1.00 74.22 H new ATOM 0 HB2 ASP A 13 11.600 -12.132 2.759 1.00 71.22 H new ATOM 0 HB3 ASP A 13 12.840 -13.133 3.486 1.00 71.22 H new ATOM 189 N LYS A 14 13.239 -9.568 4.552 1.00 54.25 N ATOM 190 CA LYS A 14 14.403 -8.664 4.532 1.00 35.51 C ATOM 191 C LYS A 14 14.224 -7.533 5.575 1.00 10.43 C ATOM 192 O LYS A 14 14.751 -6.428 5.416 1.00 20.41 O ATOM 193 CB LYS A 14 14.607 -8.121 3.083 1.00 14.32 C ATOM 194 CG LYS A 14 15.271 -9.100 2.063 1.00 12.23 C ATOM 195 CD LYS A 14 16.830 -9.129 2.122 1.00 34.20 C ATOM 196 CE LYS A 14 17.412 -9.824 3.364 1.00 53.31 C ATOM 197 NZ LYS A 14 18.894 -9.750 3.401 1.00 13.34 N ATOM 0 H LYS A 14 12.351 -9.085 4.416 1.00 54.25 H new ATOM 0 HA LYS A 14 15.306 -9.206 4.813 1.00 35.51 H new ATOM 0 HB2 LYS A 14 13.635 -7.824 2.689 1.00 14.32 H new ATOM 0 HB3 LYS A 14 15.217 -7.219 3.138 1.00 14.32 H new ATOM 0 HG2 LYS A 14 14.893 -10.106 2.245 1.00 12.23 H new ATOM 0 HG3 LYS A 14 14.962 -8.821 1.056 1.00 12.23 H new ATOM 0 HD2 LYS A 14 17.205 -9.633 1.231 1.00 34.20 H new ATOM 0 HD3 LYS A 14 17.201 -8.105 2.088 1.00 34.20 H new ATOM 0 HE2 LYS A 14 17.004 -9.362 4.263 1.00 53.31 H new ATOM 0 HE3 LYS A 14 17.101 -10.869 3.374 1.00 53.31 H new ATOM 0 HZ1 LYS A 14 19.244 -10.231 4.254 1.00 13.34 H new ATOM 0 HZ2 LYS A 14 19.286 -10.214 2.557 1.00 13.34 H new ATOM 0 HZ3 LYS A 14 19.192 -8.754 3.418 1.00 13.34 H new ATOM 211 N GLY A 15 13.488 -7.848 6.668 1.00 52.15 N ATOM 212 CA GLY A 15 13.334 -6.941 7.818 1.00 72.33 C ATOM 213 C GLY A 15 12.474 -5.714 7.526 1.00 33.11 C ATOM 214 O GLY A 15 12.645 -4.667 8.166 1.00 72.03 O ATOM 0 H GLY A 15 12.990 -8.732 6.772 1.00 52.15 H new ATOM 0 HA2 GLY A 15 12.892 -7.493 8.647 1.00 72.33 H new ATOM 0 HA3 GLY A 15 14.321 -6.612 8.144 1.00 72.33 H new ATOM 218 N GLY A 16 11.523 -5.861 6.585 1.00 43.01 N ATOM 219 CA GLY A 16 10.726 -4.737 6.091 1.00 62.14 C ATOM 220 C GLY A 16 11.487 -3.863 5.086 1.00 23.01 C ATOM 221 O GLY A 16 11.423 -2.628 5.155 1.00 4.24 O ATOM 0 H GLY A 16 11.292 -6.756 6.153 1.00 43.01 H new ATOM 0 HA2 GLY A 16 9.820 -5.119 5.620 1.00 62.14 H new ATOM 0 HA3 GLY A 16 10.411 -4.122 6.934 1.00 62.14 H new ATOM 225 N ALA A 17 12.218 -4.507 4.148 1.00 43.14 N ATOM 226 CA ALA A 17 12.964 -3.791 3.087 1.00 51.04 C ATOM 227 C ALA A 17 12.010 -3.343 1.963 1.00 51.14 C ATOM 228 O ALA A 17 11.211 -4.140 1.466 1.00 44.13 O ATOM 229 CB ALA A 17 14.093 -4.660 2.522 1.00 4.20 C ATOM 0 H ALA A 17 12.307 -5.522 4.104 1.00 43.14 H new ATOM 0 HA ALA A 17 13.415 -2.904 3.533 1.00 51.04 H new ATOM 0 HB1 ALA A 17 14.623 -4.108 1.745 1.00 4.20 H new ATOM 0 HB2 ALA A 17 14.787 -4.919 3.321 1.00 4.20 H new ATOM 0 HB3 ALA A 17 13.673 -5.571 2.097 1.00 4.20 H new ATOM 235 N GLN A 18 12.128 -2.075 1.557 1.00 41.31 N ATOM 236 CA GLN A 18 11.181 -1.429 0.633 1.00 50.32 C ATOM 237 C GLN A 18 11.266 -2.008 -0.805 1.00 64.14 C ATOM 238 O GLN A 18 12.357 -2.137 -1.375 1.00 53.41 O ATOM 239 CB GLN A 18 11.431 0.098 0.629 1.00 4.13 C ATOM 240 CG GLN A 18 10.401 0.927 -0.164 1.00 40.43 C ATOM 241 CD GLN A 18 10.693 2.422 -0.091 1.00 74.52 C ATOM 242 OE1 GLN A 18 10.252 3.102 0.827 1.00 20.34 O ATOM 243 NE2 GLN A 18 11.441 2.943 -1.047 1.00 51.32 N ATOM 0 H GLN A 18 12.885 -1.462 1.859 1.00 41.31 H new ATOM 0 HA GLN A 18 10.171 -1.635 0.987 1.00 50.32 H new ATOM 0 HB2 GLN A 18 11.442 0.451 1.660 1.00 4.13 H new ATOM 0 HB3 GLN A 18 12.422 0.287 0.216 1.00 4.13 H new ATOM 0 HG2 GLN A 18 10.404 0.608 -1.206 1.00 40.43 H new ATOM 0 HG3 GLN A 18 9.402 0.733 0.226 1.00 40.43 H new ATOM 0 HE21 GLN A 18 11.794 2.350 -1.799 1.00 51.32 H new ATOM 0 HE22 GLN A 18 11.666 3.938 -1.034 1.00 51.32 H new ATOM 252 N VAL A 19 10.090 -2.331 -1.377 1.00 25.32 N ATOM 253 CA VAL A 19 9.965 -2.889 -2.739 1.00 62.10 C ATOM 254 C VAL A 19 9.572 -1.732 -3.694 1.00 72.31 C ATOM 255 O VAL A 19 8.419 -1.282 -3.687 1.00 2.34 O ATOM 256 CB VAL A 19 8.878 -4.043 -2.792 1.00 55.43 C ATOM 257 CG1 VAL A 19 8.829 -4.722 -4.186 1.00 54.54 C ATOM 258 CG2 VAL A 19 9.109 -5.090 -1.672 1.00 22.23 C ATOM 0 H VAL A 19 9.194 -2.212 -0.905 1.00 25.32 H new ATOM 0 HA VAL A 19 10.915 -3.330 -3.042 1.00 62.10 H new ATOM 0 HB VAL A 19 7.908 -3.577 -2.619 1.00 55.43 H new ATOM 0 HG11 VAL A 19 8.073 -5.507 -4.182 1.00 54.54 H new ATOM 0 HG12 VAL A 19 8.578 -3.980 -4.944 1.00 54.54 H new ATOM 0 HG13 VAL A 19 9.802 -5.157 -4.413 1.00 54.54 H new ATOM 0 HG21 VAL A 19 8.347 -5.867 -1.737 1.00 22.23 H new ATOM 0 HG22 VAL A 19 10.095 -5.539 -1.791 1.00 22.23 H new ATOM 0 HG23 VAL A 19 9.048 -4.602 -0.699 1.00 22.23 H new ATOM 268 N GLY A 20 10.536 -1.252 -4.500 1.00 53.31 N ATOM 269 CA GLY A 20 10.341 -0.040 -5.318 1.00 70.22 C ATOM 270 C GLY A 20 10.383 1.257 -4.487 1.00 72.42 C ATOM 271 O GLY A 20 11.235 1.403 -3.602 1.00 24.41 O ATOM 0 H GLY A 20 11.455 -1.683 -4.603 1.00 53.31 H new ATOM 0 HA2 GLY A 20 11.113 0.002 -6.087 1.00 70.22 H new ATOM 0 HA3 GLY A 20 9.382 -0.105 -5.832 1.00 70.22 H new ATOM 275 N ASP A 21 9.470 2.202 -4.774 1.00 41.32 N ATOM 276 CA ASP A 21 9.392 3.510 -4.068 1.00 12.55 C ATOM 277 C ASP A 21 8.075 3.643 -3.259 1.00 33.51 C ATOM 278 O ASP A 21 7.248 2.724 -3.229 1.00 22.40 O ATOM 279 CB ASP A 21 9.499 4.671 -5.093 1.00 34.33 C ATOM 280 CG ASP A 21 10.812 4.646 -5.889 1.00 54.52 C ATOM 281 OD1 ASP A 21 11.848 5.099 -5.358 1.00 31.53 O ATOM 282 OD2 ASP A 21 10.811 4.174 -7.048 1.00 24.32 O ATOM 0 H ASP A 21 8.763 2.088 -5.500 1.00 41.32 H new ATOM 0 HA ASP A 21 10.225 3.562 -3.366 1.00 12.55 H new ATOM 0 HB2 ASP A 21 8.659 4.616 -5.786 1.00 34.33 H new ATOM 0 HB3 ASP A 21 9.417 5.622 -4.567 1.00 34.33 H new ATOM 287 N ILE A 22 7.905 4.806 -2.595 1.00 21.43 N ATOM 288 CA ILE A 22 6.652 5.168 -1.888 1.00 22.41 C ATOM 289 C ILE A 22 5.679 5.842 -2.888 1.00 55.11 C ATOM 290 O ILE A 22 6.108 6.640 -3.729 1.00 73.15 O ATOM 291 CB ILE A 22 6.890 6.159 -0.672 1.00 15.13 C ATOM 292 CG1 ILE A 22 8.042 5.683 0.289 1.00 53.55 C ATOM 293 CG2 ILE A 22 5.575 6.383 0.125 1.00 64.00 C ATOM 294 CD1 ILE A 22 9.457 6.024 -0.173 1.00 75.23 C ATOM 0 H ILE A 22 8.630 5.521 -2.532 1.00 21.43 H new ATOM 0 HA ILE A 22 6.237 4.244 -1.485 1.00 22.41 H new ATOM 0 HB ILE A 22 7.210 7.107 -1.104 1.00 15.13 H new ATOM 0 HG12 ILE A 22 7.881 6.127 1.271 1.00 53.55 H new ATOM 0 HG13 ILE A 22 7.968 4.602 0.412 1.00 53.55 H new ATOM 0 HG21 ILE A 22 5.763 7.066 0.953 1.00 64.00 H new ATOM 0 HG22 ILE A 22 4.819 6.811 -0.533 1.00 64.00 H new ATOM 0 HG23 ILE A 22 5.219 5.429 0.515 1.00 64.00 H new ATOM 0 HD11 ILE A 22 10.177 5.654 0.557 1.00 75.23 H new ATOM 0 HD12 ILE A 22 9.647 5.557 -1.139 1.00 75.23 H new ATOM 0 HD13 ILE A 22 9.559 7.105 -0.267 1.00 75.23 H new ATOM 306 N VAL A 23 4.376 5.540 -2.787 1.00 41.04 N ATOM 307 CA VAL A 23 3.347 6.101 -3.694 1.00 31.31 C ATOM 308 C VAL A 23 2.477 7.134 -2.942 1.00 35.14 C ATOM 309 O VAL A 23 1.575 6.770 -2.190 1.00 0.02 O ATOM 310 CB VAL A 23 2.441 4.959 -4.296 1.00 54.51 C ATOM 311 CG1 VAL A 23 1.396 5.523 -5.292 1.00 30.33 C ATOM 312 CG2 VAL A 23 3.306 3.853 -4.955 1.00 32.13 C ATOM 0 H VAL A 23 4.001 4.905 -2.082 1.00 41.04 H new ATOM 0 HA VAL A 23 3.856 6.600 -4.518 1.00 31.31 H new ATOM 0 HB VAL A 23 1.890 4.508 -3.471 1.00 54.51 H new ATOM 0 HG11 VAL A 23 0.791 4.706 -5.686 1.00 30.33 H new ATOM 0 HG12 VAL A 23 0.752 6.237 -4.778 1.00 30.33 H new ATOM 0 HG13 VAL A 23 1.909 6.023 -6.114 1.00 30.33 H new ATOM 0 HG21 VAL A 23 2.657 3.078 -5.362 1.00 32.13 H new ATOM 0 HG22 VAL A 23 3.901 4.287 -5.758 1.00 32.13 H new ATOM 0 HG23 VAL A 23 3.969 