USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 504 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.471 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 18 GLN : amide:sc= 0.423 K(o=0.42,f=-3.4!) USER MOD Single : A 24 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.19) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= 0.315 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000673) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 42 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.025) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc=-0.00208 X(o=-0.0021,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= -0.0631 (180deg=-0.217) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.836 -0.184 -15.509 1.00 11.41 N ATOM 2 CA SER A 1 -2.057 0.341 -16.635 1.00 55.45 C ATOM 3 C SER A 1 -1.320 1.581 -16.143 1.00 51.15 C ATOM 4 O SER A 1 -1.957 2.571 -15.779 1.00 33.12 O ATOM 5 CB SER A 1 -2.992 0.624 -17.818 1.00 1.13 C ATOM 6 OG SER A 1 -3.484 -0.605 -18.344 1.00 0.10 O ATOM 0 H1 SER A 1 -3.353 -1.034 -15.811 1.00 11.41 H new ATOM 0 H2 SER A 1 -2.195 -0.429 -14.727 1.00 11.41 H new ATOM 0 H3 SER A 1 -3.513 0.538 -15.189 1.00 11.41 H new ATOM 0 HA SER A 1 -1.320 -0.377 -16.994 1.00 55.45 H new ATOM 0 HB2 SER A 1 -3.823 1.252 -17.496 1.00 1.13 H new ATOM 0 HB3 SER A 1 -2.458 1.175 -18.593 1.00 1.13 H new ATOM 0 HG SER A 1 -4.082 -0.422 -19.098 1.00 0.10 H new ATOM 11 N ALA A 2 0.012 1.500 -16.035 1.00 34.11 N ATOM 12 CA ALA A 2 0.820 2.421 -15.238 1.00 15.13 C ATOM 13 C ALA A 2 2.148 2.754 -15.929 1.00 34.11 C ATOM 14 O ALA A 2 2.612 1.969 -16.761 1.00 24.43 O ATOM 15 CB ALA A 2 1.112 1.743 -13.889 1.00 53.45 C ATOM 0 H ALA A 2 0.563 0.782 -16.506 1.00 34.11 H new ATOM 0 HA ALA A 2 0.271 3.354 -15.108 1.00 15.13 H new ATOM 0 HB1 ALA A 2 1.715 2.408 -13.271 1.00 53.45 H new ATOM 0 HB2 ALA A 2 0.173 1.526 -13.380 1.00 53.45 H new ATOM 0 HB3 ALA A 2 1.655 0.814 -14.059 1.00 53.45 H new ATOM 21 N PRO A 3 2.818 3.850 -15.531 1.00 73.33 N ATOM 22 CA PRO A 3 4.240 4.034 -15.788 1.00 55.45 C ATOM 23 C PRO A 3 5.042 3.050 -14.933 1.00 15.40 C ATOM 24 O PRO A 3 4.538 2.558 -13.917 1.00 74.32 O ATOM 25 CB PRO A 3 4.526 5.467 -15.344 1.00 40.25 C ATOM 26 CG PRO A 3 3.574 5.649 -14.165 1.00 64.03 C ATOM 27 CD PRO A 3 2.333 4.909 -14.652 1.00 34.23 C ATOM 0 HA PRO A 3 4.509 3.862 -16.830 1.00 55.45 H new ATOM 0 HB2 PRO A 3 5.567 5.599 -15.048 1.00 40.25 H new ATOM 0 HB3 PRO A 3 4.327 6.185 -16.140 1.00 40.25 H new ATOM 0 HG2 PRO A 3 3.973 5.219 -13.247 1.00 64.03 H new ATOM 0 HG3 PRO A 3 3.370 6.700 -13.962 1.00 64.03 H new ATOM 0 HD2 PRO A 3 1.771 4.495 -13.815 1.00 34.23 H new ATOM 0 HD3 PRO A 3 1.661 5.582 -15.185 1.00 34.23 H new ATOM 32 N GLY A 4 6.310 2.822 -15.278 1.00 60.44 N ATOM 33 CA GLY A 4 7.161 1.911 -14.523 1.00 15.30 C ATOM 34 C GLY A 4 6.526 0.520 -14.468 1.00 33.20 C ATOM 35 O GLY A 4 5.839 0.112 -15.412 1.00 63.22 O ATOM 0 H GLY A 4 6.768 3.259 -16.078 1.00 60.44 H new ATOM 0 HA2 GLY A 4 8.145 1.852 -14.988 1.00 15.30 H new ATOM 0 HA3 GLY A 4 7.308 2.292 -13.512 1.00 15.30 H new ATOM 39 N GLY A 5 6.765 -0.201 -13.375 1.00 12.41 N ATOM 40 CA GLY A 5 5.994 -1.365 -12.952 1.00 71.15 C ATOM 41 C GLY A 5 5.789 -2.447 -14.012 1.00 21.14 C ATOM 42 O GLY A 5 4.712 -3.043 -14.061 1.00 3.54 O ATOM 0 H GLY A 5 7.530 0.019 -12.737 1.00 12.41 H new ATOM 0 HA2 GLY A 5 6.492 -1.814 -12.093 1.00 71.15 H new ATOM 0 HA3 GLY A 5 5.016 -1.025 -12.612 1.00 71.15 H new ATOM 46 N LYS A 6 6.763 -2.705 -14.894 1.00 12.10 N ATOM 47 CA LYS A 6 6.698 -3.858 -15.805 1.00 74.05 C ATOM 48 C LYS A 6 7.106 -5.155 -15.104 1.00 33.21 C ATOM 49 O LYS A 6 6.925 -6.229 -15.673 1.00 51.15 O ATOM 50 CB LYS A 6 7.551 -3.625 -17.063 1.00 71.24 C ATOM 51 CG LYS A 6 6.915 -2.554 -17.959 1.00 64.24 C ATOM 52 CD LYS A 6 7.767 -2.254 -19.197 1.00 22.44 C ATOM 53 CE LYS A 6 6.983 -1.298 -20.103 1.00 54.54 C ATOM 54 NZ LYS A 6 7.595 -1.157 -21.437 1.00 15.22 N ATOM 0 H LYS A 6 7.602 -2.135 -14.997 1.00 12.10 H new ATOM 0 HA LYS A 6 5.659 -3.963 -16.117 1.00 74.05 H new ATOM 0 HB2 LYS A 6 8.556 -3.315 -16.775 1.00 71.24 H new ATOM 0 HB3 LYS A 6 7.652 -4.558 -17.618 1.00 71.24 H new ATOM 0 HG2 LYS A 6 5.925 -2.886 -18.273 1.00 64.24 H new ATOM 0 HG3 LYS A 6 6.776 -1.638 -17.385 1.00 64.24 H new ATOM 0 HD2 LYS A 6 8.717 -1.806 -18.904 1.00 22.44 H new ATOM 0 HD3 LYS A 6 8.000 -3.176 -19.730 1.00 22.44 H new ATOM 0 HE2 LYS A 6 5.961 -1.661 -20.212 1.00 54.54 H new ATOM 0 HE3 LYS A 6 6.924 -0.319 -19.628 1.00 54.54 H new ATOM 0 HZ1 LYS A 6 7.028 -0.501 -22.011 1.00 15.22 H new ATOM 0 HZ2 LYS A 6 8.561 -0.785 -21.338 1.00 15.22 H new ATOM 0 HZ3 LYS A 6 7.628 -2.086 -21.904 1.00 15.22 H new ATOM 64 N SER A 7 7.617 -5.089 -13.877 1.00 14.20 N ATOM 65 CA SER A 7 8.054 -6.245 -13.113 1.00 55.43 C ATOM 66 C SER A 7 7.481 -6.175 -11.696 1.00 23.11 C ATOM 67 O SER A 7 7.009 -5.118 -11.264 1.00 14.40 O ATOM 68 CB SER A 7 9.583 -6.296 -13.166 1.00 60.25 C ATOM 69 OG SER A 7 10.179 -5.123 -12.632 1.00 1.52 O ATOM 0 H SER A 7 7.740 -4.208 -13.379 1.00 14.20 H new ATOM 0 HA SER A 7 7.680 -7.178 -13.535 1.00 55.43 H new ATOM 0 HB2 SER A 7 9.935 -7.165 -12.610 1.00 60.25 H new ATOM 0 HB3 SER A 7 9.905 -6.426 -14.199 1.00 60.25 H new ATOM 0 HG SER A 7 11.155 -5.199 -12.684 1.00 1.52 H new ATOM 74 N ARG A 8 7.500 -7.305 -10.983 1.00 20.20 N ATOM 75 CA ARG A 8 6.896 -7.472 -9.667 1.00 14.22 C ATOM 76 C ARG A 8 7.632 -8.625 -8.989 1.00 1.13 C ATOM 77 O ARG A 8 7.290 -9.791 -9.206 1.00 42.54 O ATOM 78 CB ARG A 8 5.385 -7.702 -9.873 1.00 42.33 C ATOM 79 CG ARG A 8 4.562 -7.946 -8.602 1.00 62.22 C ATOM 80 CD ARG A 8 3.077 -7.699 -8.916 1.00 25.43 C ATOM 81 NE ARG A 8 2.174 -8.348 -7.953 1.00 21.41 N ATOM 82 CZ ARG A 8 1.721 -9.603 -8.027 1.00 30.04 C ATOM 83 NH1 ARG A 8 2.171 -10.446 -8.948 1.00 64.23 N ATOM 84 NH2 ARG A 8 0.797 -10.032 -7.184 1.00 72.01 N ATOM 0 H ARG A 8 7.952 -8.154 -11.321 1.00 20.20 H new ATOM 0 HA ARG A 8 6.988 -6.603 -9.015 1.00 14.22 H new ATOM 0 HB2 ARG A 8 4.973 -6.834 -10.388 1.00 42.33 H new ATOM 0 HB3 ARG A 8 5.255 -8.557 -10.536 1.00 42.33 H new ATOM 0 HG2 ARG A 8 4.708 -8.967 -8.248 1.00 62.22 H new ATOM 0 HG3 ARG A 8 4.894 -7.282 -7.804 1.00 62.22 H new ATOM 0 HD2 ARG A 8 2.885 -6.626 -8.921 1.00 25.43 H new ATOM 0 HD3 ARG A 8 2.856 -8.066 -9.918 1.00 25.43 H new ATOM 0 HE ARG A 8 1.866 -7.790 -7.157 1.00 21.41 H new ATOM 0 HH11 ARG A 8 2.877 -10.140 -9.618 1.00 64.23 H new ATOM 0 HH12 ARG A 8 1.811 -11.400 -8.986 1.00 64.23 H new ATOM 0 HH21 ARG A 8 0.425 -9.404 -6.472 1.00 72.01 H new ATOM 0 HH22 ARG A 8 0.456 -10.991 -7.246 1.00 72.01 H new ATOM 95 N ARG A 9 8.699 -8.332 -8.243 1.00 42.31 N ATOM 96 CA ARG A 9 9.488 -9.297 -7.460 1.00 50.31 C ATOM 97 C ARG A 9 10.344 -8.536 -6.448 1.00 12.54 C ATOM 98 O ARG A 9 10.271 -7.310 -6.394 1.00 74.21 O ATOM 99 CB ARG A 9 10.352 -10.201 -8.369 1.00 44.13 C ATOM 100 CG ARG A 9 11.525 -9.500 -9.079 1.00 64.41 C ATOM 101 CD ARG A 9 11.557 -9.724 -10.596 1.00 22.01 C ATOM 102 NE ARG A 9 11.865 -11.118 -10.982 1.00 32.11 N ATOM 103 CZ ARG A 9 11.425 -11.725 -12.094 1.00 20.43 C ATOM 104 NH1 ARG A 9 10.497 -11.165 -12.862 1.00 11.34 N ATOM 105 NH2 ARG A 9 11.903 -12.902 -12.474 1.00 44.34 N ATOM 0 H ARG A 9 9.055 -7.379 -8.162 1.00 42.31 H new ATOM 0 HA ARG A 9 8.808 -9.961 -6.926 1.00 50.31 H new ATOM 0 HB2 ARG A 9 10.750 -11.017 -7.767 1.00 44.13 H new ATOM 0 HB3 ARG A 9 9.707 -10.648 -9.126 1.00 44.13 H new ATOM 0 HG2 ARG A 9 11.469 -8.430 -8.881 1.00 64.41 H new ATOM 0 HG3 ARG A 9 12.462 -9.855 -8.649 1.00 64.41 H new ATOM 0 HD2 ARG A 9 10.591 -9.444 -11.017 1.00 22.01 H new ATOM 0 HD3 ARG A 9 12.301 -9.061 -11.037 1.00 22.01 H new ATOM 0 HE ARG A 9 12.458 -11.660 -10.354 1.00 32.11 H new ATOM 0 HH11 ARG A 9 10.106 -10.257 -12.610 1.00 11.34 H new ATOM 0 HH12 ARG A 9 10.175 -11.643 -13.704 1.00 11.34 H new ATOM 0 HH21 ARG A 9 12.621 -13.365 -11.917 1.00 44.34 H new ATOM 0 HH22 ARG A 9 11.553 -13.344 -13.324 1.00 44.34 H new ATOM 116 N ARG A 10 11.169 -9.242 -5.667 1.00 61.13 N ATOM 117 CA ARG A 10 12.263 -8.712 -4.838 1.00 13.31 C ATOM 118 C ARG A 10 13.317 -7.945 -5.666 1.00 44.42 C ATOM 119 O ARG A 10 14.465 -8.391 -5.774 1.00 20.11 O ATOM 120 CB ARG A 10 12.883 -9.859 -4.024 1.00 31.04 C ATOM 121 CG ARG A 10 11.960 -10.417 -2.929 1.00 34.33 C ATOM 122 CD ARG A 10 12.432 -11.742 -2.337 1.00 22.11 C ATOM 123 NE ARG A 10 11.467 -12.256 -1.344 1.00 74.04 N ATOM 124 CZ ARG A 10 11.547 -13.438 -0.724 