USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 946 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: B 19 LYS NZ :NH3+ 150:sc= 0.638 (180deg=-0.127) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.485 USER MOD Set 2.1: A 5 SER OG : rot -28:sc= -0.393 USER MOD Set 2.2: B 44 THR OG1 : rot 148:sc= 1.28 USER MOD Set 2.3: B 47 SER OG : rot -81:sc= 0.64! USER MOD Set 3.1: A 44 THR OG1 : rot 147:sc= 1.29 USER MOD Set 3.2: A 47 SER OG : rot -80:sc= 0.587! USER MOD Set 3.3: B 5 SER OG : rot -33:sc= -0.423! USER MOD Set 4.1: A 19 LYS NZ :NH3+ 143:sc= 0.611 (180deg=-0.122) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= 0.386 USER MOD Single : A 9 THR OG1 : rot -30:sc= -0.212 USER MOD Single : A 14 SER OG : rot -86:sc= 1.63 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 58:sc= 0.322! USER MOD Single : A 23 ASN : amide:sc= -0.549 K(o=-0.55,f=-2.9!) USER MOD Single : A 28 TYR OH : rot -44:sc= 0.131 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 40:sc= -1.23 USER MOD Single : A 32 SER OG : rot -130:sc= -0.103 USER MOD Single : A 33 SER OG : rot 180:sc= -0.137 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -3.77! K(o=-3.8!,f=-2.7) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -3.95! (180deg=-4.74!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0239 K(o=-0.024,f=-0.99) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot -28:sc= -0.215 USER MOD Single : B 14 SER OG : rot -117:sc= 1.39 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.142! USER MOD Single : B 23 ASN : amide:sc= -0.591 K(o=-0.59,f=-3.1!) USER MOD Single : B 28 TYR OH : rot -44:sc= 0.132 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 25:sc= -1.13 USER MOD Single : B 32 SER OG : rot -130:sc= -0.128 USER MOD Single : B 33 SER OG : rot 180:sc= -0.121 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 GLN : amide:sc= -3.75! K(o=-3.8!,f=-2.6) USER MOD Single : B 45 LYS NZ :NH3+ 159:sc= -4.12! (180deg=-5.12!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -0.0284 K(o=-0.028,f=-1) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.670 10.571 -3.418 1.00 0.00 N ATOM 52 CA SER A 5 -11.455 10.178 -2.219 1.00 0.00 C ATOM 53 C SER A 5 -10.503 9.713 -1.105 1.00 0.00 C ATOM 54 O SER A 5 -9.949 10.517 -0.382 1.00 0.00 O ATOM 55 CB SER A 5 -12.393 9.050 -2.614 1.00 0.00 C ATOM 56 OG SER A 5 -11.697 8.161 -3.478 1.00 0.00 O ATOM 0 HA SER A 5 -12.031 11.026 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.741 8.520 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.275 9.450 -3.114 1.00 0.00 H new ATOM 0 HG SER A 5 -11.008 8.655 -3.969 1.00 0.00 H new ATOM 62 N ASP A 6 -10.296 8.424 -0.963 1.00 0.00 N ATOM 63 CA ASP A 6 -9.367 7.935 0.106 1.00 0.00 C ATOM 64 C ASP A 6 -8.862 6.526 -0.247 1.00 0.00 C ATOM 65 O ASP A 6 -9.196 5.573 0.430 1.00 0.00 O ATOM 66 CB ASP A 6 -10.104 7.888 1.457 1.00 0.00 C ATOM 67 CG ASP A 6 -9.086 7.872 2.600 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.432 8.883 2.798 1.00 0.00 O ATOM 69 OD2 ASP A 6 -8.976 6.850 3.256 1.00 0.00 O ATOM 0 H ASP A 6 -10.725 7.697 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.520 8.617 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.761 8.753 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.735 7.001 1.507 1.00 0.00 H new ATOM 74 N PRO A 7 -8.071 6.422 -1.294 1.00 0.00 N ATOM 75 CA PRO A 7 -7.532 5.116 -1.718 1.00 0.00 C ATOM 76 C PRO A 7 -6.595 4.560 -0.624 1.00 0.00 C ATOM 77 O PRO A 7 -6.245 5.274 0.294 1.00 0.00 O ATOM 78 CB PRO A 7 -6.762 5.414 -3.029 1.00 0.00 C ATOM 79 CG PRO A 7 -6.838 6.949 -3.281 1.00 0.00 C ATOM 80 CD PRO A 7 -7.660 7.572 -2.129 1.00 0.00 C ATOM 0 HA PRO A 7 -8.306 4.364 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.724 5.091 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.200 4.867 -3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.838 7.381 -3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.308 7.156 -4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.064 8.283 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.526 8.115 -2.509 1.00 0.00 H new ATOM 88 N PRO A 8 -6.208 3.305 -0.750 1.00 0.00 N ATOM 89 CA PRO A 8 -5.307 2.670 0.234 1.00 0.00 C ATOM 90 C PRO A 8 -3.955 3.401 0.250 1.00 0.00 C ATOM 91 O PRO A 8 -3.846 4.537 -0.170 1.00 0.00 O ATOM 92 CB PRO A 8 -5.149 1.209 -0.256 1.00 0.00 C ATOM 93 CG PRO A 8 -5.879 1.096 -1.626 1.00 0.00 C ATOM 94 CD PRO A 8 -6.631 2.425 -1.862 1.00 0.00 C ATOM 0 HA PRO A 8 -5.696 2.710 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.095 0.951 -0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.578 0.514 0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.164 0.913 -2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.575 0.257 -1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.374 2.858 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.711 2.274 -1.858 1.00 0.00 H new ATOM 102 N THR A 9 -2.925 2.753 0.729 1.00 0.00 N ATOM 103 CA THR A 9 -1.583 3.405 0.771 1.00 0.00 C ATOM 104 C THR A 9 -0.494 2.335 0.780 1.00 0.00 C ATOM 105 O THR A 9 -0.490 1.440 1.601 1.00 0.00 O ATOM 106 CB THR A 9 -1.468 4.255 2.036 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.625 5.070 2.164 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.224 5.140 1.947 1.00 0.00 C ATOM 0 H THR A 9 -2.956 1.801 1.093 1.00 0.00 H new ATOM 0 HA THR A 9 -1.462 4.039 -0.107 1.00 0.00 H new ATOM 0 HB THR A 9 -1.385 3.603 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.973 5.287 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.143 5.746 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.662 4.513 1.850 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.303 5.793 1.078 1.00 0.00 H new ATOM 116 N ALA A 10 0.433 2.424 -0.132 1.00 0.00 N ATOM 117 CA ALA A 10 1.529 1.419 -0.188 1.00 0.00 C ATOM 118 C ALA A 10 2.448 1.590 1.022 1.00 0.00 C ATOM 119 O ALA A 10 3.499 2.194 0.930 1.00 0.00 O ATOM 120 CB ALA A 10 2.334 1.629 -1.468 1.00 0.00 C ATOM 0 H ALA A 10 0.478 3.153 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 10 1.104 0.415 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.139 0.896 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.681 1.508 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.757 2.633 -1.471 1.00 0.00 H new ATOM 126 N CYS A 11 2.065 1.052 2.151 1.00 0.00 N ATOM 127 CA CYS A 11 2.912 1.163 3.380 1.00 0.00 C ATOM 128 C CYS A 11 3.514 -0.210 3.685 1.00 0.00 C ATOM 129 O CYS A 11 2.851 -1.224 3.581 1.00 0.00 O ATOM 130 CB CYS A 11 2.045 1.614 4.559 1.00 0.00 C ATOM 131 SG CYS A 11 1.149 3.123 4.107 1.00 0.00 S ATOM 0 H CYS A 11 1.194 0.536 2.277 1.00 0.00 H new ATOM 0 HA CYS A 11 3.707 1.892 3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.341 0.827 4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.669 1.797 5.434 1.00 0.00 H new ATOM 136 N CYS A 12 4.765 -0.257 4.051 1.00 0.00 N ATOM 137 CA CYS A 12 5.399 -1.571 4.353 1.00 0.00 C ATOM 138 C CYS A 12 4.881 -2.091 5.694 1.00 0.00 C ATOM 139 O CYS A 12 4.632 -1.334 6.610 1.00 0.00 O ATOM 140 CB CYS A 12 6.919 -1.407 4.423 1.00 0.00 C ATOM 141 SG CYS A 12 7.563 -1.016 2.778 1.00 0.00 S ATOM 0 H CYS A 12 5.374 0.555 4.154 1.00 0.00 H new ATOM 0 HA CYS A 12 5.149 -2.281 3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.177 -0.613 5.124 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.377 -2.323 4.796 1.00 0.00 H new ATOM 146 N PHE A 13 4.721 -3.384 5.814 1.00 0.00 N ATOM 147 CA PHE A 13 4.222 -3.977 7.095 1.00 0.00 C ATOM 148 C PHE A 13 5.401 -4.613 7.835 1.00 0.00 C ATOM 149 O PHE A 13 5.341 -4.870 9.022 1.00 0.00 O ATOM 150 CB PHE A 13 3.178 -5.053 6.780 1.00 0.00 C ATOM 151 CG PHE A 13 3.838 -6.189 6.037 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.140 -6.052 4.669 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.158 -7.382 6.712 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.761 -7.107 3.975 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.779 -8.439 6.020 