3.416 -4.208 1.00 32.13 H new ATOM 322 N THR A 24 2.756 8.428 -3.143 1.00 52.32 N ATOM 323 CA THR A 24 1.964 9.516 -2.534 1.00 11.03 C ATOM 324 C THR A 24 0.799 9.911 -3.455 1.00 51.44 C ATOM 325 O THR A 24 1.013 10.338 -4.597 1.00 53.31 O ATOM 326 CB THR A 24 2.824 10.786 -2.246 1.00 1.24 C ATOM 327 OG1 THR A 24 3.976 10.432 -1.456 1.00 71.11 O ATOM 328 CG2 THR A 24 2.017 11.879 -1.509 1.00 74.11 C ATOM 0 H THR A 24 3.528 8.753 -3.725 1.00 52.32 H new ATOM 0 HA THR A 24 1.587 9.133 -1.586 1.00 11.03 H new ATOM 0 HB THR A 24 3.138 11.190 -3.209 1.00 1.24 H new ATOM 0 HG1 THR A 24 4.512 11.234 -1.281 1.00 71.11 H new ATOM 0 HG21 THR A 24 2.656 12.744 -1.330 1.00 74.11 H new ATOM 0 HG22 THR A 24 1.165 12.177 -2.121 1.00 74.11 H new ATOM 0 HG23 THR A 24 1.660 11.488 -0.556 1.00 74.11 H new ATOM 336 N VAL A 25 -0.428 9.754 -2.954 1.00 35.11 N ATOM 337 CA VAL A 25 -1.646 10.243 -3.621 1.00 51.03 C ATOM 338 C VAL A 25 -2.164 11.509 -2.882 1.00 15.30 C ATOM 339 O VAL A 25 -2.046 11.606 -1.656 1.00 70.21 O ATOM 340 CB VAL A 25 -2.744 9.110 -3.698 1.00 54.43 C ATOM 341 CG1 VAL A 25 -2.265 7.929 -4.578 1.00 12.24 C ATOM 342 CG2 VAL A 25 -3.145 8.609 -2.294 1.00 30.22 C ATOM 0 H VAL A 25 -0.610 9.282 -2.069 1.00 35.11 H new ATOM 0 HA VAL A 25 -1.411 10.518 -4.649 1.00 51.03 H new ATOM 0 HB VAL A 25 -3.628 9.549 -4.161 1.00 54.43 H new ATOM 0 HG11 VAL A 25 -3.040 7.164 -4.613 1.00 12.24 H new ATOM 0 HG12 VAL A 25 -2.062 8.286 -5.587 1.00 12.24 H new ATOM 0 HG13 VAL A 25 -1.355 7.504 -4.153 1.00 12.24 H new ATOM 0 HG21 VAL A 25 -3.902 7.830 -2.388 1.00 30.22 H new ATOM 0 HG22 VAL A 25 -2.269 8.204 -1.788 1.00 30.22 H new ATOM 0 HG23 VAL A 25 -3.548 9.439 -1.713 1.00 30.22 H new ATOM 352 N THR A 26 -2.733 12.484 -3.623 1.00 42.43 N ATOM 353 CA THR A 26 -3.025 13.843 -3.072 1.00 44.14 C ATOM 354 C THR A 26 -4.454 14.338 -3.407 1.00 42.33 C ATOM 355 O THR A 26 -5.080 13.878 -4.368 1.00 31.01 O ATOM 356 CB THR A 26 -1.971 14.889 -3.574 1.00 0.12 C ATOM 357 OG1 THR A 26 -2.206 16.179 -2.974 1.00 25.23 O ATOM 358 CG2 THR A 26 -1.962 15.026 -5.108 1.00 13.21 C ATOM 0 H THR A 26 -3.001 12.365 -4.600 1.00 42.43 H new ATOM 0 HA THR A 26 -2.959 13.750 -1.988 1.00 44.14 H new ATOM 0 HB THR A 26 -0.993 14.516 -3.268 1.00 0.12 H new ATOM 0 HG1 THR A 26 -1.537 16.817 -3.298 1.00 25.23 H new ATOM 0 HG21 THR A 26 -1.215 15.763 -5.403 1.00 13.21 H new ATOM 0 HG22 THR A 26 -1.720 14.063 -5.558 1.00 13.21 H new ATOM 0 HG23 THR A 26 -2.945 15.349 -5.450 1.00 13.21 H new ATOM 366 N GLY A 27 -4.955 15.273 -2.579 1.00 1.34 N ATOM 367 CA GLY A 27 -6.294 15.856 -2.742 1.00 31.11 C ATOM 368 C GLY A 27 -6.839 16.437 -1.428 1.00 20.21 C ATOM 369 O GLY A 27 -6.269 17.388 -0.890 1.00 31.24 O ATOM 0 H GLY A 27 -4.441 15.644 -1.780 1.00 1.34 H new ATOM 0 HA2 GLY A 27 -6.257 16.642 -3.497 1.00 31.11 H new ATOM 0 HA3 GLY A 27 -6.978 15.092 -3.111 1.00 31.11 H new ATOM 373 N LYS A 28 -7.951 15.857 -0.929 1.00 34.24 N ATOM 374 CA LYS A 28 -8.574 16.221 0.372 1.00 44.22 C ATOM 375 C LYS A 28 -9.592 15.113 0.778 1.00 75.43 C ATOM 376 O LYS A 28 -10.126 14.417 -0.091 1.00 4.24 O ATOM 377 CB LYS A 28 -9.236 17.638 0.287 1.00 62.00 C ATOM 378 CG LYS A 28 -9.668 18.263 1.646 1.00 13.40 C ATOM 379 CD LYS A 28 -9.840 19.808 1.578 1.00 32.12 C ATOM 380 CE LYS A 28 -10.962 20.267 0.622 1.00 21.42 C ATOM 381 NZ LYS A 28 -12.310 19.915 1.132 1.00 34.51 N ATOM 0 H LYS A 28 -8.450 15.115 -1.419 1.00 34.24 H new ATOM 0 HA LYS A 28 -7.811 16.280 1.148 1.00 44.22 H new ATOM 0 HB2 LYS A 28 -8.536 18.318 -0.198 1.00 62.00 H new ATOM 0 HB3 LYS A 28 -10.113 17.571 -0.357 1.00 62.00 H new ATOM 0 HG2 LYS A 28 -10.608 17.812 1.964 1.00 13.40 H new ATOM 0 HG3 LYS A 28 -8.924 18.019 2.405 1.00 13.40 H new ATOM 0 HD2 LYS A 28 -10.051 20.185 2.579 1.00 32.12 H new ATOM 0 HD3 LYS A 28 -8.898 20.256 1.260 1.00 32.12 H new ATOM 0 HE2 LYS A 28 -10.899 21.346 0.481 1.00 21.42 H new ATOM 0 HE3 LYS A 28 -10.814 19.809 -0.356 1.00 21.42 H new ATOM 0 HZ1 LYS A 28 -13.016 20.070 0.384 1.00 34.51 H new ATOM 0 HZ2 LYS A 28 -12.323 18.915 1.418 1.00 34.51 H new ATOM 0 HZ3 LYS A 28 -12.538 20.513 1.952 1.00 34.51 H new ATOM 395 N THR A 29 -9.835 14.958 2.103 1.00 11.41 N ATOM 396 CA THR A 29 -10.623 13.821 2.709 1.00 25.03 C ATOM 397 C THR A 29 -12.057 13.629 2.125 1.00 51.14 C ATOM 398 O THR A 29 -12.638 12.541 2.232 1.00 72.13 O ATOM 399 CB THR A 29 -10.713 13.989 4.270 1.00 51.34 C ATOM 400 OG1 THR A 29 -11.407 12.876 4.872 1.00 72.12 O ATOM 401 CG2 THR A 29 -11.401 15.312 4.678 1.00 1.43 C ATOM 0 H THR A 29 -9.492 15.618 2.801 1.00 11.41 H new ATOM 0 HA THR A 29 -10.068 12.921 2.444 1.00 25.03 H new ATOM 0 HB THR A 29 -9.687 14.015 4.638 1.00 51.34 H new ATOM 0 HG1 THR A 29 -11.449 13.003 5.843 1.00 72.12 H new ATOM 0 HG21 THR A 29 -11.439 15.382 5.765 1.00 1.43 H new ATOM 0 HG22 THR A 29 -10.835 16.154 4.280 1.00 1.43 H new ATOM 0 HG23 THR A 29 -12.414 15.334 4.277 1.00 1.43 H new ATOM 409 N ASP A 30 -12.603 14.692 1.513 1.00 0.20 N ATOM 410 CA ASP A 30 -13.945 14.703 0.883 1.00 55.20 C ATOM 411 C ASP A 30 -14.020 13.761 -0.352 1.00 15.13 C ATOM 412 O ASP A 30 -15.096 13.267 -0.709 1.00 1.32 O ATOM 413 CB ASP A 30 -14.296 16.156 0.473 1.00 40.32 C ATOM 414 CG ASP A 30 -14.300 17.132 1.662 1.00 43.52 C ATOM 415 OD1 ASP A 30 -13.209 17.426 2.205 1.00 62.44 O ATOM 416 OD2 ASP A 30 -15.379 17.620 2.051 1.00 42.34 O ATOM 0 H ASP A 30 -12.120 15.587 1.438 1.00 0.20 H new ATOM 0 HA ASP A 30 -14.668 14.331 1.609 1.00 55.20 H new ATOM 0 HB2 ASP A 30 -13.578 16.501 -0.271 1.00 40.32 H new ATOM 0 HB3 ASP A 30 -15.277 16.167 -0.002 1.00 40.32 H new ATOM 421 N ASP A 31 -12.862 13.532 -1.003 1.00 24.22 N ATOM 422 CA ASP A 31 -12.732 12.616 -2.155 1.00 24.32 C ATOM 423 C ASP A 31 -12.103 11.270 -1.714 1.00 33.12 C ATOM 424 O ASP A 31 -11.160 11.242 -0.908 1.00 41.20 O ATOM 425 CB ASP A 31 -11.871 13.291 -3.249 1.00 71.41 C ATOM 426 CG ASP A 31 -11.822 12.498 -4.567 1.00 3.50 C ATOM 427 OD1 ASP A 31 -12.732 12.669 -5.409 1.00 11.05 O ATOM 428 OD2 ASP A 31 -10.879 11.705 -4.770 1.00 14.42 O ATOM 0 H ASP A 31 -11.984 13.981 -0.742 1.00 24.22 H new ATOM 0 HA ASP A 31 -13.722 12.404 -2.559 1.00 24.32 H new ATOM 0 HB2 ASP A 31 -12.266 14.287 -3.448 1.00 71.41 H new ATOM 0 HB3 ASP A 31 -10.856 13.420 -2.874 1.00 71.41 H new ATOM 433 N SER A 32 -12.645 10.159 -2.244 1.00 32.23 N ATOM 434 CA SER A 32 -12.117 8.794 -1.999 1.00 63.14 C ATOM 435 C SER A 32 -11.723 8.107 -3.327 1.00 43.31 C ATOM 436 O SER A 32 -12.413 8.253 -4.342 1.00 20.11 O ATOM 437 CB SER A 32 -13.158 7.931 -1.243 1.00 12.33 C ATOM 438 OG SER A 32 -12.653 6.632 -0.953 1.00 73.42 O ATOM 0 H SER A 32 -13.462 10.176 -2.855 1.00 32.23 H new ATOM 0 HA SER A 32 -11.225 8.888 -1.380 1.00 63.14 H new ATOM 0 HB2 SER A 32 -13.438 8.428 -0.314 1.00 12.33 H new ATOM 0 HB3 SER A 32 -14.064 7.844 -1.843 1.00 12.33 H new ATOM 0 HG SER A 32 -11.697 6.692 -0.745 1.00 73.42 H new ATOM 444 N THR A 33 -10.617 7.341 -3.304 1.00 30.31 N ATOM 445 CA THR A 33 -10.108 6.599 -4.487 1.00 40.44 C ATOM 446 C THR A 33 -9.478 5.257 -4.064 1.00 22.33 C ATOM 447 O THR A 33 -8.937 5.139 -2.968 1.00 1.12 O ATOM 448 CB THR A 33 -9.056 7.439 -5.299 1.00 61.41 C ATOM 449 OG1 THR A 33 -8.659 6.722 -6.485 1.00 13.23 O ATOM 450 CG2 THR A 33 -7.802 7.782 -4.461 1.00 24.01 C ATOM 0 H THR A 33 -10.046 7.215 -2.468 1.00 30.31 H new ATOM 0 HA THR A 33 -10.965 6.409 -5.133 1.00 40.44 H new ATOM 0 HB THR A 33 -9.539 8.377 -5.572 1.00 61.41 H new ATOM 0 HG1 