1.00 23.41 C ATOM 125 NH1 ARG A 10 12.653 -14.162 -0.845 1.00 4.20 N ATOM 126 NH2 ARG A 10 10.542 -13.897 0.012 1.00 65.03 N ATOM 0 H ARG A 10 11.089 -10.256 -5.590 1.00 61.13 H new ATOM 0 HA ARG A 10 11.849 -7.975 -4.149 1.00 13.31 H new ATOM 0 HB2 ARG A 10 13.155 -10.667 -4.703 1.00 31.04 H new ATOM 0 HB3 ARG A 10 13.806 -9.506 -3.563 1.00 31.04 H new ATOM 0 HG2 ARG A 10 11.877 -9.682 -2.128 1.00 34.33 H new ATOM 0 HG3 ARG A 10 10.961 -10.551 -3.344 1.00 34.33 H new ATOM 0 HD2 ARG A 10 12.562 -12.474 -3.134 1.00 22.11 H new ATOM 0 HD3 ARG A 10 13.406 -11.607 -1.866 1.00 22.11 H new ATOM 0 HE ARG A 10 10.673 -11.659 -1.112 1.00 74.04 H new ATOM 0 HH11 ARG A 10 13.431 -13.815 -1.406 1.00 4.20 H new ATOM 0 HH12 ARG A 10 12.725 -15.065 -0.376 1.00 4.20 H new ATOM 0 HH21 ARG A 10 9.690 -13.346 0.112 1.00 65.03 H new ATOM 0 HH22 ARG A 10 10.622 -14.801 0.477 1.00 65.03 H new ATOM 137 N ARG A 11 12.960 -6.814 -6.284 1.00 52.25 N ATOM 138 CA ARG A 11 13.852 -5.988 -7.107 1.00 23.31 C ATOM 139 C ARG A 11 13.434 -4.516 -7.168 1.00 73.44 C ATOM 140 O ARG A 11 13.855 -3.789 -8.071 1.00 35.12 O ATOM 141 CB ARG A 11 13.946 -6.596 -8.524 1.00 51.41 C ATOM 142 CG ARG A 11 15.361 -6.602 -9.115 1.00 74.01 C ATOM 143 CD ARG A 11 16.224 -7.679 -8.447 1.00 1.14 C ATOM 144 NE ARG A 11 17.422 -7.973 -9.244 1.00 43.11 N ATOM 145 CZ ARG A 11 18.672 -7.575 -9.011 1.00 60.14 C ATOM 146 NH1 ARG A 11 18.981 -6.757 -8.015 1.00 63.44 N ATOM 147 NH2 ARG A 11 19.643 -8.009 -9.798 1.00 42.24 N ATOM 0 H ARG A 11 12.014 -6.436 -6.224 1.00 52.25 H new ATOM 0 HA ARG A 11 14.833 -5.994 -6.632 1.00 23.31 H new ATOM 0 HB2 ARG A 11 13.573 -7.620 -8.493 1.00 51.41 H new ATOM 0 HB3 ARG A 11 13.289 -6.038 -9.191 1.00 51.41 H new ATOM 0 HG2 ARG A 11 15.311 -6.783 -10.189 1.00 74.01 H new ATOM 0 HG3 ARG A 11 15.822 -5.624 -8.978 1.00 74.01 H new ATOM 0 HD2 ARG A 11 16.519 -7.346 -7.452 1.00 1.14 H new ATOM 0 HD3 ARG A 11 15.638 -8.589 -8.318 1.00 1.14 H new ATOM 0 HE ARG A 11 17.280 -8.550 -10.073 1.00 43.11 H new ATOM 0 HH11 ARG A 11 18.250 -6.410 -7.395 1.00 63.44 H new ATOM 0 HH12 ARG A 11 19.950 -6.475 -7.869 1.00 63.44 H new ATOM 0 HH21 ARG A 11 19.430 -8.640 -10.571 1.00 42.24 H new ATOM 0 HH22 ARG A 11 20.605 -7.713 -9.632 1.00 42.24 H new ATOM 158 N THR A 12 12.580 -4.067 -6.261 1.00 34.42 N ATOM 159 CA THR A 12 12.096 -2.692 -6.214 1.00 62.31 C ATOM 160 C THR A 12 11.879 -2.263 -4.760 1.00 34.33 C ATOM 161 O THR A 12 12.413 -2.900 -3.846 1.00 75.14 O ATOM 162 CB THR A 12 10.884 -2.554 -7.154 1.00 40.13 C ATOM 163 OG1 THR A 12 10.660 -1.203 -7.491 1.00 12.14 O ATOM 164 CG2 THR A 12 9.581 -3.135 -6.617 1.00 63.11 C ATOM 0 H THR A 12 12.196 -4.657 -5.523 1.00 34.42 H new ATOM 0 HA THR A 12 12.833 -1.984 -6.593 1.00 62.31 H new ATOM 0 HB THR A 12 11.158 -3.143 -8.029 1.00 40.13 H new ATOM 0 HG1 THR A 12 9.887 -1.139 -8.090 1.00 12.14 H new ATOM 0 HG21 THR A 12 8.788 -2.989 -7.350 1.00 63.11 H new ATOM 0 HG22 THR A 12 9.709 -4.201 -6.428 1.00 63.11 H new ATOM 0 HG23 THR A 12 9.313 -2.631 -5.688 1.00 63.11 H new ATOM 172 N ALA A 13 11.151 -1.169 -4.524 1.00 42.13 N ATOM 173 CA ALA A 13 10.822 -0.703 -3.184 1.00 52.55 C ATOM 174 C ALA A 13 10.103 -1.798 -2.385 1.00 52.25 C ATOM 175 O ALA A 13 10.509 -2.088 -1.259 1.00 75.15 O ATOM 176 CB ALA A 13 9.979 0.572 -3.267 1.00 34.41 C ATOM 0 H ALA A 13 10.773 -0.580 -5.266 1.00 42.13 H new ATOM 0 HA ALA A 13 11.746 -0.469 -2.656 1.00 52.55 H new ATOM 0 HB1 ALA A 13 9.737 0.914 -2.261 1.00 34.41 H new ATOM 0 HB2 ALA A 13 10.541 1.347 -3.788 1.00 34.41 H new ATOM 0 HB3 ALA A 13 9.058 0.364 -3.811 1.00 34.41 H new ATOM 182 N PHE A 14 9.084 -2.425 -2.981 1.00 1.13 N ATOM 183 CA PHE A 14 8.233 -3.438 -2.357 1.00 64.32 C ATOM 184 C PHE A 14 8.295 -4.698 -3.211 1.00 40.23 C ATOM 185 O PHE A 14 8.208 -4.603 -4.436 1.00 75.42 O ATOM 186 CB PHE A 14 6.781 -2.953 -2.284 1.00 54.54 C ATOM 187 CG PHE A 14 6.605 -1.666 -1.505 1.00 54.55 C ATOM 188 CD1 PHE A 14 6.781 -0.440 -2.169 1.00 3.11 C ATOM 189 CD2 PHE A 14 6.318 -1.680 -0.129 1.00 2.54 C ATOM 190 CE1 PHE A 14 6.674 0.770 -1.468 1.00 61.15 C ATOM 191 CE2 PHE A 14 6.181 -0.468 0.570 1.00 75.25 C ATOM 192 CZ PHE A 14 6.372 0.753 -0.099 1.00 62.41 C ATOM 0 H PHE A 14 8.821 -2.232 -3.947 1.00 1.13 H new ATOM 0 HA PHE A 14 8.583 -3.634 -1.344 1.00 64.32 H new ATOM 0 HB2 PHE A 14 6.405 -2.808 -3.297 1.00 54.54 H new ATOM 0 HB3 PHE A 14 6.171 -3.731 -1.825 1.00 54.54 H new ATOM 0 HD1 PHE A 14 7.000 -0.430 -3.226 1.00 3.11 H new ATOM 0 HD2 PHE A 14 6.203 -2.620 0.390 1.00 2.54 H new ATOM 0 HE1 PHE A 14 6.823 1.709 -1.980 1.00 61.15 H new ATOM 0 HE2 PHE A 14 5.929 -0.475 1.620 1.00 75.25 H new ATOM 0 HZ PHE A 14 6.286 1.683 0.444 1.00 62.41 H new ATOM 201 N THR A 15 8.426 -5.865 -2.596 1.00 2.53 N ATOM 202 CA THR A 15 8.567 -7.113 -3.332 1.00 64.31 C ATOM 203 C THR A 15 7.221 -7.528 -3.955 1.00 45.55 C ATOM 204 O THR A 15 6.214 -6.834 -3.791 1.00 62.14 O ATOM 205 CB THR A 15 9.199 -8.195 -2.440 1.00 71.42 C ATOM 206 OG1 THR A 15 8.239 -8.781 -1.597 1.00 34.11 O ATOM 207 CG2 THR A 15 10.321 -7.670 -1.531 1.00 44.42 C ATOM 0 H THR A 15 8.438 -5.973 -1.582 1.00 2.53 H new ATOM 0 HA THR A 15 9.253 -6.971 -4.167 1.00 64.31 H new ATOM 0 HB THR A 15 9.617 -8.917 -3.142 1.00 71.42 H new ATOM 0 HG1 THR A 15 8.666 -9.466 -1.042 1.00 34.11 H new ATOM 0 HG21 THR A 15 10.718 -8.490 -0.932 1.00 44.42 H new ATOM 0 HG22 THR A 15 11.118 -7.249 -2.143 1.00 44.42 H new ATOM 0 HG23 THR A 15 9.924 -6.898 -0.872 1.00 44.42 H new ATOM 215 N SER A 16 7.156 -8.664 -4.657 1.00 13.12 N ATOM 216 CA SER A 16 5.872 -9.220 -5.075 1.00 14.34 C ATOM 217 C SER A 16 5.028 -9.623 -3.871 1.00 3.44 C ATOM 218 O SER A 16 3.812 -9.460 -3.885 1.00 50.12 O ATOM 219 CB SER A 16 6.096 -10.443 -5.963 1.00 53.31 C ATOM 220 OG SER A 16 7.152 -11.280 -5.504 1.00 70.11 O ATOM 0 H SER A 16 7.969 -9.209 -4.943 1.00 13.12 H new ATOM 0 HA SER A 16 5.340 -8.449 -5.633 1.00 14.34 H new ATOM 0 HB2 SER A 16 5.175 -11.024 -6.011 1.00 53.31 H new ATOM 0 HB3 SER A 16 6.317 -10.112 -6.978 1.00 53.31 H new ATOM 0 HG SER A 16 7.249 -12.046 -6.108 1.00 70.11 H new ATOM 225 N GLU A 17 5.685 -10.181 -2.855 1.00 4.33 N ATOM 226 CA GLU A 17 5.120 -10.639 -1.615 1.00 12.32 C ATOM 227 C GLU A 17 4.557 -9.421 -0.903 1.00 72.43 C ATOM 228 O GLU A 17 3.356 -9.352 -0.682 1.00 10.14 O ATOM 229 CB GLU A 17 6.265 -11.326 -0.858 1.00 4.43 C ATOM 230 CG GLU A 17 5.782 -12.338 0.167 1.00 64.25 C ATOM 231 CD GLU A 17 6.944 -12.934 0.976 1.00 10.53 C ATOM 232 OE1 GLU A 17 8.138 -12.656 0.689 1.00 34.22 O ATOM 233 OE2 GLU A 17 6.696 -13.690 1.942 1.00 50.45 O ATOM 0 H GLU A 17 6.694 -10.329 -2.893 1.00 4.33 H new ATOM 0 HA GLU A 17 4.304 -11.354 -1.721 1.00 12.32 H new ATOM 0 HB2 GLU A 17 6.917 -11.827 -1.574 1.00 4.43 H new ATOM 0 HB3 GLU A 17 6.866 -10.568 -0.356 1.00 4.43 H new ATOM 0 HG2 GLU A 17 5.076 -11.859 0.845 1.00 64.25 H new ATOM 0 HG3 GLU A 17 5.244 -13.139 -0.340 1.00 64.25 H new ATOM 238 N GLN A 18 5.404 -8.424 -0.644 1.00 54.34 N ATOM 239 CA GLN A 18 4.996 -7.215 0.041 1.00 64.31 C ATOM 240 C GLN A 18 3.845 -6.552 -0.692 1.00 65.11 C ATOM 241 O GLN A 18 2.845 -6.256 -0.061 1.00 12.23 O ATOM 242 CB GLN A 18 6.174 -6.262 0.202 1.00 65.04 C ATOM 243 CG GLN A 18 7.220 -6.866 1.146 1.00 34.34 C ATOM 244 CD GLN A 18 8.366 -5.912 1.443 1.00 53.53 C ATOM 245 OE1 GLN A 18 8.772 -5.148 0.573 1.00 33.00 O ATOM 246 NE2 GLN A 18 8.905 -5.947 2.651 1.00 34.34 N ATOM 0 H GLN A 18 6.390 -8.440 -0.906 1.00 54.34 H new ATOM 0 HA GLN A 18 4.648 -7.482 1.039 1.00 64.31 H new ATOM 0 HB2 GLN A 18 6.624 -6.061 -0.770 1.00 65.04 H new ATOM 0 HB3 GLN A 18 5.827 -5.307 0.596 1.00 65.04 H new ATOM 0 HG2 GLN A 18 6.738 -7.150 2.081 1.00 34.34 H new ATOM 0 HG3 GLN A 18 7.619 -7.779 0.703 1.00 34.34 H new ATOM 0 HE21 GLN A 18 8.544 -6.594 3.352 1.00 34.34 H new ATOM 0 HE22 GLN A 18 9.681 -5.327 2.881 1.00 34.34 H new ATOM 253 N LEU A 19 3.932 -6.358 -2.012 1.00 21.40 N ATOM 254 CA LEU A 19 2.850 -5.677 -2.717 1.00 41.52 C ATOM 255 C LEU A 19 1.523 -6.412 -2.541 1.00 43.55 C ATOM 256 O LEU A 19 0.516 -5.736 -2.379 1.00 33.32 O ATOM 257 CB LEU A 19 3.167 -5.496 -4.211 1.00 41.51 C ATOM 258 CG LEU A 19 4.135 -4.352 -4.548 1.00 2.52 C ATOM 259 CD1 LEU A 19 4.313 -4.288 -6.070 1.00 20.34 C ATOM 260 CD2 LEU A 19 3.638 -2.991 -4.053 1.00 24.31 C ATOM 0 H LEU A 19 4.715 -6.653 -2.595 1.00 21.40 H new ATOM 0 HA LEU A 19 2.757 -4.687 -2.272 1.00 41.52 H new ATOM 0 HB2 LEU A 19 3.587 -6.427 -4.591 1.00 41.51 H new