USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 806 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 97 HIS : no HD1:sc= -1.09 K(o=-2.9,f=-3.7) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= -1.78 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.539 K(o=-0.54,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 13 ASN : amide:sc= -0.689 K(o=-0.69,f=-0.038) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00152) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.069) USER MOD Single : A 29 THR OG1 : rot -150:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= -1.1 (180deg=-2.45!) USER MOD Single : A 39 ASN : amide:sc= -6.85! C(o=-6.8!,f=-6.5!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -27:sc= 1.69! USER MOD Single : A 44 MET CE :methyl -173:sc= 0 (180deg=-0.107) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -2.97! (180deg=-3.11!) USER MOD Single : A 49 ASN : amide:sc= -0.323 X(o=-0.32,f=0.14) USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= -0.0331 (180deg=-0.309) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0751 K(o=-0.075,f=-1.2!) USER MOD Single : A 57 HIS : no HE2:sc= -0.423 K(o=-0.42,f=-3.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0.0151 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -6.21! C(o=-6.2!,f=-4.4!) USER MOD Single : A 70 SER OG : rot 120:sc= -2.54! USER MOD Single : A 73 MET CE :methyl 145:sc= -4.99 (180deg=-12.1!) USER MOD Single : A 75 SER OG : rot -6:sc= -3.55! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -1.91 (180deg=-2.65) USER MOD Single : A 83 ASN : amide:sc= -0.678 K(o=-0.68,f=-3.5!) USER MOD Single : A 84 TYR OH : rot 0:sc= -1.86 USER MOD Single : A 85 THR OG1 : rot -170:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -6.08! C(o=-6.1!,f=-4.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.03 X(o=-2,f=-2.2) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.0919 X(o=-0.092,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 4 -1.975 23.293 -5.357 1.00 1.39 N ATOM 2 CA ASN A 4 -0.560 23.062 -5.631 1.00 1.19 C ATOM 3 C ASN A 4 0.203 22.622 -4.384 1.00 0.98 C ATOM 4 O ASN A 4 1.425 22.757 -4.320 1.00 1.50 O ATOM 5 CB ASN A 4 0.082 24.324 -6.210 1.00 1.71 C ATOM 6 CG ASN A 4 0.056 24.340 -7.726 1.00 1.99 C ATOM 7 OD1 ASN A 4 0.998 23.892 -8.379 1.00 2.33 O ATOM 8 ND2 ASN A 4 -1.026 24.860 -8.294 1.00 2.64 N ATOM 0 HA ASN A 4 -0.502 22.253 -6.359 1.00 1.19 H new ATOM 0 HB2 ASN A 4 -0.441 25.202 -5.831 1.00 1.71 H new ATOM 0 HB3 ASN A 4 1.114 24.395 -5.866 1.00 1.71 H new ATOM 0 HD21 ASN A 4 -1.099 24.899 -9.311 1.00 2.64 H new ATOM 0 HD22 ASN A 4 -1.784 25.220 -7.714 1.00 2.64 H new ATOM 15 N ASN A 5 -0.509 22.088 -3.396 1.00 0.76 N ATOM 16 CA ASN A 5 0.123 21.627 -2.166 1.00 0.53 C ATOM 17 C ASN A 5 -0.431 20.264 -1.765 1.00 0.49 C ATOM 18 O ASN A 5 -0.971 19.538 -2.599 1.00 0.60 O ATOM 19 CB ASN A 5 -0.101 22.635 -1.033 1.00 0.52 C ATOM 20 CG ASN A 5 -0.029 24.073 -1.508 1.00 0.63 C ATOM 21 OD1 ASN A 5 0.900 24.458 -2.218 1.00 1.19 O ATOM 22 ND2 ASN A 5 -1.012 24.875 -1.115 1.00 1.41 N ATOM 0 H ASN A 5 -1.521 21.964 -3.424 1.00 0.76 H new ATOM 0 HA ASN A 5 1.194 21.536 -2.346 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.075 22.455 -0.579 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.647 22.475 -0.256 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -1.017 25.854 -1.402 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -1.762 24.512 -0.526 1.00 1.41 H new ATOM 29 N LYS A 6 -0.303 19.921 -0.491 1.00 0.45 N ATOM 30 CA LYS A 6 -0.801 18.649 0.006 1.00 0.49 C ATOM 31 C LYS A 6 -2.297 18.731 0.290 1.00 0.49 C ATOM 32 O LYS A 6 -2.738 19.540 1.106 1.00 0.56 O ATOM 33 CB LYS A 6 -0.057 18.251 1.275 1.00 0.64 C ATOM 34 CG LYS A 6 1.385 17.848 1.036 1.00 1.28 C ATOM 35 CD LYS A 6 2.232 19.038 0.619 1.00 1.76 C ATOM 36 CE LYS A 6 3.655 18.920 1.142 1.00 2.52 C ATOM 37 NZ LYS A 6 3.787 19.461 2.523 1.00 3.06 N ATOM 0 H LYS A 6 0.142 20.507 0.216 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.631 17.893 -0.761 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.080 19.085 1.976 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -0.583 17.422 1.749 1.00 0.64 H new ATOM 0 HG2 LYS A 6 1.796 17.407 1.944 1.00 1.28 H new ATOM 0 HG3 LYS A 6 1.427 17.081 0.262 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.248 19.111 -0.468 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.780 19.957 0.994 1.00 1.76 H new ATOM 0 HE2 LYS A 6 3.960 17.874 1.132 1.00 2.52 H new ATOM 0 HE3 LYS A 6 4.332 19.456 0.476 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 4.772 19.362 2.842 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 3.521 20.466 2.529 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.161 18.933 3.164 1.00 3.06 H new ATOM 51 N ARG A 7 -3.074 17.891 -0.385 1.00 0.50 N ATOM 52 CA ARG A 7 -4.519 17.877 -0.195 1.00 0.52 C ATOM 53 C ARG A 7 -5.053 16.450 -0.150 1.00 0.47 C ATOM 54 O ARG A 7 -4.864 15.668 -1.090 1.00 0.43 O ATOM 55 CB ARG A 7 -5.208 18.668 -1.304 1.00 0.57 C ATOM 56 CG ARG A 7 -5.330 20.153 -1.006 1.00 0.77 C ATOM 57 CD ARG A 7 -4.129 20.925 -1.525 1.00 0.64 C ATOM 58 NE ARG A 7 -4.216 22.349 -1.210 1.00 0.98 N ATOM 59 CZ ARG A 7 -3.948 22.856 -0.011 1.00 1.66 C ATOM 60 NH1 ARG A 7 -3.583 22.057 0.983 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.046 24.163 0.196 1.00 2.11 N ATOM 0 H ARG A 7 -2.729 17.214 -1.066 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.739 18.350 0.762 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.652 18.537 -2.232 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.204 18.256 -1.468 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.240 20.543 -1.462 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.423 20.303 0.070 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.218 20.513 -1.091 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -4.054 20.796 -2.605 1.00 0.64 H new ATOM 0 HE ARG A 7 -4.498 22.990 -1.952 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -3.508 21.052 0.828 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -3.378 22.448 1.902 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.327 24.780 -0.566 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -3.840 24.550 1.117 1.00 2.11 H new ATOM 75 N ALA A 8 -5.719 16.131 0.962 1.00 0.50 N ATOM 76 CA ALA A 8 -6.298 14.807 1.197 1.00 0.47 C ATOM 77 C ALA A 8 -6.832 14.157 -0.081 1.00 0.44 C ATOM 78 O ALA A 8 -7.794 14.645 -0.674 1.00 0.56 O ATOM 79 CB ALA A 8 -7.412 14.909 2.226 1.00 0.54 C ATOM 0 H ALA A 8 -5.872 16.787 1.728 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.497 14.169 1.569 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.840 13.921 2.398 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.009 15.298 3.161 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.187 15.581 1.858 1.00 0.54 H new ATOM 85 N PRO A 9 -6.228 13.033 -0.515 1.00 0.36 N ATOM 86 CA PRO A 9 -6.665 12.318 -1.703 1.00 0.37 C ATOM 87 C PRO A 9 -7.808 11.357 -1.394 1.00 0.37 C ATOM 88 O PRO A 9 -7.670 10.456 -0.563 1.00 0.40 O ATOM 89 CB PRO A 9 -5.414 11.543 -2.146 1.00 0.39 C ATOM 90 CG PRO A 9 -4.433 11.622 -1.013 1.00 0.51 C ATOM 91 CD PRO A 9 -5.092 12.360 0.123 1.00 0.41 C ATOM 0 HA PRO A 9 -7.048 12.992 -2.470 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.661 10.506 -2.372 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.992 11.975 -3.054 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -4.135 10.622 -0.696 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.527 12.139 -1.329 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.419 11.678 0.908 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.411 13.075 0.585 1.00 0.41 H new ATOM 99 N TYR A 10 -8.937 11.554 -2.066 1.00 0.38 N ATOM 100 CA TYR A 10 -10.107 10.710 -1.865 1.00 0.41 C ATOM 101 C TYR A 10 -10.009 9.437 -2.700 1.00 0.38 C ATOM 102 O TYR A 10 -9.607 9.473 -3.862 1.00 0.44 O ATOM 103 CB TYR A 10 -11.378 11.478 -2.234 1.00 0.49 C ATOM 104 CG TYR A 10 -11.899 12.360 -1.124 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.027 13.028 -0.273 1.00 1.90 C ATOM 106 CD2 TYR A 10 -13.266 12.526 -0.926 1.00 2.02 C ATOM 107 CE1 TYR A 10 -11.499 13.836 0.744 1.00 2.78 C ATOM 108 CE2 TYR A 10 -13.746 13.334 0.088 1.00 2.96 C ATOM 109 CZ TYR A 10 -12.861 13.980 0.922 1.00 3.18 C ATOM 110 OH TYR A 10 -13.335 14.790 1.930 1.00 4.20 O ATOM 0 H TYR A 10 -9.066 12.294 -2.757 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.149 10.430 -0.813 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.178 12.093 -3.111 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -12.154 10.766 -2.514 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -9.962 12.914 -0.409 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -13.963 12.016 -1.574 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -10.808 14.351 1.395 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -14.810 13.458 0.225 1.00 2.96 H new ATOM 0 HH TYR A 10 -14.315 14.785 1.920 1.00 4.20 H new ATOM 120 N TRP A 11 -10.381 8.314 -2.097 1.00 0.47 N ATOM 121 CA TRP A 11 -10.336 7.027 -2.780 1.00 0.49 C ATOM 122 C TRP A 11 -11.047 7.102 -4.126 1.00 0.42 C ATOM 123 O TRP A 11 -12.183 7.564 -4.216 1.00 0.45 O ATOM 124 CB TRP A 11 -10.982 5.947 -1.913 1.00 0.60 C ATOM 125 CG TRP A 11 -12.310 6.356 -1.351 1.00 0.83 C ATOM 126 CD1 TRP A 11 -13.510 6.365 -2.003 1.00 1.71 C ATOM 127 CD2 TRP A 11 -12.571 6.822 -0.022 1.00 1.65 C ATOM 128 NE1 TRP A 11 -14.499 6.805 -1.160 1.00 2.26 N ATOM 129 CE2 TRP A 11 -13.950 7.092 0.062 1.00 2.17 C ATOM 130 CE3 TRP A 11 -11.773 7.034 1.106 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -14.545 7.565 1.228 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -12.366 7.503 2.263 1.00 3.54 C ATOM 133 CH2 TRP A 11 -13.739 7.764 2.317 1.00 3.60 C ATOM 0 H TRP A 11 -10.718 8.269 -1.135 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.291 6.771 -2.953 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -11.109 5.042 -2.507 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -10.309 5.698 -1.093 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -13.659 6.069 -3.031 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -15.485 6.903 -1.404 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -10.712 6.835 1.074 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -15.605 7.768 1.272 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -11.759 7.671 3.140 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -14.172 8.130 3.236 1.00 3.60 H new ATOM 144 N THR A 12 -10.371 6.640 -5.174 1.00 0.45 N ATOM 145 CA THR A 12 -10.942 6.652 -6.515 1.00 0.50 C ATOM 146 C THR A 12 -11.527 5.290 -6.869 1.00 0.55 C ATOM 147 O THR A 12 -12.732 5.156 -7.078 1.00 0.64 O ATOM 148 CB THR A 12 -9.891 7.036 -7.574 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.815 7.756 -6.959 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.516 7.886 -8.669 1.00 1.23 C ATOM 0 H THR A 12 -9.429 6.253 -5.120 1.00 0.45 H new ATOM 0 HA THR A 12 -11.734 7.401 -6.515 1.00 0.50 H new ATOM 0 HB THR A 12 -9.505 6.120 -8.021 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.151 7.995 -7.639 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.756 8.146 -9.406 1.00 1.23 H new ATOM 0 HG22 THR A 12 -11.315 7.325 -9.154 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.925 8.797 -8.233 1.00 1.23 H new ATOM 158 N ASN A 13 -10.663 4.282 -6.933 1.00 0.56 N ATOM 159 CA ASN A 13 -11.093 2.928 -7.260 1.00 0.66 C ATOM 160 C ASN A 13 -11.311 2.110 -5.993 1.00 0.63 C ATOM 161 O ASN A 13 -10.499 2.152 -5.069 1.00 0.58 O ATOM 162 CB ASN A 13 -10.058 2.243 -8.152 1.00 0.73 C ATOM 163 CG ASN A 13 -9.794 3.017 -9.431 1.00 1.35 C ATOM 164 OD1 ASN A 13 -10.727 3.404 -10.138 1.00 2.05 O ATOM 165 ND2 ASN A 13 -8.523 3.244 -9.735 1.00 1.96 N ATOM 0 H ASN A 13 -9.662 4.377 -6.763 1.00 0.56 H new ATOM 0 HA ASN A 13 -12.039 2.992 -7.799 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -9.125 2.129 -7.600 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.405 1.240 -8.402 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -8.285 3.758 -10.584 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -7.783 2.905 -9.120 1.00 1.96 H new ATOM 172 N THR A 14 -12.411 1.364 -5.955 1.00 0.74 N ATOM 173 CA THR A 14 -12.728 0.536 -4.799 1.00 0.78 C ATOM 174 C THR A 14 -11.699 -0.574 -4.627 1.00 0.76 C ATOM 175 O THR A 14 -11.550 -1.439 -5.496 1.00 0.78 O ATOM 176 CB THR A 14 -14.131 -0.092 -4.926 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.740 0.315 -6.156 1.00 1.06 O ATOM 178 CG2 THR A 14 -15.016 0.317 -3.758 1.00 1.15 C ATOM 0 H THR A 14 -13.095 1.317 -6.710 1.00 0.74 H new ATOM 0 HA THR A 14 -12.709 1.186 -3.925 1.00 0.78 H new ATOM 0 HB THR A 14 -14.021 -1.176 -4.916 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.630 -0.089 -6.230 1.00 1.06 H new ATOM 0 HG21 THR A 14 -16.000 -0.138 -3.870 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.565 -0.019 -2.824 1.00 1.15 H new ATOM 0 HG23 THR A 14 -15.118 1.402 -3.741 1.00 1.15 H new ATOM 186 N GLU A 15 -11.017 -0.580 -3.487 1.00 0.76 N ATOM 187 CA GLU A 15 -10.034 -1.613 -3.204 1.00 0.77 C ATOM 188 C GLU A 15 -10.725 -2.909 -2.790 1.00 0.82 C ATOM 189 O GLU A 15 -10.085 -3.956 -2.684 1.00 0.82 O ATOM 190 CB GLU A 15 -9.074 -1.162 -2.102 1.00 0.79 C ATOM 191 CG GLU A 15 -8.795 0.333 -2.106 1.00 1.35 C ATOM 192 CD GLU A 15 -9.547 1.067 -1.013 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.508 0.490 -0.462 1.00 2.50 O ATOM 194 OE2 GLU A 15 -9.175 2.221 -0.708 1.00 2.06 O ATOM 0 H GLU A 15 -11.127 0.116 -2.749 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.461 -1.791 -4.114 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.489 -1.442 -1.134 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.132 -1.698 -2.212 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -7.725 0.500 -1.982 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.072 0.748 -3.075 1.00 1.35 H new ATOM 201 N LYS A 16 -12.040 -2.841 -2.579 1.00 0.88 N ATOM 202 CA LYS A 16 -12.801 -4.017 -2.205 1.00 0.95 C ATOM 203 C LYS A 16 -12.915 -4.970 -3.390 1.00 0.98 C ATOM 204 O LYS A 16 -13.182 -6.160 -3.217 1.00 1.01 O ATOM 205 CB LYS A 16 -14.194 -3.625 -1.714 1.00 1.04 C ATOM 206 CG LYS A 16 -15.013 -4.807 -1.228 1.00 1.44 C ATOM 207 CD LYS A 16 -15.596 -4.549 0.153 1.00 1.61 C ATOM 208 CE LYS A 16 -16.497 -3.323 0.155 1.00 2.37 C ATOM 209 NZ LYS A 16 -17.869 -3.641 0.640 1.00 2.83 N ATOM 0 H LYS A 16 -12.591 -1.986 -2.662 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.276 -4.521 -1.393 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.096 -2.902 -0.904 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.730 -3.128 -2.522 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -15.820 -5.007 -1.933 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.386 -5.698 -1.199 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -16.164 -5.420 0.478 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -14.788 -4.409 0.871 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -16.058 -2.551 0.788 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -16.555 -2.913 -0.853 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -18.451 -2.779 0.626 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -18.298 -4.359 0.022 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -17.817 -4.008 1.612 1.00 2.83 H new ATOM 223 N MET A 17 -12.696 -4.444 -4.596 1.00 0.98 N ATOM 224 CA MET A 17 -12.760 -5.257 -5.801 1.00 1.04 C ATOM 225 C MET A 17 -11.419 -5.240 -6.523 1.00 1.03 C ATOM 226 O MET A 17 -11.346 -5.482 -7.728 1.00 1.17 O ATOM 227 CB MET A 17 -13.863 -4.749 -6.731 1.00 1.21 C ATOM 228 CG MET A 17 -15.193 -4.523 -6.031 1.00 1.44 C ATOM 229 SD MET A 17 -16.591 -5.167 -6.969 1.00 1.83 S ATOM 230 CE MET A 17 -17.023 -3.736 -7.957 1.00 2.16 C ATOM 0 H MET A 17 -12.474 -3.462 -4.759 1.00 0.98 H new ATOM 0 HA MET A 17 -12.991 -6.282 -5.512 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.539 -3.814 -7.188 1.00 1.21 H new ATOM 0 HB3 MET A 17 -14.005 -5.467 -7.539 1.00 1.21 H new ATOM 0 HG2 MET A 17 -15.168 -4.999 -5.051 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.334 -3.455 -5.864 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.875 -3.977 -8.593 1.00 2.16 H new ATOM 0 HE2 MET A 17 -17.284 -2.906 -7.300 1.00 2.16 H new ATOM 0 HE3 MET A 17 -16.174 -3.454 -8.579 1.00 2.16 H new ATOM 240 N GLU A 18 -10.354 -4.950 -5.776 1.00 0.95 N ATOM 241 CA GLU A 18 -9.016 -4.899 -6.345 1.00 1.06 C ATOM 242 C GLU A 18 -8.120 -5.962 -5.725 1.00 0.96 C ATOM 243 O GLU A 18 -7.788 -6.957 -6.369 1.00 1.57 O ATOM 244 CB GLU A 18 -8.402 -3.513 -6.139 1.00 1.43 C ATOM 245 CG GLU A 18 -7.930 -2.861 -7.427 1.00 1.29 C ATOM 246 CD GLU A 18 -8.624 -1.542 -7.700 1.00 2.13 C ATOM 247 OE1 GLU A 18 -8.427 -0.592 -6.913 1.00 2.88 O ATOM 248 OE2 GLU A 18 -9.366 -1.457 -8.701 1.00 2.56 O ATOM 0 H GLU A 18 -10.396 -4.748 -4.777 1.00 0.95 H new ATOM 0 HA GLU A 18 -9.097 -5.097 -7.414 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -9.138 -2.866 -5.662 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -7.559 -3.596 -5.453 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -6.854 -2.697 -7.374 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -8.108 -3.540 -8.260 1.00 1.29 H new ATOM 255 N LYS A 19 -7.710 -5.745 -4.477 1.00 0.84 N ATOM 256 CA LYS A 19 -6.833 -6.696 -3.806 1.00 1.08 C ATOM 257 C LYS A 19 -7.134 -6.829 -2.314 1.00 0.87 C ATOM 258 O LYS A 19 -6.316 -6.441 -1.482 1.00 0.87 O ATOM 259 CB LYS A 19 -5.374 -6.284 -3.996 1.00 1.66 C ATOM 260 CG LYS A 19 -4.382 -7.390 -3.675 1.00 2.57 C ATOM 261 CD LYS A 19 -4.704 -8.666 -4.436 1.00 2.87 C ATOM 262 CE LYS A 19 -3.440 -9.382 -4.885 1.00 3.55 C ATOM 263 NZ LYS A 19 -2.894 -10.267 -3.819 1.00 4.14 N ATOM 0 H LYS A 19 -7.967 -4.931 -3.919 1.00 0.84 H new ATOM 0 HA LYS A 19 -7.015 -7.669 -4.262 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -5.227 -5.964 -5.028 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -5.163 -5.423 -3.362 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -3.374 -7.060 -3.926 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -4.394 -7.591 -2.604 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -5.294 -9.329 -3.803 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -5.316 -8.427 -5.306 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.655 -9.975 -5.774 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -2.687 -8.646 -5.167 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -2.014 -10.710 -4.153 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -2.696 -9.704 -2.967 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -3.589 -11.006 -3.591 1.00 4.14 H new ATOM 277 N ARG A 20 -8.283 -7.411 -1.970 1.00 0.98 N ATOM 278 CA ARG A 20 -8.614 -7.610 -0.561 1.00 0.92 C ATOM 279 C ARG A 20 -8.489 -9.081 -0.182 1.00 0.94 C ATOM 280 O ARG A 20 -7.376 -9.544 0.039 1.00 1.30 O ATOM 281 CB ARG A 20 -9.995 -7.060 -0.185 1.00 0.95 C ATOM 282 CG ARG A 20 -10.898 -6.756 -1.370 1.00 1.64 C ATOM 283 CD ARG A 20 -11.246 -8.013 -2.155 1.00 2.15 C ATOM 284 NE ARG A 20 -12.477 -8.635 -1.677 1.00 2.67 N ATOM 285 CZ ARG A 20 -13.096 -9.625 -2.313 1.00 3.29 C ATOM 286 NH1 ARG A 20 -12.595 -10.110 -3.439 1.00 3.51 N ATOM 287 NH2 ARG A 20 -14.218 -10.131 -1.819 1.00 4.11 N ATOM 0 H ARG A 20 -8.985 -7.746 -2.630 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.889 -7.034 0.015 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.495 -7.781 0.461 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.862 -6.148 0.398 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -11.814 -6.283 -1.016 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.404 -6.041 -2.029 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -11.353 -7.763 -3.211 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -10.426 -8.727 -2.078 1.00 2.15 H new ATOM 0 HE ARG A 20 -12.885 -8.291 -0.807 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -11.732 -9.724 -3.821 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -13.073 -10.870 -3.924 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -14.606 -9.761 -0.951 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -14.693 -10.890 -2.307 1.00 4.11 H new ATOM 301 N LEU A 21 -9.603 -9.823 -0.098 1.00 1.59 N ATOM 302 CA LEU A 21 -9.530 -11.226 0.289 1.00 1.80 C ATOM 303 C LEU A 21 -8.998 -12.087 -0.840 1.00 1.48 C ATOM 304 O LEU A 21 -9.760 -12.602 -1.657 1.00 2.41 O ATOM 305 CB LEU A 21 -10.919 -11.722 0.705 1.00 3.05 C ATOM 306 CG LEU A 21 -11.072 -12.044 2.192 1.00 3.76 C ATOM 307 CD1 LEU A 21 -12.228 -11.261 2.793 1.00 4.55 C ATOM 308 CD2 LEU A 21 -11.277 -13.539 2.394 1.00 4.31 C ATOM 0 H LEU A 21 -10.543 -9.478 -0.290 1.00 1.59 H new ATOM 0 HA LEU A 21 -8.841 -11.307 1.130 1.00 1.80 H new ATOM 0 HB2 LEU A 21 -11.655 -10.964 0.435 1.00 3.05 H new ATOM 0 HB3 LEU A 21 -11.157 -12.616 0.129 1.00 3.05 H new ATOM 0 HG LEU A 21 -10.156 -11.749 2.704 1.00 3.76 H new ATOM 0 HD11 LEU A 21 -12.321 -11.504 3.852 1.00 4.55 H new ATOM 0 HD12 LEU A 21 -12.041 -10.193 2.681 1.00 4.55 H new ATOM 0 HD13 LEU A 21 -13.152 -11.524 2.278 1.00 4.55 H new ATOM 0 HD21 LEU A 21 -11.384 -13.751 3.458 1.00 4.31 H new ATOM 0 HD22 LEU A 21 -12.177 -13.857 1.868 1.00 4.31 H new ATOM 0 HD23 LEU A 21 -10.417 -14.081 2.001 1.00 4.31 H new ATOM 320 N HIS A 22 -7.675 -12.237 -0.884 1.00 0.87 N ATOM 321 CA HIS A 22 -7.037 -13.036 -1.923 1.00 1.59 C ATOM 322 C HIS A 22 -5.978 -13.966 -1.344 1.00 1.16 C ATOM 323 O HIS A 22 -5.769 -14.014 -0.131 1.00 1.19 O ATOM 324 CB HIS A 22 -6.415 -12.127 -2.985 1.00 2.66 C ATOM 325 CG HIS A 22 -7.287 -11.932 -4.185 1.00 3.21 C ATOM 326 ND1 HIS A 22 -7.096 -12.608 -5.373 1.00 4.07 N ATOM 327 CD2 HIS A 22 -8.363 -11.132 -4.381 1.00 3.32 C ATOM 328 CE1 HIS A 22 -8.016 -12.233 -6.244 1.00 4.62 C ATOM 329 NE2 HIS A 22 -8.797 -11.339 -5.666 1.00 4.23 N ATOM 0 H HIS A 22 -7.029 -11.817 -0.215 1.00 0.87 H new ATOM 0 HA HIS A 22 -7.807 -13.653 -2.386 1.00 1.59 H new ATOM 0 HB2 HIS A 22 -6.199 -11.156 -2.540 1.00 2.66 H new ATOM 0 HB3 HIS A 22 -5.462 -12.551 -3.302 1.00 2.66 H new ATOM 0 HD2 HIS A 22 -8.798 -10.457 -3.659 1.00 3.32 H new ATOM 0 HE1 HIS A 22 -8.113 -12.596 -7.257 1.00 4.62 H new ATOM 0 HE2 HIS A 22 -9.594 -10.877 -6.104 1.00 4.23 H new ATOM 338 N ALA A 23 -5.304 -14.695 -2.228 1.00 1.06 N ATOM 339 CA ALA A 23 -4.252 -15.619 -1.824 1.00 0.93 C ATOM 340 C ALA A 23 -2.950 -15.293 -2.550 1.00 0.84 C ATOM 341 O ALA A 23 -2.940 -15.107 -3.767 1.00 0.97 O ATOM 342 CB ALA A 23 -4.670 -17.055 -2.103 1.00 1.21 C ATOM 0 H ALA A 23 -5.470 -14.663 -3.234 1.00 1.06 H new ATOM 0 HA ALA A 23 -4.088 -15.509 -0.752 1.00 0.93 H new ATOM 0 HB1 ALA A 23 -3.873 -17.732 -1.796 1.00 1.21 H new ATOM 0 HB2 ALA A 23 -5.577 -17.285 -1.544 1.00 1.21 H new ATOM 0 HB3 ALA A 23 -4.859 -17.178 -3.169 1.00 1.21 H new ATOM 348 N VAL A 24 -1.857 -15.214 -1.799 1.00 0.78 N ATOM 349 CA VAL A 24 -0.559 -14.896 -2.383 1.00 0.74 C ATOM 350 C VAL A 24 0.447 -16.024 -2.166 1.00 0.68 C ATOM 351 O VAL A 24 0.547 -16.575 -1.070 1.00 0.77 O ATOM 352 CB VAL A 24 0.016 -13.599 -1.782 1.00 0.81 C ATOM 353 CG1 VAL A 24 1.291 -13.195 -2.505 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.015 -12.482 -1.837 1.00 1.30 C ATOM 0 H VAL A 24 -1.843 -15.365 -0.790 1.00 0.78 H new ATOM 0 HA VAL A 24 -0.722 -14.764 -3.453 1.00 0.74 H new ATOM 0 HB VAL A 24 0.262 -13.783 -0.736 1.00 0.81 H new ATOM 0 HG11 VAL A 24 1.682 -12.277 -2.067 1.00 1.32 H new ATOM 0 HG12 VAL A 24 2.032 -13.989 -2.407 1.00 1.32 H new ATOM 0 HG13 VAL A 24 1.074 -13.029 -3.560 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -0.591 -11.574 -1.408 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.296 -12.297 -2.874 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -1.898 -12.774 -1.268 1.00 1.30 H new ATOM 364 N PRO A 25 1.220 -16.378 -3.211 1.00 0.61 N ATOM 365 CA PRO A 25 2.228 -17.438 -3.123 1.00 0.63 C ATOM 366 C PRO A 25 3.455 -16.992 -2.337 1.00 0.57 C ATOM 367 O PRO A 25 3.900 -15.851 -2.459 1.00 0.52 O ATOM 368 CB PRO A 25 2.600 -17.693 -4.583 1.00 0.72 C ATOM 369 CG PRO A 25 2.341 -16.397 -5.270 1.00 0.71 C ATOM 370 CD PRO A 25 1.175 -15.768 -4.556 1.00 0.65 C ATOM 0 HA PRO A 25 1.853 -18.320 -2.604 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.644 -17.991 -4.680 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.999 -18.495 -5.011 1.00 0.72 H new ATOM 0 HG2 PRO A 25 3.218 -15.751 -5.226 1.00 0.71 H new ATOM 0 HG3 PRO A 25 2.113 -16.554 -6.324 1.00 0.71 H new ATOM 0 HD2 PRO A 25 1.272 -14.683 -4.508 1.00 0.65 H new ATOM 0 HD3 PRO A 25 0.233 -15.981 -5.061 1.00 0.65 H new ATOM 378 N ALA A 26 3.997 -17.895 -1.529 1.00 0.61 N ATOM 379 CA ALA A 26 5.171 -17.586 -0.725 1.00 0.60 C ATOM 380 C ALA A 26 6.416 -17.457 -1.597 1.00 0.54 C ATOM 381 O ALA A 26 6.553 -18.152 -2.603 1.00 0.58 O ATOM 382 CB ALA A 26 5.379 -18.653 0.340 1.00 0.71 C ATOM 0 H ALA A 26 3.643 -18.845 -1.414 1.00 0.61 H new ATOM 0 HA ALA A 26 5.001 -16.627 -0.235 1.00 0.60 H new ATOM 0 HB1 ALA A 26 6.260 -18.408 0.933 1.00 0.71 H new ATOM 0 HB2 ALA A 26 4.505 -18.694 0.989 1.00 0.71 H new ATOM 0 HB3 ALA A 26 5.521 -19.622 -0.139 1.00 0.71 H new ATOM 388 N ALA A 27 7.322 -16.565 -1.202 1.00 0.50 N ATOM 389 CA ALA A 27 8.564 -16.342 -1.943 1.00 0.48 C ATOM 390 C ALA A 27 8.336 -15.512 -3.208 1.00 0.43 C ATOM 391 O ALA A 27 9.244 -15.358 -4.025 1.00 0.46 O ATOM 392 CB ALA A 27 9.220 -17.670 -2.299 1.00 0.55 C ATOM 0 H ALA A 27 7.220 -15.983 -0.371 1.00 0.50 H new ATOM 0 HA ALA A 27 9.230 -15.776 -1.292 1.00 0.48 H new ATOM 0 HB1 ALA A 27 10.142 -17.484 -2.850 1.00 0.55 H new ATOM 0 HB2 ALA A 27 9.447 -18.220 -1.386 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.541 -18.257 -2.917 1.00 0.55 H new ATOM 398 N ASN A 28 7.127 -14.975 -3.371 1.00 0.39 N ATOM 399 CA ASN A 28 6.807 -14.164 -4.542 1.00 0.36 C ATOM 400 C ASN A 28 6.540 -12.713 -4.148 1.00 0.30 C ATOM 401 O ASN A 28 6.374 -12.401 -2.970 1.00 0.29 O ATOM 402 CB ASN A 28 5.589 -14.739 -5.266 1.00 0.40 C ATOM 403 CG ASN A 28 5.598 -14.429 -6.751 1.00 0.77 C ATOM 404 OD1 ASN A 28 4.742 -13.697 -7.249 1.00 1.42 O ATOM 405 ND2 ASN A 28 6.567 -14.988 -7.467 1.00 1.36 N ATOM 0 H ASN A 28 6.358 -15.087 -2.710 1.00 0.39 H new ATOM 0 HA ASN A 28 7.666 -14.185 -5.212 1.00 0.36 H new ATOM 0 HB2 ASN A 28 5.562 -15.819 -5.124 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.680 -14.336 -4.819 1.00 0.40 H new ATOM 0 HD21 ASN A 28 6.623 -14.817 -8.471 1.00 1.36 H new ATOM 0 HD22 ASN A 28 7.256 -15.588 -7.013 1.00 1.36 H new ATOM 412 N THR A 29 6.497 -11.830 -5.143 1.00 0.30 N ATOM 413 CA THR A 29 6.245 -10.414 -4.896 1.00 0.28 C ATOM 414 C THR A 29 4.755 -10.157 -4.719 1.00 0.30 C ATOM 415 O THR A 29 3.925 -10.795 -5.369 1.00 0.33 O ATOM 416 CB THR A 29 6.776 -9.530 -6.043 1.00 0.32 C ATOM 417 OG1 THR A 29 5.795 -9.436 -7.083 1.00 0.96 O ATOM 418 CG2 THR A 29 8.072 -10.091 -6.609 1.00 0.92 C ATOM 0 H THR A 29 6.633 -12.070 -6.125 1.00 0.30 H new ATOM 0 HA THR A 29 6.776 -10.152 -3.981 1.00 0.28 H new ATOM 0 HB THR A 29 6.977 -8.537 -5.641 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.244 -9.317 -7.946 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.425 -9.449 -7.416 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.825 -10.132 -5.822 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.896 -11.095 -6.995 1.00 0.92 H new ATOM 426 N VAL A 30 4.415 -9.240 -3.821 1.00 0.33 N ATOM 427 CA VAL A 30 3.019 -8.928 -3.547 1.00 0.39 C ATOM 428 C VAL A 30 2.552 -7.657 -4.255 1.00 0.35 C ATOM 429 O VAL A 30 3.146 -6.589 -4.108 1.00 0.35 O ATOM 430 CB VAL A 30 2.767 -8.772 -2.038 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.283 -8.585 -1.766 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.313 -9.970 -1.279 1.00 0.57 C ATOM 0 H VAL A 30 5.085 -8.701 -3.272 1.00 0.33 H new ATOM 0 HA VAL A 30 2.446 -9.771 -3.934 1.00 0.39 H new ATOM 0 HB VAL A 30 3.292 -7.884 -1.687 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.121 -8.476 -0.694 1.00 0.56 H new ATOM 0 HG12 VAL A 30 0.929 -7.691 -2.279 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.734 -9.454 -2.130 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.125 -9.842 -0.213 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.820 -10.877 -1.628 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.386 -10.052 -1.451 1.00 0.57 H new ATOM 442 N LYS A 31 1.465 -7.795 -5.005 1.00 0.34 N ATOM 443 CA LYS A 31 0.879 -6.670 -5.727 1.00 0.33 C ATOM 444 C LYS A 31 -0.105 -5.931 -4.824 1.00 0.33 C ATOM 445 O LYS A 31 -1.090 -6.508 -4.365 1.00 0.38 O ATOM 446 CB LYS A 31 0.175 -7.154 -7.000 1.00 0.38 C ATOM 447 CG LYS A 31 -0.752 -6.124 -7.633 1.00 0.60 C ATOM 448 CD LYS A 31 -2.111 -6.107 -6.948 1.00 0.82 C ATOM 449 CE LYS A 31 -3.244 -6.244 -7.951 1.00 1.34 C ATOM 450 NZ LYS A 31 -4.518 -6.653 -7.298 1.00 1.98 N ATOM 0 H LYS A 31 0.969 -8.678 -5.130 1.00 0.34 H new ATOM 0 HA LYS A 31 1.676 -5.986 -6.018 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.930 -7.444 -7.731 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.401 -8.049 -6.765 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.298 -5.135 -7.569 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.879 -6.348 -8.692 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.165 -6.920 -6.224 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.227 -5.177 -6.392 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -3.389 -5.295 -8.467 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -2.972 -6.980 -8.708 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -5.018 -7.331 -7.907 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -4.311 -7.098 -6.381 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -5.116 -5.815 -7.149 1.00 1.98 H new ATOM 464 N PHE A 32 0.168 -4.655 -4.567 1.00 0.31 N ATOM 465 CA PHE A 32 -0.703 -3.863 -3.711 1.00 0.35 C ATOM 466 C PHE A 32 -1.209 -2.614 -4.429 1.00 0.32 C ATOM 467 O PHE A 32 -0.425 -1.768 -4.857 1.00 0.32 O ATOM 468 CB PHE A 32 0.035 -3.464 -2.428 1.00 0.44 C ATOM 469 CG PHE A 32 -0.844 -2.852 -1.367 1.00 0.90 C ATOM 470 CD1 PHE A 32 -2.229 -2.916 -1.457 1.00 1.64 C ATOM 471 CD2 PHE A 32 -0.281 -2.213 -0.273 1.00 1.21 C ATOM 472 CE1 PHE A 32 -3.028 -2.358 -0.480 1.00 2.28 C ATOM 473 CE2 PHE A 32 -1.078 -1.652 0.707 1.00 1.91 C ATOM 474 CZ PHE A 32 -2.453 -1.724 0.603 1.00 2.35 C ATOM 0 H PHE A 32 0.976 -4.154 -4.935 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.566 -4.479 -3.456 1.00 0.35 H new ATOM 0 HB2 PHE A 32 0.522 -4.347 -2.014 1.00 0.44 H new ATOM 0 HB3 PHE A 32 0.823 -2.755 -2.682 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -2.686 -3.409 -2.302 1.00 1.64 H new ATOM 0 HD2 PHE A 32 0.794 -2.153 -0.185 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -4.103 -2.417 -0.563 1.00 2.28 H new ATOM 0 HE2 PHE A 32 -0.625 -1.157 1.554 1.00 1.91 H new ATOM 0 HZ PHE A 32 -3.077 -1.285 1.367 1.00 2.35 H new ATOM 484 N ARG A 33 -2.526 -2.516 -4.557 1.00 0.36 N ATOM 485 CA ARG A 33 -3.150 -1.381 -5.225 1.00 0.39 C ATOM 486 C ARG A 33 -3.781 -0.428 -4.214 1.00 0.40 C ATOM 487 O ARG A 33 -4.458 -0.855 -3.280 1.00 0.43 O ATOM 488 CB ARG A 33 -4.206 -1.866 -6.219 1.00 0.47 C ATOM 489 CG ARG A 33 -3.782 -3.092 -7.009 1.00 0.80 C ATOM 490 CD ARG A 33 -2.444 -2.877 -7.702 1.00 0.53 C ATOM 491 NE ARG A 33 -2.605 -2.332 -9.046 1.00 1.09 N ATOM 492 CZ ARG A 33 -1.688 -2.441 -10.001 1.00 1.56 C ATOM 493 NH1 ARG A 33 -0.538 -3.055 -9.753 1.00 2.10 N ATOM 494 NH2 ARG A 33 -1.916 -1.931 -11.203 1.00 2.12 N ATOM 0 H ARG A 33 -3.185 -3.211 -4.206 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.374 -0.840 -5.766 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -5.125 -2.093 -5.678 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -4.436 -1.058 -6.914 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -3.712 -3.950 -6.340 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.544 -3.328 -7.752 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.832 -2.199 -7.107 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.908 -3.824 -7.757 1.00 0.53 H new ATOM 0 HE ARG A 33 -3.471 -1.839 -9.265 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -0.357 -3.444 -8.828 1.00 2.10 H new ATOM 0 HH12 ARG A 33 0.165 -3.138 -10.488 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -2.797 -1.454 -11.396 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -1.211 -2.016 -11.935 1.00 2.12 H new ATOM 508 N CYS A 34 -3.549 0.869 -4.408 1.00 0.39 N ATOM 509 CA CYS A 34 -4.092 1.887 -3.514 1.00 0.41 C ATOM 510 C CYS A 34 -4.248 3.227 -4.232 1.00 0.41 C ATOM 511 O CYS A 34 -3.577 4.203 -3.896 1.00 0.47 O ATOM 512 CB CYS A 34 -3.185 2.057 -2.292 1.00 0.44 C ATOM 513 SG CYS A 34 -3.506 0.863 -0.951 1.00 0.94 S ATOM 0 H CYS A 34 -2.989 1.238 -5.176 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.078 1.555 -3.189 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.146 1.961 -2.608 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -3.307 3.067 -1.901 1.00 0.44 H new ATOM 518 N PRO A 35 -5.139 3.290 -5.235 1.00 0.41 N ATOM 519 CA PRO A 35 -5.383 4.513 -6.003 1.00 0.44 C ATOM 520 C PRO A 35 -6.273 5.506 -5.257 1.00 0.34 C ATOM 521 O PRO A 35 -7.425 5.208 -4.943 1.00 0.34 O ATOM 522 CB PRO A 35 -6.095 3.997 -7.251 1.00 0.57 C ATOM 523 CG PRO A 35 -6.826 2.785 -6.787 1.00 0.54 C ATOM 524 CD PRO A 35 -5.980 2.170 -5.702 1.00 0.44 C ATOM 0 HA PRO A 35 -4.462 5.059 -6.207 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.779 4.743 -7.655 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.385 3.754 -8.042 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.814 3.048 -6.408 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.976 2.083 -7.608 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.594 1.767 -4.896 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.375 1.348 -6.084 1.00 0.44 H new ATOM 532 N ALA A 36 -5.731 6.689 -4.984 1.00 0.35 N ATOM 533 CA ALA A 36 -6.476 7.728 -4.283 1.00 0.33 C ATOM 534 C ALA A 36 -6.319 9.075 -4.979 1.00 0.32 C ATOM 535 O ALA A 36 -5.220 9.624 -5.050 1.00 0.38 O ATOM 536 CB ALA A 36 -6.014 7.822 -2.835 1.00 0.40 C ATOM 0 H ALA A 36 -4.779 6.951 -5.238 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.532 7.460 -4.299 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.578 8.601 -2.323 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.181 6.867 -2.337 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -4.952 8.065 -2.807 1.00 0.40 H new ATOM 542 N GLY A 37 -7.423 9.603 -5.500 1.00 0.33 N ATOM 543 CA GLY A 37 -7.378 10.879 -6.188 1.00 0.36 C ATOM 544 C GLY A 37 -7.221 12.050 -5.236 1.00 0.35 C ATOM 545 O GLY A 37 -7.995 12.197 -4.293 1.00 0.37 O ATOM 0 H GLY A 37 -8.346 9.170 -5.458 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.549 10.877 -6.896 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -8.292 11.007 -6.768 1.00 0.36 H new ATOM 549 N GLY A 38 -6.225 12.887 -5.490 1.00 0.36 N ATOM 550 CA GLY A 38 -5.984 14.042 -4.646 1.00 0.39 C ATOM 551 C GLY A 38 -4.952 14.971 -5.247 1.00 0.37 C ATOM 552 O GLY A 38 -4.775 14.994 -6.466 1.00 0.42 O ATOM 0 H GLY A 38 -5.576 12.786 -6.270 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.918 14.584 -4.496 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.647 13.711 -3.664 1.00 0.39 H new ATOM 556 N ASN A 39 -4.257 15.731 -4.408 1.00 0.40 N ATOM 557 CA ASN A 39 -3.235 16.641 -4.910 1.00 0.47 C ATOM 558 C ASN A 39 -2.000 15.861 -5.345 1.00 0.36 C ATOM 559 O ASN A 39 -1.910 14.654 -5.121 1.00 0.34 O ATOM 560 CB ASN A 39 -2.865 17.683 -3.858 1.00 0.70 C ATOM 561 CG ASN A 39 -3.385 19.063 -4.219 1.00 2.04 C ATOM 562 OD1 ASN A 39 -2.627 20.031 -4.288 1.00 2.41 O ATOM 563 ND2 ASN A 39 -4.687 19.159 -4.455 1.00 2.89 N ATOM 0 H ASN A 39 -4.379 15.736 -3.395 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.641 17.165 -5.775 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -3.271 17.383 -2.892 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -1.781 17.721 -3.750 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -5.095 20.060 -4.705 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -5.280 18.332 -4.387 1.00 2.89 H new ATOM 570 N PRO A 40 -1.031 16.534 -5.985 1.00 0.39 N ATOM 571 CA PRO A 40 0.194 15.886 -6.461 1.00 0.39 C ATOM 572 C PRO A 40 1.181 15.567 -5.341 1.00 0.34 C ATOM 573 O PRO A 40 2.275 15.066 -5.600 1.00 0.40 O ATOM 574 CB PRO A 40 0.785 16.920 -7.417 1.00 0.51 C ATOM 575 CG PRO A 40 0.308 18.230 -6.893 1.00 0.52 C ATOM 576 CD PRO A 40 -1.056 17.975 -6.310 1.00 0.53 C ATOM 0 HA PRO A 40 -0.016 14.920 -6.920 1.00 0.39 H new ATOM 0 HB2 PRO A 40 1.874 16.871 -7.431 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.446 16.754 -8.440 1.00 0.51 H new ATOM 0 HG2 PRO A 40 0.989 18.618 -6.136 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.259 18.973 -7.689 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -1.233 18.583 -5.423 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.847 18.212 -7.022 1.00 0.53 H new ATOM 584 N MET A 41 0.804 15.858 -4.095 1.00 0.31 N ATOM 585 CA MET A 41 1.686 15.591 -2.962 1.00 0.33 C ATOM 586 C MET A 41 1.026 14.691 -1.917 1.00 0.32 C ATOM 587 O MET A 41 0.634 15.157 -0.847 1.00 0.36 O ATOM 588 CB MET A 41 2.104 16.905 -2.307 1.00 