THR A 33 -8.005 7.254 -6.985 1.00 13.23 H new ATOM 0 HG21 THR A 33 -7.107 8.363 -5.067 1.00 24.01 H new ATOM 0 HG22 THR A 33 -8.096 8.365 -3.588 1.00 24.01 H new ATOM 0 HG23 THR A 33 -7.318 6.861 -4.136 1.00 24.01 H new ATOM 458 N THR A 34 -9.551 4.245 -4.942 1.00 34.11 N ATOM 459 CA THR A 34 -8.911 2.929 -4.705 1.00 51.31 C ATOM 460 C THR A 34 -7.612 2.826 -5.532 1.00 3.11 C ATOM 461 O THR A 34 -7.650 2.805 -6.765 1.00 31.11 O ATOM 462 CB THR A 34 -9.871 1.729 -5.040 1.00 53.01 C ATOM 463 OG1 THR A 34 -10.308 1.791 -6.414 1.00 33.23 O ATOM 464 CG2 THR A 34 -11.104 1.707 -4.109 1.00 55.44 C ATOM 0 H THR A 34 -10.049 4.308 -5.830 1.00 34.11 H new ATOM 0 HA THR A 34 -8.677 2.861 -3.643 1.00 51.31 H new ATOM 0 HB THR A 34 -9.303 0.812 -4.882 1.00 53.01 H new ATOM 0 HG1 THR A 34 -9.578 2.128 -6.974 1.00 33.23 H new ATOM 0 HG21 THR A 34 -11.743 0.864 -4.372 1.00 55.44 H new ATOM 0 HG22 THR A 34 -10.777 1.606 -3.074 1.00 55.44 H new ATOM 0 HG23 THR A 34 -11.663 2.636 -4.224 1.00 55.44 H new ATOM 472 N TYR A 35 -6.461 2.791 -4.837 1.00 23.32 N ATOM 473 CA TYR A 35 -5.137 2.631 -5.466 1.00 30.34 C ATOM 474 C TYR A 35 -4.870 1.131 -5.751 1.00 51.43 C ATOM 475 O TYR A 35 -5.054 0.292 -4.869 1.00 71.14 O ATOM 476 CB TYR A 35 -4.024 3.233 -4.549 1.00 11.42 C ATOM 477 CG TYR A 35 -2.593 2.829 -4.952 1.00 2.24 C ATOM 478 CD1 TYR A 35 -2.028 3.275 -6.150 1.00 25.44 C ATOM 479 CD2 TYR A 35 -1.836 1.952 -4.164 1.00 0.15 C ATOM 480 CE1 TYR A 35 -0.768 2.870 -6.537 1.00 51.34 C ATOM 481 CE2 TYR A 35 -0.580 1.543 -4.555 1.00 64.43 C ATOM 482 CZ TYR A 35 -0.048 2.004 -5.739 1.00 43.55 C ATOM 483 OH TYR A 35 1.204 1.590 -6.139 1.00 32.31 O ATOM 0 H TYR A 35 -6.422 2.873 -3.821 1.00 23.32 H new ATOM 0 HA TYR A 35 -5.122 3.172 -6.412 1.00 30.34 H new ATOM 0 HB2 TYR A 35 -4.102 4.320 -4.566 1.00 11.42 H new ATOM 0 HB3 TYR A 35 -4.204 2.917 -3.521 1.00 11.42 H new ATOM 0 HD1 TYR A 35 -2.587 3.948 -6.783 1.00 25.44 H new ATOM 0 HD2 TYR A 35 -2.245 1.590 -3.232 1.00 0.15 H new ATOM 0 HE1 TYR A 35 -0.345 3.230 -7.463 1.00 51.34 H new ATOM 0 HE2 TYR A 35 -0.014 0.863 -3.935 1.00 64.43 H new ATOM 0 HH TYR A 35 1.538 2.188 -6.840 1.00 32.31 H new ATOM 493 N THR A 36 -4.408 0.808 -6.974 1.00 40.34 N ATOM 494 CA THR A 36 -4.095 -0.584 -7.376 1.00 64.14 C ATOM 495 C THR A 36 -2.746 -1.063 -6.767 1.00 10.30 C ATOM 496 O THR A 36 -1.674 -0.519 -7.064 1.00 13.51 O ATOM 497 CB THR A 36 -4.083 -0.755 -8.943 1.00 62.34 C ATOM 498 OG1 THR A 36 -3.650 -2.080 -9.296 1.00 53.13 O ATOM 499 CG2 THR A 36 -3.195 0.282 -9.663 1.00 14.11 C ATOM 0 H THR A 36 -4.241 1.496 -7.709 1.00 40.34 H new ATOM 0 HA THR A 36 -4.892 -1.212 -6.978 1.00 64.14 H new ATOM 0 HB THR A 36 -5.108 -0.589 -9.276 1.00 62.34 H new ATOM 0 HG1 THR A 36 -3.648 -2.175 -10.271 1.00 53.13 H new ATOM 0 HG21 THR A 36 -3.231 0.108 -10.738 1.00 14.11 H new ATOM 0 HG22 THR A 36 -3.559 1.286 -9.445 1.00 14.11 H new ATOM 0 HG23 THR A 36 -2.167 0.185 -9.314 1.00 14.11 H new ATOM 507 N VAL A 37 -2.824 -2.059 -5.871 1.00 61.21 N ATOM 508 CA VAL A 37 -1.637 -2.701 -5.270 1.00 54.31 C ATOM 509 C VAL A 37 -1.017 -3.720 -6.258 1.00 11.13 C ATOM 510 O VAL A 37 -1.687 -4.665 -6.678 1.00 0.21 O ATOM 511 CB VAL A 37 -2.008 -3.415 -3.915 1.00 30.24 C ATOM 512 CG1 VAL A 37 -0.783 -4.116 -3.267 1.00 11.00 C ATOM 513 CG2 VAL A 37 -2.662 -2.419 -2.929 1.00 11.54 C ATOM 0 H VAL A 37 -3.709 -2.444 -5.541 1.00 61.21 H new ATOM 0 HA VAL A 37 -0.903 -1.924 -5.058 1.00 54.31 H new ATOM 0 HB VAL A 37 -2.733 -4.194 -4.150 1.00 30.24 H new ATOM 0 HG11 VAL A 37 -1.088 -4.594 -2.336 1.00 11.00 H new ATOM 0 HG12 VAL A 37 -0.391 -4.870 -3.950 1.00 11.00 H new ATOM 0 HG13 VAL A 37 -0.009 -3.377 -3.059 1.00 11.00 H new ATOM 0 HG21 VAL A 37 -2.909 -2.935 -2.001 1.00 11.54 H new ATOM 0 HG22 VAL A 37 -1.967 -1.606 -2.718 1.00 11.54 H new ATOM 0 HG23 VAL A 37 -3.571 -2.013 -3.372 1.00 11.54 H new ATOM 523 N THR A 38 0.268 -3.523 -6.615 1.00 41.34 N ATOM 524 CA THR A 38 0.981 -4.389 -7.585 1.00 43.14 C ATOM 525 C THR A 38 1.823 -5.452 -6.845 1.00 51.24 C ATOM 526 O THR A 38 2.771 -5.115 -6.128 1.00 70.42 O ATOM 527 CB THR A 38 1.902 -3.546 -8.537 1.00 64.11 C ATOM 528 OG1 THR A 38 2.777 -2.693 -7.770 1.00 33.25 O ATOM 529 CG2 THR A 38 1.073 -2.690 -9.518 1.00 20.44 C ATOM 0 H THR A 38 0.841 -2.765 -6.244 1.00 41.34 H new ATOM 0 HA THR A 38 0.228 -4.889 -8.194 1.00 43.14 H new ATOM 0 HB THR A 38 2.499 -4.249 -9.117 1.00 64.11 H new ATOM 0 HG1 THR A 38 3.082 -3.171 -6.971 1.00 33.25 H new ATOM 0 HG21 THR A 38 1.744 -2.120 -10.161 1.00 20.44 H new ATOM 0 HG22 THR A 38 0.449 -3.341 -10.131 1.00 20.44 H new ATOM 0 HG23 THR A 38 0.439 -2.004 -8.956 1.00 20.44 H new ATOM 537 N ILE A 39 1.442 -6.734 -7.007 1.00 34.32 N ATOM 538 CA ILE A 39 2.165 -7.885 -6.421 1.00 11.40 C ATOM 539 C ILE A 39 3.247 -8.405 -7.417 1.00 73.24 C ATOM 540 O ILE A 39 2.896 -8.938 -8.479 1.00 53.50 O ATOM 541 CB ILE A 39 1.170 -9.057 -6.064 1.00 5.42 C ATOM 542 CG1 ILE A 39 0.040 -8.567 -5.090 1.00 43.23 C ATOM 543 CG2 ILE A 39 1.928 -10.279 -5.478 1.00 43.33 C ATOM 544 CD1 ILE A 39 0.514 -8.092 -3.719 1.00 53.53 C ATOM 0 H ILE A 39 0.621 -7.004 -7.550 1.00 34.32 H new ATOM 0 HA ILE A 39 2.647 -7.547 -5.504 1.00 11.40 H new ATOM 0 HB ILE A 39 0.692 -9.378 -6.989 1.00 5.42 H new ATOM 0 HG12 ILE A 39 -0.501 -7.752 -5.570 1.00 43.23 H new ATOM 0 HG13 ILE A 39 -0.671 -9.381 -4.947 1.00 43.23 H new ATOM 0 HG21 ILE A 39 1.216 -11.070 -5.242 1.00 43.33 H new ATOM 0 HG22 ILE A 39 2.648 -10.646 -6.210 1.00 43.33 H new ATOM 0 HG23 ILE A 39 2.453 -9.981 -4.570 1.00 43.33 H new ATOM 0 HD11 ILE A 39 -0.345 -7.776 -3.127 1.00 53.53 H new ATOM 0 HD12 ILE A 39 1.027 -8.907 -3.209 1.00 53.53 H new ATOM 0 HD13 ILE A 39 1.199 -7.253 -3.841 1.00 53.53 H new ATOM 556 N PRO A 40 4.578 -8.252 -7.105 1.00 32.12 N ATOM 557 CA PRO A 40 5.670 -8.789 -7.962 1.00 13.50 C ATOM 558 C PRO A 40 5.802 -10.338 -7.870 1.00 62.32 C ATOM 559 O PRO A 40 5.369 -10.959 -6.885 1.00 54.44 O ATOM 560 CB PRO A 40 6.950 -8.071 -7.424 1.00 10.15 C ATOM 561 CG PRO A 40 6.447 -7.018 -6.463 1.00 31.22 C ATOM 562 CD PRO A 40 5.132 -7.542 -5.930 1.00 63.23 C ATOM 0 HA PRO A 40 5.486 -8.600 -9.020 1.00 13.50 H new ATOM 0 HB2 PRO A 40 7.614 -8.775 -6.923 1.00 10.15 H new ATOM 0 HB3 PRO A 40 7.519 -7.621 -8.237 1.00 10.15 H new ATOM 0 HG2 PRO A 40 7.159 -6.854 -5.654 1.00 31.22 H new ATOM 0 HG3 PRO A 40 6.311 -6.061 -6.967 1.00 31.22 H new ATOM 0 HD2 PRO A 40 5.274 -8.210 -5.081 1.00 63.23 H new ATOM 0 HD3 PRO A 40 4.478 -6.736 -5.596 1.00 63.23 H new ATOM 570 N ASP A 41 6.403 -10.941 -8.911 1.00 62.13 N ATOM 571 CA ASP A 41 6.667 -12.395 -8.963 1.00 34.20 C ATOM 572 C ASP A 41 7.724 -12.806 -7.907 1.00 61.20 C ATOM 573 O ASP A 41 8.814 -12.224 -7.842 1.00 10.41 O ATOM 574 CB ASP A 41 7.124 -12.805 -10.384 1.00 5.14 C ATOM 575 CG ASP A 41 6.036 -12.557 -11.438 1.00 4.22 C ATOM 576 OD1 ASP A 41 5.963 -11.436 -11.983 1.00 4.32 O ATOM 577 OD2 ASP A 41 5.235 -13.476 -11.715 1.00 52.21 O ATOM 0 H ASP A 41 6.720 -10.438 -9.740 1.00 62.13 H new ATOM 0 HA ASP A 41 5.741 -12.920 -8.730 1.00 34.20 H new ATOM 0 HB2 ASP A 41 8.020 -12.245 -10.651 1.00 5.14 H new ATOM 0 HB3 ASP A 41 7.395 -13.861 -10.386 1.00 5.14 H new ATOM 582 N GLY A 42 7.366 -13.798 -7.070 1.00 44.34 N ATOM 583 CA GLY A 42 8.208 -14.244 -5.952 1.00 74.10 C ATOM 584 C GLY A 42 7.777 -13.662 -4.600 1.00 4.12 C ATOM 585 O GLY A 42 8.243 -14.120 -3.555 1.00 50.23 O ATOM 0 H GLY A 42 6.487 -14.309 -7.152 1.00 44.34 H new