ATOM 0 HB3 LEU A 19 2.232 -5.327 -4.745 1.00 41.51 H new ATOM 0 HG LEU A 19 5.078 -4.561 -4.043 1.00 2.52 H new ATOM 0 HD11 LEU A 19 4.999 -3.479 -6.322 1.00 20.34 H new ATOM 0 HD12 LEU A 19 4.720 -5.234 -6.429 1.00 20.34 H new ATOM 0 HD13 LEU A 19 3.347 -4.106 -6.542 1.00 20.34 H new ATOM 0 HD21 LEU A 19 4.362 -2.221 -4.319 1.00 24.31 H new ATOM 0 HD22 LEU A 19 2.678 -2.763 -4.517 1.00 24.31 H new ATOM 0 HD23 LEU A 19 3.519 -3.019 -2.970 1.00 24.31 H new ATOM 271 N LEU A 20 1.497 -7.752 -2.577 1.00 61.15 N ATOM 272 CA LEU A 20 0.278 -8.537 -2.385 1.00 33.10 C ATOM 273 C LEU A 20 -0.248 -8.411 -0.947 1.00 63.04 C ATOM 274 O LEU A 20 -1.460 -8.363 -0.744 1.00 45.54 O ATOM 275 CB LEU A 20 0.511 -10.000 -2.837 1.00 73.34 C ATOM 276 CG LEU A 20 0.676 -11.064 -1.729 1.00 23.43 C ATOM 277 CD1 LEU A 20 -0.676 -11.646 -1.299 1.00 62.33 C ATOM 278 CD2 LEU A 20 1.587 -12.203 -2.173 1.00 70.43 C ATOM 0 H LEU A 20 2.328 -8.321 -2.741 1.00 61.15 H new ATOM 0 HA LEU A 20 -0.513 -8.135 -3.018 1.00 33.10 H new ATOM 0 HB2 LEU A 20 -0.327 -10.296 -3.468 1.00 73.34 H new ATOM 0 HB3 LEU A 20 1.404 -10.022 -3.462 1.00 73.34 H new ATOM 0 HG LEU A 20 1.132 -10.554 -0.881 1.00 23.43 H new ATOM 0 HD11 LEU A 20 -0.520 -12.391 -0.519 1.00 62.33 H new ATOM 0 HD12 LEU A 20 -1.311 -10.847 -0.916 1.00 62.33 H new ATOM 0 HD13 LEU A 20 -1.160 -12.115 -2.156 1.00 62.33 H new ATOM 0 HD21 LEU A 20 1.678 -12.931 -1.367 1.00 70.43 H new ATOM 0 HD22 LEU A 20 1.162 -12.687 -3.053 1.00 70.43 H new ATOM 0 HD23 LEU A 20 2.573 -11.807 -2.417 1.00 70.43 H new ATOM 289 N GLU A 21 0.644 -8.389 0.046 1.00 24.23 N ATOM 290 CA GLU A 21 0.287 -8.372 1.462 1.00 72.33 C ATOM 291 C GLU A 21 -0.175 -6.961 1.888 1.00 70.44 C ATOM 292 O GLU A 21 -0.780 -6.779 2.944 1.00 33.02 O ATOM 293 CB GLU A 21 1.494 -8.813 2.305 1.00 4.53 C ATOM 294 CG GLU A 21 1.931 -10.285 2.145 1.00 62.14 C ATOM 295 CD GLU A 21 0.946 -11.301 2.727 1.00 11.30 C ATOM 296 OE1 GLU A 21 0.872 -11.430 3.975 1.00 43.53 O ATOM 297 OE2 GLU A 21 0.286 -12.014 1.948 1.00 32.42 O ATOM 0 H GLU A 21 1.651 -8.382 -0.117 1.00 24.23 H new ATOM 0 HA GLU A 21 -0.538 -9.066 1.626 1.00 72.33 H new ATOM 0 HB2 GLU A 21 2.341 -8.174 2.053 1.00 4.53 H new ATOM 0 HB3 GLU A 21 1.262 -8.636 3.355 1.00 4.53 H new ATOM 0 HG2 GLU A 21 2.070 -10.497 1.085 1.00 62.14 H new ATOM 0 HG3 GLU A 21 2.900 -10.419 2.627 1.00 62.14 H new ATOM 302 N LEU A 22 0.098 -5.953 1.060 1.00 51.32 N ATOM 303 CA LEU A 22 -0.174 -4.542 1.309 1.00 34.22 C ATOM 304 C LEU A 22 -1.511 -4.131 0.718 1.00 65.01 C ATOM 305 O LEU A 22 -2.294 -3.455 1.385 1.00 23.35 O ATOM 306 CB LEU A 22 0.949 -3.730 0.660 1.00 52.21 C ATOM 307 CG LEU A 22 2.092 -3.400 1.636 1.00 62.14 C ATOM 308 CD1 LEU A 22 2.539 -4.479 2.635 1.00 53.24 C ATOM 309 CD2 LEU A 22 3.293 -2.899 0.824 1.00 74.43 C ATOM 0 H LEU A 22 0.537 -6.109 0.153 1.00 51.32 H new ATOM 0 HA LEU A 22 -0.218 -4.361 2.383 1.00 34.22 H new ATOM 0 HB2 LEU A 22 1.351 -4.287 -0.186 1.00 52.21 H new ATOM 0 HB3 LEU A 22 0.537 -2.802 0.264 1.00 52.21 H new ATOM 0 HG LEU A 22 1.667 -2.643 2.295 1.00 62.14 H new ATOM 0 HD11 LEU A 22 3.351 -4.091 3.250 1.00 53.24 H new ATOM 0 HD12 LEU A 22 1.699 -4.754 3.274 1.00 53.24 H new ATOM 0 HD13 LEU A 22 2.884 -5.358 2.091 1.00 53.24 H new ATOM 0 HD21 LEU A 22 4.114 -2.660 1.499 1.00 74.43 H new ATOM 0 HD22 LEU A 22 3.610 -3.675 0.127 1.00 74.43 H new ATOM 0 HD23 LEU A 22 3.009 -2.006 0.267 1.00 74.43 H new ATOM 320 N GLU A 23 -1.803 -4.557 -0.512 1.00 31.23 N ATOM 321 CA GLU A 23 -3.135 -4.390 -1.076 1.00 41.53 C ATOM 322 C GLU A 23 -4.184 -5.152 -0.258 1.00 65.14 C ATOM 323 O GLU A 23 -5.364 -4.803 -0.308 1.00 72.43 O ATOM 324 CB GLU A 23 -3.128 -4.775 -2.561 1.00 14.41 C ATOM 325 CG GLU A 23 -2.765 -6.240 -2.804 1.00 25.44 C ATOM 326 CD GLU A 23 -3.062 -6.750 -4.216 1.00 5.10 C ATOM 327 OE1 GLU A 23 -3.101 -5.954 -5.187 1.00 44.25 O ATOM 328 OE2 GLU A 23 -3.177 -7.981 -4.402 1.00 65.41 O ATOM 0 H GLU A 23 -1.136 -5.018 -1.131 1.00 31.23 H new ATOM 0 HA GLU A 23 -3.421 -3.340 -1.019 1.00 41.53 H new ATOM 0 HB2 GLU A 23 -4.112 -4.577 -2.985 1.00 14.41 H new ATOM 0 HB3 GLU A 23 -2.418 -4.139 -3.091 1.00 14.41 H new ATOM 0 HG2 GLU A 23 -1.703 -6.375 -2.600 1.00 25.44 H new ATOM 0 HG3 GLU A 23 -3.308 -6.858 -2.088 1.00 25.44 H new ATOM 333 N LYS A 24 -3.753 -6.142 0.528 1.00 30.45 N ATOM 334 CA LYS A 24 -4.544 -6.806 1.543 1.00 31.42 C ATOM 335 C LYS A 24 -5.134 -5.772 2.504 1.00 64.02 C ATOM 336 O LYS A 24 -6.353 -5.657 2.576 1.00 22.13 O ATOM 337 CB LYS A 24 -3.667 -7.856 2.258 1.00 72.14 C ATOM 338 CG LYS A 24 -4.305 -9.246 2.303 1.00 2.52 C ATOM 339 CD LYS A 24 -3.863 -10.158 1.152 1.00 72.15 C ATOM 340 CE LYS A 24 -4.347 -9.651 -0.214 1.00 61.24 C ATOM 341 NZ LYS A 24 -4.073 -10.638 -1.274 1.00 25.24 N ATOM 0 H LYS A 24 -2.804 -6.511 0.465 1.00 30.45 H new ATOM 0 HA LYS A 24 -5.386 -7.331 1.092 1.00 31.42 H new ATOM 0 HB2 LYS A 24 -2.704 -7.922 1.751 1.00 72.14 H new ATOM 0 HB3 LYS A 24 -3.469 -7.521 3.276 1.00 72.14 H new ATOM 0 HG2 LYS A 24 -4.054 -9.722 3.251 1.00 2.52 H new ATOM 0 HG3 LYS A 24 -5.390 -9.141 2.277 1.00 2.52 H new ATOM 0 HD2 LYS A 24 -2.775 -10.230 1.146 1.00 72.15 H new ATOM 0 HD3 LYS A 24 -4.248 -11.164 1.321 1.00 72.15 H new ATOM 0 HE2 LYS A 24 -5.417 -9.446 -0.171 1.00 61.24 H new ATOM 0 HE3 LYS A 24 -3.852 -8.710 -0.452 1.00 61.24 H new ATOM 0 HZ1 LYS A 24 -3.642 -10.160 -2.091 1.00 25.24 H new ATOM 0 HZ2 LYS A 24 -3.420 -11.363 -0.913 1.00 25.24 H new ATOM 0 HZ3 LYS A 24 -4.963 -11.089 -1.567 1.00 25.24 H new ATOM 351 N GLU A 25 -4.295 -5.001 3.201 1.00 61.23 N ATOM 352 CA GLU A 25 -4.719 -4.144 4.310 1.00 31.44 C ATOM 353 C GLU A 25 -5.548 -2.932 3.867 1.00 30.21 C ATOM 354 O GLU A 25 -6.293 -2.363 4.666 1.00 71.20 O ATOM 355 CB GLU A 25 -3.491 -3.702 5.128 1.00 73.04 C ATOM 356 CG GLU A 25 -3.315 -4.524 6.406 1.00 62.02 C ATOM 357 CD GLU A 25 -4.185 -4.020 7.556 1.00 61.02 C ATOM 358 OE1 GLU A 25 -5.425 -4.103 7.464 1.00 51.11 O ATOM 359 OE2 GLU A 25 -3.629 -3.626 8.614 1.00 11.15 O ATOM 0 H GLU A 25 -3.294 -4.954 3.009 1.00 61.23 H new ATOM 0 HA GLU A 25 -5.382 -4.741 4.936 1.00 31.44 H new ATOM 0 HB2 GLU A 25 -2.596 -3.795 4.513 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -3.591 -2.648 5.388 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -3.561 -5.566 6.200 1.00 62.02 H new ATOM 0 HG3 GLU A 25 -2.268 -4.497 6.709 1.00 62.02 H new ATOM 364 N PHE A 26 -5.483 -2.526 2.592 1.00 10.25 N ATOM 365 CA PHE A 26 -6.334 -1.433 2.113 1.00 45.31 C ATOM 366 C PHE A 26 -7.814 -1.853 2.095 1.00 53.11 C ATOM 367 O PHE A 26 -8.700 -0.997 1.982 1.00 30.02 O ATOM 368 CB PHE A 26 -5.836 -0.931 0.746 1.00 24.04 C ATOM 369 CG PHE A 26 -6.511 0.344 0.255 1.00 2.53 C ATOM 370 CD1 PHE A 26 -6.236 1.585 0.869 1.00 1.25 C ATOM 371 CD2 PHE A 26 -7.434 0.290 -0.807 1.00 71.40 C ATOM 372 CE1 PHE A 26 -6.881 2.758 0.429 1.00 24.05 C ATOM 373 CE2 PHE A 26 -8.084 1.457 -1.244 1.00 52.51 C ATOM 374 CZ PHE A 26 -7.811 2.689 -0.623 1.00 52.52 C ATOM 0 H PHE A 26 -4.864 -2.929 1.888 1.00 10.25 H new ATOM 0 HA PHE A 26 -6.264 -0.595 2.806 1.00 45.31 H new ATOM 0 HB2 PHE A 26 -4.762 -0.758 0.807 1.00 24.04 H new ATOM 0 HB3 PHE A 26 -5.991 -1.717 0.007 1.00 24.04 H new ATOM 0 HD1 PHE A 26 -5.526 1.636 1.682 1.00 1.25 H new ATOM 0 HD2 PHE A 26 -7.644 -0.654 -1.289 1.00 71.40 H new ATOM 0 HE1 PHE A 26 -6.662 3.706 0.898 1.00 24.05 H new ATOM 0 HE2 PHE A 26 -8.793 1.408 -2.057 1.00 52.51 H new ATOM 0 HZ PHE A 26 -8.317 3.584 -0.955 1.00 52.52 H new ATOM 383 N HIS A 27 -8.101 -3.151 2.218 1.00 62.01 N ATOM 384 CA HIS A 27 -9.432 -3.720 2.172 1.00 33.41 C ATOM 385 C HIS A 27 -10.246 -3.336 3.408 1.00 30.35 C ATOM 386 O HIS A 27 -11.359 -2.830 3.232 1.00 31.31 O ATOM 387 CB HIS A 27 -9.289 -5.227 2.009 1.00 13.33 C ATOM 388 CG HIS A 27 -10.555 -5.993 1.733 1.00 65.14 C ATOM 389 ND1 HIS A 27 -10.846 -7.219 2.274 1.00 34.12 N ATOM 390 CD2 HIS A 27 -11.537 -5.689 0.828 1.00 4.42 C ATOM 391 CE1 HIS A 27 -11.976 -7.661 1.700 1.00 22.14 C ATOM 392 NE2 HIS A 27 -12.457 -6.747 0.834 1.00 54.22 N ATOM 0 H HIS A 27 -7.377 -3.855 2.358 1.00 62.01 H new ATOM 0 HA HIS A 27 -9.988 -3.320 1.324 1.00 33.41 H new ATOM 0 HB2 HIS A 27 -8.590 -5.418 1.195 1.00 13.33 H new ATOM 0 HB3 HIS A 27 -8.838 -5.628 2.917 1.00 13.33 H new ATOM 0 HD2 HIS A 27 -11.593 -4.798 0.221 1.00 4.42 H new ATOM 0 HE1 HIS A 27 -12.436 -8.617 1.904 1.00 22.14 H new ATOM 0 HE2 HIS A 27 -13.318 -6.812 0.291 1.00 54.22 H new ATOM 399 N CYS A 28 -9.721 -3.457 4.635 1.00 25.41 N ATOM 400 CA CYS A 28 -10.456 -3.083 5.852 1.00 21.45 C ATOM 401 C CYS A 28 -9.904 -1.840 6.551 1.00 74.21 C ATOM 402 O CYS A 28 -10.647 -1.230 7.325 1.00 51.30 O ATOM 403 CB CYS A 28 -10.573 -4.244 6.848 1.00 31.23 C ATOM 404 SG CYS A 28 -11.192 -5.731 6.016 1.00 73.23 S ATOM 0 H CYS A 28 -8.782 -3.814 4.812 1.00 25.41 H new ATOM 0 HA CYS A 28 -11.455 -2.830 5.497 1.00 21.45 H new ATOM 0 HB2 CYS A 28 -9.600 -4.448 7.294 1.00 31.23 H new ATOM 0 HB3 CYS A 28 -11.245 -3.968 7.661 1.00 31.23 H new ATOM 0 HG CYS A 28 -11.282 -6.703 6.875 1.00 73.23 H new ATOM 409 N LYS A 29 -8.672 -1.398 6.272 1.00 64.43 N ATOM 410 CA LYS A 29 -8.153 -0.138 6.802 1.00 50.41 C ATOM 411 C LYS A 29 -7.663 0.731 5.652 1.00 24.15 C ATOM 412 O LYS A 29 -6.555 0.569 5.149 1.00 45.54 O ATOM 413 CB LYS A 29 -7.087 -0.391 7.880 1.00 11.45 C ATOM 414 CG LYS A 29 -7.685 -1.034 9.145 1.00 22.05 C ATOM 415 CD LYS A 29 -6.751 -0.896 10.357 1.00 43.14 C ATOM 416 CE LYS A 29 -7.485 -1.257 11.655 1.00 30.24 C ATOM 417 NZ LYS A 29 -7.491 -2.700 11.939 1.00 31.33 N ATOM 0 H LYS A 29 -8.014 -1.901 5.677 1.00 64.43 H new ATOM 0 HA LYS A 29 -8.949 0.411 7.304 1.00 50.41 H new ATOM 0 HB2 LYS A 29 -6.310 -1.040 7.476 1.00 11.45 H new ATOM 0 HB3 LYS A 29 -6.608 0.552 8.145 1.00 11.45 H new ATOM 0 HG2 LYS A 29 -8.643 -0.567 9.371 1.00 22.05 H new ATOM 0 HG3 LYS A 29 -7.881 -2.090 8.957 1.00 22.05 H new ATOM 0 HD2 LYS A 29 -5.885 -1.546 10.231 1.00 43.14 H new ATOM 0 HD3 LYS A 29 -6.376 0.126 10.418 1.00 43.14 H new ATOM 0 HE2 LYS A 29 -7.016 -0.732 12.487 1.00 30.24 H new ATOM 0 HE3 LYS A 29 -8.514 -0.902 11.593 1.00 30.24 H new ATOM 0 HZ1 LYS A 29 -8.441 -2.989 12.250 1.00 31.33 H new ATOM 0 HZ2 LYS A 29 -7.234 -3.224 11.078 1.00 31.33 H new ATOM 0 HZ3 LYS A 29 -6.803 -2.909 12.690 1.00 31.33 H new ATOM 427 N LYS A 30 -8.477 1.712 5.243 1.00 73.42 N ATOM 428 CA LYS A 30 -8.092 2.681 4.219 1.00 31.22 C ATOM 429 C LYS A 30 -6.820 3.400 4.669 1.00 23.35 C ATOM 430 O LYS A 30 -5.959 3.693 3.836 1.00 53.14 O ATOM 431 CB LYS A 30 -9.234 3.689 3.964 1.00 73.33 C ATOM 432 CG LYS A 30 -10.551 3.105 3.420 1.00 5.55 C ATOM 433 CD LYS A 30 -10.405 2.508 2.008 1.00 21.32 C ATOM 434 CE LYS A 30 -11.739 2.037 1.402 1.00 65.34 C ATOM 435 NZ LYS A 30 -12.417 1.019 2.230 1.00 43.32 N ATOM 0 H LYS A 30 -9.417 1.853 5.613 1.00 73.42 H new ATOM 0 HA LYS A 30 -7.899 2.161 3.281 1.00 31.22 H new ATOM 0 HB2 LYS A 30 -9.449 4.206 4.899 1.00 73.33 H new ATOM 0 HB3 LYS A 30 -8.876 4.440 3.260 1.00 73.33 H new ATOM 0 HG2 LYS A 30 -10.908 2.332 4.100 1.00 5.55 H new ATOM 0 HG3 LYS A 30 -11.309 3.888 3.401 1.00 5.55 H new ATOM 0 HD2 LYS A 30 -9.959 3.254 1.350 1.00 21.32 H new ATOM 0 HD3 LYS A 30 -9.715 1.665 2.048 1.00 21.32 H new ATOM 0 HE2 LYS A 30 -12.399 2.895 1.277 1.00 65.34 H new ATOM 0 HE3 LYS A 30 -11.557 1.628 0.408 1.00 65.34 H new ATOM 0 HZ1 LYS A 30 -13.300 0.726 1.766 1.00 43.32 H new ATOM 0 HZ2 LYS A 30 -11.795 0.193 2.343 1.00 43.32 H new ATOM 0 HZ3 LYS A 30 -12.633 1.420 3.165 1.00 43.32 H new ATOM 445 N TYR A 31 -6.696 3.703 5.961 1.00 24.04 N ATOM 446 CA TYR A 31 -5.496 4.264 6.550 1.00 70.04 C ATOM 447 C TYR A 31 -5.291 3.628 7.915 1.00 74.02 C ATOM 448 O TYR A 31 -6.232 3.487 8.699 1.00 51.50 O ATOM 449 CB TYR A 31 -5.581 5.795 6.627 1.00 14.42 C ATOM 450 CG TYR A 31 -6.865 6.364 7.194 1.00 32.25 C ATOM 451 CD1 TYR A 31 -7.957 6.615 6.339 1.00 14.51 C ATOM 452 CD2 TYR A 31 -6.972 6.635 8.570 1.00 5.11 C ATOM 453 CE1 TYR A 31 -9.135 7.186 6.848 1.00 43.22 C ATOM 454 CE2 TYR A 31 -8.160 7.172 9.091 1.00 51.14 C ATOM 455 CZ TYR A 31 -9.238 7.465 8.227 1.00 50.33 C ATOM 456 OH TYR A 31 -10.383 8.000 8.718 1.00 1.25 O ATOM 0 H TYR A 31 -7.447 3.559 6.636 1.00 24.04 H new ATOM 0 HA TYR A 31 -4.632 4.043 5.924 1.00 70.04 H new ATOM 0 HB2 TYR A 31 -4.749 6.155 7.233 1.00 14.42 H new ATOM 0 HB3 TYR A 31 -5.441 6.197 5.624 1.00 14.42 H new ATOM 0 HD1 TYR A 31 -7.888 6.368 5.290 1.00 14.51 H new ATOM 0 HD2 TYR A 31 -6.139 6.430 9.227 1.00 5.11 H new ATOM 0 HE1 TYR A 31 -9.959 7.411 6.186 1.00 43.22 H new ATOM 0 HE2 TYR A 31 -8.249 7.361 10.151 1.00 51.14 H new ATOM 0 HH TYR A 31 -10.294 8.131 9.685 1.00 1.25 H new ATOM 465 N LEU A 32 -4.057 3.225 8.179 1.00 12.44 N ATOM 466 CA LEU A 32 -3.599 2.682 9.433 1.00 50.40 C ATOM 467 C LEU A 32 -3.426 3.819 10.412 1.00 24.45 C ATOM 468 O LEU A 32 -2.934 4.890 10.062 1.00 63.24 O ATOM 469 CB LEU A 32 -2.251 1.992 9.190 1.00 45.31 C ATOM 470 CG LEU A 32 -2.278 0.779 8.242 1.00 11.43 C ATOM 471 CD1 LEU A 32 -3.559 -0.057 8.356 1.00 64.20 C ATOM 472 CD2 LEU A 32 -2.025 1.161 6.779 1.00 23.21 C ATOM 0 H LEU A 32 -3.314 3.274 7.481 1.00 12.44 H new ATOM 0 HA LEU A 32 -4.313 1.963 9.835 1.00 50.40 H new ATOM 0 HB2 LEU A 32 -1.555 2.728 8.787 1.00 45.31 H new ATOM 0 HB3 LEU A 32 -1.852 1.669 10.151 1.00 45.31 H new ATOM 0 HG LEU A 32 -1.450 0.155 8.577 1.00 11.43 H new ATOM 0 HD11 LEU A 32 -3.510 -0.895 7.660 1.00 64.20 H new ATOM 0 HD12 LEU A 32 -3.657 -0.436 9.373 1.00 64.20 H new ATOM 0 HD13 LEU A 32 -4.422 0.564 8.115 1.00 64.20 H new ATOM 0 HD21 LEU A 32 -2.056 0.265 6.159 1.00 23.21 H new ATOM 0 HD22 LEU A 32 -2.794 1.859 6.447 1.00 23.21 H new ATOM 0 HD23 LEU A 32 -1.045 1.631 6.690 1.00 23.21 H new ATOM 483 N SER A 33 -3.797 3.554 11.654 1.00 42.34 N ATOM 484 CA SER A 33 -3.338 4.318 12.794 1.00 12.45 C ATOM 485 C SER A 33 -1.877 3.961 13.098 1.00 33.22 C ATOM 486 O SER A 33 -1.334 3.019 12.525 1.00 24.25 O ATOM 487 CB SER A 33 -4.283 4.000 13.949 1.00 24.14 C ATOM 488 OG SER A 33 -5.550 4.565 13.661 1.00 54.23 O ATOM 0 H SER A 33 -4.432 2.794 11.898 1.00 42.34 H new ATOM 0 HA SER A 33 -3.355 5.392 12.609 1.00 12.45 H new ATOM 0 HB2 SER A 33 -4.370 2.922 14.081 1.00 24.14 H new ATOM 0 HB3 SER A 33 -3.891 4.405 14.882 1.00 24.14 H new ATOM 0 HG SER A 33 -6.170 4.368 14.394 1.00 54.23 H new ATOM 493 N LEU A 34 -1.244 4.712 13.997 1.00 14.22 N ATOM 494 CA LEU A 34 0.183 4.644 14.327 1.00 12.34 C ATOM 495 C LEU A 34 0.601 3.232 14.742 1.00 3.42 C ATOM 496 O LEU A 34 1.625 2.707 14.304 1.00 24.01 O ATOM 497 CB LEU A 34 0.472 5.652 15.461 1.00 73.13 C ATOM 498 CG LEU A 34 1.699 6.536 15.211 1.00 15.14 C ATOM 499 CD1 LEU A 34 1.762 7.613 16.299 1.00 62.11 C ATOM 500 CD2 LEU A 34 2.987 5.722 15.198 1.00 23.25 C ATOM 0 H LEU A 34 -1.734 5.420 14.543 1.00 14.22 H new ATOM 0 HA LEU A 34 0.765 4.898 13.441 1.00 12.34 H new ATOM 0 HB2 LEU A 34 -0.401 6.290 15.597 1.00 73.13 H new ATOM 0 HB3 LEU A 34 0.615 5.104 16.392 1.00 73.13 H new ATOM 0 HG LEU A 34 1.601 6.999 14.229 1.00 15.14 H new ATOM 0 HD11 LEU A 34 2.631 8.249 16.132 1.00 62.11 H new ATOM 0 HD12 LEU A 34 0.857 8.219 16.264 1.00 62.11 H new ATOM 0 HD13 LEU A 34 1.842 7.138 17.277 1.00 62.11 H new ATOM 0 HD21 LEU A 34 3.834 6.384 15.018 1.00 23.25 H new ATOM 0 HD22 LEU A 34 3.113 5.225 16.160 1.00 23.25 H new ATOM 0 HD23 LEU A 34 2.937 4.974 14.407 1.00 23.25 H new ATOM 511 N THR A 35 -0.212 2.612 15.588 1.00 32.25 N ATOM 512 CA THR A 35 0.006 1.267 16.089 1.00 12.31 C ATOM 513 C THR A 35 -0.183 0.247 14.958 1.00 12.42 C ATOM 514 O THR A 35 0.614 -0.677 14.835 1.00 54.40 O ATOM 515 CB THR A 35 -0.977 1.015 17.243 1.00 54.34 C ATOM 516 OG1 THR A 35 -1.112 2.151 18.095 1.00 22.41 O ATOM 517 CG2 THR A 35 -0.575 -0.192 18.087 1.00 23.13 C ATOM 0 H THR A 35 -1.061 3.044 15.952 1.00 32.25 H new ATOM 0 HA THR A 35 1.026 1.158 16.459 1.00 12.31 H new ATOM 0 HB THR A 35 -1.937 0.813 16.769 1.00 54.34 H new ATOM 0 HG1 THR A 35 -1.747 1.948 18.813 1.00 22.41 H new ATOM 0 HG21 THR A 35 -1.298 -0.332 18.890 1.00 23.13 H new ATOM 0 HG22 THR A 35 -0.553 -1.083 17.460 1.00 23.13 H new ATOM 0 HG23 THR A 35 0.414 -0.024 18.514 1.00 23.13 H new ATOM 525 N GLU A 36 -1.195 0.423 14.105 1.00 54.11 N ATOM 526 CA GLU A 36 -1.527 -0.535 13.054 1.00 65.20 C ATOM 527 C GLU A 36 -0.405 -0.543 12.009 1.00 44.54 C ATOM 528 O GLU A 36 0.034 -1.583 11.529 1.00 43.20 O ATOM 529 CB GLU A 36 -2.867 -0.204 12.390 1.00 63.30 C ATOM 530 CG GLU A 36 -4.005 0.007 13.382 1.00 44.20 C ATOM 531 CD GLU A 36 -4.394 -1.230 14.189 1.00 54.31 C ATOM 532 OE1 GLU A 36 -3.732 -1.476 15.226 1.00 10.22 O ATOM 533 OE2 GLU A 36 -5.422 -1.855 13.856 1.00 32.21 O ATOM 0 H GLU A 36 -1.808 1.238 14.126 1.00 54.11 H new ATOM 0 HA GLU A 36 -1.623 -1.523 13.505 1.00 65.20 H new ATOM 0 HB2 GLU A 36 -2.751 0.696 11.786 1.00 63.30 H new ATOM 0 HB3 GLU A 36 -3.135 -1.012 11.709 1.00 63.30 H new ATOM 0 HG2 GLU A 36 -3.721 0.800 14.074 1.00 44.20 H new ATOM 0 HG3 