0.39 C ATOM 589 CG MET A 41 3.390 16.794 -1.504 1.00 0.47 C ATOM 590 SD MET A 41 4.726 17.792 -2.192 1.00 1.30 S ATOM 591 CE MET A 41 6.038 16.576 -2.295 1.00 1.83 C ATOM 0 H MET A 41 -0.094 16.273 -3.848 1.00 0.31 H new ATOM 0 HA MET A 41 2.561 15.068 -3.349 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.230 17.664 -3.079 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.303 17.247 -1.652 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.201 17.106 -0.477 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.703 15.750 -1.468 1.00 0.47 H new ATOM 0 HE1 MET A 41 6.935 17.042 -2.704 1.00 1.83 H new ATOM 0 HE2 MET A 41 6.253 16.187 -1.300 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.726 15.758 -2.945 1.00 1.83 H new ATOM 601 N PRO A 42 0.899 13.388 -2.210 1.00 0.32 N ATOM 602 CA PRO A 42 0.297 12.420 -1.309 1.00 0.34 C ATOM 603 C PRO A 42 1.346 11.607 -0.550 1.00 0.35 C ATOM 604 O PRO A 42 2.228 11.006 -1.161 1.00 0.43 O ATOM 605 CB PRO A 42 -0.443 11.522 -2.293 1.00 0.40 C ATOM 606 CG PRO A 42 0.421 11.512 -3.522 1.00 0.42 C ATOM 607 CD PRO A 42 1.316 12.736 -3.455 1.00 0.36 C ATOM 0 HA PRO A 42 -0.321 12.877 -0.536 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.573 10.517 -1.892 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -1.438 11.909 -2.511 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.018 10.601 -3.564 1.00 0.42 H new ATOM 0 HG3 PRO A 42 -0.192 11.533 -4.423 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.371 12.463 -3.433 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.173 13.387 -4.318 1.00 0.36 H new ATOM 615 N THR A 43 1.243 11.572 0.777 1.00 0.32 N ATOM 616 CA THR A 43 2.192 10.806 1.583 1.00 0.35 C ATOM 617 C THR A 43 1.575 9.471 1.986 1.00 0.37 C ATOM 618 O THR A 43 0.607 9.428 2.745 1.00 0.48 O ATOM 619 CB THR A 43 2.650 11.570 2.852 1.00 0.41 C ATOM 620 OG1 THR A 43 1.858 11.188 3.984 1.00 0.94 O ATOM 621 CG2 THR A 43 2.560 13.078 2.654 1.00 1.00 C ATOM 0 H THR A 43 0.523 12.058 1.311 1.00 0.32 H new ATOM 0 HA THR A 43 3.074 10.642 0.965 1.00 0.35 H new ATOM 0 HB THR A 43 3.692 11.305 3.034 1.00 0.41 H new ATOM 0 HG1 THR A 43 0.972 10.899 3.681 1.00 0.94 H new ATOM 0 HG21 THR A 43 2.888 13.584 3.562 1.00 1.00 H new ATOM 0 HG22 THR A 43 3.199 13.374 1.822 1.00 1.00 H new ATOM 0 HG23 THR A 43 1.529 13.355 2.436 1.00 1.00 H new ATOM 629 N MET A 44 2.124 8.382 1.456 1.00 0.35 N ATOM 630 CA MET A 44 1.600 7.054 1.754 1.00 0.41 C ATOM 631 C MET A 44 2.545 6.248 2.636 1.00 0.38 C ATOM 632 O MET A 44 3.756 6.231 2.425 1.00 0.40 O ATOM 633 CB MET A 44 1.309 6.279 0.463 1.00 0.49 C ATOM 634 CG MET A 44 2.189 6.679 -0.714 1.00 0.86 C ATOM 635 SD MET A 44 3.937 6.352 -0.419 1.00 1.82 S ATOM 636 CE MET A 44 4.641 6.838 -1.993 1.00 2.30 C ATOM 0 H MET A 44 2.924 8.392 0.824 1.00 0.35 H new ATOM 0 HA MET A 44 0.670 7.200 2.304 1.00 0.41 H new ATOM 0 HB2 MET A 44 1.439 5.214 0.654 1.00 0.49 H new ATOM 0 HB3 MET A 44 0.265 6.429 0.189 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.867 6.137 -1.603 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.052 7.740 -0.920 1.00 0.86 H new ATOM 0 HE1 MET A 44 5.699 6.578 -2.014 1.00 2.30 H new ATOM 0 HE2 MET A 44 4.124 6.318 -2.799 1.00 2.30 H new ATOM 0 HE3 MET A 44 4.529 7.914 -2.125 1.00 2.30 H new ATOM 646 N ARG A 45 1.962 5.569 3.620 1.00 0.36 N ATOM 647 CA ARG A 45 2.722 4.735 4.541 1.00 0.34 C ATOM 648 C ARG A 45 2.358 3.271 4.333 1.00 0.32 C ATOM 649 O ARG A 45 1.215 2.950 3.996 1.00 0.34 O ATOM 650 CB ARG A 45 2.447 5.147 5.989 1.00 0.37 C ATOM 651 CG ARG A 45 3.496 6.084 6.565 1.00 0.66 C ATOM 652 CD ARG A 45 2.862 7.317 7.186 1.00 0.88 C ATOM 653 NE ARG A 45 3.856 8.331 7.527 1.00 1.57 N ATOM 654 CZ ARG A 45 3.548 9.579 7.867 1.00 2.04 C ATOM 655 NH1 ARG A 45 2.280 9.961 7.915 1.00 2.22 N ATOM 656 NH2 ARG A 45 4.509 10.443 8.161 1.00 2.89 N ATOM 0 H ARG A 45 0.958 5.582 3.799 1.00 0.36 H new ATOM 0 HA ARG A 45 3.785 4.870 4.341 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.472 5.631 6.041 1.00 0.37 H new ATOM 0 HB3 ARG A 45 2.392 4.252 6.608 1.00 0.37 H new ATOM 0 HG2 ARG A 45 4.082 5.557 7.318 1.00 0.66 H new ATOM 0 HG3 ARG A 45 4.187 6.386 5.778 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.136 7.740 6.492 1.00 0.88 H new ATOM 0 HD3 ARG A 45 2.314 7.030 8.084 1.00 0.88 H new ATOM 0 HE ARG A 45 4.841 8.067 7.503 1.00 1.57 H new ATOM 0 HH11 ARG A 45 1.539 9.297 7.691 1.00 2.22 H new ATOM 0 HH12 ARG A 45 2.045 10.919 8.176 1.00 2.22 H new ATOM 0 HH21 ARG A 45 5.486 10.151 8.127 1.00 2.89 H new ATOM 0 HH22 ARG A 45 4.272 11.400 8.422 1.00 2.89 H new ATOM 670 N TRP A 46 3.327 2.384 4.531 1.00 0.31 N ATOM 671 CA TRP A 46 3.091 0.958 4.352 1.00 0.31 C ATOM 672 C TRP A 46 3.139 0.213 5.681 1.00 0.26 C ATOM 673 O TRP A 46 4.167 0.198 6.366 1.00 0.29 O ATOM 674 CB TRP A 46 4.120 0.368 3.388 1.00 0.39 C ATOM 675 CG TRP A 46 4.393 1.243 2.204 1.00 0.70 C ATOM 676 CD1 TRP A 46 5.617 1.643 1.747 1.00 1.52 C ATOM 677 CD2 TRP A 46 3.425 1.828 1.326 1.00 1.34 C ATOM 678 NE1 TRP A 46 5.467 2.441 0.638 1.00 1.62 N ATOM 679 CE2 TRP A 46 4.131 2.569 0.361 1.00 1.46 C ATOM 680 CE3 TRP A 46 2.028 1.796 1.261 1.00 2.43 C ATOM 681 CZ2 TRP A 46 3.490 3.272 -0.656 1.00 2.14 C ATOM 682 CZ3 TRP A 46 1.393 2.494 0.251 1.00 3.28 C ATOM 683 CH2 TRP A 46 2.124 3.223 -0.695 1.00 3.02 C ATOM 0 H TRP A 46 4.277 2.626 4.814 1.00 0.31 H new ATOM 0 HA TRP A 46 2.092 0.838 3.932 1.00 0.31 H new ATOM 0 HB2 TRP A 46 5.052 0.194 3.925 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.767 -0.603 3.040 1.00 0.39 H new ATOM 0 HD1 TRP A 46 6.563 1.372 2.192 1.00 1.52 H new ATOM 0 HE1 TRP A 46 6.226 2.868 0.108 1.00 1.62 H new ATOM 0 HE3 TRP A 46 1.456 1.236 1.986 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 4.051 3.835 -1.387 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 0.315 2.477 0.190 1.00 3.28 H new ATOM 0 HH2 TRP A 46 1.598 3.758 -1.472 1.00 3.02 H new ATOM 694 N LEU A 47 2.020 -0.418 6.024 1.00 0.25 N ATOM 695 CA LEU A 47 1.913 -1.187 7.256 1.00 0.26 C ATOM 696 C LEU A 47 1.335 -2.567 6.961 1.00 0.24 C ATOM 697 O LEU A 47 0.263 -2.690 6.370 1.00 0.31 O ATOM 698 CB LEU A 47 1.037 -0.452 8.274 1.00 0.37 C ATOM 699 CG LEU A 47 0.895 -1.147 9.629 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.135 -0.161 10.762 1.00 1.58 C ATOM 701 CD2 LEU A 47 -0.479 -1.787 9.758 1.00 1.53 C ATOM 0 H LEU A 47 1.170 -0.410 5.460 1.00 0.25 H new ATOM 0 HA LEU A 47 2.910 -1.304 7.681 1.00 0.26 H new ATOM 0 HB2 LEU A 47 1.451 0.543 8.435 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.044 -0.318 7.846 1.00 0.37 H new ATOM 0 HG LEU A 47 1.647 -1.933 9.694 1.00 0.80 H new ATOM 0 HD11 LEU A 47 1.030 -0.673 11.718 1.00 1.58 H new ATOM 0 HD12 LEU A 47 2.141 0.250 10.679 1.00 1.58 H new ATOM 0 HD13 LEU A 47 0.406 0.647 10.701 1.00 1.58 H new ATOM 0 HD21 LEU A 47 -0.563 -2.277 10.728 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -1.248 -1.019 9.672 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -0.613 -2.524 8.966 1.00 1.53 H new ATOM 713 N LYS A 48 2.064 -3.600 7.360 1.00 0.22 N ATOM 714 CA LYS A 48 1.638 -4.975 7.121 1.00 0.25 C ATOM 715 C LYS A 48 1.548 -5.753 8.430 1.00 0.26 C ATOM 716 O LYS A 48 2.562 -6.028 9.071 1.00 0.31 O ATOM 717 CB LYS A 48 2.603 -5.686 6.156 1.00 0.34 C ATOM 718 CG LYS A 48 3.885 -4.913 5.854 1.00 0.41 C ATOM 719 CD LYS A 48 4.793 -5.688 4.914 1.00 0.88 C ATOM 720 CE LYS A 48 6.038 -6.188 5.628 1.00 0.73 C ATOM 721 NZ LYS A 48 7.239 -5.378 5.283 1.00 1.37 N ATOM 0 H LYS A 48 2.954 -3.514 7.851 1.00 0.22 H new ATOM 0 HA LYS A 48 0.648 -4.941 6.666 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.870 -6.655 6.578 1.00 0.34 H new ATOM 0 HB3 LYS A 48 2.082 -5.879 5.219 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.634 -3.950 5.408 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.414 -4.706 6.784 1.00 0.41 H new ATOM 0 HD2 LYS A 48 4.248 -6.534 4.495 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.083 -5.051 4.079 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.876 -6.156 6.705 1.00 0.73 H new ATOM 0 HE3 LYS A 48 6.215 -7.230 5.363 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 8.095 -5.872 5.606 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 7.284 -5.245 4.252 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 7.178 -4.450 5.749 1.00 1.37 H new ATOM 735 N ASN A 49 0.327 -6.104 8.820 1.00 0.28 N ATOM 736 CA ASN A 49 0.102 -6.850 10.055 1.00 0.35 C ATOM 737 C ASN A 49 0.843 -6.206 11.226 1.00 0.39 C ATOM 738 O ASN A 49 1.246 -6.888 12.168 1.00 0.50 O ATOM 739 CB ASN A 49 0.555 -8.302 9.893 1.00 0.38 C ATOM 740 CG ASN A 49 -0.364 -9.275 10.607 1.00 0.75 C ATOM 741 OD1 ASN A 49 -0.751 -9.053 11.754 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.717 -10.362 9.930 1.00 1.32 N ATOM 0 H ASN A 49 -0.522 -5.884 8.300 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.967 -6.831 10.267 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.592 -8.552 8.833 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.568 -8.410 10.282 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -1.333 -11.053 10.359 1.00 1.32 H new ATOM 0 HD22 ASN A 49 -0.373 -10.506 8.981 1.00 1.32 H new ATOM 749 N GLY A 50 1.025 -4.892 11.155 1.00 0.38 N ATOM 750 CA GLY A 50 1.724 -4.180 12.211 1.00 0.45 C ATOM 751 C GLY A 50 3.164 -3.854 11.847 1.00 0.48 C ATOM 752 O GLY A 50 3.849 -3.144 12.583 1.00 0.68 O ATOM 0 H GLY A 50 0.701 -4.306 10.385 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.192 -3.255 12.434 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.711 -4.782 13.120 1.00 0.45 H new ATOM 756 N LYS A 51 3.623 -4.373 10.710 1.00 0.36 N ATOM 757 CA LYS A 51 4.986 -4.134 10.251 1.00 0.39 C ATOM 758 C LYS A 51 5.031 -2.954 9.286 1.00 0.38 C ATOM 759 O LYS A 51 4.312 -2.925 8.291 1.00 0.39 O ATOM 760 CB LYS A 51 5.538 -5.386 9.561 1.00 0.42 C ATOM 761 CG LYS A 51 7.011 -5.651 9.843 1.00 0.53 C ATOM 762 CD LYS A 51 7.875 -5.399 8.613 1.00 0.75 C ATOM 763 CE LYS A 51 8.827 -6.559 8.345 1.00 0.82 C ATOM 764 NZ LYS A 51 9.681 -6.861 9.527 1.00 1.36 N ATOM 0 H LYS A 51 3.068 -4.963 10.090 1.00 0.36 H new ATOM 0 HA LYS A 51 5.602 -3.900 11.119 1.00 0.39 H new ATOM 0 HB2 LYS A 51 4.956 -6.251 9.881 1.00 0.42 H new ATOM 0 HB3 LYS A 51 5.397 -5.287 8.485 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.346 -5.012 10.660 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.139 -6.682 10.172 1.00 0.53 H new ATOM 0 HD2 LYS A 51 7.235 -5.245 7.744 1.00 0.75 H new ATOM 0 HD3 LYS A 51 8.448 -4.483 8.753 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.252 -7.445 8.076 1.00 0.82 H new ATOM 0 HE3 LYS A 51 9.461 -6.319 7.491 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.551 -7.336 9.214 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.926 -5.975 10.014 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 9.163 -7.483 10.180 1.00 1.36 H new ATOM 778 N GLU A 52 5.901 -1.998 9.565 1.00 0.38 N ATOM 779 CA GLU A 52 6.056 -0.840 8.697 1.00 0.39 C ATOM 780 C GLU A 52 7.347 -0.988 7.912 1.00 0.43 C ATOM 781 O GLU A 52 8.340 -1.467 8.453 1.00 0.49 O ATOM 782 CB GLU A 52 6.065 0.456 9.509 1.00 0.44 C ATOM 783 CG GLU A 52 4.831 0.637 10.376 1.00 1.03 C ATOM 784 CD GLU A 52 5.166 1.110 11.777 1.00 1.38 C ATOM 785 OE1 GLU A 52 6.025 0.479 12.428 1.00 1.90 O ATOM 786 OE2 GLU A 52 4.569 2.113 12.223 1.00 1.71 O ATOM 0 H GLU A 52 6.510 -1.999 10.383 1.00 0.38 H new ATOM 0 HA GLU A 52 5.212 -0.789 8.010 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.951 0.471 10.144 1.00 0.44 H new ATOM 0 HB3 GLU A 52 6.147 1.302 8.827 1.00 0.44 H new ATOM 0 HG2 GLU A 52 4.162 1.357 9.904 1.00 1.03 H new ATOM 0 HG3 GLU A 52 4.291 -0.308 10.435 1.00 1.03 H new ATOM 793 N PHE A 53 7.341 -0.587 6.645 1.00 0.43 N ATOM 794 CA PHE A 53 8.543 -0.708 5.825 1.00 0.50 C ATOM 795 C PHE A 53 8.761 0.515 4.940 1.00 0.56 C ATOM 796 O PHE A 53 7.897 0.897 4.150 1.00 0.70 O ATOM 797 CB PHE A 53 8.466 -1.976 4.960 1.00 0.57 C ATOM 798 CG PHE A 53 9.414 -3.093 5.350 1.00 1.46 C ATOM 799 CD1 PHE A 53 10.068 -3.113 6.581 1.00 2.42 C ATOM 800 CD2 PHE A 53 9.643 -4.139 4.469 1.00 1.99 C ATOM 801 CE1 PHE A 53 10.922 -4.146 6.912 1.00 3.55 C ATOM 802 CE2 PHE A 53 10.501 -5.173 4.800 1.00 3.14 C ATOM 803 CZ PHE A 53 11.139 -5.175 6.022 1.00 3.85 C ATOM 0 H PHE A 53 6.534 -0.183 6.170 1.00 0.43 H new ATOM 0 HA PHE A 53 9.394 -0.777 6.502 1.00 0.50 H new ATOM 0 HB2 PHE A 53 7.446 -2.359 4.998 1.00 0.57 