ATOM 0 HA2 GLY A 42 8.181 -15.332 -5.897 1.00 74.10 H new ATOM 0 HA3 GLY A 42 9.242 -13.961 -6.149 1.00 74.10 H new ATOM 589 N TYR A 43 6.885 -12.646 -4.615 1.00 30.40 N ATOM 590 CA TYR A 43 6.355 -12.004 -3.385 1.00 32.41 C ATOM 591 C TYR A 43 4.865 -12.379 -3.163 1.00 23.13 C ATOM 592 O TYR A 43 4.078 -12.448 -4.112 1.00 1.15 O ATOM 593 CB TYR A 43 6.513 -10.463 -3.463 1.00 73.32 C ATOM 594 CG TYR A 43 7.970 -9.972 -3.573 1.00 40.13 C ATOM 595 CD1 TYR A 43 8.664 -10.026 -4.789 1.00 62.21 C ATOM 596 CD2 TYR A 43 8.656 -9.463 -2.460 1.00 31.43 C ATOM 597 CE1 TYR A 43 9.969 -9.590 -4.894 1.00 54.52 C ATOM 598 CE2 TYR A 43 9.964 -9.025 -2.565 1.00 72.40 C ATOM 599 CZ TYR A 43 10.616 -9.094 -3.782 1.00 42.22 C ATOM 600 OH TYR A 43 11.919 -8.664 -3.889 1.00 45.42 O ATOM 0 H TYR A 43 6.512 -12.247 -5.476 1.00 30.40 H new ATOM 0 HA TYR A 43 6.933 -12.373 -2.537 1.00 32.41 H new ATOM 0 HB2 TYR A 43 5.954 -10.097 -4.324 1.00 73.32 H new ATOM 0 HB3 TYR A 43 6.060 -10.019 -2.577 1.00 73.32 H new ATOM 0 HD1 TYR A 43 8.166 -10.418 -5.664 1.00 62.21 H new ATOM 0 HD2 TYR A 43 8.154 -9.412 -1.505 1.00 31.43 H new ATOM 0 HE1 TYR A 43 10.482 -9.637 -5.843 1.00 54.52 H new ATOM 0 HE2 TYR A 43 10.474 -8.630 -1.699 1.00 72.40 H new ATOM 0 HH TYR A 43 12.230 -8.342 -3.017 1.00 45.42 H new ATOM 610 N GLU A 44 4.501 -12.597 -1.893 1.00 24.51 N ATOM 611 CA GLU A 44 3.158 -13.055 -1.465 1.00 74.10 C ATOM 612 C GLU A 44 2.545 -12.045 -0.477 1.00 32.34 C ATOM 613 O GLU A 44 3.237 -11.582 0.429 1.00 64.02 O ATOM 614 CB GLU A 44 3.277 -14.447 -0.782 1.00 73.22 C ATOM 615 CG GLU A 44 3.755 -15.595 -1.696 1.00 11.14 C ATOM 616 CD GLU A 44 2.767 -15.910 -2.838 1.00 34.13 C ATOM 617 OE1 GLU A 44 1.690 -16.477 -2.556 1.00 54.20 O ATOM 618 OE2 GLU A 44 3.057 -15.588 -4.013 1.00 42.33 O ATOM 0 H GLU A 44 5.141 -12.459 -1.111 1.00 24.51 H new ATOM 0 HA GLU A 44 2.512 -13.132 -2.340 1.00 74.10 H new ATOM 0 HB2 GLU A 44 3.967 -14.363 0.058 1.00 73.22 H new ATOM 0 HB3 GLU A 44 2.304 -14.715 -0.370 1.00 73.22 H new ATOM 0 HG2 GLU A 44 4.723 -15.333 -2.123 1.00 11.14 H new ATOM 0 HG3 GLU A 44 3.904 -16.492 -1.095 1.00 11.14 H new ATOM 625 N TYR A 45 1.252 -11.724 -0.648 1.00 44.11 N ATOM 626 CA TYR A 45 0.546 -10.758 0.220 1.00 24.30 C ATOM 627 C TYR A 45 0.401 -11.295 1.675 1.00 34.14 C ATOM 628 O TYR A 45 -0.304 -12.280 1.914 1.00 65.40 O ATOM 629 CB TYR A 45 -0.846 -10.399 -0.380 1.00 55.31 C ATOM 630 CG TYR A 45 -1.664 -9.455 0.516 1.00 75.22 C ATOM 631 CD1 TYR A 45 -1.249 -8.135 0.727 1.00 41.51 C ATOM 632 CD2 TYR A 45 -2.797 -9.904 1.208 1.00 43.12 C ATOM 633 CE1 TYR A 45 -1.940 -7.302 1.572 1.00 64.21 C ATOM 634 CE2 TYR A 45 -3.480 -9.074 2.066 1.00 14.43 C ATOM 635 CZ TYR A 45 -3.049 -7.777 2.245 1.00 63.11 C ATOM 636 OH TYR A 45 -3.707 -6.961 3.129 1.00 24.14 O ATOM 0 H TYR A 45 0.668 -12.121 -1.384 1.00 44.11 H new ATOM 0 HA TYR A 45 1.148 -9.850 0.265 1.00 24.30 H new ATOM 0 HB2 TYR A 45 -0.705 -9.933 -1.355 1.00 55.31 H new ATOM 0 HB3 TYR A 45 -1.412 -11.316 -0.543 1.00 55.31 H new ATOM 0 HD1 TYR A 45 -0.371 -7.766 0.217 1.00 41.51 H new ATOM 0 HD2 TYR A 45 -3.139 -10.918 1.065 1.00 43.12 H new ATOM 0 HE1 TYR A 45 -1.618 -6.280 1.710 1.00 64.21 H new ATOM 0 HE2 TYR A 45 -4.348 -9.436 2.596 1.00 14.43 H new ATOM 0 HH TYR A 45 -4.466 -7.444 3.518 1.00 24.14 H new ATOM 646 N VAL A 46 1.081 -10.635 2.634 1.00 51.05 N ATOM 647 CA VAL A 46 1.008 -10.982 4.073 1.00 21.41 C ATOM 648 C VAL A 46 -0.162 -10.239 4.752 1.00 23.21 C ATOM 649 O VAL A 46 -1.098 -10.856 5.280 1.00 73.44 O ATOM 650 CB VAL A 46 2.353 -10.624 4.819 1.00 5.32 C ATOM 651 CG1 VAL A 46 2.282 -10.913 6.344 1.00 13.24 C ATOM 652 CG2 VAL A 46 3.541 -11.356 4.174 1.00 53.21 C ATOM 0 H VAL A 46 1.697 -9.846 2.436 1.00 51.05 H new ATOM 0 HA VAL A 46 0.845 -12.058 4.140 1.00 21.41 H new ATOM 0 HB VAL A 46 2.504 -9.550 4.711 1.00 5.32 H new ATOM 0 HG11 VAL A 46 3.232 -10.649 6.809 1.00 13.24 H new ATOM 0 HG12 VAL A 46 1.483 -10.320 6.790 1.00 13.24 H new ATOM 0 HG13 VAL A 46 2.081 -11.972 6.505 1.00 13.24 H new ATOM 0 HG21 VAL A 46 4.459 -11.096 4.702 1.00 53.21 H new ATOM 0 HG22 VAL A 46 3.381 -12.433 4.233 1.00 53.21 H new ATOM 0 HG23 VAL A 46 3.627 -11.059 3.129 1.00 53.21 H new ATOM 662 N GLY A 47 -0.087 -8.900 4.710 1.00 11.14 N ATOM 663 CA GLY A 47 -1.047 -8.026 5.395 1.00 73.11 C ATOM 664 C GLY A 47 -0.833 -6.550 5.067 1.00 74.31 C ATOM 665 O GLY A 47 0.025 -6.204 4.245 1.00 40.14 O ATOM 0 H GLY A 47 0.639 -8.395 4.201 1.00 11.14 H new ATOM 0 HA2 GLY A 47 -2.060 -8.314 5.114 1.00 73.11 H new ATOM 0 HA3 GLY A 47 -0.961 -8.171 6.472 1.00 73.11 H new ATOM 669 N THR A 48 -1.625 -5.673 5.700 1.00 61.31 N ATOM 670 CA THR A 48 -1.576 -4.214 5.454 1.00 55.34 C ATOM 671 C THR A 48 -1.980 -3.429 6.714 1.00 74.51 C ATOM 672 O THR A 48 -2.914 -3.818 7.429 1.00 1.32 O ATOM 673 CB THR A 48 -2.506 -3.801 4.255 1.00 23.13 C ATOM 674 OG1 THR A 48 -2.071 -4.441 3.040 1.00 31.41 O ATOM 675 CG2 THR A 48 -2.561 -2.281 4.026 1.00 4.51 C ATOM 0 H THR A 48 -2.318 -5.948 6.396 1.00 61.31 H new ATOM 0 HA THR A 48 -0.546 -3.967 5.195 1.00 55.34 H new ATOM 0 HB THR A 48 -3.510 -4.130 4.524 1.00 23.13 H new ATOM 0 HG1 THR A 48 -2.476 -5.331 2.976 1.00 31.41 H new ATOM 0 HG21 THR A 48 -3.219 -2.063 3.185 1.00 4.51 H new ATOM 0 HG22 THR A 48 -2.943 -1.792 4.922 1.00 4.51 H new ATOM 0 HG23 THR A 48 -1.560 -1.909 3.808 1.00 4.51 H new ATOM 683 N ASP A 49 -1.267 -2.326 6.975 1.00 52.32 N ATOM 684 CA ASP A 49 -1.579 -1.390 8.071 1.00 25.21 C ATOM 685 C ASP A 49 -1.942 0.005 7.506 1.00 62.12 C ATOM 686 O ASP A 49 -1.450 0.404 6.441 1.00 34.21 O ATOM 687 CB ASP A 49 -0.399 -1.328 9.067 1.00 20.33 C ATOM 688 CG ASP A 49 0.941 -0.978 8.418 1.00 72.11 C ATOM 689 OD1 ASP A 49 1.591 -1.890 7.865 1.00 4.23 O ATOM 690 OD2 ASP A 49 1.359 0.199 8.477 1.00 34.15 O ATOM 0 H ASP A 49 -0.450 -2.053 6.429 1.00 52.32 H new ATOM 0 HA ASP A 49 -2.451 -1.751 8.617 1.00 25.21 H new ATOM 0 HB2 ASP A 49 -0.624 -0.589 9.836 1.00 20.33 H new ATOM 0 HB3 ASP A 49 -0.308 -2.292 9.568 1.00 20.33 H new ATOM 695 N GLY A 50 -2.801 0.736 8.236 1.00 31.12 N ATOM 696 CA GLY A 50 -3.361 2.002 7.749 1.00 74.45 C ATOM 697 C GLY A 50 -4.638 1.810 6.931 1.00 31.10 C ATOM 698 O GLY A 50 -5.425 0.903 7.239 1.00 34.23 O ATOM 0 H GLY A 50 -3.121 0.469 9.167 1.00 31.12 H new ATOM 0 HA2 GLY A 50 -3.574 2.651 8.599 1.00 74.45 H new ATOM 0 HA3 GLY A 50 -2.617 2.512 7.137 1.00 74.45 H new ATOM 702 N GLY A 51 -4.878 2.732 5.958 1.00 33.01 N ATOM 703 CA GLY A 51 -5.962 2.624 4.937 1.00 65.33 C ATOM 704 C GLY A 51 -6.425 1.207 4.511 1.00 60.41 C ATOM 705 O GLY A 51 -5.651 0.241 4.516 1.00 43.23 O ATOM 0 H GLY A 51 -4.320 3.580 5.858 1.00 33.01 H new ATOM 0 HA2 GLY A 51 -6.832 3.159 5.317 1.00 65.33 H new ATOM 0 HA3 GLY A 51 -5.630 3.150 4.042 1.00 65.33 H new ATOM 709 N VAL A 52 -7.680 1.139 4.028 1.00 31.14 N ATOM 710 CA VAL A 52 -8.463 -0.120 3.939 1.00 75.21 C ATOM 711 C VAL A 52 -8.013 -0.984 2.747 1.00 3.45 C ATOM 712 O VAL A 52 -8.082 -0.547 1.613 1.00 62.32 O ATOM 713 CB VAL A 52 -10.009 0.194 3.812 1.00 64.14 C ATOM 714 CG1 VAL A 52 -10.869 -1.096 3.698 1.00 33.01 C ATOM 715 CG2 VAL A 52 -10.484 1.074 4.992 1.00 24.43 C ATOM 0 H VAL A 52 -8.186 1.956 3.686 1.00 31.14 H new ATOM 0 HA VAL A 52 -8.281 -0.680 4.856 1.00 75.21 H new ATOM 0 HB VAL A 52 -10.150 0.748 2.884 1.00 64.14 H new ATOM 0 HG11 VAL A 52 -11.921 -0.825 3.613 1.00 33.01 H new ATOM 0 HG12 VAL A 52 -10.567 -1.658 2.814 1.00 33.01 H new ATOM 0 HG13 VAL A 