GLU A 36 -4.882 0.358 12.837 1.00 44.20 H new ATOM 538 N ARG A 37 0.103 0.653 11.688 1.00 13.33 N ATOM 539 CA ARG A 37 1.197 0.909 10.753 1.00 25.25 C ATOM 540 C ARG A 37 2.470 0.196 11.217 1.00 51.14 C ATOM 541 O ARG A 37 3.213 -0.318 10.378 1.00 25.33 O ATOM 542 CB ARG A 37 1.375 2.434 10.671 1.00 24.01 C ATOM 543 CG ARG A 37 2.340 2.900 9.578 1.00 10.42 C ATOM 544 CD ARG A 37 2.348 4.428 9.502 1.00 0.21 C ATOM 545 NE ARG A 37 2.903 5.043 10.717 1.00 64.21 N ATOM 546 CZ ARG A 37 2.681 6.263 11.215 1.00 2.11 C ATOM 547 NH1 ARG A 37 1.725 7.059 10.741 1.00 22.01 N ATOM 548 NH2 ARG A 37 3.449 6.681 12.211 1.00 4.13 N ATOM 0 H ARG A 37 -0.261 1.513 12.098 1.00 13.33 H new ATOM 0 HA ARG A 37 0.975 0.517 9.760 1.00 25.25 H new ATOM 0 HB2 ARG A 37 0.401 2.892 10.499 1.00 24.01 H new ATOM 0 HB3 ARG A 37 1.733 2.798 11.634 1.00 24.01 H new ATOM 0 HG2 ARG A 37 3.345 2.533 9.788 1.00 10.42 H new ATOM 0 HG3 ARG A 37 2.042 2.482 8.616 1.00 10.42 H new ATOM 0 HD2 ARG A 37 2.932 4.744 8.638 1.00 0.21 H new ATOM 0 HD3 ARG A 37 1.331 4.787 9.347 1.00 0.21 H new ATOM 0 HE ARG A 37 3.545 4.459 11.253 1.00 64.21 H new ATOM 0 HH11 ARG A 37 1.133 6.743 9.973 1.00 22.01 H new ATOM 0 HH12 ARG A 37 1.584 7.984 11.146 1.00 22.01 H new ATOM 0 HH21 ARG A 37 4.185 6.076 12.576 1.00 4.13 H new ATOM 0 HH22 ARG A 37 3.304 7.607 12.612 1.00 4.13 H new ATOM 559 N SER A 38 2.694 0.144 12.535 1.00 22.33 N ATOM 560 CA SER A 38 3.740 -0.644 13.161 1.00 34.42 C ATOM 561 C SER A 38 3.613 -2.113 12.734 1.00 32.44 C ATOM 562 O SER A 38 4.602 -2.723 12.331 1.00 5.33 O ATOM 563 CB SER A 38 3.607 -0.493 14.681 1.00 45.34 C ATOM 564 OG SER A 38 4.803 -0.106 15.318 1.00 43.31 O ATOM 0 H SER A 38 2.132 0.667 13.207 1.00 22.33 H new ATOM 0 HA SER A 38 4.724 -0.295 12.849 1.00 34.42 H new ATOM 0 HB2 SER A 38 2.835 0.245 14.898 1.00 45.34 H new ATOM 0 HB3 SER A 38 3.271 -1.440 15.103 1.00 45.34 H new ATOM 0 HG SER A 38 4.649 -0.026 16.283 1.00 43.31 H new ATOM 569 N GLN A 39 2.406 -2.688 12.798 1.00 65.30 N ATOM 570 CA GLN A 39 2.183 -4.109 12.568 1.00 51.51 C ATOM 571 C GLN A 39 2.582 -4.482 11.146 1.00 61.24 C ATOM 572 O GLN A 39 3.383 -5.397 10.971 1.00 12.13 O ATOM 573 CB GLN A 39 0.732 -4.521 12.861 1.00 63.24 C ATOM 574 CG GLN A 39 0.283 -4.142 14.279 1.00 13.34 C ATOM 575 CD GLN A 39 -1.128 -4.618 14.610 1.00 2.51 C ATOM 576 OE1 GLN A 39 -1.688 -5.494 13.960 1.00 14.42 O ATOM 577 NE2 GLN A 39 -1.730 -4.063 15.649 1.00 61.12 N ATOM 0 H GLN A 39 1.554 -2.171 13.013 1.00 65.30 H new ATOM 0 HA GLN A 39 2.814 -4.660 13.265 1.00 51.51 H new ATOM 0 HB2 GLN A 39 0.071 -4.047 12.136 1.00 63.24 H new ATOM 0 HB3 GLN A 39 0.631 -5.598 12.728 1.00 63.24 H new ATOM 0 HG2 GLN A 39 0.981 -4.567 15.000 1.00 13.34 H new ATOM 0 HG3 GLN A 39 0.330 -3.059 14.391 1.00 13.34 H new ATOM 0 HE21 GLN A 39 -1.256 -3.335 16.184 1.00 61.12 H new ATOM 0 HE22 GLN A 39 -2.668 -4.363 15.915 1.00 61.12 H new ATOM 584 N ILE A 40 2.090 -3.747 10.144 1.00 53.34 N ATOM 585 CA ILE A 40 2.406 -4.005 8.741 1.00 43.12 C ATOM 586 C ILE A 40 3.923 -3.930 8.522 1.00 45.13 C ATOM 587 O ILE A 40 4.503 -4.787 7.854 1.00 31.21 O ATOM 588 CB ILE A 40 1.643 -3.021 7.834 1.00 34.22 C ATOM 589 CG1 ILE A 40 0.120 -3.134 8.063 1.00 25.45 C ATOM 590 CG2 ILE A 40 1.969 -3.269 6.347 1.00 3.50 C ATOM 591 CD1 ILE A 40 -0.691 -2.181 7.184 1.00 53.21 C ATOM 0 H ILE A 40 1.461 -2.956 10.286 1.00 53.34 H new ATOM 0 HA ILE A 40 2.083 -5.012 8.475 1.00 43.12 H new ATOM 0 HB ILE A 40 1.966 -2.013 8.096 1.00 34.22 H new ATOM 0 HG12 ILE A 40 -0.196 -4.158 7.866 1.00 25.45 H new ATOM 0 HG13 ILE A 40 -0.100 -2.929 9.111 1.00 25.45 H new ATOM 0 HG21 ILE A 40 1.416 -2.560 5.730 1.00 3.50 H new ATOM 0 HG22 ILE A 40 3.038 -3.137 6.182 1.00 3.50 H new ATOM 0 HG23 ILE A 40 1.683 -4.285 6.076 1.00 3.50 H new ATOM 0 HD11 ILE A 40 -1.753 -2.309 7.392 1.00 53.21 H new ATOM 0 HD12 ILE A 40 -0.401 -1.152 7.398 1.00 53.21 H new ATOM 0 HD13 ILE A 40 -0.498 -2.401 6.134 1.00 53.21 H new ATOM 602 N ALA A 41 4.591 -2.923 9.089 1.00 44.11 N ATOM 603 CA ALA A 41 6.029 -2.804 8.916 1.00 34.22 C ATOM 604 C ALA A 41 6.777 -3.988 9.536 1.00 41.51 C ATOM 605 O ALA A 41 7.805 -4.403 8.997 1.00 53.53 O ATOM 606 CB ALA A 41 6.504 -1.471 9.511 1.00 24.44 C ATOM 0 H ALA A 41 4.164 -2.194 9.660 1.00 44.11 H new ATOM 0 HA ALA A 41 6.253 -2.820 7.849 1.00 34.22 H new ATOM 0 HB1 ALA A 41 7.583 -1.379 9.383 1.00 24.44 H new ATOM 0 HB2 ALA A 41 6.006 -0.647 9.000 1.00 24.44 H new ATOM 0 HB3 ALA A 41 6.261 -1.440 10.573 1.00 24.44 H new ATOM 612 N HIS A 42 6.290 -4.526 10.654 1.00 25.30 N ATOM 613 CA HIS A 42 6.949 -5.605 11.376 1.00 33.41 C ATOM 614 C HIS A 42 6.622 -6.971 10.756 1.00 5.34 C ATOM 615 O HIS A 42 7.462 -7.878 10.796 1.00 52.11 O ATOM 616 CB HIS A 42 6.555 -5.534 12.857 1.00 32.21 C ATOM 617 CG HIS A 42 7.017 -4.288 13.601 1.00 74.15 C ATOM 618 ND1 HIS A 42 7.074 -4.149 14.968 1.00 2.43 N ATOM 619 CD2 HIS A 42 7.484 -3.110 13.068 1.00 61.13 C ATOM 620 CE1 HIS A 42 7.547 -2.926 15.252 1.00 44.13 C ATOM 621 NE2 HIS A 42 7.827 -2.260 14.122 1.00 61.24 N ATOM 0 H HIS A 42 5.418 -4.219 11.085 1.00 25.30 H new ATOM 0 HA HIS A 42 8.030 -5.485 11.299 1.00 33.41 H new ATOM 0 HB2 HIS A 42 5.469 -5.597 12.929 1.00 32.21 H new ATOM 0 HB3 HIS A 42 6.960 -6.410 13.365 1.00 32.21 H new ATOM 0 HD2 HIS A 42 7.571 -2.881 12.016 1.00 61.13 H new ATOM 0 HE1 HIS A 42 7.683 -2.534 16.249 1.00 44.13 H new ATOM 0 HE2 HIS A 42 8.214 -1.319 14.047 1.00 61.24 H new ATOM 628 N ALA A 43 5.448 -7.111 10.134 1.00 21.10 N ATOM 629 CA ALA A 43 5.057 -8.222 9.280 1.00 42.15 C ATOM 630 C ALA A 43 6.082 -8.373 8.162 1.00 53.42 C ATOM 631 O ALA A 43 6.915 -9.279 8.194 1.00 74.05 O ATOM 632 CB ALA A 43 3.642 -8.006 8.734 1.00 3.30 C ATOM 0 H ALA A 43 4.710 -6.412 10.221 1.00 21.10 H new ATOM 0 HA ALA A 43 5.037 -9.146 9.857 1.00 42.15 H new ATOM 0 HB1 ALA A 43 3.366 -8.846 8.097 1.00 3.30 H new ATOM 0 HB2 ALA A 43 2.939 -7.933 9.564 1.00 3.30 H new ATOM 0 HB3 ALA A 43 3.613 -7.085 8.152 1.00 3.30 H new ATOM 638 N LEU A 44 6.041 -7.487 7.170 1.00 31.41 N ATOM 639 CA LEU A 44 6.752 -7.683 5.928 1.00 11.10 C ATOM 640 C LEU A 44 8.229 -7.319 5.953 1.00 12.12 C ATOM 641 O LEU A 44 8.904 -7.525 4.942 1.00 11.30 O ATOM 642 CB LEU A 44 6.041 -6.812 4.906 1.00 63.15 C ATOM 643 CG LEU A 44 4.582 -7.205 4.622 1.00 50.53 C ATOM 644 CD1 LEU A 44 4.266 -8.705 4.673 1.00 25.20 C ATOM 645 CD2 LEU A 44 3.577 -6.363 5.386 1.00 41.22 C ATOM 0 H LEU A 44 5.512 -6.616 7.213 1.00 31.41 H new ATOM 0 HA LEU A 44 6.740 -8.749 5.699 1.00 11.10 H new ATOM 0 HB2 LEU A 44 6.062 -5.779 5.253 1.00 63.15 H new ATOM 0 HB3 LEU A 44 6.599 -6.846 3.971 1.00 63.15 H new ATOM 0 HG LEU A 44 4.464 -6.960 3.566 1.00 50.53 H new ATOM 0 HD11 LEU A 44 3.209 -8.862 4.457 1.00 25.20 H new ATOM 0 HD12 LEU A 44 4.869 -9.229 3.932 1.00 25.20 H new ATOM 0 HD13 LEU A 44 4.495 -9.091 5.666 1.00 25.20 H new ATOM 0 HD21 LEU A 44 2.567 -6.691 5.141 1.00 41.22 H new ATOM 0 HD22 LEU A 44 3.746 -6.477 6.457 1.00 41.22 H new ATOM 0 HD23 LEU A 44 3.695 -5.315 5.110 1.00 41.22 H new ATOM 656 N LYS A 45 8.723 -6.740 7.047 1.00 53.44 N ATOM 657 CA LYS A 45 9.994 -6.023 7.093 1.00 61.44 C ATOM 658 C LYS A 45 9.946 -4.810 6.162 1.00 3.50 C ATOM 659 O LYS A 45 10.534 -4.783 5.078 1.00 33.41 O ATOM 660 CB LYS A 45 11.201 -6.952 6.838 1.00 64.01 C ATOM 661 CG LYS A 45 12.345 -6.568 7.784 1.00 3.12 C ATOM 662 CD LYS A 45 12.222 -7.334 9.112 1.00 5.22 C ATOM 663 CE LYS A 45 12.611 -6.488 10.324 1.00 71.14 C ATOM 664 NZ LYS A 45 13.013 -7.344 11.458 1.00 51.13 N ATOM 0 H LYS A 45 8.239 -6.758 7.945 1.00 53.44 H new ATOM 0 HA LYS A 45 10.145 -5.646 8.105 1.00 61.44 H new ATOM 0 HB2 LYS A 45 10.915 -7.991 6.998 1.00 64.01 H new ATOM 0 HB3 LYS A 45 11.527 -6.867 5.801 1.00 64.01 H new ATOM 0 HG2 LYS A 45 13.303 -6.791 7.315 1.00 3.12 H new ATOM 0 HG3 LYS A 45 12.325 -5.495 7.973 1.00 3.12 H new ATOM 0 HD2 LYS A 45 11.196 -7.681 9.232 1.00 5.22 H new ATOM 0 HD3 LYS A 45 12.856 -8.220 9.075 1.00 5.22 H new ATOM 0 HE2 LYS A 45 13.431 -5.821 10.058 1.00 71.14 H new ATOM 0 HE3 LYS A 45 11.771 -5.859 10.618 1.00 71.14 H new ATOM 0 HZ1 LYS A 45 13.273 -6.747 12.269 1.00 51.13 H new ATOM 0 HZ2 LYS A 45 12.221 -7.963 11.724 1.00 51.13 H new ATOM 0 HZ3 LYS A 45 13.829 -7.926 11.181 1.00 51.13 H new ATOM 674 N LEU A 46 9.214 -3.791 6.590 1.00 45.15 N ATOM 675 CA LEU A 46 9.166 -2.469 6.012 1.00 41.21 C ATOM 676 C LEU A 46 9.460 -1.472 7.127 1.00 1.52 C ATOM 677 O LEU A 46 9.849 -1.847 8.237 1.00 