H new ATOM 0 HB3 PHE A 53 8.664 -1.700 3.924 1.00 0.57 H new ATOM 0 HD1 PHE A 53 9.905 -2.310 7.285 1.00 2.42 H new ATOM 0 HD2 PHE A 53 9.145 -4.147 3.511 1.00 1.99 H new ATOM 0 HE1 PHE A 53 11.421 -4.147 7.870 1.00 3.55 H new ATOM 0 HE2 PHE A 53 10.671 -5.978 4.101 1.00 3.14 H new ATOM 0 HZ PHE A 53 11.808 -5.982 6.281 1.00 3.85 H new ATOM 813 N LYS A 54 9.945 1.100 5.068 1.00 0.64 N ATOM 814 CA LYS A 54 10.341 2.260 4.280 1.00 0.77 C ATOM 815 C LYS A 54 11.835 2.154 3.985 1.00 1.29 C ATOM 816 O LYS A 54 12.242 1.445 3.055 1.00 1.12 O ATOM 817 CB LYS A 54 10.014 3.560 5.023 1.00 0.86 C ATOM 818 CG LYS A 54 10.536 4.806 4.328 1.00 1.43 C ATOM 819 CD LYS A 54 9.702 6.028 4.674 1.00 1.82 C ATOM 820 CE LYS A 54 10.571 7.174 5.165 1.00 2.44 C ATOM 821 NZ LYS A 54 10.085 8.493 4.677 1.00 3.19 N ATOM 0 H LYS A 54 10.660 0.783 5.723 1.00 0.64 H new ATOM 0 HA LYS A 54 9.785 2.279 3.343 1.00 0.77 H new ATOM 0 HB2 LYS A 54 8.933 3.643 5.135 1.00 0.86 H new ATOM 0 HB3 LYS A 54 10.435 3.511 6.027 1.00 0.86 H new ATOM 0 HG2 LYS A 54 11.573 4.978 4.618 1.00 1.43 H new ATOM 0 HG3 LYS A 54 10.528 4.652 3.249 1.00 1.43 H new ATOM 0 HD2 LYS A 54 9.140 6.347 3.796 1.00 1.82 H new ATOM 0 HD3 LYS A 54 8.974 5.767 5.442 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.588 7.175 6.255 1.00 2.44 H new ATOM 0 HE3 LYS A 54 11.597 7.020 4.831 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 10.706 9.246 5.035 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 10.093 8.503 3.637 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 9.115 8.653 5.017 1.00 3.19 H new ATOM 835 N GLN A 55 12.674 2.792 4.805 1.00 2.12 N ATOM 836 CA GLN A 55 14.109 2.676 4.613 1.00 2.84 C ATOM 837 C GLN A 55 14.487 1.198 4.674 1.00 2.74 C ATOM 838 O GLN A 55 15.477 0.766 4.084 1.00 3.04 O ATOM 839 CB GLN A 55 14.866 3.461 5.687 1.00 3.80 C ATOM 840 CG GLN A 55 14.721 2.876 7.082 1.00 4.05 C ATOM 841 CD GLN A 55 15.085 3.868 8.170 1.00 4.76 C ATOM 842 OE1 GLN A 55 14.869 5.070 8.028 1.00 5.13 O ATOM 843 NE2 GLN A 55 15.641 3.364 9.266 1.00 5.27 N ATOM 0 H GLN A 55 12.387 3.379 5.588 1.00 2.12 H new ATOM 0 HA GLN A 55 14.382 3.092 3.643 1.00 2.84 H new ATOM 0 HB2 GLN A 55 15.923 3.494 5.424 1.00 3.80 H new ATOM 0 HB3 GLN A 55 14.507 4.490 5.694 1.00 3.80 H new ATOM 0 HG2 GLN A 55 13.693 2.543 7.228 1.00 4.05 H new ATOM 0 HG3 GLN A 55 15.357 1.995 7.171 1.00 4.05 H new ATOM 0 HE21 GLN A 55 15.802 2.360 9.341 1.00 5.27 H new ATOM 0 HE22 GLN A 55 15.907 3.981 10.033 1.00 5.27 H new ATOM 852 N GLU A 56 13.640 0.422 5.360 1.00 2.55 N ATOM 853 CA GLU A 56 13.823 -1.011 5.471 1.00 2.90 C ATOM 854 C GLU A 56 13.011 -1.706 4.381 1.00 2.31 C ATOM 855 O GLU A 56 12.238 -2.623 4.655 1.00 2.87 O ATOM 856 CB GLU A 56 13.382 -1.503 6.852 1.00 3.47 C ATOM 857 CG GLU A 56 13.808 -0.588 7.990 1.00 4.30 C ATOM 858 CD GLU A 56 13.824 -1.295 9.331 1.00 5.06 C ATOM 859 OE1 GLU A 56 12.751 -1.383 9.967 1.00 5.55 O ATOM 860 OE2 GLU A 56 14.907 -1.757 9.746 1.00 5.47 O ATOM 0 H GLU A 56 12.817 0.776 5.847 1.00 2.55 H new ATOM 0 HA GLU A 56 14.880 -1.248 5.347 1.00 2.90 H new ATOM 0 HB2 GLU A 56 12.297 -1.602 6.864 1.00 3.47 H new ATOM 0 HB3 GLU A 56 13.794 -2.497 7.023 1.00 3.47 H new ATOM 0 HG2 GLU A 56 14.802 -0.192 7.780 1.00 4.30 H new ATOM 0 HG3 GLU A 56 13.129 0.263 8.040 1.00 4.30 H new ATOM 867 N HIS A 57 13.186 -1.245 3.141 1.00 1.41 N ATOM 868 CA HIS A 57 12.466 -1.798 1.993 1.00 1.04 C ATOM 869 C HIS A 57 12.411 -3.322 2.054 1.00 0.97 C ATOM 870 O HIS A 57 13.178 -3.953 2.781 1.00 1.34 O ATOM 871 CB HIS A 57 13.129 -1.353 0.688 1.00 1.30 C ATOM 872 CG HIS A 57 14.580 -1.720 0.601 1.00 1.65 C ATOM 873 ND1 HIS A 57 15.224 -2.475 1.557 1.00 2.34 N ATOM 874 CD2 HIS A 57 15.511 -1.429 -0.338 1.00 2.26 C ATOM 875 CE1 HIS A 57 16.490 -2.632 1.212 1.00 2.86 C ATOM 876 NE2 HIS A 57 16.689 -2.008 0.067 1.00 2.77 N ATOM 0 H HIS A 57 13.824 -0.485 2.906 1.00 1.41 H new ATOM 0 HA HIS A 57 11.445 -1.419 2.026 1.00 1.04 H new ATOM 0 HB2 HIS A 57 12.598 -1.801 -0.152 1.00 1.30 H new ATOM 0 HB3 HIS A 57 13.029 -0.272 0.589 1.00 1.30 H new ATOM 0 HD1 HIS A 57 14.791 -2.854 2.399 1.00 2.34 H new ATOM 0 HD2 HIS A 57 15.356 -0.850 -1.237 1.00 2.26 H new ATOM 0 HE1 HIS A 57 17.235 -3.178 1.772 1.00 2.86 H new ATOM 885 N ARG A 58 11.469 -3.904 1.318 1.00 1.00 N ATOM 886 CA ARG A 58 11.282 -5.350 1.325 1.00 0.92 C ATOM 887 C ARG A 58 12.317 -6.050 0.457 1.00 0.69 C ATOM 888 O ARG A 58 12.713 -5.555 -0.602 1.00 0.78 O ATOM 889 CB ARG A 58 9.876 -5.701 0.837 1.00 1.23 C ATOM 890 CG ARG A 58 9.154 -6.706 1.719 1.00 1.36 C ATOM 891 CD ARG A 58 7.650 -6.652 1.510 1.00 1.75 C ATOM 892 NE ARG A 58 6.929 -7.424 2.518 1.00 2.44 N ATOM 893 CZ ARG A 58 5.622 -7.655 2.472 1.00 3.22 C ATOM 894 NH1 ARG A 58 4.892 -7.162 1.480 1.00 3.53 N ATOM 895 NH2 ARG A 58 5.040 -8.378 3.420 1.00 3.98 N ATOM 0 H ARG A 58 10.825 -3.397 0.711 1.00 1.00 H new ATOM 0 HA ARG A 58 11.409 -5.696 2.351 1.00 0.92 H new ATOM 0 HB2 ARG A 58 9.283 -4.788 0.781 1.00 1.23 H new ATOM 0 HB3 ARG A 58 9.942 -6.101 -0.175 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.517 -7.710 1.500 1.00 1.36 H new ATOM 0 HG3 ARG A 58 9.384 -6.505 2.765 1.00 1.36 H new ATOM 0 HD2 ARG A 58 7.317 -5.615 1.541 1.00 1.75 H new ATOM 0 HD3 ARG A 58 7.408 -7.035 0.519 1.00 1.75 H new ATOM 0 HE ARG A 58 7.459 -7.807 3.301 1.00 2.44 H new ATOM 0 HH11 ARG A 58 5.334 -6.604 0.750 1.00 3.53 H new ATOM 0 HH12 ARG A 58 3.888 -7.341 1.447 1.00 3.53 H new ATOM 0 HH21 ARG A 58 5.597 -8.758 4.186 1.00 3.98 H new ATOM 0 HH22 ARG A 58 4.036 -8.554 3.383 1.00 3.98 H new ATOM 909 N ILE A 59 12.757 -7.212 0.932 1.00 0.67 N ATOM 910 CA ILE A 59 13.759 -8.011 0.241 1.00 0.66 C ATOM 911 C ILE A 59 13.290 -8.449 -1.134 1.00 0.59 C ATOM 912 O ILE A 59 12.342 -9.219 -1.267 1.00 0.57 O ATOM 913 CB ILE A 59 14.150 -9.264 1.058 1.00 0.95 C ATOM 914 CG1 ILE A 59 12.928 -9.872 1.764 1.00 1.05 C ATOM 915 CG2 ILE A 59 15.234 -8.921 2.069 1.00 1.16 C ATOM 916 CD1 ILE A 59 13.164 -11.276 2.276 1.00 1.64 C ATOM 0 H ILE A 59 12.428 -7.624 1.805 1.00 0.67 H new ATOM 0 HA ILE A 59 14.631 -7.367 0.128 1.00 0.66 H new ATOM 0 HB ILE A 59 14.541 -10.009 0.365 1.00 0.95 H new ATOM 0 HG12 ILE A 59 12.645 -9.232 2.600 1.00 1.05 H new ATOM 0 HG13 ILE A 59 12.086 -9.883 1.072 1.00 1.05 H new ATOM 0 HG21 ILE A 59 15.498 -9.814 2.636 1.00 1.16 H new ATOM 0 HG22 ILE A 59 16.115 -8.550 1.546 1.00 1.16 H new ATOM 0 HG23 ILE A 59 14.866 -8.154 2.750 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.260 -11.642 2.763 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.417 -11.930 1.441 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.985 -11.269 2.993 1.00 1.64 H new ATOM 928 N GLY A 60 13.976 -7.959 -2.154 1.00 0.70 N ATOM 929 CA GLY A 60 13.629 -8.307 -3.510 1.00 0.77 C ATOM 930 C GLY A 60 13.589 -7.098 -4.413 1.00 0.74 C ATOM 931 O GLY A 60 13.977 -7.177 -5.578 1.00 0.79 O ATOM 0 H GLY A 60 14.769 -7.324 -2.064 1.00 0.70 H new ATOM 0 HA2 GLY A 60 14.353 -9.024 -3.897 1.00 0.77 H new ATOM 0 HA3 GLY A 60 12.656 -8.799 -3.520 1.00 0.77 H new ATOM 935 N GLY A 61 13.116 -5.974 -3.884 1.00 0.70 N ATOM 936 CA GLY A 61 13.039 -4.766 -4.682 1.00 0.72 C ATOM 937 C GLY A 61 11.785 -3.968 -4.385 1.00 0.74 C ATOM 938 O GLY A 61 10.675 -4.415 -4.672 1.00 1.20 O ATOM 0 H GLY A 61 12.787 -5.879 -2.923 1.00 0.70 H new ATOM 0 HA2 GLY A 61 13.916 -4.148 -4.490 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.060 -5.028 -5.740 1.00 0.72 H new ATOM 942 N TYR A 62 11.962 -2.787 -3.804 1.00 0.69 N ATOM 943 CA TYR A 62 10.839 -1.930 -3.460 1.00 0.84 C ATOM 944 C TYR A 62 10.522 -0.973 -4.609 1.00 0.73 C ATOM 945 O TYR A 62 11.275 -0.037 -4.877 1.00 0.97 O ATOM 946 CB TYR A 62 11.164 -1.156 -2.173 1.00 1.36 C ATOM 947 CG TYR A 62 10.310 0.071 -1.944 1.00 1.92 C ATOM 948 CD1 TYR A 62 8.927 0.011 -2.057 1.00 2.32 C ATOM 949 CD2 TYR A 62 10.890 1.289 -1.619 1.00 2.43 C ATOM 950 CE1 TYR A 62 8.147 1.131 -1.852 1.00 3.05 C ATOM 951 CE2 TYR A 62 10.119 2.413 -1.412 1.00 3.07 C ATOM 952 CZ TYR A 62 8.746 2.330 -1.530 1.00 3.35 C ATOM 953 OH TYR A 62 7.971 3.449 -1.325 1.00 4.10 O ATOM 0 H TYR A 62 12.875 -2.403 -3.562 1.00 0.69 H new ATOM 0 HA TYR A 62 9.955 -2.545 -3.289 1.00 0.84 H new ATOM 0 HB2 TYR A 62 11.048 -1.827 -1.322 1.00 1.36 H new ATOM 0 HB3 TYR A 62 12.211 -0.854 -2.201 1.00 1.36 H new ATOM 0 HD1 TYR A 62 8.455 -0.927 -2.309 1.00 2.32 H new ATOM 0 HD2 TYR A 62 11.964 1.358 -1.527 1.00 2.43 H new ATOM 0 HE1 TYR A 62 7.073 1.068 -1.943 1.00 3.05 H new ATOM 0 HE2 TYR A 62 10.586 3.353 -1.159 1.00 3.07 H new ATOM 0 HH TYR A 62 8.547 4.210 -1.105 1.00 4.10 H new ATOM 963 N LYS A 63 9.400 -1.214 -5.275 1.00 0.66 N ATOM 964 CA LYS A 63 8.976 -0.372 -6.387 1.00 0.78 C ATOM 965 C LYS A 63 7.608 0.241 -6.105 1.00 0.67 C ATOM 966 O LYS A 63 6.690 -0.442 -5.654 1.00 0.54 O ATOM 967 CB LYS A 63 8.933 -1.183 -7.683 1.00 1.11 C ATOM 968 CG LYS A 63 10.303 -1.407 -8.302 1.00 1.28 C ATOM 969 CD LYS A 63 10.207 -2.203 -9.592 1.00 1.83 C ATOM 970 CE LYS A 63 9.948 -3.676 -9.321 1.00 2.36 C ATOM 971 NZ LYS A 63 11.113 -4.524 -9.697 1.00 3.18 N ATOM 0 H LYS A 63 8.767 -1.986 -5.065 1.00 0.66 H new ATOM 0 HA LYS A 63 9.700 0.434 -6.502 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.471 -2.150 -7.483 1.00 1.11 H new ATOM 0 HB3 LYS A 63 8.297 -0.669 -8.403 1.00 1.11 H new ATOM 0 HG2 LYS A 63 10.775 -0.445 -8.501 1.00 1.28 H new ATOM 0 HG3 LYS A 63 10.942 -1.935 -7.594 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.405 -1.800 -10.211 1.00 1.83 H new ATOM 0 HD3 LYS A 63 11.132 -2.093 -10.158 1.00 1.83 H new ATOM 0 HE2 LYS A 63 9.723 -3.816 -8.264 1.00 2.36 H new ATOM 0 HE3 LYS A 63 9.069 -3.999 -9.879 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 10.896 -5.521 -9.497 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 11.312 -4.410 -10.711 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 11.946 -4.234 -9.146 1.00 3.18 H new ATOM 985 N VAL A 64 7.482 1.538 -6.372 1.00 0.81 N ATOM 986 CA VAL A 64 6.227 2.243 -6.145 1.00 0.77 C ATOM 987 C VAL A 64 5.902 3.179 -7.303 1.00 0.82 C ATOM 988 O VAL A 64 6.782 3.859 -7.830 1.00 0.89 O ATOM 989 CB VAL A 64 6.270 3.057 -4.838 1.00 0.85 C ATOM 990 CG1 VAL A 64 7.426 4.044 -4.861 1.00 1.49 C ATOM 991 CG2 VAL A 64 4.948 3.777 -4.611 1.00 1.71 C ATOM 0 H VAL A 64 8.232 2.120 -6.745 1.00 0.81 H new ATOM 0 HA VAL A 64 5.448 1.484 -6.068 1.00 0.77 H new ATOM 0 HB VAL A 64 6.428 2.368 -4.008 1.00 0.85 H new ATOM 0 HG11 VAL A 64 7.440 4.610 -3.929 1.00 1.49 H new ATOM 0 HG12 VAL A 64 8.365 3.502 -4.970 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.303 4.729 -5.700 1.00 1.49 H new ATOM 0 HG21 VAL A 64 4.998 4.346 -3.683 1.00 1.71 H new ATOM 0 HG22 VAL A 64 4.755 4.455 -5.443 1.00 1.71 H new ATOM 0 HG23 VAL A 64 4.142 3.046 -4.545 1.00 1.71 H new ATOM 1001 N ARG A 65 4.632 3.211 -7.691 1.00 0.82 N ATOM 1002 CA ARG A 65 4.191 4.064 -8.785 1.00 0.92 C ATOM 1003 C ARG A 65 4.217 5.532 -8.370 1.00 1.03 C ATOM 1004 O ARG A 65 3.846 5.876 -7.248 1.00 1.18 O ATOM 1005 CB ARG A 65 2.782 3.674 -9.234 1.00 0.96 C ATOM 1006 CG ARG A 65 2.724 2.339 -9.960 1.00 1.51 C ATOM 1007 CD ARG A 65 2.657 2.529 -11.466 1.00 2.02 C ATOM 1008 NE ARG A 65 3.927 2.994 -12.016 1.00 2.60 N ATOM 1009 CZ ARG A 65 4.949 2.192 -12.293 1.00 3.22 C ATOM 1010 NH1 ARG A 65 4.851 0.888 -12.070 1.00 3.52 N ATOM 1011 NH2 ARG A 65 6.071 2.693 -12.792 1.00 3.99 N ATOM 0 H ARG A 65 3.891 2.656 -7.263 1.00 0.82 H new ATOM 0 HA ARG A 65 4.878 3.926 -9.620 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.130 3.633 -8.362 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.390 4.452 -9.889 1.00 0.96 H new ATOM 0 HG2 ARG A 65 3.603 1.746 -9.705 1.00 1.51 H new ATOM 0 HG3 ARG A 65 1.852 1.778 -9.623 1.00 1.51 H new ATOM 0 HD2 ARG A 65 2.381 1.586 -11.938 1.00 2.02 H new ATOM 0 HD3 ARG A 65 1.873 3.247 -11.706 1.00 2.02 H new ATOM 0 HE ARG A 65 4.036 3.992 -12.198 1.00 2.60 H new ATOM 0 HH11 ARG A 65 3.990 0.500 -11.685 1.00 3.52 H new ATOM 0 HH12 ARG A 65 5.637 0.274 -12.283 1.00 3.52 H new ATOM 0 HH21 ARG A 65 6.150 3.695 -12.964 1.00 3.99 H new ATOM 0 HH22 ARG A 65 6.855 2.076 -13.004 1.00 3.99 H new ATOM 1025 N ASN A 66 4.655 6.393 -9.284 1.00 1.03 N ATOM 1026 CA ASN A 66 4.728 7.824 -9.016 1.00 1.16 C ATOM 1027 C ASN A 66 3.411 8.511 -9.362 1.00 1.03 C ATOM 1028 O ASN A 66 3.396 9.531 -10.052 1.00 1.79 O ATOM 1029 CB ASN A 66 5.870 8.453 -9.816 1.00 1.96 C ATOM 1030 CG ASN A 66 6.642 9.479 -9.011 1.00 