52 -10.723 -1.710 4.586 1.00 33.01 H new ATOM 0 HG21 VAL A 52 -11.549 1.279 4.887 1.00 24.43 H new ATOM 0 HG22 VAL A 52 -10.306 0.550 5.931 1.00 24.43 H new ATOM 0 HG23 VAL A 52 -9.932 2.014 4.990 1.00 24.43 H new ATOM 725 N VAL A 53 -7.569 -2.214 3.011 1.00 11.30 N ATOM 726 CA VAL A 53 -7.081 -3.134 1.961 1.00 41.43 C ATOM 727 C VAL A 53 -8.181 -4.146 1.511 1.00 31.41 C ATOM 728 O VAL A 53 -9.130 -4.435 2.255 1.00 65.31 O ATOM 729 CB VAL A 53 -5.795 -3.885 2.454 1.00 73.44 C ATOM 730 CG1 VAL A 53 -6.105 -4.867 3.609 1.00 44.20 C ATOM 731 CG2 VAL A 53 -5.049 -4.576 1.284 1.00 45.30 C ATOM 0 H VAL A 53 -7.534 -2.607 3.952 1.00 11.30 H new ATOM 0 HA VAL A 53 -6.826 -2.534 1.087 1.00 41.43 H new ATOM 0 HB VAL A 53 -5.120 -3.131 2.858 1.00 73.44 H new ATOM 0 HG11 VAL A 53 -5.187 -5.365 3.919 1.00 44.20 H new ATOM 0 HG12 VAL A 53 -6.522 -4.317 4.452 1.00 44.20 H new ATOM 0 HG13 VAL A 53 -6.825 -5.612 3.270 1.00 44.20 H new ATOM 0 HG21 VAL A 53 -4.164 -5.085 1.667 1.00 45.30 H new ATOM 0 HG22 VAL A 53 -5.709 -5.302 0.810 1.00 45.30 H new ATOM 0 HG23 VAL A 53 -4.748 -3.827 0.551 1.00 45.30 H new ATOM 741 N SER A 54 -8.038 -4.655 0.275 1.00 3.21 N ATOM 742 CA SER A 54 -8.915 -5.705 -0.303 1.00 61.22 C ATOM 743 C SER A 54 -8.684 -7.102 0.343 1.00 20.02 C ATOM 744 O SER A 54 -7.657 -7.335 0.992 1.00 75.11 O ATOM 745 CB SER A 54 -8.662 -5.790 -1.831 1.00 41.12 C ATOM 746 OG SER A 54 -9.384 -6.855 -2.442 1.00 73.24 O ATOM 0 H SER A 54 -7.303 -4.350 -0.363 1.00 3.21 H new ATOM 0 HA SER A 54 -9.948 -5.424 -0.096 1.00 61.22 H new ATOM 0 HB2 SER A 54 -8.947 -4.847 -2.297 1.00 41.12 H new ATOM 0 HB3 SER A 54 -7.596 -5.926 -2.013 1.00 41.12 H new ATOM 0 HG SER A 54 -9.868 -6.516 -3.224 1.00 73.24 H new ATOM 752 N SER A 55 -9.641 -8.029 0.110 1.00 41.11 N ATOM 753 CA SER A 55 -9.568 -9.448 0.566 1.00 12.22 C ATOM 754 C SER A 55 -8.356 -10.194 -0.052 1.00 52.21 C ATOM 755 O SER A 55 -7.778 -11.094 0.569 1.00 60.34 O ATOM 756 CB SER A 55 -10.880 -10.184 0.181 1.00 34.32 C ATOM 757 OG SER A 55 -11.104 -10.149 -1.224 1.00 44.40 O ATOM 0 H SER A 55 -10.496 -7.817 -0.404 1.00 41.11 H new ATOM 0 HA SER A 55 -9.440 -9.444 1.648 1.00 12.22 H new ATOM 0 HB2 SER A 55 -10.830 -11.220 0.517 1.00 34.32 H new ATOM 0 HB3 SER A 55 -11.722 -9.722 0.697 1.00 34.32 H new ATOM 0 HG SER A 55 -11.936 -10.622 -1.434 1.00 44.40 H new ATOM 763 N ASP A 56 -8.000 -9.804 -1.288 1.00 1.30 N ATOM 764 CA ASP A 56 -6.840 -10.356 -2.027 1.00 31.33 C ATOM 765 C ASP A 56 -5.590 -9.456 -1.870 1.00 25.20 C ATOM 766 O ASP A 56 -4.466 -9.879 -2.167 1.00 63.44 O ATOM 767 CB ASP A 56 -7.206 -10.492 -3.524 1.00 14.21 C ATOM 768 CG ASP A 56 -8.426 -11.395 -3.749 1.00 23.21 C ATOM 769 OD1 ASP A 56 -9.569 -10.894 -3.704 1.00 20.32 O ATOM 770 OD2 ASP A 56 -8.246 -12.615 -3.947 1.00 1.24 O ATOM 0 H ASP A 56 -8.510 -9.092 -1.811 1.00 1.30 H new ATOM 0 HA ASP A 56 -6.600 -11.335 -1.611 1.00 31.33 H new ATOM 0 HB2 ASP A 56 -7.408 -9.504 -3.937 1.00 14.21 H new ATOM 0 HB3 ASP A 56 -6.353 -10.897 -4.068 1.00 14.21 H new ATOM 775 N GLY A 57 -5.804 -8.220 -1.379 1.00 73.45 N ATOM 776 CA GLY A 57 -4.765 -7.190 -1.389 1.00 30.42 C ATOM 777 C GLY A 57 -4.483 -6.652 -2.797 1.00 0.52 C ATOM 778 O GLY A 57 -3.341 -6.339 -3.130 1.00 20.44 O ATOM 0 H GLY A 57 -6.689 -7.917 -0.972 1.00 73.45 H new ATOM 0 HA2 GLY A 57 -5.069 -6.366 -0.743 1.00 30.42 H new ATOM 0 HA3 GLY A 57 -3.847 -7.601 -0.970 1.00 30.42 H new ATOM 782 N LYS A 58 -5.551 -6.548 -3.627 1.00 23.31 N ATOM 783 CA LYS A 58 -5.446 -6.036 -5.020 1.00 63.42 C ATOM 784 C LYS A 58 -5.576 -4.495 -5.078 1.00 22.14 C ATOM 785 O LYS A 58 -5.055 -3.857 -5.997 1.00 14.44 O ATOM 786 CB LYS A 58 -6.514 -6.700 -5.941 1.00 60.14 C ATOM 787 CG LYS A 58 -7.989 -6.418 -5.562 1.00 43.53 C ATOM 788 CD LYS A 58 -9.024 -7.078 -6.517 1.00 54.35 C ATOM 789 CE LYS A 58 -9.128 -8.621 -6.382 1.00 5.34 C ATOM 790 NZ LYS A 58 -7.920 -9.356 -6.870 1.00 60.34 N ATOM 0 H LYS A 58 -6.498 -6.812 -3.356 1.00 23.31 H new ATOM 0 HA LYS A 58 -4.454 -6.303 -5.384 1.00 63.42 H new ATOM 0 HB2 LYS A 58 -6.348 -6.360 -6.963 1.00 60.14 H new ATOM 0 HB3 LYS A 58 -6.355 -7.778 -5.934 1.00 60.14 H new ATOM 0 HG2 LYS A 58 -8.167 -6.774 -4.547 1.00 43.53 H new ATOM 0 HG3 LYS A 58 -8.152 -5.340 -5.555 1.00 43.53 H new ATOM 0 HD2 LYS A 58 -10.005 -6.642 -6.327 1.00 54.35 H new ATOM 0 HD3 LYS A 58 -8.759 -6.832 -7.545 1.00 54.35 H new ATOM 0 HE2 LYS A 58 -9.296 -8.874 -5.335 1.00 5.34 H new ATOM 0 HE3 LYS A 58 -10.000 -8.966 -6.937 1.00 5.34 H new ATOM 0 HZ1 LYS A 58 -8.218 -10.204 -7.394 1.00 60.34 H new ATOM 0 HZ2 LYS A 58 -7.367 -8.738 -7.497 1.00 60.34 H new ATOM 0 HZ3 LYS A 58 -7.334 -9.638 -6.058 1.00 60.34 H new ATOM 804 N THR A 59 -6.297 -3.913 -4.099 1.00 41.42 N ATOM 805 CA THR A 59 -6.526 -2.449 -3.992 1.00 41.02 C ATOM 806 C THR A 59 -6.513 -1.984 -2.518 1.00 21.31 C ATOM 807 O THR A 59 -6.694 -2.788 -1.592 1.00 43.41 O ATOM 808 CB THR A 59 -7.892 -2.001 -4.649 1.00 32.33 C ATOM 809 OG1 THR A 59 -8.966 -2.841 -4.176 1.00 0.12 O ATOM 810 CG2 THR A 59 -7.845 -2.025 -6.190 1.00 21.43 C ATOM 0 H THR A 59 -6.742 -4.446 -3.352 1.00 41.42 H new ATOM 0 HA THR A 59 -5.706 -1.980 -4.536 1.00 41.02 H new ATOM 0 HB THR A 59 -8.068 -0.968 -4.349 1.00 32.33 H new ATOM 0 HG1 THR A 59 -9.809 -2.556 -4.586 1.00 0.12 H new ATOM 0 HG21 THR A 59 -8.809 -1.709 -6.588 1.00 21.43 H new ATOM 0 HG22 THR A 59 -7.067 -1.347 -6.541 1.00 21.43 H new ATOM 0 HG23 THR A 59 -7.626 -3.037 -6.532 1.00 21.43 H new ATOM 818 N VAL A 60 -6.260 -0.673 -2.326 1.00 45.04 N ATOM 819 CA VAL A 60 -6.398 0.025 -1.026 1.00 75.13 C ATOM 820 C VAL A 60 -7.260 1.308 -1.194 1.00 13.20 C ATOM 821 O VAL A 60 -6.970 2.151 -2.041 1.00 21.13 O ATOM 822 CB VAL A 60 -4.992 0.366 -0.374 1.00 10.12 C ATOM 823 CG1 VAL A 60 -4.299 -0.911 0.162 1.00 2.51 C ATOM 824 CG2 VAL A 60 -4.062 1.112 -1.360 1.00 23.03 C ATOM 0 H VAL A 60 -5.950 -0.059 -3.079 1.00 45.04 H new ATOM 0 HA VAL A 60 -6.905 -0.654 -0.340 1.00 75.13 H new ATOM 0 HB VAL A 60 -5.187 1.033 0.466 1.00 10.12 H new ATOM 0 HG11 VAL A 60 -3.338 -0.646 0.603 1.00 2.51 H new ATOM 0 HG12 VAL A 60 -4.930 -1.377 0.919 1.00 2.51 H new ATOM 0 HG13 VAL A 60 -4.141 -1.611 -0.659 1.00 2.51 H new ATOM 0 HG21 VAL A 60 -3.111 1.326 -0.872 1.00 23.03 H new ATOM 0 HG22 VAL A 60 -3.888 0.490 -2.238 1.00 23.03 H new ATOM 0 HG23 VAL A 60 -4.531 2.047 -1.666 1.00 23.03 H new ATOM 834 N THR A 61 -8.338 1.435 -0.393 1.00 5.22 N ATOM 835 CA THR A 61 -9.247 2.596 -0.416 1.00 4.33 C ATOM 836 C THR A 61 -8.650 3.739 0.429 1.00 13.53 C ATOM 837 O THR A 61 -8.262 3.533 1.587 1.00 70.12 O ATOM 838 CB THR A 61 -10.670 2.221 0.126 1.00 73.55 C ATOM 839 OG1 THR A 61 -11.188 1.100 -0.611 1.00 44.41 O ATOM 840 CG2 THR A 61 -11.670 3.397 0.020 1.00 41.24 C ATOM 0 H THR A 61 -8.603 0.728 0.293 1.00 5.22 H new ATOM 0 HA THR A 61 -9.357 2.920 -1.451 1.00 4.33 H new ATOM 0 HB THR A 61 -10.557 1.971 1.181 1.00 73.55 H new ATOM 0 HG1 THR A 61 -12.076 0.866 -0.270 1.00 44.41 H new ATOM 0 HG21 THR A 61 -12.640 3.086 0.408 1.00 41.24 H new ATOM 0 HG22 THR A 61 -11.301 4.242 0.601 1.00 41.24 H new ATOM 0 HG23 THR A 61 -11.775 3.693 -1.024 1.00 41.24 H new ATOM 848 N ILE A 62 -8.583 4.933 -0.168 1.00 3.42 N ATOM 849 CA ILE A 62 -7.877 6.103 0.387 1.00 63.41 C ATOM 850 C ILE A 62 -8.823 7.327 0.518 1.00 52.12 C ATOM 851 O ILE A 62 -9.597 7.624 -0.391 1.00 50.43 O ATOM 852 CB ILE A 62 -6.657 6.495 -0.546 1.00 52.53 C ATOM 853 CG1 ILE A 62 -5.642 5.306 -0.708 1.00 2.31 C ATOM 