1.00 0.00 C ATOM 156 CZ PHE A 13 5.081 -8.301 4.652 1.00 0.00 C ATOM 0 H PHE A 13 4.915 -4.060 5.076 1.00 0.00 H new ATOM 0 HA PHE A 13 3.769 -3.203 7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.728 -5.420 7.702 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.373 -4.630 6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.895 -5.136 4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.927 -7.487 7.762 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.992 -7.002 2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.023 -9.355 6.538 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.558 -9.111 4.121 1.00 0.00 H new ATOM 166 N SER A 14 6.474 -4.864 7.136 1.00 0.00 N ATOM 167 CA SER A 14 7.667 -5.481 7.779 1.00 0.00 C ATOM 168 C SER A 14 8.908 -5.149 6.947 1.00 0.00 C ATOM 169 O SER A 14 8.943 -4.164 6.238 1.00 0.00 O ATOM 170 CB SER A 14 7.487 -6.998 7.846 1.00 0.00 C ATOM 171 OG SER A 14 7.468 -7.527 6.527 1.00 0.00 O ATOM 0 H SER A 14 6.575 -4.666 6.140 1.00 0.00 H new ATOM 0 HA SER A 14 7.784 -5.090 8.790 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.298 -7.447 8.419 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.559 -7.243 8.362 1.00 0.00 H new ATOM 0 HG SER A 14 6.557 -7.479 6.168 1.00 0.00 H new ATOM 177 N TYR A 15 9.928 -5.961 7.024 1.00 0.00 N ATOM 178 CA TYR A 15 11.165 -5.686 6.233 1.00 0.00 C ATOM 179 C TYR A 15 11.903 -6.997 5.969 1.00 0.00 C ATOM 180 O TYR A 15 11.690 -7.988 6.639 1.00 0.00 O ATOM 181 CB TYR A 15 12.077 -4.735 7.019 1.00 0.00 C ATOM 182 CG TYR A 15 11.246 -3.675 7.699 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.848 -2.527 6.987 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.868 -3.833 9.047 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.072 -1.539 7.622 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.094 -2.844 9.682 1.00 0.00 C ATOM 187 CZ TYR A 15 9.694 -1.697 8.969 1.00 0.00 C ATOM 188 OH TYR A 15 8.935 -0.728 9.592 1.00 0.00 O ATOM 0 H TYR A 15 9.959 -6.802 7.600 1.00 0.00 H new ATOM 0 HA TYR A 15 10.892 -5.224 5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.648 -5.294 7.761 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.798 -4.269 6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.138 -2.405 5.954 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.172 -4.714 9.593 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.766 -0.659 7.075 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.807 -2.964 10.716 1.00 0.00 H new ATOM 0 HH TYR A 15 8.762 -0.994 10.519 1.00 0.00 H new ATOM 198 N THR A 16 12.775 -7.011 4.999 1.00 0.00 N ATOM 199 CA THR A 16 13.527 -8.263 4.703 1.00 0.00 C ATOM 200 C THR A 16 14.340 -8.662 5.936 1.00 0.00 C ATOM 201 O THR A 16 14.125 -8.159 7.020 1.00 0.00 O ATOM 202 CB THR A 16 14.453 -8.044 3.499 1.00 0.00 C ATOM 203 OG1 THR A 16 15.274 -9.188 3.314 1.00 0.00 O ATOM 204 CG2 THR A 16 15.335 -6.816 3.730 1.00 0.00 C ATOM 0 H THR A 16 12.999 -6.215 4.402 1.00 0.00 H new ATOM 0 HA THR A 16 12.828 -9.063 4.459 1.00 0.00 H new ATOM 0 HB THR A 16 13.844 -7.883 2.609 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.709 -9.979 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.988 -6.670 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.706 -5.936 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.941 -6.966 4.624 1.00 0.00 H new ATOM 212 N ALA A 17 15.273 -9.562 5.778 1.00 0.00 N ATOM 213 CA ALA A 17 16.109 -10.003 6.933 1.00 0.00 C ATOM 214 C ALA A 17 17.545 -10.168 6.450 1.00 0.00 C ATOM 215 O ALA A 17 18.370 -10.778 7.101 1.00 0.00 O ATOM 216 CB ALA A 17 15.590 -11.344 7.453 1.00 0.00 C ATOM 0 H ALA A 17 15.494 -10.015 4.891 1.00 0.00 H new ATOM 0 HA ALA A 17 16.063 -9.266 7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.200 -11.668 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.554 -11.233 7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.645 -12.088 6.659 1.00 0.00 H new ATOM 222 N ARG A 18 17.845 -9.626 5.299 1.00 0.00 N ATOM 223 CA ARG A 18 19.223 -9.738 4.740 1.00 0.00 C ATOM 224 C ARG A 18 19.592 -8.429 4.043 1.00 0.00 C ATOM 225 O ARG A 18 18.887 -7.957 3.172 1.00 0.00 O ATOM 226 CB ARG A 18 19.258 -10.881 3.725 1.00 0.00 C ATOM 227 CG ARG A 18 18.697 -12.156 4.370 1.00 0.00 C ATOM 228 CD ARG A 18 19.159 -13.386 3.584 1.00 0.00 C ATOM 229 NE ARG A 18 19.083 -13.115 2.110 1.00 0.00 N ATOM 230 CZ ARG A 18 17.971 -12.733 1.541 1.00 0.00 C ATOM 231 NH1 ARG A 18 16.847 -12.744 2.205 1.00 0.00 N ATOM 232 NH2 ARG A 18 17.973 -12.387 0.283 1.00 0.00 N ATOM 0 H ARG A 18 17.188 -9.106 4.718 1.00 0.00 H new ATOM 0 HA ARG A 18 19.934 -9.936 5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.672 -10.618 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.281 -11.051 3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.032 -12.228 5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.608 -12.115 4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.181 -13.642 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.536 -14.244 3.836 1.00 0.00 H new ATOM 0 HE ARG A 18 19.920 -13.232 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.832 -13.053 3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.984 -12.444 1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.841 -12.415 -0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.107 -12.088 -0.165 1.00 0.00 H new ATOM 246 N LYS A 19 20.692 -7.839 4.415 1.00 0.00 N ATOM 247 CA LYS A 19 21.107 -6.562 3.770 1.00 0.00 C ATOM 248 C LYS A 19 21.377 -6.824 2.286 1.00 0.00 C ATOM 249 O LYS A 19 22.139 -7.700 1.928 1.00 0.00 O ATOM 250 CB LYS A 19 22.371 -6.044 4.469 1.00 0.00 C ATOM 251 CG LYS A 19 22.976 -4.870 3.704 1.00 0.00 C ATOM 252 CD LYS A 19 24.185 -4.356 4.480 1.00 0.00 C ATOM 253 CE LYS A 19 24.999 -3.420 3.595 1.00 0.00 C ATOM 254 NZ LYS A 19 25.804 -4.223 2.632 1.00 0.00 N ATOM 0 H LYS A 19 21.323 -8.185 5.138 1.00 0.00 H new ATOM 0 HA LYS A 19 20.322 -5.811 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.128 -5.734 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.103 -6.848 4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.274 -5.183 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.238 -4.077 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.858 -3.831 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.803 -5.192 4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 19 24.336 -2.744 3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.655 -2.802 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.842 -3.731 1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 26.769 -4.342 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.364 -5.157 2.506 1.00 0.00 H new ATOM 268 N LEU A 20 20.747 -6.077 1.420 1.00 0.00 N ATOM 269 CA LEU A 20 20.954 -6.290 -0.041 1.00 0.00 C ATOM 270 C LEU A 20 22.345 -5.757 -0.460 1.00 0.00 C ATOM 271 O LEU A 20 22.584 -4.574 -0.324 1.00 0.00 O ATOM 272 CB LEU A 20 19.893 -5.507 -0.820 1.00 0.00 C ATOM 273 CG LEU A 20 18.509 -5.735 -0.211 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.454 -5.127 -1.136 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.242 -7.236 -0.059 1.00 0.00 C ATOM 0 H LEU A 20 20.098 -5.328 1.661 1.00 0.00 H new ATOM 0 HA LEU A 20 20.882 -7.356 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.133 -4.444 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.894 -5.820 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 20 18.465 -5.265 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.463 -5.284 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.637 -4.058 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.509 -5.605 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.254 -7.388 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.285 -7.714 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.997 -7.676 0.593 1.00 0.00 H new ATOM 287 N PRO A 21 23.228 -6.600 -0.975 1.00 0.00 N ATOM 288 CA PRO A 21 24.554 -6.122 -1.409 1.00 0.00 C ATOM 289 