2.83 C ATOM 1031 OD1 ASN A 66 6.339 10.671 -9.050 1.00 3.41 O ATOM 1032 ND2 ASN A 66 7.646 9.018 -8.276 1.00 3.48 N ATOM 0 H ASN A 66 4.965 6.123 -10.218 1.00 1.03 H new ATOM 0 HA ASN A 66 4.918 7.961 -7.952 1.00 1.16 H new ATOM 0 HB2 ASN A 66 6.551 7.670 -10.150 1.00 1.96 H new ATOM 0 HB3 ASN A 66 5.466 8.926 -10.711 1.00 1.96 H new ATOM 0 HD21 ASN A 66 8.203 9.661 -7.713 1.00 3.48 H new ATOM 0 HD22 ASN A 66 7.861 8.021 -8.274 1.00 3.48 H new ATOM 1039 N GLN A 67 2.309 7.947 -8.881 1.00 1.15 N ATOM 1040 CA GLN A 67 0.989 8.508 -9.144 1.00 1.99 C ATOM 1041 C GLN A 67 -0.022 8.057 -8.094 1.00 1.73 C ATOM 1042 O GLN A 67 -1.225 8.027 -8.353 1.00 2.55 O ATOM 1043 CB GLN A 67 0.510 8.100 -10.538 1.00 2.86 C ATOM 1044 CG GLN A 67 -0.353 9.151 -11.216 1.00 3.88 C ATOM 1045 CD GLN A 67 -1.005 8.640 -12.485 1.00 4.69 C ATOM 1046 OE1 GLN A 67 -2.186 8.289 -12.493 1.00 5.12 O ATOM 1047 NE2 GLN A 67 -0.239 8.596 -13.568 1.00 5.31 N ATOM 0 H GLN A 67 2.303 7.103 -8.308 1.00 1.15 H new ATOM 0 HA GLN A 67 1.070 9.594 -9.095 1.00 1.99 H new ATOM 0 HB2 GLN A 67 1.377 7.894 -11.165 1.00 2.86 H new ATOM 0 HB3 GLN A 67 -0.056 7.171 -10.461 1.00 2.86 H new ATOM 0 HG2 GLN A 67 -1.126 9.483 -10.523 1.00 3.88 H new ATOM 0 HG3 GLN A 67 0.259 10.022 -11.452 1.00 3.88 H new ATOM 0 HE21 GLN A 67 0.734 8.896 -13.517 1.00 5.31 H new ATOM 0 HE22 GLN A 67 -0.624 8.262 -14.452 1.00 5.31 H new ATOM 1056 N HIS A 68 0.473 7.703 -6.907 1.00 0.89 N ATOM 1057 CA HIS A 68 -0.389 7.251 -5.813 1.00 0.62 C ATOM 1058 C HIS A 68 -1.436 6.261 -6.316 1.00 0.68 C ATOM 1059 O HIS A 68 -2.628 6.417 -6.053 1.00 1.37 O ATOM 1060 CB HIS A 68 -1.074 8.450 -5.148 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.870 9.291 -6.095 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -1.414 10.490 -6.603 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -3.099 9.100 -6.631 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -2.328 11.001 -7.409 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -3.360 10.177 -7.443 1.00 2.83 N ATOM 0 H HIS A 68 1.467 7.720 -6.678 1.00 0.89 H new ATOM 0 HA HIS A 68 0.235 6.744 -5.077 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.731 8.089 -4.357 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -0.316 9.073 -4.673 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -3.752 8.258 -6.453 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -2.245 11.933 -7.948 1.00 2.85 H new ATOM 0 HE2 HIS A 68 -4.213 10.318 -7.985 1.00 2.83 H new ATOM 1074 N TRP A 69 -0.982 5.248 -7.049 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.884 4.243 -7.599 1.00 0.45 C ATOM 1076 C TRP A 69 -1.589 2.851 -7.041 1.00 0.37 C ATOM 1077 O TRP A 69 -2.252 2.397 -6.108 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.786 4.232 -9.125 1.00 0.56 C ATOM 1079 CG TRP A 69 -3.053 4.654 -9.804 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -4.066 5.392 -9.263 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -3.441 4.365 -11.151 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -5.062 5.579 -10.191 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -4.701 4.957 -11.360 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -2.845 3.663 -12.203 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -5.374 4.869 -12.575 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -3.514 3.575 -13.408 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -4.766 4.175 -13.587 1.00 3.14 C ATOM 0 H TRP A 69 0.002 5.102 -7.275 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.899 4.508 -7.303 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.978 4.895 -9.435 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.521 3.229 -9.458 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.082 5.773 -8.253 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.928 6.096 -10.036 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -1.879 3.198 -12.076 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -6.340 5.331 -12.715 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -3.063 3.034 -14.227 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -5.262 4.089 -14.542 1.00 3.14 H new ATOM 1098 N SER A 70 -0.603 2.171 -7.619 1.00 0.35 N ATOM 1099 CA SER A 70 -0.244 0.826 -7.175 1.00 0.33 C ATOM 1100 C SER A 70 1.158 0.789 -6.580 1.00 0.36 C ATOM 1101 O SER A 70 1.982 1.667 -6.841 1.00 0.39 O ATOM 1102 CB SER A 70 -0.342 -0.161 -8.340 1.00 0.40 C ATOM 1103 OG SER A 70 -1.517 0.064 -9.098 1.00 1.02 O ATOM 0 H SER A 70 -0.040 2.526 -8.392 1.00 0.35 H new ATOM 0 HA SER A 70 -0.949 0.536 -6.396 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.534 -0.060 -8.981 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.341 -1.182 -7.958 1.00 0.40 H new ATOM 0 HG SER A 70 -1.274 0.282 -10.022 1.00 1.02 H new ATOM 1109 N LEU A 71 1.422 -0.247 -5.792 1.00 0.38 N ATOM 1110 CA LEU A 71 2.724 -0.430 -5.163 1.00 0.44 C ATOM 1111 C LEU A 71 3.085 -1.912 -5.138 1.00 0.44 C ATOM 1112 O LEU A 71 2.279 -2.743 -4.721 1.00 0.52 O ATOM 1113 CB LEU A 71 2.713 0.131 -3.739 1.00 0.51 C ATOM 1114 CG LEU A 71 1.362 0.055 -3.026 1.00 0.63 C ATOM 1115 CD1 LEU A 71 1.556 -0.023 -1.521 1.00 0.98 C ATOM 1116 CD2 LEU A 71 0.499 1.253 -3.393 1.00 0.80 C ATOM 0 H LEU A 71 0.745 -0.978 -5.573 1.00 0.38 H new ATOM 0 HA LEU A 71 3.472 0.110 -5.743 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.451 -0.409 -3.146 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.031 1.173 -3.772 1.00 0.51 H new ATOM 0 HG LEU A 71 0.851 -0.851 -3.352 1.00 0.63 H new ATOM 0 HD11 LEU A 71 0.584 -0.076 -1.031 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.136 -0.912 -1.275 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.088 0.864 -1.176 1.00 0.98 H new ATOM 0 HD21 LEU A 71 -0.459 1.183 -2.877 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.005 2.171 -3.095 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.331 1.264 -4.470 1.00 0.80 H new ATOM 1128 N ILE A 72 4.288 -2.244 -5.593 1.00 0.39 N ATOM 1129 CA ILE A 72 4.719 -3.636 -5.616 1.00 0.39 C ATOM 1130 C ILE A 72 5.877 -3.888 -4.655 1.00 0.36 C ATOM 1131 O ILE A 72 6.980 -3.371 -4.841 1.00 0.38 O ATOM 1132 CB ILE A 72 5.130 -4.081 -7.033 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.355 -5.593 -7.066 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.381 -3.343 -7.483 1.00 0.45 C ATOM 1135 CD1 ILE A 72 5.791 -6.111 -8.418 1.00 1.12 C ATOM 0 H ILE A 72 4.974 -1.577 -5.947 1.00 0.39 H new ATOM 0 HA ILE A 72 3.861 -4.225 -5.294 1.00 0.39 H new ATOM 0 HB ILE A 72 4.323 -3.835 -7.724 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.110 -5.856 -6.325 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.433 -6.096 -6.774 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.656 -3.671 -8.486 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.187 -2.270 -7.492 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.198 -3.558 -6.794 1.00 0.45 H new ATOM 0 HD11 ILE A 72 5.931 -7.191 -8.366 1.00 1.12 H new ATOM 0 HD12 ILE A 72 5.027 -5.880 -9.160 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.730 -5.636 -8.704 1.00 1.12 H new ATOM 1147 N MET A 73 5.616 -4.699 -3.635 1.00 0.36 N ATOM 1148 CA MET A 73 6.629 -5.042 -2.645 1.00 0.36 C ATOM 1149 C MET A 73 7.080 -6.487 -2.830 1.00 0.33 C ATOM 1150 O MET A 73 6.313 -7.329 -3.292 1.00 0.43 O ATOM 1151 CB MET A 73 6.080 -4.843 -1.230 1.00 0.43 C ATOM 1152 CG MET A 73 5.189 -3.620 -1.087 1.00 0.83 C ATOM 1153 SD MET A 73 6.130 -2.084 -1.000 1.00 1.86 S ATOM 1154 CE MET A 73 6.107 -1.576 -2.716 1.00 2.56 C ATOM 0 H MET A 73 4.707 -5.132 -3.473 1.00 0.36 H new ATOM 0 HA MET A 73 7.486 -4.384 -2.785 1.00 0.36 H new ATOM 0 HB2 MET A 73 5.515 -5.729 -0.941 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.915 -4.757 -0.535 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.503 -3.574 -1.933 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.581 -3.721 -0.188 1.00 0.83 H new ATOM 0 HE1 MET A 73 6.053 -0.489 -2.773 1.00 2.56 H new ATOM 0 HE2 MET A 73 7.016 -1.921 -3.210 1.00 2.56 H new ATOM 0 HE3 MET A 73 5.238 -2.009 -3.212 1.00 2.56 H new ATOM 1164 N GLU A 74 8.329 -6.767 -2.479 1.00 0.33 N ATOM 1165 CA GLU A 74 8.870 -8.115 -2.623 1.00 0.31 C ATOM 1166 C GLU A 74 9.263 -8.709 -1.275 1.00 0.31 C ATOM 1167 O GLU A 74 10.223 -8.267 -0.647 1.00 0.37 O ATOM 1168 CB GLU A 74 10.084 -8.103 -3.547 1.00 0.37 C ATOM 1169 CG GLU A 74 10.415 -9.468 -4.127 1.00 0.41 C ATOM 1170 CD GLU A 74 11.216 -9.378 -5.413 1.00 0.89 C ATOM 1171 OE1 GLU A 74 11.282 -8.274 -5.993 1.00 1.12 O ATOM 1172 OE2 GLU A 74 11.776 -10.410 -5.837 1.00 1.52 O ATOM 0 H GLU A 74 8.983 -6.085 -2.095 1.00 0.33 H new ATOM 0 HA GLU A 74 8.086 -8.737 -3.056 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.903 -7.404 -4.363 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.948 -7.732 -2.995 1.00 0.37 H new ATOM 0 HG2 GLU A 74 10.978 -10.044 -3.392 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.490 -10.012 -4.317 1.00 0.41 H new ATOM 1179 N SER A 75 8.518 -9.720 -0.842 1.00 0.29 N ATOM 1180 CA SER A 75 8.799 -10.389 0.423 1.00 0.33 C ATOM 1181 C SER A 75 8.751 -11.902 0.248 1.00 0.33 C ATOM 1182 O SER A 75 7.822 -12.433 -0.362 1.00 0.38 O ATOM 1183 CB SER A 75 7.798 -9.953 1.493 1.00 0.41 C ATOM 1184 OG SER A 75 8.461 -9.433 2.635 1.00 1.32 O ATOM 0 H SER A 75 7.715 -10.094 -1.348 1.00 0.29 H new ATOM 0 HA SER A 75 9.801 -10.105 0.745 1.00 0.33 H new ATOM 0 HB2 SER A 75 7.129 -9.197 1.082 1.00 0.41 H new ATOM 0 HB3 SER A 75 7.179 -10.802 1.784 1.00 0.41 H new ATOM 0 HG SER A 75 9.428 -9.554 2.535 1.00 1.32 H new ATOM 1190 N VAL A 76 9.747 -12.598 0.785 1.00 0.37 N ATOM 1191 CA VAL A 76 9.794 -14.050 0.679 1.00 0.41 C ATOM 1192 C VAL A 76 9.463 -14.708 2.012 1.00 0.43 C ATOM 1193 O VAL A 76 8.838 -15.769 2.052 1.00 0.46 O ATOM 1194 CB VAL A 76 11.171 -14.548 0.194 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.397 -14.162 -1.260 1.00 1.54 C ATOM 1196 CG2 VAL A 76 12.285 -13.999 1.074 1.00 1.33 C ATOM 0 H VAL A 76 10.527 -12.183 1.294 1.00 0.37 H new ATOM 0 HA VAL A 76 9.044 -14.332 -0.060 1.00 0.41 H new ATOM 0 HB VAL A 76 11.185 -15.635 0.267 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.373 -14.522 -1.584 1.00 1.54 H new ATOM 0 HG12 VAL A 76 10.621 -14.610 -1.880 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.359 -13.077 -1.359 1.00 1.54 H new ATOM 0 HG21 VAL A 76 13.247 -14.363 0.713 1.00 1.33 H new ATOM 0 HG22 VAL A 76 12.273 -12.910 1.039 1.00 1.33 H new ATOM 0 HG23 VAL A 76 12.134 -14.330 2.101 1.00 1.33 H new ATOM 1206 N VAL A 77 9.879 -14.074 3.102 1.00 0.45 N ATOM 1207 CA VAL A 77 9.617 -14.602 4.438 1.00 0.49 C ATOM 1208 C VAL A 77 8.396 -13.933 5.064 1.00 0.45 C ATOM 1209 O VAL A 77 7.471 -14.611 5.513 1.00 0.47 O ATOM 1210 CB VAL A 77 10.825 -14.435 5.396 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.970 -15.662 6.281 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.122 -14.177 4.631 1.00 0.77 C ATOM 0 H VAL A 77 10.398 -13.196 3.089 1.00 0.45 H new ATOM 0 HA VAL A 77 9.431 -15.668 4.305 1.00 0.49 H new ATOM 0 HB VAL A 77 10.632 -13.564 6.022 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.822 -15.531 6.948 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.063 -15.794 6.872 1.00 0.80 H new ATOM 0 HG13 VAL A 77 11.129 -16.543 5.659 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.945 -14.066 5.337 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.325 -15.016 3.966 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.022 -13.265 4.043 1.00 0.77 H new ATOM 1222 N PRO A 78 8.371 -12.587 5.106 1.00 0.43 N ATOM 1223 CA PRO A 78 7.252 -11.835 5.687 1.00 0.41 C ATOM 1224 C PRO A 78 5.915 -12.168 5.032 1.00 0.35 C ATOM 1225 O PRO A 78 4.856 -11.884 5.590 1.00 0.34 O ATOM 1226 CB PRO A 78 7.624 -10.373 5.422 1.00 0.42 C ATOM 1227 CG PRO A 78 9.103 -10.382 5.256 1.00 0.48 C ATOM 1228 CD PRO A 78 9.428 -11.694 4.601 1.00 0.46 C ATOM 0 HA PRO A 78 7.116 -12.072 6.742 1.00 0.41 H new ATOM 0 HB2 PRO A 78 7.128 -9.994 4.528 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.323 -9.732 6.250 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.434 -9.545 4.641 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.606 -10.289 6.219 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.407 -11.618 3.514 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.421 -12.048 4.877 1.00 0.46 H new ATOM 1236 N SER A 79 5.964 -12.774 3.850 1.00 0.34 N ATOM 1237 