854 CG2 ILE A 62 -5.936 7.765 -0.038 1.00 31.24 C ATOM 855 CD1 ILE A 62 -4.967 4.849 0.579 1.00 2.11 C ATOM 0 H ILE A 62 -9.025 5.122 -1.068 1.00 3.42 H new ATOM 0 HA ILE A 62 -7.518 5.830 1.379 1.00 63.41 H new ATOM 0 HB ILE A 62 -7.071 6.716 -1.530 1.00 52.53 H new ATOM 0 HG12 ILE A 62 -6.168 4.457 -1.145 1.00 2.31 H new ATOM 0 HG13 ILE A 62 -4.870 5.602 -1.419 1.00 2.31 H new ATOM 0 HG21 ILE A 62 -5.106 8.003 -0.703 1.00 31.24 H new ATOM 0 HG22 ILE A 62 -6.637 8.599 -0.021 1.00 31.24 H new ATOM 0 HG23 ILE A 62 -5.556 7.590 0.969 1.00 31.24 H new ATOM 0 HD11 ILE A 62 -4.287 4.026 0.361 1.00 2.11 H new ATOM 0 HD12 ILE A 62 -4.406 5.678 1.010 1.00 2.11 H new ATOM 0 HD13 ILE A 62 -5.724 4.515 1.288 1.00 2.11 H new ATOM 867 N THR A 63 -8.732 8.020 1.664 1.00 12.13 N ATOM 868 CA THR A 63 -9.287 9.381 1.874 1.00 34.41 C ATOM 869 C THR A 63 -8.133 10.282 2.361 1.00 54.40 C ATOM 870 O THR A 63 -7.585 10.070 3.447 1.00 55.13 O ATOM 871 CB THR A 63 -10.481 9.415 2.901 1.00 33.30 C ATOM 872 OG1 THR A 63 -10.177 8.623 4.063 1.00 20.34 O ATOM 873 CG2 THR A 63 -11.801 8.935 2.275 1.00 3.42 C ATOM 0 H THR A 63 -8.263 7.650 2.491 1.00 12.13 H new ATOM 0 HA THR A 63 -9.702 9.736 0.931 1.00 34.41 H new ATOM 0 HB THR A 63 -10.612 10.456 3.197 1.00 33.30 H new ATOM 0 HG1 THR A 63 -9.248 8.780 4.332 1.00 20.34 H new ATOM 0 HG21 THR A 63 -12.594 8.977 3.022 1.00 3.42 H new ATOM 0 HG22 THR A 63 -12.060 9.578 1.434 1.00 3.42 H new ATOM 0 HG23 THR A 63 -11.686 7.909 1.925 1.00 3.42 H new ATOM 881 N PHE A 64 -7.771 11.274 1.532 1.00 61.54 N ATOM 882 CA PHE A 64 -6.538 12.088 1.704 1.00 63.44 C ATOM 883 C PHE A 64 -6.648 12.971 2.971 1.00 53.14 C ATOM 884 O PHE A 64 -7.449 13.902 3.002 1.00 31.42 O ATOM 885 CB PHE A 64 -6.320 12.986 0.450 1.00 14.03 C ATOM 886 CG PHE A 64 -6.625 12.308 -0.888 1.00 25.41 C ATOM 887 CD1 PHE A 64 -5.678 11.524 -1.537 1.00 75.04 C ATOM 888 CD2 PHE A 64 -7.876 12.465 -1.499 1.00 14.31 C ATOM 889 CE1 PHE A 64 -5.972 10.918 -2.744 1.00 31.33 C ATOM 890 CE2 PHE A 64 -8.165 11.859 -2.696 1.00 51.24 C ATOM 891 CZ PHE A 64 -7.214 11.092 -3.325 1.00 4.14 C ATOM 0 H PHE A 64 -8.322 11.542 0.717 1.00 61.54 H new ATOM 0 HA PHE A 64 -5.687 11.417 1.819 1.00 63.44 H new ATOM 0 HB2 PHE A 64 -6.947 13.873 0.543 1.00 14.03 H new ATOM 0 HB3 PHE A 64 -5.285 13.327 0.441 1.00 14.03 H new ATOM 0 HD1 PHE A 64 -4.703 11.387 -1.094 1.00 75.04 H new ATOM 0 HD2 PHE A 64 -8.627 13.075 -1.019 1.00 14.31 H new ATOM 0 HE1 PHE A 64 -5.229 10.307 -3.235 1.00 31.33 H new ATOM 0 HE2 PHE A 64 -9.140 11.985 -3.144 1.00 51.24 H new ATOM 0 HZ PHE A 64 -7.437 10.625 -4.273 1.00 4.14 H new ATOM 901 N ALA A 65 -5.828 12.710 4.003 1.00 11.25 N ATOM 902 CA ALA A 65 -6.023 13.344 5.329 1.00 51.43 C ATOM 903 C ALA A 65 -4.706 13.661 6.049 1.00 1.02 C ATOM 904 O ALA A 65 -3.728 12.911 5.950 1.00 12.03 O ATOM 905 CB ALA A 65 -6.893 12.440 6.213 1.00 13.15 C ATOM 0 H ALA A 65 -5.032 12.074 3.952 1.00 11.25 H new ATOM 0 HA ALA A 65 -6.521 14.297 5.151 1.00 51.43 H new ATOM 0 HB1 ALA A 65 -7.034 12.910 7.186 1.00 13.15 H new ATOM 0 HB2 ALA A 65 -7.863 12.291 5.738 1.00 13.15 H new ATOM 0 HB3 ALA A 65 -6.401 11.476 6.343 1.00 13.15 H new ATOM 911 N ALA A 66 -4.731 14.772 6.813 1.00 51.55 N ATOM 912 CA ALA A 66 -3.667 15.134 7.774 1.00 21.11 C ATOM 913 C ALA A 66 -3.760 14.292 9.082 1.00 11.15 C ATOM 914 O ALA A 66 -2.985 14.501 10.016 1.00 43.24 O ATOM 915 CB ALA A 66 -3.737 16.644 8.069 1.00 45.13 C ATOM 0 H ALA A 66 -5.494 15.448 6.781 1.00 51.55 H new ATOM 0 HA ALA A 66 -2.700 14.905 7.327 1.00 21.11 H new ATOM 0 HB1 ALA A 66 -2.953 16.913 8.777 1.00 45.13 H new ATOM 0 HB2 ALA A 66 -3.597 17.202 7.143 1.00 45.13 H new ATOM 0 HB3 ALA A 66 -4.710 16.887 8.495 1.00 45.13 H new ATOM 921 N ASP A 67 -4.741 13.364 9.126 1.00 52.31 N ATOM 922 CA ASP A 67 -4.894 12.348 10.190 1.00 3.04 C ATOM 923 C ASP A 67 -3.826 11.227 10.051 1.00 31.32 C ATOM 924 O ASP A 67 -3.431 10.612 11.045 1.00 1.23 O ATOM 925 CB ASP A 67 -6.335 11.771 10.117 1.00 43.21 C ATOM 926 CG ASP A 67 -6.664 10.808 11.262 1.00 61.33 C ATOM 927 OD1 ASP A 67 -6.944 11.274 12.390 1.00 12.23 O ATOM 928 OD2 ASP A 67 -6.639 9.584 11.045 1.00 0.42 O ATOM 0 H ASP A 67 -5.463 13.299 8.408 1.00 52.31 H new ATOM 0 HA ASP A 67 -4.738 12.810 11.165 1.00 3.04 H new ATOM 0 HB2 ASP A 67 -7.049 12.594 10.128 1.00 43.21 H new ATOM 0 HB3 ASP A 67 -6.463 11.251 9.167 1.00 43.21 H new ATOM 933 N ASP A 68 -3.398 10.972 8.790 1.00 25.51 N ATOM 934 CA ASP A 68 -2.266 10.065 8.431 1.00 55.14 C ATOM 935 C ASP A 68 -2.537 8.543 8.642 1.00 32.41 C ATOM 936 O ASP A 68 -1.606 7.738 8.514 1.00 21.25 O ATOM 937 CB ASP A 68 -0.954 10.495 9.150 1.00 62.44 C ATOM 938 CG ASP A 68 -0.458 11.880 8.708 1.00 63.03 C ATOM 939 OD1 ASP A 68 0.058 11.998 7.570 1.00 61.24 O ATOM 940 OD2 ASP A 68 -0.570 12.848 9.483 1.00 10.22 O ATOM 0 H ASP A 68 -3.836 11.397 7.973 1.00 25.51 H new ATOM 0 HA ASP A 68 -2.152 10.184 7.353 1.00 55.14 H new ATOM 0 HB2 ASP A 68 -1.121 10.501 10.227 1.00 62.44 H new ATOM 0 HB3 ASP A 68 -0.178 9.756 8.952 1.00 62.44 H new ATOM 945 N SER A 69 -3.793 8.140 8.936 1.00 13.32 N ATOM 946 CA SER A 69 -4.165 6.692 8.993 1.00 54.23 C ATOM 947 C SER A 69 -4.046 6.031 7.592 1.00 62.11 C ATOM 948 O SER A 69 -3.246 5.113 7.401 1.00 21.10 O ATOM 949 CB SER A 69 -5.591 6.499 9.577 1.00 54.24 C ATOM 950 OG SER A 69 -5.637 6.867 10.950 1.00 12.01 O ATOM 0 H SER A 69 -4.562 8.779 9.136 1.00 13.32 H new ATOM 0 HA SER A 69 -3.462 6.196 9.662 1.00 54.23 H new ATOM 0 HB2 SER A 69 -6.303 7.101 9.012 1.00 54.24 H new ATOM 0 HB3 SER A 69 -5.895 5.458 9.466 1.00 54.24 H new ATOM 0 HG SER A 69 -5.970 7.785 11.032 1.00 12.01 H new ATOM 956 N ASP A 70 -4.905 6.476 6.657 1.00 70.11 N ATOM 957 CA ASP A 70 -4.789 6.258 5.170 1.00 73.31 C ATOM 958 C ASP A 70 -3.351 6.217 4.532 1.00 40.25 C ATOM 959 O ASP A 70 -3.230 5.898 3.340 1.00 13.11 O ATOM 960 CB ASP A 70 -5.677 7.293 4.430 1.00 20.33 C ATOM 961 CG ASP A 70 -7.151 7.163 4.831 1.00 63.50 C ATOM 962 OD1 ASP A 70 -7.550 7.732 5.869 1.00 43.40 O ATOM 963 OD2 ASP A 70 -7.907 6.458 4.127 1.00 15.43 O ATOM 0 H ASP A 70 -5.733 7.017 6.905 1.00 70.11 H new ATOM 0 HA ASP A 70 -5.134 5.233 5.034 1.00 73.31 H new ATOM 0 HB2 ASP A 70 -5.326 8.300 4.654 1.00 20.33 H new ATOM 0 HB3 ASP A 70 -5.579 7.153 3.353 1.00 20.33 H new ATOM 968 N ASN A 71 -2.271 6.530 5.290 1.00 41.52 N ATOM 969 CA ASN A 71 -0.896 6.171 4.883 1.00 14.31 C ATOM 970 C ASN A 71 -0.726 4.627 4.986 1.00 2.22 C ATOM 971 O ASN A 71 -0.527 4.081 6.074 1.00 42.13 O ATOM 972 CB ASN A 71 0.173 6.892 5.753 1.00 1.54 C ATOM 973 CG ASN A 71 0.136 8.417 5.641 1.00 24.45 C ATOM 974 OD1 ASN A 71 -0.303 8.980 4.650 1.00 32.21 O ATOM 975 ND2 ASN A 71 0.636 9.097 6.644 1.00 14.52 N ATOM 0 H ASN A 71 -2.328 7.026 6.179 1.00 41.52 H new ATOM 0 HA ASN A 71 -0.743 6.497 3.854 1.00 14.31 H new ATOM 0 HB2 ASN A 71 0.029 6.610 6.796 1.00 1.54 H new ATOM 0 HB3 ASN A 71 1.162 6.540 5.462 1.00 1.54 H new ATOM 0 HD21 ASN A 71 0.664 10.116 6.606 1.00 14.52 H new ATOM 0 HD22 ASN A 71 0.997 8.607 7.462 1.00 14.52 H new ATOM 982 N VAL A 72 -0.828 3.939 3.841 1.00 73.23 N ATOM 983 CA VAL A 72 -0.820 2.461 3.756 1.00 2.42 C ATOM 984 C VAL A 72 0.624 1.899 3.713 1.00 11.04 C ATOM 985 O VAL A 72 1.517 2.519 3.139 1.00 2.01 O ATOM 986 CB VAL A 72 -1.617 2.019 2.466 1.00 22.10 C ATOM 987 CG1 VAL A 72 -1.445 0.522 2.129 1.00 52.33 C ATOM 988 CG2 VAL A 72 -3.113 2.384 2.598 1.00 53.44 C ATOM 0 H VAL A 72 -0.920 4.393 2.932 1.00 