C PRO A 21 24.384 -4.999 -2.437 1.00 0.00 C ATOM 290 O PRO A 21 23.449 -4.996 -3.209 1.00 0.00 O ATOM 291 CB PRO A 21 25.236 -7.353 -2.047 1.00 0.00 C ATOM 292 CG PRO A 21 24.336 -8.585 -1.748 1.00 0.00 C ATOM 293 CD PRO A 21 23.009 -8.055 -1.165 1.00 0.00 C ATOM 0 HA PRO A 21 25.146 -5.719 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.353 -7.214 -3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.234 -7.497 -1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.154 -9.158 -2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.825 -9.256 -1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.177 -8.244 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.769 -8.545 -0.221 1.00 0.00 H new ATOM 301 N ARG A 22 25.287 -4.059 -2.468 1.00 0.00 N ATOM 302 CA ARG A 22 25.173 -2.963 -3.468 1.00 0.00 C ATOM 303 C ARG A 22 24.970 -3.584 -4.852 1.00 0.00 C ATOM 304 O ARG A 22 24.301 -3.032 -5.703 1.00 0.00 O ATOM 305 CB ARG A 22 26.457 -2.130 -3.463 1.00 0.00 C ATOM 306 CG ARG A 22 26.250 -0.863 -4.295 1.00 0.00 C ATOM 307 CD ARG A 22 27.447 0.070 -4.109 1.00 0.00 C ATOM 308 NE ARG A 22 27.257 1.295 -4.935 1.00 0.00 N ATOM 309 CZ ARG A 22 27.990 2.351 -4.713 1.00 0.00 C ATOM 310 NH1 ARG A 22 28.890 2.334 -3.768 1.00 0.00 N ATOM 311 NH2 ARG A 22 27.825 3.425 -5.437 1.00 0.00 N ATOM 0 H ARG A 22 26.095 -4.003 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 22 24.329 -2.318 -3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.727 -1.866 -2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.283 -2.714 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.137 -1.121 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.332 -0.360 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.551 0.340 -3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.366 -0.438 -4.400 1.00 0.00 H new ATOM 0 HE ARG A 22 26.554 1.308 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.020 1.495 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 22 29.463 3.160 -3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 22 27.123 3.439 -6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 22 28.398 4.250 -5.263 1.00 0.00 H new ATOM 325 N ASN A 23 25.543 -4.737 -5.075 1.00 0.00 N ATOM 326 CA ASN A 23 25.392 -5.410 -6.396 1.00 0.00 C ATOM 327 C ASN A 23 23.967 -5.955 -6.539 1.00 0.00 C ATOM 328 O ASN A 23 23.683 -6.746 -7.416 1.00 0.00 O ATOM 329 CB ASN A 23 26.390 -6.566 -6.495 1.00 0.00 C ATOM 330 CG ASN A 23 26.421 -7.091 -7.932 1.00 0.00 C ATOM 331 OD1 ASN A 23 25.898 -6.465 -8.831 1.00 0.00 O ATOM 332 ND2 ASN A 23 27.018 -8.224 -8.187 1.00 0.00 N ATOM 0 H ASN A 23 26.111 -5.243 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 23 25.585 -4.690 -7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.383 -6.230 -6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.106 -7.365 -5.810 1.00 0.00 H new ATOM 0 HD21 ASN A 23 27.045 -8.583 -9.141 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.458 -8.750 -7.432 1.00 0.00 H new ATOM 339 N PHE A 24 23.071 -5.544 -5.678 1.00 0.00 N ATOM 340 CA PHE A 24 21.660 -6.045 -5.753 1.00 0.00 C ATOM 341 C PHE A 24 20.698 -4.885 -5.471 1.00 0.00 C ATOM 342 O PHE A 24 19.609 -5.078 -4.969 1.00 0.00 O ATOM 343 CB PHE A 24 21.473 -7.155 -4.704 1.00 0.00 C ATOM 344 CG PHE A 24 20.288 -8.037 -5.055 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.271 -8.755 -6.271 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.204 -8.151 -4.159 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.175 -9.581 -6.586 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.108 -8.978 -4.478 1.00 0.00 C ATOM 349 CZ PHE A 24 18.095 -9.693 -5.691 1.00 0.00 C ATOM 0 H PHE A 24 23.254 -4.882 -4.924 1.00 0.00 H new ATOM 0 HA PHE A 24 21.452 -6.445 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.377 -7.761 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.322 -6.710 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.099 -8.671 -6.959 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.214 -7.604 -3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.163 -10.130 -7.516 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.278 -9.063 -3.792 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.256 -10.328 -5.935 1.00 0.00 H new ATOM 359 N VAL A 25 21.096 -3.682 -5.797 1.00 0.00 N ATOM 360 CA VAL A 25 20.217 -2.498 -5.558 1.00 0.00 C ATOM 361 C VAL A 25 20.516 -1.434 -6.618 1.00 0.00 C ATOM 362 O VAL A 25 21.371 -0.589 -6.439 1.00 0.00 O ATOM 363 CB VAL A 25 20.498 -1.918 -4.169 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.539 -0.760 -3.892 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.295 -3.000 -3.106 1.00 0.00 C ATOM 0 H VAL A 25 21.998 -3.468 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 25 19.172 -2.802 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 25 21.527 -1.560 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.741 -0.349 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.680 0.017 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.511 -1.121 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.496 -2.583 -2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.267 -3.360 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.977 -3.829 -3.295 1.00 0.00 H new ATOM 375 N VAL A 26 19.825 -1.472 -7.726 1.00 0.00 N ATOM 376 CA VAL A 26 20.072 -0.470 -8.801 1.00 0.00 C ATOM 377 C VAL A 26 19.260 0.794 -8.530 1.00 0.00 C ATOM 378 O VAL A 26 19.463 1.817 -9.154 1.00 0.00 O ATOM 379 CB VAL A 26 19.648 -1.065 -10.143 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.364 -2.396 -10.356 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.135 -1.297 -10.145 1.00 0.00 C ATOM 0 H VAL A 26 19.098 -2.157 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 26 21.132 -0.216 -8.823 1.00 0.00 H new ATOM 0 HB VAL A 26 19.911 -0.375 -10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.063 -2.822 -11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.442 -2.234 -10.354 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.099 -3.084 -9.553 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.833 -1.721 -11.103 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.872 -1.987 -9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.621 -0.348 -9.991 1.00 0.00 H new ATOM 391 N ASP A 27 18.342 0.739 -7.608 1.00 0.00 N ATOM 392 CA ASP A 27 17.525 1.947 -7.313 1.00 0.00 C ATOM 393 C ASP A 27 16.710 1.709 -6.048 1.00 0.00 C ATOM 394 O ASP A 27 16.884 0.722 -5.362 1.00 0.00 O ATOM 395 CB ASP A 27 16.580 2.219 -8.487 1.00 0.00 C ATOM 396 CG ASP A 27 15.978 3.618 -8.344 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.737 4.573 -8.374 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.769 3.711 -8.208 1.00 0.00 O ATOM 0 H ASP A 27 18.123 -0.085 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 27 18.180 2.806 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.122 2.139 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.787 1.471 -8.510 1.00 0.00 H new ATOM 403 N TYR A 28 15.817 2.605 -5.729 1.00 0.00 N ATOM 404 CA TYR A 28 14.995 2.418 -4.504 1.00 0.00 C ATOM 405 C TYR A 28 13.690 3.197 -4.622 1.00 0.00 C ATOM 406 O TYR A 28 13.384 3.787 -5.640 1.00 0.00 O ATOM 407 CB TYR A 28 15.777 2.883 -3.268 1.00 0.00 C ATOM 408 CG TYR A 28 15.853 4.397 -3.214 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.515 5.113 -4.231 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.271 5.093 -2.134 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.593 6.516 -4.170 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.350 6.494 -2.070 1.00 0.00 C ATOM 413 CZ TYR A 28 16.012 7.208 -3.089 1.00 0.00 C ATOM 414 OH TYR A 28 16.090 8.584 -3.028 1.00 0.00 O ATOM 0 H TYR A 28 15.623 3.453 -6.261 1.00 0.00 H new ATOM 0 HA TYR A 28 14.763 1.359 -4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.296 2.507 -2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.783 2.465 -3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.963 