CA SER A 79 4.745 -13.141 3.136 1.00 0.34 C ATOM 1238 C SER A 79 3.824 -13.962 4.025 1.00 0.38 C ATOM 1239 O SER A 79 2.614 -14.004 3.803 1.00 0.39 O ATOM 1240 CB SER A 79 5.086 -13.921 1.865 1.00 0.39 C ATOM 1241 OG SER A 79 4.338 -13.445 0.759 1.00 1.13 O ATOM 0 H SER A 79 6.829 -13.020 3.368 1.00 0.34 H new ATOM 0 HA SER A 79 4.225 -12.224 2.857 1.00 0.34 H new ATOM 0 HB2 SER A 79 6.151 -13.830 1.654 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.880 -14.980 2.018 1.00 0.39 H new ATOM 0 HG SER A 79 4.575 -13.958 -0.041 1.00 1.13 H new ATOM 1247 N ASP A 80 4.395 -14.604 5.039 1.00 0.43 N ATOM 1248 CA ASP A 80 3.604 -15.405 5.959 1.00 0.50 C ATOM 1249 C ASP A 80 2.473 -14.569 6.536 1.00 0.42 C ATOM 1250 O ASP A 80 1.362 -15.062 6.728 1.00 0.47 O ATOM 1251 CB ASP A 80 4.480 -15.964 7.080 1.00 0.62 C ATOM 1252 CG ASP A 80 3.715 -16.902 7.995 1.00 1.27 C ATOM 1253 OD1 ASP A 80 2.904 -17.700 7.481 1.00 2.02 O ATOM 1254 OD2 ASP A 80 3.930 -16.837 9.223 1.00 1.69 O ATOM 0 H ASP A 80 5.395 -14.584 5.242 1.00 0.43 H new ATOM 0 HA ASP A 80 3.178 -16.245 5.410 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.327 -16.495 6.646 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.886 -15.140 7.666 1.00 0.62 H new ATOM 1259 N LYS A 81 2.749 -13.293 6.786 1.00 0.38 N ATOM 1260 CA LYS A 81 1.729 -12.403 7.309 1.00 0.33 C ATOM 1261 C LYS A 81 1.000 -11.730 6.156 1.00 0.26 C ATOM 1262 O LYS A 81 1.553 -10.879 5.460 1.00 0.27 O ATOM 1263 CB LYS A 81 2.345 -11.348 8.237 1.00 0.40 C ATOM 1264 CG LYS A 81 3.511 -10.591 7.625 1.00 0.91 C ATOM 1265 CD LYS A 81 3.570 -9.159 8.131 1.00 1.02 C ATOM 1266 CE LYS A 81 4.619 -8.350 7.389 1.00 0.87 C ATOM 1267 NZ LYS A 81 5.995 -8.673 7.852 1.00 1.23 N ATOM 0 H LYS A 81 3.660 -12.860 6.636 1.00 0.38 H new ATOM 0 HA LYS A 81 1.019 -12.990 7.892 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.572 -10.635 8.523 1.00 0.40 H new ATOM 0 HB3 LYS A 81 2.682 -11.836 9.152 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.444 -11.102 7.864 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.417 -10.591 6.539 1.00 0.91 H new ATOM 0 HD2 LYS A 81 2.594 -8.689 8.011 1.00 1.02 H new ATOM 0 HD3 LYS A 81 3.795 -9.158 9.198 1.00 1.02 H new ATOM 0 HE2 LYS A 81 4.540 -8.546 6.320 1.00 0.87 H new ATOM 0 HE3 LYS A 81 4.427 -7.287 7.533 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 6.687 -8.305 7.168 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.160 -8.236 8.781 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.101 -9.705 7.931 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.242 -12.135 5.949 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.031 -11.583 4.869 1.00 0.24 C ATOM 1283 C GLY A 82 -1.985 -10.498 5.331 1.00 0.28 C ATOM 1284 O GLY A 82 -3.195 -10.598 5.141 1.00 0.53 O ATOM 0 H GLY A 82 -0.720 -12.839 6.512 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.364 -11.174 4.110 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.600 -12.383 4.396 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.430 -9.444 5.914 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.226 -8.315 6.379 1.00 0.28 C ATOM 1290 C ASN A 83 -1.709 -7.032 5.744 1.00 0.30 C ATOM 1291 O ASN A 83 -0.602 -6.588 6.047 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.171 -8.208 7.904 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.115 -7.151 8.444 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -3.171 -6.032 7.932 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.867 -7.501 9.481 1.00 0.96 N ATOM 0 H ASN A 83 -0.428 -9.347 6.077 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.264 -8.471 6.085 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.422 -9.174 8.343 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.152 -7.973 8.212 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.523 -6.832 9.884 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.789 -8.439 9.874 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.499 -6.447 4.852 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.086 -5.227 4.172 1.00 0.40 C ATOM 1304 C TYR A 84 -2.876 -4.018 4.655 1.00 0.35 C ATOM 1305 O TYR A 84 -4.106 -4.002 4.609 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.244 -5.384 2.662 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.959 -5.765 1.965 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -0.014 -4.804 1.636 1.00 1.74 C ATOM 1309 CD2 TYR A 84 -0.687 -7.090 1.644 1.00 1.96 C ATOM 1310 CE1 TYR A 84 1.166 -5.149 1.005 1.00 2.46 C ATOM 1311 CE2 TYR A 84 0.489 -7.444 1.014 1.00 2.76 C ATOM 1312 CZ TYR A 84 1.412 -6.470 0.698 1.00 2.86 C ATOM 1313 OH TYR A 84 2.588 -6.818 0.073 1.00 3.72 O ATOM 0 H TYR A 84 -3.420 -6.794 4.585 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.036 -5.057 4.410 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.999 -6.144 2.459 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.613 -4.448 2.243 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -0.204 -3.769 1.877 1.00 1.74 H new ATOM 0 HD2 TYR A 84 -1.408 -7.855 1.892 1.00 1.96 H new ATOM 0 HE1 TYR A 84 1.891 -4.389 0.754 1.00 2.46 H new ATOM 0 HE2 TYR A 84 0.685 -8.478 0.770 1.00 2.76 H new ATOM 0 HH TYR A 84 3.129 -6.015 -0.076 1.00 3.72 H new ATOM 1323 N THR A 85 -2.150 -3.001 5.104 1.00 0.32 N ATOM 1324 CA THR A 85 -2.766 -1.775 5.584 1.00 0.33 C ATOM 1325 C THR A 85 -2.220 -0.571 4.826 1.00 0.29 C ATOM 1326 O THR A 85 -1.017 -0.304 4.848 1.00 0.31 O ATOM 1327 CB THR A 85 -2.525 -1.576 7.093 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.889 -2.762 7.810 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.329 -0.396 7.619 1.00 1.00 C ATOM 0 H THR A 85 -1.131 -3.004 5.145 1.00 0.32 H new ATOM 0 HA THR A 85 -3.839 -1.862 5.411 1.00 0.33 H new ATOM 0 HB THR A 85 -1.465 -1.371 7.243 1.00 0.45 H new ATOM 0 HG1 THR A 85 -2.884 -2.577 8.772 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.142 -0.275 8.686 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.030 0.511 7.094 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.391 -0.577 7.455 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.108 0.149 4.154 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.718 1.321 3.384 1.00 0.30 C ATOM 1339 C CYS A 86 -3.010 2.597 4.161 1.00 0.30 C ATOM 1340 O CYS A 86 -4.158 3.035 4.245 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.460 1.348 2.045 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.379 1.552 0.593 1.00 0.65 S ATOM 0 H CYS A 86 -4.106 -0.059 4.127 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.646 1.263 3.197 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -4.024 0.421 1.936 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.185 2.162 2.061 1.00 0.36 H new ATOM 1347 N VAL A 87 -1.968 3.193 4.729 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.126 4.420 5.496 1.00 0.30 C ATOM 1349 C VAL A 87 -1.559 5.608 4.737 1.00 0.31 C ATOM 1350 O VAL A 87 -0.343 5.782 4.657 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.433 4.325 6.868 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.334 3.628 7.875 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -0.100 3.606 6.745 1.00 0.97 C ATOM 0 H VAL A 87 -1.010 2.848 4.673 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.196 4.561 5.652 1.00 0.30 H new ATOM 0 HB VAL A 87 -1.241 5.336 7.228 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.827 3.570 8.838 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -3.260 4.192 7.986 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -2.562 2.621 7.524 1.00 0.94 H new ATOM 0 HG21 VAL A 87 0.374 3.549 7.725 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -0.264 2.599 6.362 1.00 0.97 H new ATOM 0 HG23 VAL A 87 0.547 4.154 6.060 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.443 6.426 4.175 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.009 7.591 3.424 1.00 0.33 C ATOM 1365 C VAL A 88 -2.293 8.879 4.176 1.00 0.30 C ATOM 1366 O VAL A 88 -3.447 9.246 4.395 1.00 0.30 O ATOM 1367 CB VAL A 88 -2.690 7.656 2.044 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.026 6.693 1.075 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -4.177 7.358 2.168 1.00 1.50 C ATOM 0 H VAL A 88 -3.454 6.303 4.226 1.00 0.32 H new ATOM 0 HA VAL A 88 -0.932 7.488 3.289 1.00 0.33 H new ATOM 0 HB VAL A 88 -2.577 8.666 1.651 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -2.521 6.753 0.106 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -0.974 6.957 0.963 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -2.105 5.677 1.460 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -4.642 7.408 1.183 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -4.315 6.360 2.583 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -4.642 8.092 2.826 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.226 9.560 4.577 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.351 10.807 5.312 1.00 0.32 C ATOM 1381 C GLU A 89 -1.092 12.001 4.405 1.00 0.31 C ATOM 1382 O GLU A 89 -0.365 11.903 3.414 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.377 10.826 6.491 1.00 0.37 C ATOM 1384 CG GLU A 89 -0.712 11.875 7.539 1.00 0.43 C ATOM 1385 CD GLU A 89 0.217 13.071 7.485 1.00 0.83 C ATOM 1386 OE1 GLU A 89 0.460 13.583 6.371 1.00 1.46 O ATOM 1387 OE2 GLU A 89 0.702 13.496 8.554 1.00 1.33 O ATOM 0 H GLU A 89 -0.264 9.267 4.404 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.371 10.877 5.690 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.370 9.843 6.962 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.631 11.007 6.117 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -1.739 12.211 7.396 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -0.659 11.423 8.530 1.00 0.43 H new ATOM 1394 N ASN A 90 -1.679 13.134 4.759 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.500 14.359 3.999 1.00 0.36 C ATOM 1396 C ASN A 90 -1.416 15.547 4.950 1.00 0.43 C ATOM 1397 O ASN A 90 -1.582 15.397 6.160 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.637 14.562 2.988 1.00 0.37 C ATOM 1399 CG ASN A 90 -3.942 13.928 3.431 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.145 12.723 3.276 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.836 14.737 3.988 1.00 0.86 N ATOM 0 H ASN A 90 -2.287 13.229 5.573 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.569 14.280 3.437 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.792 15.630 2.833 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.342 14.140 2.027 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.731 14.366 4.306 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.627 15.729 4.097 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.166 16.723 4.398 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.068 17.934 5.200 1.00 0.66 C ATOM 1410 C GLU A 91 -2.424 18.316 5.789 1.00 0.68 C ATOM 1411 O GLU A 91 -2.499 19.120 6.718 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.530 19.088 4.348 1.00 0.76 C ATOM 1413 CG GLU A 91 -0.416 20.401 5.106 1.00 1.15 C ATOM 1414 CD GLU A 91 0.094 21.533 4.236 1.00 1.72 C ATOM 1415 OE1 GLU A 91 0.296 21.306 3.026 1.00 2.34 O ATOM 1416 OE2 GLU A 91 0.289 22.646 4.766 1.00 2.24 O ATOM 0 H GLU A 91 -1.027 16.866 3.398 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.379 17.738 6.022 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.451 18.816 3.960 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.185 19.230 3.488 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -1.392 20.669 5.510 1.00 1.15 H new ATOM 0 HG3 GLU A 91 0.255 20.269 5.955 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.499 17.758 5.231 1.00 0.64 N ATOM 1424 CA TYR A 92 -4.845 18.073 5.698 1.00 0.68 C ATOM 1425 C TYR A 92 -5.510 16.903 6.427 1.00 0.60 C ATOM 1426 O TYR A 92 -6.669 17.004 6.826 1.00 0.63 O ATOM 1427 CB TYR A 92 -5.717 18.511 4.521 1.00 0.75 C ATOM 1428 CG TYR A 92 -6.404 19.839 4.739 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -5.734 20.898 5.337 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -7.721 20.032 4.348 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -6.358 22.114 5.541 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -8.353 21.246 4.547 1.00 2.05 C ATOM 1433 CZ TYR A 92 -7.666 22.282 5.144 1.00 2.19 C ATOM 1434 OH TYR A 92 -8.294 23.492 5.344 1.00 2.77 O ATOM 0 H TYR A 92 -3.463 17.091 4.461 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.748 18.886 6.417 