73.23 H new ATOM 0 HA VAL A 72 -1.298 2.057 4.649 1.00 2.42 H new ATOM 0 HB VAL A 72 -1.187 2.573 1.631 1.00 22.10 H new ATOM 0 HG11 VAL A 72 -2.017 0.283 1.233 1.00 52.33 H new ATOM 0 HG12 VAL A 72 -0.391 0.307 1.954 1.00 52.33 H new ATOM 0 HG13 VAL A 72 -1.805 -0.082 2.962 1.00 52.33 H new ATOM 0 HG21 VAL A 72 -3.644 2.071 1.699 1.00 53.44 H new ATOM 0 HG22 VAL A 72 -3.536 1.877 3.465 1.00 53.44 H new ATOM 0 HG23 VAL A 72 -3.215 3.462 2.723 1.00 53.44 H new ATOM 998 N VAL A 73 0.849 0.734 4.354 1.00 64.03 N ATOM 999 CA VAL A 73 2.088 -0.066 4.180 1.00 0.41 C ATOM 1000 C VAL A 73 1.716 -1.528 3.808 1.00 71.43 C ATOM 1001 O VAL A 73 1.037 -2.220 4.576 1.00 62.23 O ATOM 1002 CB VAL A 73 3.005 -0.036 5.466 1.00 72.52 C ATOM 1003 CG1 VAL A 73 4.254 -0.946 5.306 1.00 42.21 C ATOM 1004 CG2 VAL A 73 3.430 1.411 5.827 1.00 72.42 C ATOM 0 H VAL A 73 0.183 0.319 5.005 1.00 64.03 H new ATOM 0 HA VAL A 73 2.665 0.382 3.371 1.00 0.41 H new ATOM 0 HB VAL A 73 2.407 -0.430 6.288 1.00 72.52 H new ATOM 0 HG11 VAL A 73 4.858 -0.897 6.212 1.00 42.21 H new ATOM 0 HG12 VAL A 73 3.935 -1.975 5.137 1.00 42.21 H new ATOM 0 HG13 VAL A 73 4.846 -0.606 4.456 1.00 42.21 H new ATOM 0 HG21 VAL A 73 4.060 1.394 6.716 1.00 72.42 H new ATOM 0 HG22 VAL A 73 3.987 1.845 4.996 1.00 72.42 H new ATOM 0 HG23 VAL A 73 2.542 2.013 6.022 1.00 72.42 H new ATOM 1014 N ILE A 74 2.161 -1.975 2.611 1.00 41.21 N ATOM 1015 CA ILE A 74 1.909 -3.338 2.088 1.00 41.34 C ATOM 1016 C ILE A 74 3.051 -4.291 2.529 1.00 72.14 C ATOM 1017 O ILE A 74 4.211 -4.068 2.194 1.00 21.22 O ATOM 1018 CB ILE A 74 1.805 -3.326 0.507 1.00 75.14 C ATOM 1019 CG1 ILE A 74 0.666 -2.359 0.026 1.00 72.11 C ATOM 1020 CG2 ILE A 74 1.605 -4.758 -0.076 1.00 22.15 C ATOM 1021 CD1 ILE A 74 -0.744 -2.754 0.450 1.00 10.40 C ATOM 0 H ILE A 74 2.709 -1.395 1.976 1.00 41.21 H new ATOM 0 HA ILE A 74 0.961 -3.691 2.494 1.00 41.34 H new ATOM 0 HB ILE A 74 2.755 -2.952 0.125 1.00 75.14 H new ATOM 0 HG12 ILE A 74 0.876 -1.359 0.406 1.00 72.11 H new ATOM 0 HG13 ILE A 74 0.698 -2.299 -1.062 1.00 72.11 H new ATOM 0 HG21 ILE A 74 1.539 -4.703 -1.163 1.00 22.15 H new ATOM 0 HG22 ILE A 74 2.450 -5.386 0.204 1.00 22.15 H new ATOM 0 HG23 ILE A 74 0.686 -5.188 0.322 1.00 22.15 H new ATOM 0 HD11 ILE A 74 -1.457 -2.023 0.068 1.00 10.40 H new ATOM 0 HD12 ILE A 74 -0.983 -3.738 0.047 1.00 10.40 H new ATOM 0 HD13 ILE A 74 -0.802 -2.784 1.538 1.00 10.40 H new ATOM 1033 N HIS A 75 2.701 -5.345 3.284 1.00 3.31 N ATOM 1034 CA HIS A 75 3.655 -6.387 3.736 1.00 72.21 C ATOM 1035 C HIS A 75 3.683 -7.561 2.731 1.00 1.41 C ATOM 1036 O HIS A 75 2.623 -8.058 2.325 1.00 63.20 O ATOM 1037 CB HIS A 75 3.250 -6.899 5.141 1.00 75.32 C ATOM 1038 CG HIS A 75 3.434 -5.895 6.250 1.00 42.11 C ATOM 1039 ND1 HIS A 75 4.217 -6.144 7.357 1.00 61.21 N ATOM 1040 CD2 HIS A 75 2.922 -4.650 6.435 1.00 0.03 C ATOM 1041 CE1 HIS A 75 4.174 -5.111 8.171 1.00 11.32 C ATOM 1042 NE2 HIS A 75 3.398 -4.193 7.635 1.00 23.21 N ATOM 0 H HIS A 75 1.745 -5.505 3.603 1.00 3.31 H new ATOM 0 HA HIS A 75 4.653 -5.951 3.790 1.00 72.21 H new ATOM 0 HB2 HIS A 75 2.204 -7.205 5.115 1.00 75.32 H new ATOM 0 HB3 HIS A 75 3.836 -7.788 5.372 1.00 75.32 H new ATOM 0 HD1 HIS A 75 4.749 -6.999 7.520 1.00 61.21 H new ATOM 0 HD2 HIS A 75 2.264 -4.121 5.762 1.00 0.03 H new ATOM 0 HE1 HIS A 75 4.688 -5.030 9.117 1.00 11.32 H new ATOM 0 HE2 HIS A 75 3.185 -3.285 8.048 1.00 23.21 H new ATOM 1051 N LEU A 76 4.898 -7.993 2.337 1.00 70.22 N ATOM 1052 CA LEU A 76 5.109 -9.100 1.370 1.00 33.12 C ATOM 1053 C LEU A 76 6.140 -10.115 1.914 1.00 43.21 C ATOM 1054 O LEU A 76 7.081 -9.739 2.599 1.00 33.42 O ATOM 1055 CB LEU A 76 5.591 -8.531 -0.001 1.00 73.44 C ATOM 1056 CG LEU A 76 4.579 -7.604 -0.755 1.00 54.35 C ATOM 1057 CD1 LEU A 76 5.201 -6.977 -2.023 1.00 5.23 C ATOM 1058 CD2 LEU A 76 3.269 -8.360 -1.087 1.00 32.42 C ATOM 0 H LEU A 76 5.768 -7.585 2.680 1.00 70.22 H new ATOM 0 HA LEU A 76 4.160 -9.616 1.228 1.00 33.12 H new ATOM 0 HB2 LEU A 76 6.512 -7.971 0.164 1.00 73.44 H new ATOM 0 HB3 LEU A 76 5.840 -9.369 -0.652 1.00 73.44 H new ATOM 0 HG LEU A 76 4.332 -6.783 -0.082 1.00 54.35 H new ATOM 0 HD11 LEU A 76 4.464 -6.342 -2.514 1.00 5.23 H new ATOM 0 HD12 LEU A 76 6.068 -6.378 -1.745 1.00 5.23 H new ATOM 0 HD13 LEU A 76 5.511 -7.768 -2.706 1.00 5.23 H new ATOM 0 HD21 LEU A 76 2.586 -7.691 -1.610 1.00 32.42 H new ATOM 0 HD22 LEU A 76 3.494 -9.217 -1.721 1.00 32.42 H new ATOM 0 HD23 LEU A 76 2.804 -8.704 -0.163 1.00 32.42 H new ATOM 1070 N LYS A 77 5.956 -11.413 1.616 1.00 55.14 N ATOM 1071 CA LYS A 77 6.954 -12.456 1.954 1.00 44.01 C ATOM 1072 C LYS A 77 7.368 -13.243 0.700 1.00 5.55 C ATOM 1073 O LYS A 77 6.587 -13.393 -0.235 1.00 62.31 O ATOM 1074 CB LYS A 77 6.429 -13.421 3.055 1.00 41.41 C ATOM 1075 CG LYS A 77 5.199 -14.272 2.677 1.00 64.30 C ATOM 1076 CD LYS A 77 4.810 -15.266 3.799 1.00 51.23 C ATOM 1077 CE LYS A 77 3.550 -16.081 3.471 1.00 11.11 C ATOM 1078 NZ LYS A 77 3.671 -16.827 2.188 1.00 73.43 N ATOM 0 H LYS A 77 5.127 -11.770 1.142 1.00 55.14 H new ATOM 0 HA LYS A 77 7.832 -11.948 2.352 1.00 44.01 H new ATOM 0 HB2 LYS A 77 7.239 -14.094 3.337 1.00 41.41 H new ATOM 0 HB3 LYS A 77 6.181 -12.832 3.938 1.00 41.41 H new ATOM 0 HG2 LYS A 77 4.355 -13.615 2.467 1.00 64.30 H new ATOM 0 HG3 LYS A 77 5.409 -14.824 1.761 1.00 64.30 H new ATOM 0 HD2 LYS A 77 5.641 -15.949 3.976 1.00 51.23 H new ATOM 0 HD3 LYS A 77 4.648 -14.714 4.725 1.00 51.23 H new ATOM 0 HE2 LYS A 77 3.356 -16.785 4.280 1.00 11.11 H new ATOM 0 HE3 LYS A 77 2.692 -15.411 3.419 1.00 11.11 H new ATOM 0 HZ1 LYS A 77 2.831 -17.426 2.054 1.00 73.43 H new ATOM 0 HZ2 LYS A 77 3.744 -16.152 1.400 1.00 73.43 H new ATOM 0 HZ3 LYS A 77 4.522 -17.424 2.213 1.00 73.43 H new ATOM 1092 N HIS A 78 8.606 -13.754 0.693 1.00 53.44 N ATOM 1093 CA HIS A 78 9.141 -14.528 -0.440 1.00 14.10 C ATOM 1094 C HIS A 78 8.533 -15.952 -0.472 1.00 44.32 C ATOM 1095 O HIS A 78 8.384 -16.597 0.571 1.00 60.52 O ATOM 1096 CB HIS A 78 10.685 -14.596 -0.365 1.00 63.53 C ATOM 1097 CG HIS A 78 11.377 -13.248 -0.349 1.00 44.21 C ATOM 1098 ND1 HIS A 78 12.652 -13.071 0.138 1.00 13.12 N ATOM 1099 CD2 HIS A 78 10.975 -12.018 -0.775 1.00 3.44 C ATOM 1100 CE1 HIS A 78 13.003 -11.808 0.016 1.00 32.44 C ATOM 1101 NE2 HIS A 78 12.007 -11.146 -0.532 1.00 1.20 N ATOM 0 H HIS A 78 9.263 -13.645 1.466 1.00 53.44 H new ATOM 0 HA HIS A 78 8.861 -14.021 -1.363 1.00 14.10 H new ATOM 0 HB2 HIS A 78 10.968 -15.145 0.533 1.00 63.53 H new ATOM 0 HB3 HIS A 78 11.052 -15.168 -1.217 1.00 63.53 H new ATOM 0 HD2 HIS A 78 10.022 -11.774 -1.221 1.00 3.44 H new ATOM 0 HE1 HIS A 78 13.951 -11.386 0.316 1.00 32.44 H new ATOM 0 HE2 HIS A 78 12.002 -10.148 -0.742 1.00 1.20 H new ATOM 1110 N GLY A 79 8.177 -16.420 -1.678 1.00 24.43 N ATOM 1111 CA GLY A 79 7.659 -17.783 -1.890 1.00 33.11 C ATOM 1112 C GLY A 79 8.631 -18.624 -2.710 1.00 23.11 C ATOM 1113 O GLY A 79 8.231 -19.378 -3.604 1.00 73.41 O ATOM 0 H GLY A 79 8.239 -15.867 -2.533 1.00 24.43 H new ATOM 0 HA2 GLY A 79 7.484 -18.262 -0.927 1.00 33.11 H new ATOM 0 HA3 GLY A 79 6.697 -17.733 -2.401 1.00 33.11 H new ATOM 1117 N LEU A 80 9.931 -18.493 -2.378 1.00 61.21 N ATOM 1118 CA LEU A 80 11.038 -19.105 -3.136 1.00 62.24 C ATOM 1119 C LEU A 80 11.501 -20.400 -2.428 1.00 73.24 C ATOM 1120 O LEU A 80 12.382 -20.372 -1.557 1.00 32.13 O ATOM 1121 CB LEU A 80 12.209 -18.084 -3.280 1.00 24.14 C ATOM 1122 CG LEU A 80 11.840 -16.685 -3.884 1.00 53.25 C ATOM 1123 CD1 LEU A 80 13.079 -15.769 -3.976 1.00 