4.584 -5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.763 4.547 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.098 7.063 -4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.904 7.023 -1.241 1.00 0.00 H new ATOM 0 HH TYR A 28 17.000 8.870 -3.252 1.00 0.00 H new ATOM 424 N TYR A 29 12.915 3.181 -3.582 1.00 0.00 N ATOM 425 CA TYR A 29 11.612 3.889 -3.597 1.00 0.00 C ATOM 426 C TYR A 29 11.160 4.092 -2.144 1.00 0.00 C ATOM 427 O TYR A 29 11.280 3.204 -1.328 1.00 0.00 O ATOM 428 CB TYR A 29 10.607 3.022 -4.375 1.00 0.00 C ATOM 429 CG TYR A 29 9.187 3.416 -4.044 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.794 4.762 -4.141 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.258 2.436 -3.638 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.472 5.133 -3.831 1.00 0.00 C ATOM 433 CE2 TYR A 29 6.936 2.807 -3.329 1.00 0.00 C ATOM 434 CZ TYR A 29 6.543 4.156 -3.424 1.00 0.00 C ATOM 435 OH TYR A 29 5.247 4.519 -3.120 1.00 0.00 O ATOM 0 H TYR A 29 13.132 2.700 -2.709 1.00 0.00 H new ATOM 0 HA TYR A 29 11.686 4.863 -4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.779 3.131 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.763 1.971 -4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.506 5.511 -4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.561 1.402 -3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.170 6.167 -3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.223 2.057 -3.019 1.00 0.00 H new ATOM 0 HH TYR A 29 4.737 3.724 -2.858 1.00 0.00 H new ATOM 445 N GLU A 30 10.650 5.247 -1.809 1.00 0.00 N ATOM 446 CA GLU A 30 10.204 5.488 -0.399 1.00 0.00 C ATOM 447 C GLU A 30 8.698 5.223 -0.283 1.00 0.00 C ATOM 448 O GLU A 30 7.968 5.290 -1.251 1.00 0.00 O ATOM 449 CB GLU A 30 10.503 6.939 -0.009 1.00 0.00 C ATOM 450 CG GLU A 30 11.996 7.095 0.288 1.00 0.00 C ATOM 451 CD GLU A 30 12.317 8.573 0.521 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.719 9.402 -0.146 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.155 8.851 1.362 1.00 0.00 O ATOM 0 H GLU A 30 10.522 6.034 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 30 10.740 4.816 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.211 7.610 -0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.917 7.219 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.266 6.510 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.586 6.710 -0.544 1.00 0.00 H new ATOM 460 N THR A 31 8.236 4.916 0.898 1.00 0.00 N ATOM 461 CA THR A 31 6.783 4.633 1.096 1.00 0.00 C ATOM 462 C THR A 31 5.975 5.930 1.036 1.00 0.00 C ATOM 463 O THR A 31 6.450 6.957 0.592 1.00 0.00 O ATOM 464 CB THR A 31 6.584 3.988 2.468 1.00 0.00 C ATOM 465 OG1 THR A 31 7.267 4.760 3.438 1.00 0.00 O ATOM 466 CG2 THR A 31 7.138 2.561 2.446 1.00 0.00 C ATOM 0 H THR A 31 8.806 4.848 1.741 1.00 0.00 H new ATOM 0 HA THR A 31 6.441 3.963 0.307 1.00 0.00 H new ATOM 0 HB THR A 31 5.523 3.950 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.151 5.713 3.239 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.996 2.101 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.611 1.978 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.201 2.587 2.208 1.00 0.00 H new ATOM 474 N SER A 32 4.750 5.880 1.487 1.00 0.00 N ATOM 475 CA SER A 32 3.886 7.091 1.474 1.00 0.00 C ATOM 476 C SER A 32 4.125 7.907 2.743 1.00 0.00 C ATOM 477 O SER A 32 5.231 8.012 3.234 1.00 0.00 O ATOM 478 CB SER A 32 2.422 6.660 1.427 1.00 0.00 C ATOM 479 OG SER A 32 2.230 5.765 0.339 1.00 0.00 O ATOM 0 H SER A 32 4.309 5.043 1.867 1.00 0.00 H new ATOM 0 HA SER A 32 4.125 7.698 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.143 6.177 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.778 7.532 1.314 1.00 0.00 H new ATOM 0 HG SER A 32 1.462 6.059 -0.194 1.00 0.00 H new ATOM 485 N SER A 33 3.085 8.485 3.274 1.00 0.00 N ATOM 486 CA SER A 33 3.216 9.305 4.516 1.00 0.00 C ATOM 487 C SER A 33 1.960 9.120 5.363 1.00 0.00 C ATOM 488 O SER A 33 2.012 9.084 6.576 1.00 0.00 O ATOM 489 CB SER A 33 3.344 10.774 4.133 1.00 0.00 C ATOM 490 OG SER A 33 2.052 11.304 3.866 1.00 0.00 O ATOM 0 H SER A 33 2.139 8.425 2.898 1.00 0.00 H new ATOM 0 HA SER A 33 4.096 8.992 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.819 11.332 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.981 10.879 3.255 1.00 0.00 H new ATOM 0 HG SER A 33 2.131 12.250 3.621 1.00 0.00 H new ATOM 496 N LEU A 34 0.832 9.012 4.716 1.00 0.00 N ATOM 497 CA LEU A 34 -0.461 8.832 5.442 1.00 0.00 C ATOM 498 C LEU A 34 -0.279 7.872 6.617 1.00 0.00 C ATOM 499 O LEU A 34 -0.564 8.198 7.752 1.00 0.00 O ATOM 500 CB LEU A 34 -1.506 8.250 4.485 1.00 0.00 C ATOM 501 CG LEU A 34 -1.430 8.952 3.128 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.592 8.483 2.250 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.514 10.469 3.329 1.00 0.00 C ATOM 0 H LEU A 34 0.749 9.041 3.700 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.791 9.801 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.338 7.180 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.503 8.369 4.908 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.486 8.707 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.541 8.981 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.527 7.404 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.537 8.729 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.460 10.968 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.457 10.720 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.685 10.800 3.955 1.00 0.00 H new ATOM 515 N CYS A 35 0.191 6.688 6.350 1.00 0.00 N ATOM 516 CA CYS A 35 0.388 5.704 7.446 1.00 0.00 C ATOM 517 C CYS A 35 1.541 6.171 8.342 1.00 0.00 C ATOM 518 O CYS A 35 2.603 6.519 7.874 1.00 0.00 O ATOM 519 CB CYS A 35 0.705 4.327 6.850 1.00 0.00 C ATOM 520 SG CYS A 35 1.803 4.512 5.422 1.00 0.00 S ATOM 0 H CYS A 35 0.447 6.359 5.419 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.521 5.628 8.042 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.176 3.695 7.603 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.217 3.830 6.549 1.00 0.00 H new ATOM 525 N SER A 36 1.322 6.210 9.626 1.00 0.00 N ATOM 526 CA SER A 36 2.387 6.671 10.564 1.00 0.00 C ATOM 527 C SER A 36 3.577 5.697 10.584 1.00 0.00 C ATOM 528 O SER A 36 4.220 5.537 11.602 1.00 0.00 O ATOM 529 CB SER A 36 1.802 6.777 11.973 1.00 0.00 C ATOM 530 OG SER A 36 0.727 7.706 11.966 1.00 0.00 O ATOM 0 H SER A 36 0.445 5.941 10.071 1.00 0.00 H new ATOM 0 HA SER A 36 2.746 7.642 10.224 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.452 5.801 12.308 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.571 7.098 12.675 1.00 0.00 H new ATOM 0 HG SER A 36 0.349 7.775 12.867 1.00 0.00 H new ATOM 536 N GLN A 37 3.888 5.038 9.494 1.00 0.00 N ATOM 537 CA GLN A 37 5.047 4.090 9.524 1.00 0.00 C ATOM 538 C GLN A 37 5.653 3.913 8.123 1.00 0.00 C ATOM 539 O GLN A 37 5.625 2.826 7.586 1.00 0.00 O ATOM 540 CB GLN A 37 4.571 2.728 10.043 1.00 0.00 C ATOM 541 CG GLN A 37 3.277 2.322 9.330 1.00 0.00 C ATOM 542 CD GLN A 37 2.806 0.967 9.863 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.323 0.871 10.973 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.926 -0.093 9.110 1.00 0.00 N ATOM 0 H GLN A 37 3.401 5.112 8.601 1.00 0.00 H new ATOM 0 HA GLN A 37 5.812 4.501 10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.341 1.975 9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.404 2.777 11.119 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.507 3.076 9.492 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.444 2.264 8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.332 -0.013 8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.614 -1.001 9.454 1.00 0.00 H new ATOM 553 N PRO A 38 6.212 4.972 7.576 1.00 0.00 N ATOM 554 CA PRO A 38 6.851 4.905 6.246 1.00 0.00 C ATOM 555 C PRO A 38 8.107 4.024 6.341 1.00 0.00 C ATOM 556 O PRO A 38 8.455 3.529 7.394 1.00 0.00 O ATOM 557 CB PRO