43.14 O ATOM 678 CB LEU A 46 7.803 -2.282 5.324 1.00 72.12 C ATOM 679 CG LEU A 46 7.757 -2.966 3.948 1.00 12.41 C ATOM 680 CD1 LEU A 46 6.318 -3.094 3.459 1.00 64.12 C ATOM 681 CD2 LEU A 46 8.589 -2.238 2.884 1.00 23.03 C ATOM 0 H LEU A 46 8.602 -3.878 7.401 1.00 45.15 H new ATOM 0 HA LEU A 46 9.914 -2.310 5.236 1.00 41.21 H new ATOM 0 HB2 LEU A 46 7.017 -2.690 5.959 1.00 72.12 H new ATOM 0 HB3 LEU A 46 7.598 -1.218 5.207 1.00 72.12 H new ATOM 0 HG LEU A 46 8.196 -3.954 4.089 1.00 12.41 H new ATOM 0 HD11 LEU A 46 6.307 -3.581 2.484 1.00 64.12 H new ATOM 0 HD12 LEU A 46 5.744 -3.690 4.168 1.00 64.12 H new ATOM 0 HD13 LEU A 46 5.873 -2.103 3.375 1.00 64.12 H new ATOM 0 HD21 LEU A 46 8.515 -2.771 1.936 1.00 23.03 H new ATOM 0 HD22 LEU A 46 8.213 -1.223 2.760 1.00 23.03 H new ATOM 0 HD23 LEU A 46 9.632 -2.202 3.199 1.00 23.03 H new ATOM 692 N SER A 47 9.306 -0.196 6.814 1.00 31.04 N ATOM 693 CA SER A 47 9.413 0.907 7.750 1.00 3.53 C ATOM 694 C SER A 47 8.098 1.660 7.677 1.00 3.31 C ATOM 695 O SER A 47 7.516 1.743 6.593 1.00 43.42 O ATOM 696 CB SER A 47 10.549 1.838 7.326 1.00 12.10 C ATOM 697 OG SER A 47 11.716 1.111 6.983 1.00 15.10 O ATOM 0 H SER A 47 9.095 0.110 5.864 1.00 31.04 H new ATOM 0 HA SER A 47 9.618 0.549 8.759 1.00 3.53 H new ATOM 0 HB2 SER A 47 10.230 2.439 6.474 1.00 12.10 H new ATOM 0 HB3 SER A 47 10.776 2.530 8.137 1.00 12.10 H new ATOM 0 HG SER A 47 12.423 1.735 6.715 1.00 15.10 H new ATOM 702 N GLU A 48 7.667 2.278 8.774 1.00 62.24 N ATOM 703 CA GLU A 48 6.407 3.021 8.838 1.00 42.51 C ATOM 704 C GLU A 48 6.219 4.003 7.678 1.00 40.10 C ATOM 705 O GLU A 48 5.099 4.188 7.216 1.00 53.54 O ATOM 706 CB GLU A 48 6.341 3.809 10.147 1.00 43.31 C ATOM 707 CG GLU A 48 6.218 2.936 11.395 1.00 42.54 C ATOM 708 CD GLU A 48 5.870 3.803 12.596 1.00 34.34 C ATOM 709 OE1 GLU A 48 4.712 4.258 12.660 1.00 12.13 O ATOM 710 OE2 GLU A 48 6.767 4.162 13.399 1.00 64.14 O ATOM 0 H GLU A 48 8.186 2.278 9.652 1.00 62.24 H new ATOM 0 HA GLU A 48 5.612 2.278 8.775 1.00 42.51 H new ATOM 0 HB2 GLU A 48 7.237 4.424 10.234 1.00 43.31 H new ATOM 0 HB3 GLU A 48 5.490 4.489 10.107 1.00 43.31 H new ATOM 0 HG2 GLU A 48 5.448 2.179 11.246 1.00 42.54 H new ATOM 0 HG3 GLU A 48 7.154 2.408 11.575 1.00 42.54 H new ATOM 715 N VAL A 49 7.300 4.611 7.189 1.00 11.44 N ATOM 716 CA VAL A 49 7.267 5.577 6.102 1.00 64.02 C ATOM 717 C VAL A 49 6.984 4.880 4.776 1.00 73.25 C ATOM 718 O VAL A 49 6.180 5.395 4.007 1.00 33.14 O ATOM 719 CB VAL A 49 8.567 6.404 6.099 1.00 32.23 C ATOM 720 CG1 VAL A 49 8.787 7.233 4.827 1.00 44.15 C ATOM 721 CG2 VAL A 49 8.493 7.376 7.280 1.00 1.22 C ATOM 0 H VAL A 49 8.239 4.439 7.548 1.00 11.44 H new ATOM 0 HA VAL A 49 6.448 6.280 6.252 1.00 64.02 H new ATOM 0 HB VAL A 49 9.395 5.698 6.161 1.00 32.23 H new ATOM 0 HG11 VAL A 49 9.724 7.784 4.909 1.00 44.15 H new ATOM 0 HG12 VAL A 49 8.830 6.570 3.963 1.00 44.15 H new ATOM 0 HG13 VAL A 49 7.963 7.936 4.704 1.00 44.15 H new ATOM 0 HG21 VAL A 49 9.399 7.981 7.311 1.00 1.22 H new ATOM 0 HG22 VAL A 49 7.626 8.027 7.162 1.00 1.22 H new ATOM 0 HG23 VAL A 49 8.401 6.813 8.209 1.00 1.22 H new ATOM 731 N GLN A 50 7.566 3.708 4.511 1.00 52.42 N ATOM 732 CA GLN A 50 7.225 2.940 3.325 1.00 40.52 C ATOM 733 C GLN A 50 5.741 2.589 3.366 1.00 20.32 C ATOM 734 O GLN A 50 5.041 2.747 2.365 1.00 42.45 O ATOM 735 CB GLN A 50 8.071 1.663 3.245 1.00 41.33 C ATOM 736 CG GLN A 50 9.579 1.916 3.080 1.00 24.23 C ATOM 737 CD GLN A 50 10.158 1.177 1.875 1.00 32.42 C ATOM 738 OE1 GLN A 50 10.986 0.283 2.015 1.00 64.04 O ATOM 739 NE2 GLN A 50 9.769 1.527 0.660 1.00 12.34 N ATOM 0 H GLN A 50 8.274 3.276 5.105 1.00 52.42 H new ATOM 0 HA GLN A 50 7.434 3.539 2.439 1.00 40.52 H new ATOM 0 HB2 GLN A 50 7.909 1.076 4.149 1.00 41.33 H new ATOM 0 HB3 GLN A 50 7.721 1.060 2.407 1.00 41.33 H new ATOM 0 HG2 GLN A 50 9.756 2.986 2.968 1.00 24.23 H new ATOM 0 HG3 GLN A 50 10.100 1.599 3.983 1.00 24.23 H new ATOM 0 HE21 GLN A 50 9.081 2.270 0.539 1.00 12.34 H new ATOM 0 HE22 GLN A 50 10.157 1.054 -0.156 1.00 12.34 H new ATOM 746 N VAL A 51 5.253 2.152 4.534 1.00 20.33 N ATOM 747 CA VAL A 51 3.851 1.775 4.691 1.00 23.04 C ATOM 748 C VAL A 51 2.988 3.006 4.372 1.00 62.13 C ATOM 749 O VAL A 51 2.110 2.985 3.511 1.00 4.23 O ATOM 750 CB VAL A 51 3.598 1.185 6.103 1.00 63.41 C ATOM 751 CG1 VAL A 51 2.167 0.639 6.223 1.00 30.14 C ATOM 752 CG2 VAL A 51 4.622 0.096 6.498 1.00 53.41 C ATOM 0 H VAL A 51 5.812 2.052 5.381 1.00 20.33 H new ATOM 0 HA VAL A 51 3.576 0.982 3.996 1.00 23.04 H new ATOM 0 HB VAL A 51 3.727 2.010 6.803 1.00 63.41 H new ATOM 0 HG11 VAL A 51 2.016 0.231 7.222 1.00 30.14 H new ATOM 0 HG12 VAL A 51 1.454 1.445 6.048 1.00 30.14 H new ATOM 0 HG13 VAL A 51 2.014 -0.147 5.483 1.00 30.14 H new ATOM 0 HG21 VAL A 51 4.390 -0.276 7.496 1.00 53.41 H new ATOM 0 HG22 VAL A 51 4.573 -0.726 5.784 1.00 53.41 H new ATOM 0 HG23 VAL A 51 5.626 0.521 6.493 1.00 53.41 H new ATOM 762 N LYS A 52 3.284 4.121 5.036 1.00 55.10 N ATOM 763 CA LYS A 52 2.601 5.398 4.913 1.00 43.50 C ATOM 764 C LYS A 52 2.558 5.902 3.479 1.00 53.34 C ATOM 765 O LYS A 52 1.462 6.223 3.023 1.00 60.31 O ATOM 766 CB LYS A 52 3.298 6.359 5.871 1.00 41.32 C ATOM 767 CG LYS A 52 2.908 7.830 5.752 1.00 2.52 C ATOM 768 CD LYS A 52 3.501 8.543 6.969 1.00 35.32 C ATOM 769 CE LYS A 52 3.642 10.031 6.686 1.00 0.32 C ATOM 770 NZ LYS A 52 4.031 10.750 7.916 1.00 44.24 N ATOM 0 H LYS A 52 4.049 4.155 5.710 1.00 55.10 H new ATOM 0 HA LYS A 52 1.549 5.301 5.183 1.00 43.50 H new ATOM 0 HB2 LYS A 52 3.096 6.032 6.891 1.00 41.32 H new ATOM 0 HB3 LYS A 52 4.374 6.276 5.717 1.00 41.32 H new ATOM 0 HG2 LYS A 52 3.293 8.259 4.827 1.00 2.52 H new ATOM 0 HG3 LYS A 52 1.824 7.942 5.728 1.00 2.52 H new ATOM 0 HD2 LYS A 52 2.861 8.389 7.838 1.00 35.32 H new ATOM 0 HD3 LYS A 52 4.475 8.117 7.211 1.00 35.32 H new ATOM 0 HE2 LYS A 52 4.391 10.192 5.910 1.00 0.32 H new ATOM 0 HE3 LYS A 52 2.700 10.427 6.307 1.00 0.32 H new ATOM 0 HZ1 LYS A 52 4.124 11.765 7.710 1.00 44.24 H new ATOM 0 HZ2 LYS A 52 3.303 10.610 8.645 1.00 44.24 H new ATOM 0 HZ3 LYS A 52 4.941 10.382 8.260 1.00 44.24 H new ATOM 780 N ILE A 53 3.696 6.036 2.794 1.00 24.13 N ATOM 781 CA ILE A 53 3.787 6.580 1.440 1.00 51.12 C ATOM 782 C ILE A 53 2.988 5.690 0.487 1.00 55.43 C ATOM 783 O ILE A 53 2.195 6.205 -0.304 1.00 40.31 O ATOM 784 CB ILE A 53 5.275 6.686 1.010 1.00 44.32 C ATOM 785 CG1 ILE A 53 5.999 7.753 1.861 1.00 60.30 C ATOM 786 CG2 ILE A 53 5.420 7.032 -0.488 1.00 20.12 C ATOM 787 CD1 ILE A 53 7.510 7.819 1.613 1.00 33.35 C ATOM 0 H ILE A 53 4.601 5.762 3.176 1.00 24.13 H new ATOM 0 HA ILE A 53 3.363 7.584 1.411 1.00 51.12 H new ATOM 0 HB ILE A 53 5.732 5.710 1.174 1.00 44.32 H new ATOM 0 HG12 ILE A 53 5.563 8.730 1.651 1.00 60.30 H new ATOM 0 HG13 ILE A 53 5.822 7.545 2.916 1.00 60.30 H new ATOM 0 HG21 ILE A 53 6.477 7.096 -0.746 1.00 20.12 H new ATOM 0 HG22 ILE A 53 4.947 6.255 -1.088 1.00 20.12 H new ATOM 0 HG23 ILE A 53 4.939 7.989 -0.689 1.00 20.12 H new ATOM 0 HD11 ILE A 53 7.949 8.590 2.246 1.00 33.35 H new ATOM 0 HD12 ILE A 53 7.960 6.855 1.851 1.00 33.35 H new ATOM 0 HD13 ILE A 53 7.697 8.058 0.566 1.00 33.35 H new ATOM 798 N TRP A 54 3.173 4.370 0.545 1.00 52.22 N ATOM 799 CA TRP A 54 2.460 3.473 -0.350 1.00 53.12 C ATOM 800 C TRP A 54 0.955 3.607 -0.123 1.00 74.11 C ATOM 801 O TRP A 54 0.218 3.824 -1.082 1.00 61.12 O ATOM 802 CB TRP A 54 2.930 2.043 -0.141 1.00 34.44 C ATOM 803 CG TRP A 54 2.418 1.051 -1.138 1.00 60.35 C ATOM 804 CD1 TRP A 54 3.067 0.636 -2.245 1.00 42.25 C ATOM 805 CD2 TRP A 54 1.155 0.330 -1.131 1.00 31.02 C ATOM 806 NE1 TRP A 54 2.286 -0.274 -2.928 1.00 11.43 N ATOM 807 CE2 TRP A 54 1.102 -0.530 -2.268 1.00 43.15 C ATOM 808 CE3 TRP A 54 0.059 0.305 -0.251 1.00 41.14 C ATOM 809 CZ2 TRP A 54 0.009 -1.381 -2.509 1.00 71.42 C ATOM 810 CZ3 TRP A 54 -1.043 -0.526 -0.485 1.00 13.32 C ATOM 811 CH2 TRP A 54 -1.075 -1.359 -1.618 1.00 52.54 C ATOM 0 H TRP A 54 3.805 3.907 1.198 1.00 52.22 H new ATOM 0 HA TRP A 54 2.673 3.744 -1.384 1.00 53.12 H new ATOM 0 HB2 TRP A 54 4.020 2.029 -0.165 1.00 34.44 H new ATOM 0 HB3 TRP A 54 2.629 1.721 0.856 1.00 34.44 H new ATOM 0 HD1 TRP A 54 4.049 0.966 -2.551 1.00 42.25 H new ATOM 0 HE1 TRP A 54 2.552 -0.705 -3.813 1.00 11.43 H new ATOM 0 HE3 TRP A 54 0.067 0.939 0.623 1.00 41.14 H new ATOM 0 HZ2 TRP A 54 0.004 -2.040 -3.365 1.00 71.42 H new ATOM 0 HZ3 TRP A 54 -1.872 -0.528 0.207 1.00 13.32 H new ATOM 0 HH2 TRP A 54 -1.936 -1.984 -1.803 1.00 52.54 H new ATOM 821 N PHE A 55 0.486 