64.34 C ATOM 1124 CD2 LEU A 80 11.144 -16.821 -5.260 1.00 2.43 C ATOM 0 H LEU A 80 10.243 -17.955 -1.570 1.00 61.21 H new ATOM 0 HA LEU A 80 10.697 -19.369 -4.137 1.00 62.24 H new ATOM 0 HB2 LEU A 80 12.649 -17.926 -2.295 1.00 24.14 H new ATOM 0 HB3 LEU A 80 12.980 -18.534 -3.905 1.00 24.14 H new ATOM 0 HG LEU A 80 11.129 -16.218 -3.203 1.00 53.25 H new ATOM 0 HD11 LEU A 80 12.790 -14.807 -4.399 1.00 64.34 H new ATOM 0 HD12 LEU A 80 13.494 -15.617 -2.980 1.00 64.34 H new ATOM 0 HD13 LEU A 80 13.829 -16.235 -4.615 1.00 64.34 H new ATOM 0 HD21 LEU A 80 10.904 -15.830 -5.646 1.00 2.43 H new ATOM 0 HD22 LEU A 80 11.811 -17.330 -5.956 1.00 2.43 H new ATOM 0 HD23 LEU A 80 10.227 -17.399 -5.148 1.00 2.43 H new ATOM 1136 N GLU A 81 10.853 -21.522 -2.776 1.00 34.25 N ATOM 1137 CA GLU A 81 11.141 -22.833 -2.167 1.00 1.12 C ATOM 1138 C GLU A 81 12.457 -23.421 -2.727 1.00 4.34 C ATOM 1139 O GLU A 81 12.509 -23.881 -3.875 1.00 42.31 O ATOM 1140 CB GLU A 81 9.951 -23.804 -2.396 1.00 11.12 C ATOM 1141 CG GLU A 81 8.594 -23.299 -1.846 1.00 71.53 C ATOM 1142 CD GLU A 81 8.642 -22.903 -0.357 1.00 5.33 C ATOM 1143 OE1 GLU A 81 8.781 -23.805 0.502 1.00 25.01 O ATOM 1144 OE2 GLU A 81 8.556 -21.692 -0.037 1.00 61.44 O ATOM 0 H GLU A 81 10.118 -21.548 -3.483 1.00 34.25 H new ATOM 0 HA GLU A 81 11.270 -22.698 -1.093 1.00 1.12 H new ATOM 0 HB2 GLU A 81 9.849 -23.988 -3.466 1.00 11.12 H new ATOM 0 HB3 GLU A 81 10.184 -24.761 -1.929 1.00 11.12 H new ATOM 0 HG2 GLU A 81 8.271 -22.439 -2.432 1.00 71.53 H new ATOM 0 HG3 GLU A 81 7.843 -24.078 -1.983 1.00 71.53 H new ATOM 1151 N HIS A 82 13.525 -23.373 -1.909 1.00 12.42 N ATOM 1152 CA HIS A 82 14.870 -23.853 -2.292 1.00 53.15 C ATOM 1153 C HIS A 82 15.323 -25.019 -1.387 1.00 62.21 C ATOM 1154 O HIS A 82 15.136 -24.978 -0.164 1.00 1.14 O ATOM 1155 CB HIS A 82 15.900 -22.685 -2.251 1.00 35.42 C ATOM 1156 CG HIS A 82 16.067 -22.019 -0.900 1.00 45.13 C ATOM 1157 ND1 HIS A 82 17.043 -22.386 0.008 1.00 53.11 N ATOM 1158 CD2 HIS A 82 15.381 -21.006 -0.310 1.00 52.50 C ATOM 1159 CE1 HIS A 82 16.944 -21.636 1.088 1.00 42.00 C ATOM 1160 NE2 HIS A 82 15.948 -20.794 0.920 1.00 43.23 N ATOM 0 H HIS A 82 13.481 -23.000 -0.961 1.00 12.42 H new ATOM 0 HA HIS A 82 14.817 -24.227 -3.314 1.00 53.15 H new ATOM 0 HB2 HIS A 82 16.869 -23.065 -2.573 1.00 35.42 H new ATOM 0 HB3 HIS A 82 15.597 -21.929 -2.976 1.00 35.42 H new ATOM 0 HD2 HIS A 82 14.545 -20.468 -0.731 1.00 52.50 H new ATOM 0 HE1 HIS A 82 17.574 -21.702 1.963 1.00 42.00 H new ATOM 0 HE2 HIS A 82 15.645 -20.094 1.597 1.00 43.23 H new ATOM 1169 N HIS A 83 15.914 -26.063 -2.003 1.00 72.42 N ATOM 1170 CA HIS A 83 16.532 -27.187 -1.264 1.00 45.02 C ATOM 1171 C HIS A 83 17.766 -26.712 -0.458 1.00 3.15 C ATOM 1172 O HIS A 83 18.464 -25.773 -0.861 1.00 0.13 O ATOM 1173 CB HIS A 83 16.917 -28.326 -2.241 1.00 22.51 C ATOM 1174 CG HIS A 83 15.724 -29.040 -2.833 1.00 72.24 C ATOM 1175 ND1 HIS A 83 15.189 -28.738 -4.067 1.00 31.51 N ATOM 1176 CD2 HIS A 83 14.954 -30.042 -2.338 1.00 5.10 C ATOM 1177 CE1 HIS A 83 14.152 -29.516 -4.299 1.00 44.15 C ATOM 1178 NE2 HIS A 83 13.990 -30.313 -3.268 1.00 70.33 N ATOM 0 H HIS A 83 15.977 -26.152 -3.017 1.00 72.42 H new ATOM 0 HA HIS A 83 15.800 -27.572 -0.554 1.00 45.02 H new ATOM 0 HB2 HIS A 83 17.521 -27.913 -3.049 1.00 22.51 H new ATOM 0 HB3 HIS A 83 17.540 -29.050 -1.716 1.00 22.51 H new ATOM 0 HD2 HIS A 83 15.080 -30.534 -1.385 1.00 5.10 H new ATOM 0 HE1 HIS A 83 13.538 -29.501 -5.188 1.00 44.15 H new ATOM 0 HE2 HIS A 83 13.261 -31.021 -3.176 1.00 70.33 H new ATOM 1187 N HIS A 84 18.040 -27.387 0.668 1.00 63.33 N ATOM 1188 CA HIS A 84 19.099 -26.975 1.628 1.00 31.54 C ATOM 1189 C HIS A 84 20.464 -27.644 1.296 1.00 54.21 C ATOM 1190 O HIS A 84 21.232 -28.029 2.186 1.00 44.43 O ATOM 1191 CB HIS A 84 18.620 -27.308 3.066 1.00 43.12 C ATOM 1192 CG HIS A 84 17.284 -26.685 3.414 1.00 2.44 C ATOM 1193 ND1 HIS A 84 16.121 -27.414 3.536 1.00 73.21 N ATOM 1194 CD2 HIS A 84 16.932 -25.395 3.647 1.00 0.21 C ATOM 1195 CE1 HIS A 84 15.120 -26.609 3.825 1.00 61.45 C ATOM 1196 NE2 HIS A 84 15.581 -25.381 3.898 1.00 64.12 N ATOM 0 H HIS A 84 17.541 -28.232 0.947 1.00 63.33 H new ATOM 0 HA HIS A 84 19.266 -25.901 1.549 1.00 31.54 H new ATOM 0 HB2 HIS A 84 18.548 -28.390 3.175 1.00 43.12 H new ATOM 0 HB3 HIS A 84 19.369 -26.965 3.779 1.00 43.12 H new ATOM 0 HD2 HIS A 84 17.591 -24.539 3.637 1.00 0.21 H new ATOM 0 HE1 HIS A 84 14.093 -26.908 3.976 1.00 61.45 H new ATOM 0 HE2 HIS A 84 15.026 -24.551 4.107 1.00 64.12 H new ATOM 1205 N HIS A 85 20.768 -27.728 -0.019 1.00 52.12 N ATOM 1206 CA HIS A 85 22.062 -28.239 -0.544 1.00 73.13 C ATOM 1207 C HIS A 85 23.215 -27.210 -0.294 1.00 55.23 C ATOM 1208 O HIS A 85 24.394 -27.518 -0.481 1.00 60.13 O ATOM 1209 CB HIS A 85 21.899 -28.556 -2.054 1.00 70.23 C ATOM 1210 CG HIS A 85 23.012 -29.368 -2.670 1.00 54.44 C ATOM 1211 ND1 HIS A 85 24.017 -28.825 -3.442 1.00 42.41 N ATOM 1212 CD2 HIS A 85 23.250 -30.703 -2.650 1.00 33.51 C ATOM 1213 CE1 HIS A 85 24.817 -29.787 -3.861 1.00 5.22 C ATOM 1214 NE2 HIS A 85 24.371 -30.932 -3.396 1.00 61.02 N ATOM 0 H HIS A 85 20.120 -27.442 -0.753 1.00 52.12 H new ATOM 0 HA HIS A 85 22.336 -29.152 -0.016 1.00 73.13 H new ATOM 0 HB2 HIS A 85 20.960 -29.092 -2.196 1.00 70.23 H new ATOM 0 HB3 HIS A 85 21.815 -27.615 -2.598 1.00 70.23 H new ATOM 0 HD2 HIS A 85 22.661 -31.449 -2.138 1.00 33.51 H new ATOM 0 HE1 HIS A 85 25.691 -29.655 -4.482 1.00 5.22 H new ATOM 0 HE2 HIS A 85 24.794 -31.845 -3.565 1.00 61.02 H new ATOM 1223 N HIS A 86 22.833 -25.976 0.102 1.00 13.15 N ATOM 1224 CA HIS A 86 23.745 -24.943 0.650 1.00 21.32 C ATOM 1225 C HIS A 86 23.247 -24.478 2.043 1.00 60.55 C ATOM 1226 O HIS A 86 22.042 -24.527 2.336 1.00 50.31 O ATOM 1227 CB HIS A 86 23.856 -23.724 -0.306 1.00 64.13 C ATOM 1228 CG HIS A 86 24.617 -23.996 -1.578 1.00 73.41 C ATOM 1229 ND1 HIS A 86 24.124 -23.705 -2.831 1.00 63.24 N ATOM 1230 CD2 HIS A 86 25.871 -24.474 -1.777 1.00 55.00 C ATOM 1231 CE1 HIS A 86 25.034 -23.991 -3.737 1.00 32.11 C ATOM 1232 NE2 HIS A 86 26.100 -24.459 -3.127 1.00 14.11 N ATOM 0 H HIS A 86 21.864 -25.662 0.049 1.00 13.15 H new ATOM 0 HA HIS A 86 24.735 -25.388 0.749 1.00 21.32 H new ATOM 0 HB2 HIS A 86 22.852 -23.387 -0.563 1.00 64.13 H new ATOM 0 HB3 HIS A 86 24.341 -22.905 0.225 1.00 64.13 H new ATOM 0 HD2 HIS A 86 26.560 -24.804 -1.014 1.00 55.00 H new ATOM 0 HE1 HIS A 86 24.924 -23.863 -4.804 1.00 32.11 H new ATOM 0 HE2 HIS A 86 26.959 -24.762 -3.585 1.00 14.11 H new ATOM 1241 N HIS A 87 24.193 -24.030 2.888 1.00 62.25 N ATOM 1242 CA HIS A 87 23.901 -23.518 4.245 1.00 42.53 C ATOM 1243 C HIS A 87 23.279 -22.107 4.182 1.00 33.22 C ATOM 1244 O HIS A 87 23.948 -21.119 3.852 1.00 74.03 O ATOM 1245 CB HIS A 87 25.204 -23.527 5.099 1.00 41.41 C ATOM 1246 CG HIS A 87 25.019 -23.096 6.538 1.00 60.50 C ATOM 1247 ND1 HIS A 87 24.524 -23.933 7.514 1.00 5.43 N ATOM 1248 CD2 HIS A 87 25.267 -21.914 7.161 1.00 13.45 C ATOM 1249 CE1 HIS A 87 24.472 -23.293 8.661 1.00 30.43 C ATOM 1250 NE2 HIS A 87 24.919 -22.070 8.479 1.00 32.34 N ATOM 0 H HIS A 87 25.185 -24.012 2.651 1.00 62.25 H new ATOM 0 HA HIS A 87 23.169 -24.171 4.721 1.00 42.53 H new ATOM 0 HB2 HIS A 87 25.624 -24.533 5.086 1.00 41.41 H new ATOM 0 HB3 HIS A 87 25.936 -22.870 4.628 1.00 41.41 H new ATOM 0 HD2 HIS A 87 25.664 -21.019 6.704 1.00 13.45 H new ATOM 0 HE1 HIS A 87 24.121 -23.703 9.596 1.00 30.43 H new ATOM 0 HE2 HIS A 87 24.995 -21.353 9.201 1.00 32.34 H new TER 1259 HIS A 87