A 38 7.219 6.370 5.911 1.00 0.00 C ATOM 558 CG PRO A 38 6.933 7.225 7.180 1.00 0.00 C ATOM 559 CD PRO A 38 6.250 6.305 8.217 1.00 0.00 C ATOM 0 HA PRO A 38 6.210 4.473 5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.268 6.446 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.632 6.729 5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.859 7.635 7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.290 8.071 6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.811 6.278 9.151 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.247 6.657 8.457 1.00 0.00 H new ATOM 567 N ALA A 39 8.783 3.838 5.247 1.00 0.00 N ATOM 568 CA ALA A 39 10.013 3.009 5.248 1.00 0.00 C ATOM 569 C ALA A 39 10.698 3.182 3.897 1.00 0.00 C ATOM 570 O ALA A 39 10.126 3.729 2.976 1.00 0.00 O ATOM 571 CB ALA A 39 9.642 1.538 5.449 1.00 0.00 C ATOM 0 H ALA A 39 8.532 4.231 4.340 1.00 0.00 H new ATOM 0 HA ALA A 39 10.678 3.318 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.547 0.931 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.126 1.420 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.988 1.214 4.639 1.00 0.00 H new ATOM 577 N VAL A 40 11.906 2.705 3.753 1.00 0.00 N ATOM 578 CA VAL A 40 12.601 2.830 2.438 1.00 0.00 C ATOM 579 C VAL A 40 12.429 1.510 1.697 1.00 0.00 C ATOM 580 O VAL A 40 12.428 0.451 2.293 1.00 0.00 O ATOM 581 CB VAL A 40 14.093 3.119 2.659 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.873 2.853 1.366 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.266 4.585 3.049 1.00 0.00 C ATOM 0 H VAL A 40 12.440 2.236 4.485 1.00 0.00 H new ATOM 0 HA VAL A 40 12.178 3.650 1.858 1.00 0.00 H new ATOM 0 HB VAL A 40 14.471 2.472 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.931 3.060 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.748 1.810 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.495 3.499 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.323 4.797 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.884 5.221 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.714 4.785 3.968 1.00 0.00 H new ATOM 593 N VAL A 41 12.272 1.568 0.401 1.00 0.00 N ATOM 594 CA VAL A 41 12.085 0.322 -0.405 1.00 0.00 C ATOM 595 C VAL A 41 13.209 0.209 -1.436 1.00 0.00 C ATOM 596 O VAL A 41 13.361 1.049 -2.295 1.00 0.00 O ATOM 597 CB VAL A 41 10.726 0.380 -1.111 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.313 -1.025 -1.549 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.676 0.932 -0.142 1.00 0.00 C ATOM 0 H VAL A 41 12.265 2.433 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 41 12.114 -0.551 0.247 1.00 0.00 H new ATOM 0 HB VAL A 41 10.801 1.027 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.346 -0.980 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.059 -1.427 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.238 -1.672 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.708 0.975 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.607 0.281 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.965 1.934 0.176 1.00 0.00 H new ATOM 609 N PHE A 42 14.013 -0.818 -1.352 1.00 0.00 N ATOM 610 CA PHE A 42 15.141 -0.965 -2.322 1.00 0.00 C ATOM 611 C PHE A 42 14.692 -1.762 -3.549 1.00 0.00 C ATOM 612 O PHE A 42 14.042 -2.782 -3.443 1.00 0.00 O ATOM 613 CB PHE A 42 16.306 -1.705 -1.652 1.00 0.00 C ATOM 614 CG PHE A 42 17.043 -0.777 -0.713 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.708 0.361 -1.218 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.078 -1.052 0.669 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.401 1.218 -0.343 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.773 -0.195 1.541 1.00 0.00 C ATOM 619 CZ PHE A 42 18.434 0.940 1.036 1.00 0.00 C ATOM 0 H PHE A 42 13.939 -1.560 -0.656 1.00 0.00 H new ATOM 0 HA PHE A 42 15.458 0.030 -2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.930 -2.568 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.990 -2.085 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.685 0.574 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.570 -1.922 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.908 2.090 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.799 -0.408 2.599 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.967 1.598 1.707 1.00 0.00 H new ATOM 629 N GLN A 43 15.071 -1.309 -4.716 1.00 0.00 N ATOM 630 CA GLN A 43 14.718 -2.034 -5.972 1.00 0.00 C ATOM 631 C GLN A 43 15.936 -2.875 -6.369 1.00 0.00 C ATOM 632 O GLN A 43 17.027 -2.351 -6.514 1.00 0.00 O ATOM 633 CB GLN A 43 14.394 -1.008 -7.060 1.00 0.00 C ATOM 634 CG GLN A 43 13.146 -0.218 -6.663 1.00 0.00 C ATOM 635 CD GLN A 43 13.001 1.002 -7.574 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.487 1.002 -8.688 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.349 2.047 -7.146 1.00 0.00 N ATOM 0 H GLN A 43 15.616 -0.458 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 43 13.849 -2.678 -5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.237 -0.331 -7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.230 -1.512 -8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.262 -0.851 -6.742 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.219 0.099 -5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.941 2.046 -6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.247 2.865 -7.746 1.00 0.00 H new ATOM 646 N THR A 44 15.786 -4.181 -6.492 1.00 0.00 N ATOM 647 CA THR A 44 16.983 -5.041 -6.813 1.00 0.00 C ATOM 648 C THR A 44 17.048 -5.413 -8.294 1.00 0.00 C ATOM 649 O THR A 44 16.482 -4.763 -9.149 1.00 0.00 O ATOM 650 CB THR A 44 16.910 -6.329 -5.997 1.00 0.00 C ATOM 651 OG1 THR A 44 16.046 -7.245 -6.649 1.00 0.00 O ATOM 652 CG2 THR A 44 16.368 -6.018 -4.601 1.00 0.00 C ATOM 0 H THR A 44 14.903 -4.681 -6.386 1.00 0.00 H new ATOM 0 HA THR A 44 17.874 -4.464 -6.566 1.00 0.00 H new ATOM 0 HB THR A 44 17.905 -6.765 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.362 -8.160 -6.494 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.316 -6.937 -4.018 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.030 -5.310 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.371 -5.585 -4.686 1.00 0.00 H new ATOM 660 N LYS A 45 17.770 -6.472 -8.585 1.00 0.00 N ATOM 661 CA LYS A 45 17.938 -6.942 -9.992 1.00 0.00 C ATOM 662 C LYS A 45 17.161 -8.244 -10.212 1.00 0.00 C ATOM 663 O LYS A 45 16.818 -8.584 -11.327 1.00 0.00 O ATOM 664 CB LYS A 45 19.417 -7.224 -10.245 1.00 0.00 C ATOM 665 CG LYS A 45 20.235 -5.986 -9.907 1.00 0.00 C ATOM 666 CD LYS A 45 21.703 -6.232 -10.272 1.00 0.00 C ATOM 667 CE LYS A 45 22.423 -4.895 -10.397 1.00 0.00 C ATOM 668 NZ LYS A 45 22.024 -4.232 -11.671 1.00 0.00 N ATOM 0 H LYS A 45 18.257 -7.038 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 45 17.565 -6.173 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.746 -8.067 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.572 -7.502 -11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.853 -5.123 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.146 -5.756 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.181 -6.845 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.769 -6.782 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.176 -4.256 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.502 -5.048 -10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 22.304 -3.231 -11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 22.497 -4.702 -12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.993 -4.300 -11.790 1.00 0.00 H new ATOM 682 N ARG A 46 16.900 -8.987 -9.158 1.00 0.00 N ATOM 683 CA ARG A 46 16.165 -10.287 -9.302 1.00 0.00 C ATOM 684 C ARG A 46 14.992 -10.309 -8.321 1.00 0.00 C ATOM 685 O ARG A 46 14.808 -11.238 -7.564 1.00 0.00 O ATOM 686 CB ARG A 46 17.140 -11.446 -9.000 1.00 0.00 C ATOM 687 CG ARG A 46 16.652 -12.775 -9.630 1.00 0.00 C ATOM 688 CD ARG A 46 15.603 -13.472 -8.744 1.00 0.00 C ATOM 689 NE ARG A 46 15.661 -14.952 -8.975 1.00 0.00 N ATOM 