3.538 1.130 1.00 34.33 N ATOM 822 CA PHE A 55 -0.933 3.690 1.435 1.00 35.05 C ATOM 823 C PHE A 55 -1.441 5.072 1.011 1.00 34.02 C ATOM 824 O PHE A 55 -2.531 5.170 0.453 1.00 72.11 O ATOM 825 CB PHE A 55 -1.222 3.393 2.913 1.00 53.40 C ATOM 826 CG PHE A 55 -1.581 1.947 3.172 1.00 5.35 C ATOM 827 CD1 PHE A 55 -0.581 0.957 3.215 1.00 13.21 C ATOM 828 CD2 PHE A 55 -2.931 1.579 3.329 1.00 72.31 C ATOM 829 CE1 PHE A 55 -0.931 -0.396 3.341 1.00 31.04 C ATOM 830 CE2 PHE A 55 -3.278 0.229 3.483 1.00 44.31 C ATOM 831 CZ PHE A 55 -2.281 -0.759 3.451 1.00 10.13 C ATOM 0 H PHE A 55 1.075 3.377 1.947 1.00 34.33 H new ATOM 0 HA PHE A 55 -1.485 2.952 0.853 1.00 35.05 H new ATOM 0 HB2 PHE A 55 -0.347 3.655 3.507 1.00 53.40 H new ATOM 0 HB3 PHE A 55 -2.039 4.030 3.252 1.00 53.40 H new ATOM 0 HD1 PHE A 55 0.459 1.240 3.151 1.00 13.21 H new ATOM 0 HD2 PHE A 55 -3.700 2.337 3.331 1.00 72.31 H new ATOM 0 HE1 PHE A 55 -0.163 -1.155 3.353 1.00 31.04 H new ATOM 0 HE2 PHE A 55 -4.311 -0.050 3.626 1.00 44.31 H new ATOM 0 HZ PHE A 55 -2.555 -1.802 3.511 1.00 10.13 H new ATOM 840 N GLN A 56 -0.650 6.133 1.194 1.00 54.54 N ATOM 841 CA GLN A 56 -0.961 7.484 0.740 1.00 44.50 C ATOM 842 C GLN A 56 -1.221 7.491 -0.772 1.00 63.11 C ATOM 843 O GLN A 56 -2.198 8.097 -1.223 1.00 62.44 O ATOM 844 CB GLN A 56 0.194 8.442 1.116 1.00 11.21 C ATOM 845 CG GLN A 56 0.123 9.027 2.539 1.00 4.24 C ATOM 846 CD GLN A 56 -0.077 10.532 2.495 1.00 40.21 C ATOM 847 OE1 GLN A 56 -1.197 11.038 2.577 1.00 2.45 O ATOM 848 NE2 GLN A 56 1.010 11.263 2.323 1.00 3.23 N ATOM 0 H GLN A 56 0.247 6.070 1.675 1.00 54.54 H new ATOM 0 HA GLN A 56 -1.868 7.831 1.235 1.00 44.50 H new ATOM 0 HB2 GLN A 56 1.138 7.908 1.006 1.00 11.21 H new ATOM 0 HB3 GLN A 56 0.209 9.265 0.402 1.00 11.21 H new ATOM 0 HG2 GLN A 56 -0.697 8.563 3.087 1.00 4.24 H new ATOM 0 HG3 GLN A 56 1.040 8.793 3.079 1.00 4.24 H new ATOM 0 HE21 GLN A 56 1.923 10.812 2.259 1.00 3.23 H new ATOM 0 HE22 GLN A 56 0.936 12.278 2.254 1.00 3.23 H new ATOM 855 N ASN A 57 -0.380 6.823 -1.564 1.00 44.51 N ATOM 856 CA ASN A 57 -0.469 6.797 -3.010 1.00 62.04 C ATOM 857 C ASN A 57 -1.662 5.933 -3.421 1.00 33.02 C ATOM 858 O ASN A 57 -2.500 6.343 -4.228 1.00 75.42 O ATOM 859 CB ASN A 57 0.847 6.224 -3.551 1.00 21.15 C ATOM 860 CG ASN A 57 2.024 7.193 -3.474 1.00 61.11 C ATOM 861 OD1 ASN A 57 1.866 8.415 -3.478 1.00 21.25 O ATOM 862 ND2 ASN A 57 3.232 6.672 -3.390 1.00 40.40 N ATOM 0 H ASN A 57 0.399 6.274 -1.200 1.00 44.51 H new ATOM 0 HA ASN A 57 -0.620 7.796 -3.419 1.00 62.04 H new ATOM 0 HB2 ASN A 57 1.095 5.322 -2.992 1.00 21.15 H new ATOM 0 HB3 ASN A 57 0.702 5.926 -4.589 1.00 21.15 H new ATOM 0 HD21 ASN A 57 4.047 7.282 -3.327 1.00 40.40 H new ATOM 0 HD22 ASN A 57 3.351 5.659 -3.387 1.00 40.40 H new ATOM 868 N ARG A 58 -1.782 4.744 -2.830 1.00 54.33 N ATOM 869 CA ARG A 58 -2.873 3.805 -3.047 1.00 72.43 C ATOM 870 C ARG A 58 -4.226 4.466 -2.795 1.00 62.10 C ATOM 871 O ARG A 58 -5.154 4.285 -3.589 1.00 32.35 O ATOM 872 CB ARG A 58 -2.632 2.596 -2.123 1.00 54.44 C ATOM 873 CG ARG A 58 -3.737 1.527 -2.166 1.00 5.23 C ATOM 874 CD ARG A 58 -3.770 0.834 -3.534 1.00 74.30 C ATOM 875 NE ARG A 58 -4.988 0.041 -3.737 1.00 1.25 N ATOM 876 CZ ARG A 58 -6.149 0.480 -4.236 1.00 65.13 C ATOM 877 NH1 ARG A 58 -6.390 1.776 -4.421 1.00 24.21 N ATOM 878 NH2 ARG A 58 -7.067 -0.417 -4.558 1.00 43.10 N ATOM 0 H ARG A 58 -1.093 4.399 -2.162 1.00 54.33 H new ATOM 0 HA ARG A 58 -2.895 3.472 -4.085 1.00 72.43 H new ATOM 0 HB2 ARG A 58 -1.684 2.131 -2.394 1.00 54.44 H new ATOM 0 HB3 ARG A 58 -2.530 2.953 -1.098 1.00 54.44 H new ATOM 0 HG2 ARG A 58 -3.566 0.788 -1.383 1.00 5.23 H new ATOM 0 HG3 ARG A 58 -4.704 1.988 -1.963 1.00 5.23 H new ATOM 0 HD2 ARG A 58 -3.696 1.586 -4.320 1.00 74.30 H new ATOM 0 HD3 ARG A 58 -2.899 0.186 -3.630 1.00 74.30 H new ATOM 0 HE ARG A 58 -4.945 -0.943 -3.471 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -5.679 2.466 -4.180 1.00 24.21 H new ATOM 0 HH12 ARG A 58 -7.286 2.079 -4.804 1.00 24.21 H new ATOM 0 HH21 ARG A 58 -6.879 -1.410 -4.423 1.00 43.10 H new ATOM 0 HH22 ARG A 58 -7.963 -0.115 -4.941 1.00 43.10 H new ATOM 889 N ARG A 59 -4.364 5.215 -1.698 1.00 72.23 N ATOM 890 CA ARG A 59 -5.623 5.853 -1.330 1.00 62.01 C ATOM 891 C ARG A 59 -5.980 6.987 -2.279 1.00 43.30 C ATOM 892 O ARG A 59 -7.164 7.245 -2.490 1.00 74.11 O ATOM 893 CB ARG A 59 -5.546 6.350 0.122 1.00 20.24 C ATOM 894 CG ARG A 59 -6.955 6.538 0.703 1.00 40.43 C ATOM 895 CD ARG A 59 -7.022 6.430 2.227 1.00 5.25 C ATOM 896 NE ARG A 59 -6.295 7.482 2.959 1.00 23.43 N ATOM 897 CZ ARG A 59 -6.850 8.570 3.503 1.00 14.21 C ATOM 898 NH1 ARG A 59 -8.084 8.913 3.151 1.00 0.22 N ATOM 899 NH2 ARG A 59 -6.224 9.297 4.420 1.00 51.31 N ATOM 0 H ARG A 59 -3.604 5.394 -1.042 1.00 72.23 H new ATOM 0 HA ARG A 59 -6.419 5.112 -1.411 1.00 62.01 H new ATOM 0 HB2 ARG A 59 -4.989 5.635 0.728 1.00 20.24 H new ATOM 0 HB3 ARG A 59 -5.002 7.293 0.161 1.00 20.24 H new ATOM 0 HG2 ARG A 59 -7.333 7.515 0.402 1.00 40.43 H new ATOM 0 HG3 ARG A 59 -7.619 5.791 0.267 1.00 40.43 H new ATOM 0 HD2 ARG A 59 -8.068 6.453 2.532 1.00 5.25 H new ATOM 0 HD3 ARG A 59 -6.624 5.460 2.525 1.00 5.25 H new ATOM 0 HE ARG A 59 -5.286 7.371 3.059 1.00 23.43 H new ATOM 0 HH11 ARG A 59 -8.596 8.349 2.473 1.00 0.22 H new ATOM 0 HH12 ARG A 59 -8.519 9.741 3.558 1.00 0.22 H new ATOM 0 HH21 ARG A 59 -5.290 9.031 4.731 1.00 51.31 H new ATOM 0 HH22 ARG A 59 -6.677 10.121 4.814 1.00 51.31 H new ATOM 910 N ALA A 60 -4.984 7.644 -2.872 1.00 32.42 N ATOM 911 CA ALA A 60 -5.225 8.690 -3.848 1.00 24.22 C ATOM 912 C ALA A 60 -5.979 8.131 -5.063 1.00 42.33 C ATOM 913 O ALA A 60 -6.963 8.737 -5.481 1.00 43.44 O ATOM 914 CB ALA A 60 -3.900 9.354 -4.216 1.00 11.25 C ATOM 0 H ALA A 60 -3.997 7.464 -2.687 1.00 32.42 H new ATOM 0 HA ALA A 60 -5.868 9.460 -3.422 1.00 24.22 H new ATOM 0 HB1 ALA A 60 -4.078 10.140 -4.949 1.00 11.25 H new ATOM 0 HB2 ALA A 60 -3.449 9.786 -3.323 1.00 11.25 H new ATOM 0 HB3 ALA A 60 -3.225 8.610 -4.639 1.00 11.25 H new ATOM 920 N LYS A 61 -5.618 6.937 -5.567 1.00 3.52 N ATOM 921 CA LYS A 61 -6.346 6.301 -6.677 1.00 32.23 C ATOM 922 C LYS A 61 -7.841 6.198 -6.347 1.00 12.14 C ATOM 923 O LYS A 61 -8.697 6.560 -7.155 1.00 42.51 O ATOM 924 CB LYS A 61 -5.762 4.908 -7.024 1.00 14.45 C ATOM 925 CG LYS A 61 -6.257 4.456 -8.413 1.00 21.14 C ATOM 926 CD LYS A 61 -6.333 2.938 -8.659 1.00 14.52 C ATOM 927 CE LYS A 61 -6.875 2.757 -10.087 1.00 75.02 C ATOM 928 NZ LYS A 61 -7.465 1.431 -10.387 1.00 55.53 N ATOM 0 H LYS A 61 -4.826 6.394 -5.222 1.00 3.52 H new ATOM 0 HA LYS A 61 -6.224 6.932 -7.558 1.00 32.23 H new ATOM 0 HB2 LYS A 61 -4.673 4.949 -7.013 1.00 14.45 H new ATOM 0 HB3 LYS A 61 -6.061 4.181 -6.269 1.00 14.45 H new ATOM 0 HG2 LYS A 61 -7.249 4.877 -8.574 1.00 21.14 H new ATOM 0 HG3 LYS A 61 -5.600 4.890 -9.166 1.00 21.14 H new ATOM 0 HD2 LYS A 61 -5.350 2.478 -8.555 1.00 14.52 H new ATOM 0 HD3 LYS A 61 -6.988 2.459 -7.931 1.00 14.52 H new ATOM 0 HE2 LYS A 61 -7.632 3.520 -10.268 1.00 75.02 H new ATOM 0 HE3 LYS A 61 -6.063 2.940 -10.790 1.00 75.02 H new ATOM 0 HZ1 LYS A 61 -7.799 1.414 -11.372 1.00 55.53 H new ATOM 0 HZ2 LYS A 61 -6.745 0.692 -10.253 1.00 55.53 H new ATOM 0 HZ3 LYS A 61 -8.266 1.254 -9.747 1.00 55.53 H new ATOM 938 N TRP A 62 -8.154 5.702 -5.147 1.00 32.11 N ATOM 939 CA TRP A 62 -9.513 5.487 -4.659 1.00 51.11 C ATOM 940 C TRP A 62 -10.333 6.779 -4.610 1.00 42.53 C ATOM 941 O TRP A 62 -11.532 6.749 -4.888 1.00 11.34 O ATOM 942 CB TRP A 62 -9.421 4.813 -3.286 1.00 42.11 C ATOM 943 CG TRP A 62 -10.657 4.787 -2.448 1.00 52.34 C ATOM 944 CD1 TRP A 62 -11.755 4.036 -2.673 1.00 5.55 C ATOM 945 CD2 TRP A 62 -10.919 5.515 -1.214 1.00 11.41 C ATOM 946 NE1 TRP A 62 -12.645 4.196 -1.631 1.00 10.13 N ATOM 947 CE2 TRP A 62 -12.167 5.075 -0.686 1.00 50.44 C ATOM 948 CE3 TRP A 62 -10.221 6.499 -0.486 1.00 31.21 C ATOM 949 CZ2 TRP A 62 -12.656 5.534 0.545 1.00 70.11 C ATOM 950 CZ3 TRP A 62 -10.705 6.973 0.748 1.00 3.54 C ATOM 951 CH2 TRP A 62 -11.905 6.467 1.279 1.00 33.25 C ATOM 0 H TRP A 62 -7.443 5.431 -4.468 1.00 32.11 H new ATOM 0 HA TRP A 62 -10.047 4.840 -5.355 1.00 51.11 H new ATOM 0 HB2 TRP A 62 -9.095 3.784 -3.437 1.00 42.11 H new ATOM 0 HB3 TRP A 62 -8.639 5.315 -2.716 1.00 42.11 H new ATOM 0 HD1 TRP A 62 -11.913 3.406 -3.536 1.00 5.55 H new ATOM 0 HE1 TRP A 62 -13.546 3.722 -1.569 1.00 10.13 H new ATOM 0 HE3 TRP A 62 -9.298 6.897 -0.882 1.00 31.21 H new ATOM 0 HZ2 TRP A 62 -13.601 5.174 0.925 1.00 70.11 H new ATOM 0 HZ3 