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.099 18.574 3.625 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.472 17.747 4.335 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -4.708 20.769 5.648 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -8.261 19.222 3.881 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -5.823 22.927 6.009 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -9.378 21.382 4.237 1.00 2.05 H new ATOM 0 HH TYR A 92 -9.213 23.443 5.006 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.790 15.798 6.613 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.381 14.663 7.309 1.00 0.47 C ATOM 1446 C GLY A 93 -4.742 13.331 6.964 1.00 0.40 C ATOM 1447 O GLY A 93 -3.927 13.239 6.045 1.00 0.40 O ATOM 0 H GLY A 93 -3.827 15.667 6.302 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.301 14.826 8.384 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.444 14.617 7.072 1.00 0.47 H new ATOM 1451 N SER A 94 -5.123 12.295 7.712 1.00 0.38 N ATOM 1452 CA SER A 94 -4.597 10.950 7.497 1.00 0.34 C ATOM 1453 C SER A 94 -5.724 9.922 7.403 1.00 0.34 C ATOM 1454 O SER A 94 -6.671 9.948 8.190 1.00 0.38 O ATOM 1455 CB SER A 94 -3.637 10.569 8.625 1.00 0.35 C ATOM 1456 OG SER A 94 -3.596 11.574 9.623 1.00 1.04 O ATOM 0 H SER A 94 -5.797 12.364 8.475 1.00 0.38 H new ATOM 0 HA SER A 94 -4.057 10.951 6.550 1.00 0.34 H new ATOM 0 HB2 SER A 94 -3.950 9.624 9.069 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.637 10.415 8.219 1.00 0.35 H new ATOM 0 HG SER A 94 -2.976 11.305 10.333 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.612 9.020 6.432 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.616 7.978 6.225 1.00 0.34 C ATOM 1464 C ILE A 95 -5.992 6.588 6.339 1.00 0.31 C ATOM 1465 O ILE A 95 -4.794 6.416 6.113 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.317 8.099 4.847 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.099 9.499 4.241 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.801 7.787 4.999 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.086 9.876 3.152 1.00 0.47 C ATOM 0 H ILE A 95 -4.834 8.989 5.774 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.363 8.116 7.006 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.878 7.376 4.160 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.158 10.239 5.039 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.090 9.551 3.832 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.292 7.873 4.030 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.922 6.773 5.379 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.251 8.492 5.697 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -7.857 10.876 2.784 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.013 9.162 2.332 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.098 9.861 3.557 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.809 5.600 6.700 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.332 4.227 6.852 1.00 0.34 C ATOM 1483 C ASN A 96 -7.190 3.242 6.059 1.00 0.34 C ATOM 1484 O ASN A 96 -8.415 3.362 6.016 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.323 3.833 8.330 1.00 0.38 C ATOM 1486 CG ASN A 96 -5.732 4.914 9.213 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -4.637 4.761 9.754 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -6.458 6.017 9.364 1.00 1.12 N ATOM 0 H ASN A 96 -7.803 5.725 6.892 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.317 4.184 6.457 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.342 3.621 8.653 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.751 2.913 8.454 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -6.112 6.779 9.947 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.361 6.101 8.897 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.536 2.260 5.442 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.228 1.239 4.658 1.00 0.34 C ATOM 1497 C HIS A 97 -6.673 -0.152 4.968 1.00 0.33 C ATOM 1498 O HIS A 97 -5.460 -0.354 4.974 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.093 1.534 3.163 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.668 2.858 2.762 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -7.100 4.064 3.120 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -8.765 3.164 2.029 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -7.825 5.053 2.624 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.839 4.532 1.959 1.00 0.85 N ATOM 0 H HIS A 97 -5.522 2.150 5.470 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.283 1.260 4.930 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.038 1.507 2.889 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.590 0.745 2.598 1.00 0.36 H new ATOM 0 HD2 HIS A 97 -9.453 2.462 1.583 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -7.622 6.107 2.743 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -9.562 5.061 1.471 1.00 0.85 H new ATOM 1513 N THR A 98 -7.561 -1.108 5.230 1.00 0.35 N ATOM 1514 CA THR A 98 -7.140 -2.473 5.546 1.00 0.35 C ATOM 1515 C THR A 98 -7.621 -3.476 4.497 1.00 0.35 C ATOM 1516 O THR A 98 -8.735 -3.368 3.985 1.00 0.36 O ATOM 1517 CB THR A 98 -7.661 -2.912 6.927 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.232 -4.250 7.209 1.00 1.33 O ATOM 1519 CG2 THR A 98 -9.180 -2.840 6.979 1.00 1.36 C ATOM 0 H THR A 98 -8.571 -0.966 5.230 1.00 0.35 H new ATOM 0 HA THR A 98 -6.050 -2.464 5.552 1.00 0.35 H new ATOM 0 HB THR A 98 -7.254 -2.234 7.678 1.00 0.38 H new ATOM 0 HG1 THR A 98 -7.566 -4.522 8.090 1.00 1.33 H new ATOM 0 HG21 THR A 98 -9.526 -3.155 7.964 1.00 1.36 H new ATOM 0 HG22 THR A 98 -9.502 -1.816 6.791 1.00 1.36 H new ATOM 0 HG23 THR A 98 -9.602 -3.498 6.219 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.773 -4.457 4.193 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.107 -5.492 3.217 1.00 0.42 C ATOM 1529 C TYR A 99 -6.671 -6.869 3.725 1.00 0.42 C ATOM 1530 O TYR A 99 -5.667 -6.989 4.430 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.469 -5.169 1.868 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.670 -3.725 1.467 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.946 -3.216 1.264 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -5.590 -2.868 1.304 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -8.140 -1.896 0.910 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -5.775 -1.545 0.948 1.00 0.96 C ATOM 1537 CZ TYR A 99 -7.052 -1.066 0.752 1.00 0.81 C ATOM 1538 OH TYR A 99 -7.242 0.251 0.398 1.00 0.96 O ATOM 0 H TYR A 99 -5.847 -4.557 4.610 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.188 -5.516 3.082 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.402 -5.386 1.913 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.894 -5.818 1.103 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.801 -3.864 1.385 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -4.588 -3.241 1.458 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -9.139 -1.516 0.758 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -4.924 -0.891 0.824 1.00 0.96 H new ATOM 0 HH TYR A 99 -6.374 0.700 0.329 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.463 -7.894 3.411 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.172 -9.243 3.899 1.00 0.44 C ATOM 1550 C HIS A 100 -6.510 -10.164 2.869 1.00 0.42 C ATOM 1551 O HIS A 100 -7.166 -10.723 2.008 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.454 -9.898 4.409 1.00 0.53 C ATOM 1553 CG HIS A 100 -8.670 -9.732 5.882 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -8.079 -8.730 6.622 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -9.419 -10.449 6.754 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -8.453 -8.839 7.885 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -9.266 -9.874 7.991 1.00 1.70 N ATOM 0 H HIS A 100 -8.298 -7.820 2.830 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.447 -9.113 4.703 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.305 -9.474 3.876 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.427 -10.962 4.172 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -10.024 -11.312 6.519 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -8.146 -8.192 8.693 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -9.709 -10.194 8.852 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.210 -10.380 3.006 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.498 -11.289 2.109 1.00 0.45 C ATOM 1568 C LEU A 101 -4.169 -12.585 2.840 1.00 0.48 C ATOM 1569 O LEU A 101 -4.014 -12.591 4.060 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.224 -10.650 1.556 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.429 -9.353 0.768 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -4.311 -9.599 -0.445 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.031 -8.274 1.655 1.00 1.63 C ATOM 0 H LEU A 101 -4.628 -9.945 3.722 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.149 -11.508 1.262 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.549 -10.447 2.387 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.726 -11.373 0.910 1.00 0.51 H new ATOM 0 HG LEU A 101 -2.455 -9.007 0.422 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -4.445 -8.666 -0.992 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -3.839 -10.336 -1.095 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -5.282 -9.972 -0.119 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -4.168 -7.361 1.075 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -4.995 -8.611 2.035 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -3.361 -8.075 2.492 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.062 -13.689 2.106 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.752 -14.974 2.722 1.00 0.57 C ATOM 1587 C ASP A 102 -2.487 -15.577 2.121 1.00 0.54 C ATOM 1588 O ASP A 102 -2.241 -15.462 0.920 1.00 0.53 O ATOM 1589 CB ASP A 102 -4.924 -15.943 2.551 1.00 0.65 C ATOM 1590 CG ASP A 102 -4.969 -16.995 3.642 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -4.436 -16.733 4.741 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -5.535 -18.080 3.397 1.00 2.34 O ATOM 0 H ASP A 102 -4.184 -13.720 1.094 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.582 -14.805 3.785 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.859 -15.382 2.552 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.848 -16.433 1.580 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.687 -16.223 2.966 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.449 -16.847 2.521 1.00 0.68 C ATOM 1599 C VAL A 103 -0.702 -18.251 1.984 1.00 0.66 C ATOM 1600 O VAL A 103 -1.476 -19.016 2.561 1.00 0.75 O ATOM 1601 CB VAL A 103 0.584 -16.923 3.663 1.00 0.89 C ATOM 1602 CG1 VAL A 103 0.046 -17.748 4.821 1.00 1.56 C ATOM 1603 CG2 VAL A 103 1.899 -17.496 3.156 1.00 1.60 C ATOM 0 H VAL A 103 -1.876 -16.327 3.963 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.050 -16.223 1.721 1.00 0.68 H new ATOM 0 HB VAL A 103 0.769 -15.912 4.026 1.00 0.89 H new ATOM 0 HG11 VAL A 103 0.791 -17.789 5.616 1.00 1.56 H new ATOM 0 HG12 VAL A 103 -0.866 -17.289 5.202 1.00 1.56 H new ATOM 0 HG13 VAL A 103 -0.173 -18.759 4.477 1.00 1.56 H new ATOM 0 HG21 VAL A 103 2.616 -17.542 3.976 1.00 1.60 H new ATOM 0 HG22 VAL A 103 1.732 -18.499 2.764 1.00 1.60 H new ATOM 0 HG23 VAL A 103 2.293 -16.858 2.365 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.050 -18.581 0.876 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.206 -19.892 0.259 1.00 0.73 C ATOM 1615 C VAL A 104 1.148 -20.530 -0.027 1.00 0.83 C ATOM 1616 O VAL A 104 2.032 -19.901 -0.608 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.007 -19.799 -1.055 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -1.381 -21.187 -1.553 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -2.245 -18.939 -0.863 1.00 1.27 C ATOM 0 H VAL A 104 0.592 -17.958 0.386 1.00 0.66 H new ATOM 0 HA VAL A 104 -0.753 -20.514 0.968 1.00 0.73 H new ATOM 0 HB VAL A 104 -0.379 -19.327 -1.811 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -1.946 -21.101 -2.481 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -0.475 -21.766 -1.732 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -1.991 -21.691 -0.803 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -2.799 -18.884 -1.800 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -2.878 -19.379 -0.093 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -1.947 -17.936 -0.558 1.00 1.27 H new TER 1629 VAL A 104