690 CZ ARG A 46 15.609 -15.456 -10.180 1.00 0.00 C ATOM 691 NH1 ARG A 46 15.299 -14.706 -11.201 1.00 0.00 N ATOM 692 NH2 ARG A 46 15.811 -16.734 -10.355 1.00 0.00 N ATOM 0 H ARG A 46 17.165 -8.747 -8.203 1.00 0.00 H new ATOM 0 HA ARG A 46 15.780 -10.397 -10.316 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.130 -11.201 -9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.239 -11.568 -7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.225 -12.577 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.502 -13.441 -9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.792 -13.249 -7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.607 -13.095 -8.976 1.00 0.00 H new ATOM 0 HE ARG A 46 15.743 -15.579 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.094 -13.716 -11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.261 -15.109 -12.137 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.008 -17.334 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.772 -17.133 -11.293 1.00 0.00 H new ATOM 706 N SER A 47 14.189 -9.288 -8.338 1.00 0.00 N ATOM 707 CA SER A 47 13.018 -9.239 -7.433 1.00 0.00 C ATOM 708 C SER A 47 12.117 -8.098 -7.892 1.00 0.00 C ATOM 709 O SER A 47 11.644 -8.075 -9.010 1.00 0.00 O ATOM 710 CB SER A 47 13.471 -9.017 -5.984 1.00 0.00 C ATOM 711 OG SER A 47 13.935 -7.684 -5.827 1.00 0.00 O ATOM 0 H SER A 47 14.297 -8.477 -8.948 1.00 0.00 H new ATOM 0 HA SER A 47 12.474 -10.183 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.643 -9.207 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.263 -9.721 -5.729 1.00 0.00 H new ATOM 0 HG SER A 47 14.853 -7.616 -6.162 1.00 0.00 H new ATOM 717 N LYS A 48 11.897 -7.149 -7.047 1.00 0.00 N ATOM 718 CA LYS A 48 11.050 -5.990 -7.414 1.00 0.00 C ATOM 719 C LYS A 48 11.416 -4.855 -6.473 1.00 0.00 C ATOM 720 O LYS A 48 12.293 -4.062 -6.744 1.00 0.00 O ATOM 721 CB LYS A 48 9.568 -6.343 -7.239 1.00 0.00 C ATOM 722 CG LYS A 48 9.142 -7.357 -8.306 1.00 0.00 C ATOM 723 CD LYS A 48 7.615 -7.412 -8.379 1.00 0.00 C ATOM 724 CE LYS A 48 7.188 -8.580 -9.269 1.00 0.00 C ATOM 725 NZ LYS A 48 5.705 -8.718 -9.233 1.00 0.00 N ATOM 0 H LYS A 48 12.273 -7.122 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 48 11.213 -5.709 -8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.399 -6.756 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.959 -5.442 -7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.553 -7.075 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.541 -8.343 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.197 -7.531 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.226 -6.476 -8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.523 -8.412 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.658 -9.502 -8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.415 -9.512 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.397 -8.897 -8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.266 -7.841 -9.579 1.00 0.00 H new ATOM 739 N GLN A 49 10.759 -4.809 -5.348 1.00 0.00 N ATOM 740 CA GLN A 49 11.047 -3.763 -4.327 1.00 0.00 C ATOM 741 C GLN A 49 11.109 -4.457 -2.960 1.00 0.00 C ATOM 742 O GLN A 49 10.401 -5.419 -2.713 1.00 0.00 O ATOM 743 CB GLN A 49 9.935 -2.688 -4.353 1.00 0.00 C ATOM 744 CG GLN A 49 9.200 -2.728 -5.698 1.00 0.00 C ATOM 745 CD GLN A 49 8.221 -1.555 -5.780 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.512 -0.474 -5.311 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.065 -1.726 -6.361 1.00 0.00 N ATOM 0 H GLN A 49 10.021 -5.464 -5.088 1.00 0.00 H new ATOM 0 HA GLN A 49 11.994 -3.264 -4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.231 -2.861 -3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.368 -1.700 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.917 -2.675 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.664 -3.671 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.822 -2.635 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.405 -0.951 -6.421 1.00 0.00 H new ATOM 756 N VAL A 50 11.964 -4.003 -2.078 1.00 0.00 N ATOM 757 CA VAL A 50 12.083 -4.656 -0.734 1.00 0.00 C ATOM 758 C VAL A 50 12.063 -3.586 0.349 1.00 0.00 C ATOM 759 O VAL A 50 12.834 -2.655 0.320 1.00 0.00 O ATOM 760 CB VAL A 50 13.410 -5.434 -0.660 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.321 -6.500 0.439 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.696 -6.090 -2.021 1.00 0.00 C ATOM 0 H VAL A 50 12.586 -3.208 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 50 11.249 -5.342 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 50 14.224 -4.750 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.261 -7.050 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.130 -6.019 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.509 -7.190 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.635 -6.641 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.887 -6.776 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.769 -5.319 -2.788 1.00 0.00 H new ATOM 772 N CYS A 51 11.195 -3.724 1.308 1.00 0.00 N ATOM 773 CA CYS A 51 11.119 -2.715 2.395 1.00 0.00 C ATOM 774 C CYS A 51 12.342 -2.855 3.297 1.00 0.00 C ATOM 775 O CYS A 51 12.881 -3.931 3.467 1.00 0.00 O ATOM 776 CB CYS A 51 9.849 -2.952 3.211 1.00 0.00 C ATOM 777 SG CYS A 51 8.399 -2.743 2.147 1.00 0.00 S ATOM 0 H CYS A 51 10.532 -4.496 1.386 1.00 0.00 H new ATOM 0 HA CYS A 51 11.096 -1.712 1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.859 -3.956 3.636 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.805 -2.252 4.046 1.00 0.00 H new ATOM 782 N ALA A 52 12.792 -1.768 3.868 1.00 0.00 N ATOM 783 CA ALA A 52 13.994 -1.822 4.753 1.00 0.00 C ATOM 784 C ALA A 52 13.801 -0.873 5.937 1.00 0.00 C ATOM 785 O ALA A 52 13.354 0.249 5.783 1.00 0.00 O ATOM 786 CB ALA A 52 15.224 -1.383 3.955 1.00 0.00 C ATOM 0 H ALA A 52 12.378 -0.842 3.759 1.00 0.00 H new ATOM 0 HA ALA A 52 14.131 -2.839 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.105 -1.420 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.364 -2.051 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.080 -0.364 3.595 1.00 0.00 H new ATOM 792 N ASP A 53 14.135 -1.319 7.117 1.00 0.00 N ATOM 793 CA ASP A 53 13.976 -0.454 8.321 1.00 0.00 C ATOM 794 C ASP A 53 14.980 0.724 8.246 1.00 0.00 C ATOM 795 O ASP A 53 16.170 0.481 8.257 1.00 0.00 O ATOM 796 CB ASP A 53 14.286 -1.287 9.568 1.00 0.00 C ATOM 797 CG ASP A 53 13.861 -0.515 10.819 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.038 0.376 10.691 1.00 0.00 O ATOM 799 OD2 ASP A 53 14.365 -0.830 11.885 1.00 0.00 O ATOM 0 H ASP A 53 14.513 -2.249 7.300 1.00 0.00 H new ATOM 0 HA ASP A 53 12.958 -0.067 8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.760 -2.241 9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.352 -1.512 9.612 1.00 0.00 H new ATOM 804 N PRO A 54 14.513 1.967 8.171 1.00 0.00 N ATOM 805 CA PRO A 54 15.442 3.118 8.098 1.00 0.00 C ATOM 806 C PRO A 54 16.318 3.178 9.359 1.00 0.00 C ATOM 807 O PRO A 54 17.226 3.979 9.456 1.00 0.00 O ATOM 808 CB PRO A 54 14.531 4.365 7.999 1.00 0.00 C ATOM 809 CG PRO A 54 13.055 3.876 8.031 1.00 0.00 C ATOM 810 CD PRO A 54 13.076 2.336 8.151 1.00 0.00 C ATOM 0 HA PRO A 54 16.122 3.047 7.249 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.726 5.048 8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.732 4.914 7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.523 4.319 8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.530 4.183 7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.572 2.005 9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.561 1.869 7.312 1.00 0.00 H new ATOM 818 N SER A 55 16.040 2.354 10.327 1.00 0.00 N ATOM 819 CA SER A 55 16.843 2.383 11.583 1.00 0.00 C ATOM 820 C SER A 55 18.197 1.704 11.358 1.00 0.00 C ATOM 821 O SER A 55 19.126 1.896 12.117 1.00 0.00 O ATOM 822 CB SER A 55 16.083 1.645 12.688 1.00 0.00 C ATOM 823 OG SER A 55 14.719 2.044 12.666 1.00 0.00 O ATOM 0 H SER A 