TRP A 62 -10.153 7.728 1.289 1.00 3.54 H new ATOM 0 HH2 TRP A 62 -12.248 6.795 2.249 1.00 33.25 H new ATOM 961 N LYS A 63 -9.719 7.929 -4.316 1.00 44.22 N ATOM 962 CA LYS A 63 -10.428 9.208 -4.275 1.00 35.43 C ATOM 963 C LYS A 63 -11.032 9.605 -5.629 1.00 20.15 C ATOM 964 O LYS A 63 -11.960 10.410 -5.627 1.00 15.51 O ATOM 965 CB LYS A 63 -9.505 10.311 -3.730 1.00 43.13 C ATOM 966 CG LYS A 63 -9.364 10.271 -2.192 1.00 64.42 C ATOM 967 CD LYS A 63 -9.943 11.555 -1.587 1.00 14.34 C ATOM 968 CE LYS A 63 -9.888 11.619 -0.056 1.00 54.33 C ATOM 969 NZ LYS A 63 -10.326 12.943 0.444 1.00 41.32 N ATOM 0 H LYS A 63 -8.724 7.998 -4.102 1.00 44.22 H new ATOM 0 HA LYS A 63 -11.272 9.084 -3.596 1.00 35.43 H new ATOM 0 HB2 LYS A 63 -8.519 10.209 -4.183 1.00 43.13 H new ATOM 0 HB3 LYS A 63 -9.894 11.284 -4.029 1.00 43.13 H new ATOM 0 HG2 LYS A 63 -9.885 9.402 -1.792 1.00 64.42 H new ATOM 0 HG3 LYS A 63 -8.315 10.168 -1.916 1.00 64.42 H new ATOM 0 HD2 LYS A 63 -9.401 12.409 -1.993 1.00 14.34 H new ATOM 0 HD3 LYS A 63 -10.981 11.655 -1.905 1.00 14.34 H new ATOM 0 HE2 LYS A 63 -10.524 10.840 0.366 1.00 54.33 H new ATOM 0 HE3 LYS A 63 -8.871 11.418 0.282 1.00 54.33 H new ATOM 0 HZ1 LYS A 63 -10.278 12.955 1.483 1.00 41.32 H new ATOM 0 HZ2 LYS A 63 -9.704 13.682 0.060 1.00 41.32 H new ATOM 0 HZ3 LYS A 63 -11.305 13.122 0.141 1.00 41.32 H new ATOM 979 N ARG A 64 -10.574 9.035 -6.750 1.00 24.45 N ATOM 980 CA ARG A 64 -11.157 9.220 -8.086 1.00 55.30 C ATOM 981 C ARG A 64 -12.141 8.100 -8.472 1.00 34.12 C ATOM 982 O ARG A 64 -12.579 8.060 -9.618 1.00 31.21 O ATOM 983 CB ARG A 64 -10.008 9.338 -9.113 1.00 40.11 C ATOM 984 CG ARG A 64 -9.380 10.738 -9.229 1.00 35.43 C ATOM 985 CD ARG A 64 -10.326 11.727 -9.928 1.00 20.12 C ATOM 986 NE ARG A 64 -9.600 12.873 -10.513 1.00 24.11 N ATOM 987 CZ ARG A 64 -9.388 13.102 -11.819 1.00 64.11 C ATOM 988 NH1 ARG A 64 -9.986 12.369 -12.754 1.00 73.20 N ATOM 989 NH2 ARG A 64 -8.541 14.057 -12.182 1.00 1.32 N ATOM 0 H ARG A 64 -9.764 8.414 -6.754 1.00 24.45 H new ATOM 0 HA ARG A 64 -11.748 10.136 -8.079 1.00 55.30 H new ATOM 0 HB2 ARG A 64 -9.227 8.627 -8.845 1.00 40.11 H new ATOM 0 HB3 ARG A 64 -10.385 9.043 -10.092 1.00 40.11 H new ATOM 0 HG2 ARG A 64 -9.134 11.110 -8.235 1.00 35.43 H new ATOM 0 HG3 ARG A 64 -8.445 10.673 -9.786 1.00 35.43 H new ATOM 0 HD2 ARG A 64 -10.876 11.208 -10.713 1.00 20.12 H new ATOM 0 HD3 ARG A 64 -11.062 12.092 -9.211 1.00 20.12 H new ATOM 0 HE ARG A 64 -9.222 13.559 -9.859 1.00 24.11 H new ATOM 0 HH11 ARG A 64 -10.619 11.616 -12.484 1.00 73.20 H new ATOM 0 HH12 ARG A 64 -9.811 12.560 -13.741 1.00 73.20 H new ATOM 0 HH21 ARG A 64 -8.059 14.608 -11.472 1.00 1.32 H new ATOM 0 HH22 ARG A 64 -8.372 14.240 -13.171 1.00 1.32 H new ATOM 1000 N ILE A 65 -12.454 7.163 -7.568 1.00 34.24 N ATOM 1001 CA ILE A 65 -13.289 5.982 -7.834 1.00 43.52 C ATOM 1002 C ILE A 65 -14.479 5.926 -6.878 1.00 45.13 C ATOM 1003 O ILE A 65 -15.546 5.466 -7.271 1.00 44.20 O ATOM 1004 CB ILE A 65 -12.430 4.691 -7.772 1.00 12.52 C ATOM 1005 CG1 ILE A 65 -11.293 4.781 -8.811 1.00 71.01 C ATOM 1006 CG2 ILE A 65 -13.262 3.413 -8.000 1.00 61.44 C ATOM 1007 CD1 ILE A 65 -10.371 3.561 -8.877 1.00 34.44 C ATOM 0 H ILE A 65 -12.125 7.206 -6.604 1.00 34.24 H new ATOM 0 HA ILE A 65 -13.696 6.060 -8.842 1.00 43.52 H new ATOM 0 HB ILE A 65 -12.014 4.619 -6.767 1.00 12.52 H new ATOM 0 HG12 ILE A 65 -11.734 4.937 -9.796 1.00 71.01 H new ATOM 0 HG13 ILE A 65 -10.689 5.661 -8.590 1.00 71.01 H new ATOM 0 HG21 ILE A 65 -12.611 2.541 -7.946 1.00 61.44 H new ATOM 0 HG22 ILE A 65 -14.033 3.339 -7.233 1.00 61.44 H new ATOM 0 HG23 ILE A 65 -13.732 3.455 -8.983 1.00 61.44 H new ATOM 0 HD11 ILE A 65 -9.607 3.723 -9.637 1.00 34.44 H new ATOM 0 HD12 ILE A 65 -9.894 3.413 -7.908 1.00 34.44 H new ATOM 0 HD13 ILE A 65 -10.955 2.677 -9.133 1.00 34.44 H new ATOM 1018 N LYS A 66 -14.328 6.383 -5.631 1.00 53.32 N ATOM 1019 CA LYS A 66 -15.465 6.506 -4.724 1.00 34.44 C ATOM 1020 C LYS A 66 -16.490 7.427 -5.389 1.00 71.10 C ATOM 1021 O LYS A 66 -16.170 8.592 -5.624 1.00 32.12 O ATOM 1022 CB LYS A 66 -15.006 7.013 -3.347 1.00 45.50 C ATOM 1023 CG LYS A 66 -14.572 8.488 -3.363 1.00 44.44 C ATOM 1024 CD LYS A 66 -14.077 8.981 -2.030 1.00 22.14 C ATOM 1025 CE LYS A 66 -13.731 10.478 -2.084 1.00 4.22 C ATOM 1026 NZ LYS A 66 -14.846 11.358 -2.531 1.00 63.12 N ATOM 0 H LYS A 66 -13.435 6.671 -5.232 1.00 53.32 H new ATOM 0 HA LYS A 66 -15.931 5.538 -4.541 1.00 34.44 H new ATOM 0 HB2 LYS A 66 -15.818 6.887 -2.631 1.00 45.50 H new ATOM 0 HB3 LYS A 66 -14.175 6.399 -2.999 1.00 45.50 H new ATOM 0 HG2 LYS A 66 -13.785 8.619 -4.105 1.00 44.44 H new ATOM 0 HG3 LYS A 66 -15.414 9.103 -3.679 1.00 44.44 H new ATOM 0 HD2 LYS A 66 -14.839 8.808 -1.270 1.00 22.14 H new ATOM 0 HD3 LYS A 66 -13.196 8.412 -1.733 1.00 22.14 H new ATOM 0 HE2 LYS A 66 -13.408 10.798 -1.094 1.00 4.22 H new ATOM 0 HE3 LYS A 66 -12.884 10.617 -2.756 1.00 4.22 H new ATOM 0 HZ1 LYS A 66 -14.607 12.350 -2.331 1.00 63.12 H new ATOM 0 HZ2 LYS A 66 -14.995 11.237 -3.553 1.00 63.12 H new ATOM 0 HZ3 LYS A 66 -15.716 11.102 -2.021 1.00 63.12 H new ATOM 1036 N ALA A 67 -17.671 6.929 -5.738 1.00 10.53 N ATOM 1037 CA ALA A 67 -18.753 7.628 -6.436 1.00 14.32 C ATOM 1038 C ALA A 67 -18.399 8.184 -7.827 1.00 13.33 C ATOM 1039 O ALA A 67 -19.298 8.322 -8.659 1.00 3.32 O ATOM 1040 CB ALA A 67 -19.334 8.734 -5.537 1.00 62.10 C ATOM 0 H ALA A 67 -17.918 5.962 -5.528 1.00 10.53 H new ATOM 0 HA ALA A 67 -19.503 6.863 -6.635 1.00 14.32 H new ATOM 0 HB1 ALA A 67 -20.137 9.248 -6.065 1.00 62.10 H new ATOM 0 HB2 ALA A 67 -19.727 8.290 -4.622 1.00 62.10 H new ATOM 0 HB3 ALA A 67 -18.550 9.448 -5.286 1.00 62.10 H new ATOM 1046 N GLY A 68 -17.144 8.551 -8.083 1.00 11.24 N ATOM 1047 CA GLY A 68 -16.691 9.144 -9.326 1.00 40.30 C ATOM 1048 C GLY A 68 -16.436 8.060 -10.359 1.00 55.11 C ATOM 1049 O GLY A 68 -15.469 7.308 -10.223 1.00 73.13 O ATOM 0 H GLY A 68 -16.393 8.437 -7.402 1.00 11.24 H new ATOM 0 HA2 GLY A 68 -17.440 9.843 -9.698 1.00 40.30 H new ATOM 0 HA3 GLY A 68 -15.779 9.715 -9.154 1.00 40.30 H new ATOM 1053 N ASN A 69 -17.258 7.997 -11.407 1.00 2.51 N ATOM 1054 CA ASN A 69 -16.935 7.253 -12.619 1.00 43.54 C ATOM 1055 C ASN A 69 -16.709 8.296 -13.705 1.00 71.22 C ATOM 1056 O ASN A 69 -17.673 8.882 -14.206 1.00 52.24 O ATOM 1057 CB ASN A 69 -18.025 6.245 -13.029 1.00 45.12 C ATOM 1058 CG ASN A 69 -18.571 5.409 -11.883 1.00 4.14 C ATOM 1059 OD1 ASN A 69 -17.844 4.982 -10.984 1.00 62.14 O ATOM 1060 ND2 ASN A 69 -19.870 5.184 -11.872 1.00 61.01 N ATOM 0 H ASN A 69 -18.166 8.461 -11.437 1.00 2.51 H new ATOM 0 HA ASN A 69 -16.050 6.640 -12.451 1.00 43.54 H new ATOM 0 HB2 ASN A 69 -18.849 6.788 -13.491 1.00 45.12 H new ATOM 0 HB3 ASN A 69 -17.618 5.577 -13.788 1.00 45.12 H new ATOM 0 HD21 ASN A 69 -20.288 4.649 -11.111 1.00 61.01 H new ATOM 0 HD22 ASN A 69 -20.457 5.545 -12.624 1.00 61.01 H new ATOM 1066 N VAL A 70 -15.449 8.565 -14.049 1.00 31.32 N ATOM 1067 CA VAL A 70 -15.101 9.403 -15.202 1.00 61.00 C ATOM 1068 C VAL A 70 -14.555 8.561 -16.370 1.00 51.20 C ATOM 1069 O VAL A 70 -14.417 9.065 -17.489 1.00 55.41 O ATOM 1070 CB VAL A 70 -14.221 10.581 -14.737 1.00 43.32 C ATOM 1071 CG1 VAL A 70 -12.845 10.136 -14.225 1.00 33.05 C ATOM 1072 CG2 VAL A 70 -14.044 11.652 -15.817 1.00 74.22 C ATOM 0 H VAL A 70 -14.641 8.210 -13.538 1.00 31.32 H new ATOM 0 HA VAL A 70 -15.993 9.862 -15.628 1.00 61.00 H new ATOM 0 HB VAL A 70 -14.768 11.020 -13.903 1.00 43.32 H new ATOM 0 HG11 VAL A 70 -12.273 11.010 -13.913 1.00 33.05 H new ATOM 0 HG12 VAL A 70 -12.972 9.463 -13.377 1.00 33.05 H new ATOM 0 HG13 VAL A 70 -12.310 9.618 -15.021 1.00 33.05 H new ATOM 0 HG21 VAL A 70 -13.416 12.456 -15.433 1.00 74.22 H new ATOM 0 HG22 VAL A 70 -13.571 11.210 -16.694 1.00 74.22 H new ATOM 0 HG23 VAL A 70 -15.019 12.054 -16.094 1.00 74.22 H new ATOM 1082 N SER A 71 -14.307 7.273 -16.127 1.00 41.53 N ATOM 1083 CA SER A 71 -14.421 6.237 -17.136 1.00 60.22 C ATOM 1084 C SER A 71 -15.898 5.845 -17.232 1.00 4.15 C ATOM 1085 O SER A 71 -16.180 4.636 -17.299 1.00 3.51 O ATOM 1086 CB SER A 71 -13.549 5.043 -16.722 1.00 74.34 C ATOM 1087 OG SER A 71 -12.220 5.446 -16.404 1.00 40.13 O ATOM 0 H SER A 71 -14.019 6.924 -15.213 1.00 41.53 H new ATOM 0 HA SER A 71 -14.077 6.582 -18.111 1.00 60.22 H new ATOM 0 HB2 SER A 71 -13.995 4.548 -15.859 1.00 74.34 H new ATOM 0 HB3 SER A 71 -13.524 4.313 -17.531 1.00 74.34 H new ATOM 0 HG SER A 71 -11.694 4.661 -16.143 1.00 40.13 H new TER 1092 SER A 71