55 15.292 1.661 10.305 1.00 0.00 H new ATOM 0 HA SER A 55 17.008 3.420 11.876 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.161 0.568 12.542 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.524 1.868 13.660 1.00 0.00 H new ATOM 0 HG SER A 55 14.229 1.572 13.371 1.00 0.00 H new ATOM 829 N GLU A 56 18.323 0.917 10.324 1.00 0.00 N ATOM 830 CA GLU A 56 19.625 0.238 10.062 1.00 0.00 C ATOM 831 C GLU A 56 20.567 1.214 9.346 1.00 0.00 C ATOM 832 O GLU A 56 20.279 1.710 8.275 1.00 0.00 O ATOM 833 CB GLU A 56 19.389 -1.000 9.194 1.00 0.00 C ATOM 834 CG GLU A 56 18.890 -2.157 10.065 1.00 0.00 C ATOM 835 CD GLU A 56 20.044 -2.695 10.911 1.00 0.00 C ATOM 836 OE1 GLU A 56 21.076 -3.009 10.340 1.00 0.00 O ATOM 837 OE2 GLU A 56 19.877 -2.786 12.116 1.00 0.00 O ATOM 0 H GLU A 56 17.583 0.715 9.651 1.00 0.00 H new ATOM 0 HA GLU A 56 20.078 -0.072 11.004 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.658 -0.776 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.313 -1.284 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.080 -1.817 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.485 -2.950 9.437 1.00 0.00 H new ATOM 844 N SER A 57 21.683 1.500 9.951 1.00 0.00 N ATOM 845 CA SER A 57 22.660 2.454 9.353 1.00 0.00 C ATOM 846 C SER A 57 22.972 2.109 7.892 1.00 0.00 C ATOM 847 O SER A 57 23.094 2.986 7.061 1.00 0.00 O ATOM 848 CB SER A 57 23.956 2.416 10.162 1.00 0.00 C ATOM 849 OG SER A 57 24.376 1.067 10.312 1.00 0.00 O ATOM 0 H SER A 57 21.966 1.108 10.849 1.00 0.00 H new ATOM 0 HA SER A 57 22.217 3.450 9.378 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.730 2.996 9.659 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.801 2.872 11.140 1.00 0.00 H new ATOM 0 HG SER A 57 25.208 1.039 10.829 1.00 0.00 H new ATOM 855 N TRP A 58 23.132 0.855 7.566 1.00 0.00 N ATOM 856 CA TRP A 58 23.468 0.510 6.155 1.00 0.00 C ATOM 857 C TRP A 58 22.357 0.987 5.223 1.00 0.00 C ATOM 858 O TRP A 58 22.589 1.282 4.068 1.00 0.00 O ATOM 859 CB TRP A 58 23.708 -1.001 6.011 1.00 0.00 C ATOM 860 CG TRP A 58 22.421 -1.763 5.995 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.925 -2.462 7.042 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.481 -1.948 4.897 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.740 -3.062 6.660 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.417 -2.773 5.352 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.440 -1.483 3.561 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.351 -3.127 4.514 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.368 -1.838 2.714 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.324 -2.658 3.191 1.00 0.00 C ATOM 0 H TRP A 58 23.046 0.065 8.205 1.00 0.00 H new ATOM 0 HA TRP A 58 24.390 1.019 5.875 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.259 -1.197 5.091 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.329 -1.352 6.835 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.381 -2.539 8.018 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.173 -3.648 7.273 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.234 -0.853 3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.555 -3.757 4.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.347 -1.480 1.695 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.505 -2.925 2.539 1.00 0.00 H new ATOM 879 N VAL A 59 21.158 1.091 5.715 1.00 0.00 N ATOM 880 CA VAL A 59 20.050 1.573 4.849 1.00 0.00 C ATOM 881 C VAL A 59 20.260 3.054 4.563 1.00 0.00 C ATOM 882 O VAL A 59 20.155 3.502 3.439 1.00 0.00 O ATOM 883 CB VAL A 59 18.718 1.362 5.567 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.572 1.917 4.717 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.521 -0.136 5.796 1.00 0.00 C ATOM 0 H VAL A 59 20.897 0.865 6.675 1.00 0.00 H new ATOM 0 HA VAL A 59 20.038 1.019 3.910 1.00 0.00 H new ATOM 0 HB VAL A 59 18.724 1.886 6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.626 1.763 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.725 2.983 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.548 1.401 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.574 -0.304 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.511 -0.653 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.337 -0.521 6.407 1.00 0.00 H new ATOM 895 N GLN A 60 20.569 3.818 5.570 1.00 0.00 N ATOM 896 CA GLN A 60 20.802 5.273 5.351 1.00 0.00 C ATOM 897 C GLN A 60 22.024 5.464 4.448 1.00 0.00 C ATOM 898 O GLN A 60 22.060 6.342 3.611 1.00 0.00 O ATOM 899 CB GLN A 60 21.046 5.960 6.696 1.00 0.00 C ATOM 900 CG GLN A 60 21.070 7.477 6.498 1.00 0.00 C ATOM 901 CD GLN A 60 21.457 8.159 7.811 1.00 0.00 C ATOM 902 OE1 GLN A 60 21.175 7.651 8.879 1.00 0.00 O ATOM 903 NE2 GLN A 60 22.097 9.296 7.779 1.00 0.00 N ATOM 0 H GLN A 60 20.671 3.501 6.534 1.00 0.00 H new ATOM 0 HA GLN A 60 19.926 5.713 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.262 5.687 7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.991 5.623 7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.782 7.741 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.091 7.827 6.169 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.334 9.723 6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.360 9.758 8.650 1.00 0.00 H new ATOM 912 N GLU A 61 23.028 4.646 4.618 1.00 0.00 N ATOM 913 CA GLU A 61 24.254 4.776 3.779 1.00 0.00 C ATOM 914 C GLU A 61 23.923 4.475 2.314 1.00 0.00 C ATOM 915 O GLU A 61 24.301 5.204 1.419 1.00 0.00 O ATOM 916 CB GLU A 61 25.315 3.791 4.273 1.00 0.00 C ATOM 917 CG GLU A 61 26.660 4.120 3.621 1.00 0.00 C ATOM 918 CD GLU A 61 27.631 2.958 3.840 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.198 1.822 3.742 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.793 3.225 4.101 1.00 0.00 O ATOM 0 H GLU A 61 23.052 3.891 5.304 1.00 0.00 H new ATOM 0 HA GLU A 61 24.633 5.795 3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.401 3.847 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 61 25.021 2.770 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.525 4.299 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.069 5.035 4.048 1.00 0.00 H new ATOM 927 N TYR A 62 23.224 3.403 2.064 1.00 0.00 N ATOM 928 CA TYR A 62 22.872 3.050 0.656 1.00 0.00 C ATOM 929 C TYR A 62 22.003 4.158 0.053 1.00 0.00 C ATOM 930 O TYR A 62 22.102 4.466 -1.118 1.00 0.00 O ATOM 931 CB TYR A 62 22.108 1.715 0.631 1.00 0.00 C ATOM 932 CG TYR A 62 23.076 0.544 0.674 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.100 0.492 1.643 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.949 -0.500 -0.266 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.991 -0.599 1.669 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.840 -1.589 -0.237 1.00 0.00 C ATOM 937 CZ TYR A 62 24.861 -1.638 0.730 1.00 0.00 C ATOM 938 OH TYR A 62 25.736 -2.705 0.755 1.00 0.00 O ATOM 0 H TYR A 62 22.880 2.755 2.772 1.00 0.00 H new ATOM 0 HA TYR A 62 23.785 2.949 0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.428 1.663 1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.497 1.656 -0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.201 1.289 2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.166 -0.464 -1.009 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.775 -0.638 2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.740 -2.387 -0.957 1.00 0.00 H new ATOM 0 HH TYR A 62 25.506 -3.334 0.040 1.00 0.00 H new ATOM 948 N VAL A 63 21.165 4.767 0.842 1.00 0.00 N ATOM 949 CA VAL A 63 20.310 5.857 0.310 1.00 0.00 C ATOM 950 C VAL A 63 21.213 7.011 -0.097 1.00 0.00 C ATOM 951 O VAL A 63 21.025 7.638 -1.119 1.00 0.00 O ATOM 952 CB VAL A 63 19.334 6.315 1.397 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.623 7.596 0.954 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.297 5.217 1.643 1.00 0.00 C ATOM 0 H VAL A 63 21.036 4.556 1.832 1.00 0.00 H new ATOM 0 HA VAL A 63 19.738 5.510 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 63 19.887 6.512 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.930 7.916 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.360 8.380 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.071 7.406 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.601 5.541 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.749 5.021 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.801 4.306 1.967 1.00 0.00 H new ATOM 964 N TYR A 64 22.201 7.288 0.701 1.00 0.00 N ATOM 965 CA TYR A 64 23.130 8.394 0.375 1.00 0.00 C ATOM 966 C TYR A 64 23.874 8.060 -0.915 1.00 0.00 C ATOM 967 O TYR A 64 24.037 8.887 -1.789 1.00 0.00 O ATOM 968 CB TYR A 64 24.137 8.561 1.518 1.00 0.00 C ATOM 969 CG TYR A 64 24.798 9.917 1.424 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.086 11.075 1.795 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.126 10.026 0.964 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.701 12.339 1.707 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.740 11.290 0.877 1.00 0.00 C ATOM 974 CZ TYR A 64 26.028 12.446 1.248 1.00 0.00 C ATOM 975 OH TYR A 64 26.630 13.684 1.162 1.00 0.00 O ATOM 0 H TYR A 64 22.404 6.792 1.569 1.00 0.00 H new ATOM 0 HA TYR A 64 22.571 9.320 0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.631 8.459 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.890 7.775 1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.068 10.993 2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.673 9.140 0.678 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.155 13.226 1.992 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.758 11.373 0.525 1.00 0.00 H new ATOM 0 HH TYR A 64 27.546 13.580 0.828 1.00 0.00 H new ATOM 985 N ASP A 65 24.325 6.846 -1.031 1.00 0.00 N ATOM 986 CA ASP A 65 25.069 6.432 -2.255 1.00 0.00 C ATOM 987 C ASP A 65 24.156 6.562 -3.479 1.00 0.00 C ATOM 988 O ASP A 65 24.594 6.901 -4.561 1.00 0.00 O ATOM 989 CB ASP A 65 25.515 4.975 -2.099 1.00 0.00 C ATOM 990 CG ASP A 65 26.757 4.908 -1.205 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.676 5.674 -1.443 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.767 4.090 -0.299 1.00 0.00 O ATOM 0 H ASP A 65 24.211 6.116 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 65 25.942 7.071 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.710 4.383 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.735 4.545 -3.076 1.00 0.00 H new ATOM 997 N LEU A 66 22.895 6.291 -3.314 1.00 0.00 N ATOM 998 CA LEU A 66 21.949 6.393 -4.459 1.00 0.00 C ATOM 999 C LEU A 66 21.715 7.868 -4.798 1.00 0.00 C ATOM 1000 O LEU A 66 21.464 8.223 -5.933 1.00 0.00 O ATOM 1001 CB LEU A 66 20.624 5.728 -4.065 1.00 0.00 C ATOM 1002 CG LEU A 66 20.731 4.195 -4.221 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.669 3.510 -3.357 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.503 3.790 -5.687 1.00 0.00 C ATOM 0 H LEU A 66 22.475 6.001 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 66 22.363 5.892 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.375 5.980 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.817 6.109 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 66 21.728 3.887 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.749 2.429 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.823 3.777 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.678 3.836 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.581 2.707 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.510 4.111 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.255 4.265 -6.317 1.00 0.00 H new ATOM 1016 N GLU A 67 21.801 8.727 -3.824 1.00 0.00 N ATOM 1017 CA GLU A 67 21.592 10.180 -4.088 1.00 0.00 C ATOM 1018 C GLU A 67 22.801 10.730 -4.842 1.00 0.00 C ATOM 1019 O GLU A 67 22.700 11.678 -5.595 1.00 0.00 O ATOM 1020 CB GLU A 67 21.448 10.920 -2.758 1.00 0.00 C ATOM 1021 CG GLU A 67 20.145 10.500 -2.070 1.00 0.00 C ATOM 1022 CD GLU A 67 18.964 11.259 -2.681 1.00 0.00 C ATOM 1023 OE1 GLU A 67 18.792 12.418 -2.342 1.00 0.00 O ATOM 1024 OE2 GLU A 67 18.253 10.670 -3.478 1.00 0.00 O ATOM 0 H GLU A 67 22.007 8.488 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 67 20.690 10.320 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.299 10.698 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.450 11.997 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.995 9.426 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.206 10.704 -1.001 1.00 0.00 H new ATOM 1116 N SER B 5 10.573 -10.561 -3.240 1.00 0.00 N ATOM 1117 CA SER B 5 11.355 -10.151 -2.044 1.00 0.00 C ATOM 1118 C SER B 5 10.399 -9.670 -0.941 1.00 0.00 C ATOM 1119 O SER B 5 9.844 -10.464 -0.206 1.00 0.00 O ATOM 1120 CB SER B 5 12.294 -9.028 -2.452 1.00 0.00 C ATOM 1121 OG SER B 5 11.600 -8.152 -3.331 1.00 0.00 O ATOM 0 HA SER B 5 11.930 -10.993 -1.659 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.639 -8.485 -1.572 1.00 0.00 H new ATOM 0 HB3 SER B 5 13.178 -9.434 -2.943 1.00 0.00 H new ATOM 0 HG SER B 5 10.968 -8.667 -3.874 1.00 0.00 H new ATOM 1127 N ASP B 6 10.192 -8.379 -0.816 1.00 0.00 N ATOM 1128 CA ASP B 6 9.261 -7.876 0.243 1.00 0.00 C ATOM 1129 C ASP B 6 8.757 -6.472 -0.130 1.00 0.00 C ATOM 1130 O ASP B 6 9.088 -5.510 0.533 1.00 0.00 O ATOM 1131 CB ASP B 6 9.995 -7.810 1.594 1.00 0.00 C ATOM 1132 CG ASP B 6 8.972 -7.778 2.734 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.318 -8.786 2.946 1.00 0.00 O ATOM 1134 OD2 ASP B 6 8.862 -6.746 3.376 1.00 0.00 O ATOM 0 H ASP B 6 10.623 -7.659 -1.396 1.00 0.00 H new ATOM 0 HA ASP B 6 8.414 -8.557 0.322 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.651 -8.673 1.705 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.626 -6.922 1.633 1.00 0.00 H new ATOM 1139 N PRO B 7 7.969 -6.383 -1.181 1.00 0.00 N ATOM 1140 CA PRO B 7 7.430 -5.083 -1.627 1.00 0.00 C ATOM 1141 C PRO B 7 6.490 -4.511 -0.542 1.00 0.00 C ATOM 1142 O PRO B 7 6.137 -5.212 0.385 1.00 0.00 O ATOM 1143 CB PRO B 7 6.664 -5.400 -2.935 1.00 0.00 C ATOM 1144 CG PRO B 7 6.741 -6.938 -3.164 1.00 0.00 C ATOM 1145 CD PRO B 7 7.559 -7.544 -2.001 1.00 0.00 C ATOM 0 HA PRO B 7 8.203 -4.333 -1.794 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.626 -5.076 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.105 -4.865 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.741 -7.371 -3.195 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.214 -7.159 -4.121 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.961 -8.246 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.425 -8.093 -2.371 1.00 0.00 H new ATOM 1153 N PRO B 8 6.104 -3.258 -0.687 1.00 0.00 N ATOM 1154 CA PRO B 8 5.200 -2.609 0.285 1.00 0.00 C ATOM 1155 C PRO B 8 3.847 -3.340 0.308 1.00 0.00 C ATOM 1156 O PRO B 8 3.740 -4.481 -0.095 1.00 0.00 O ATOM 1157 CB PRO B 8 5.044 -1.156 -0.225 1.00 0.00 C ATOM 1158 CG PRO B 8 5.776 -1.062 -1.593 1.00 0.00 C ATOM 1159 CD PRO B 8 6.530 -2.394 -1.810 1.00 0.00 C ATOM 0 HA PRO B 8 5.586 -2.634 1.304 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.990 -0.899 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.471 -0.451 0.488 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.062 -0.890 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.471 -0.223 -1.599 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.275 -2.841 -2.771 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.609 -2.243 -1.805 1.00 0.00 H new ATOM 1167 N THR B 9 2.816 -2.686 0.776 1.00 0.00 N ATOM 1168 CA THR B 9 1.474 -3.337 0.823 1.00 0.00 C ATOM 1169 C THR B 9 0.386 -2.267 0.814 1.00 0.00 C ATOM 1170 O THR B 9 0.380 -1.360 1.623 1.00 0.00 O ATOM 1171 CB THR B 9 1.356 -4.169 2.099 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.513 -4.982 2.243 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.112 -5.055 2.019 1.00 0.00 C ATOM 0 H THR B 9 2.846 -1.729 1.128 1.00 0.00 H new ATOM 0 HA THR B 9 1.355 -3.983 -0.047 1.00 0.00 H new ATOM 0 HB THR B 9 1.271 -3.505 2.959 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.882 -5.185 1.358 1.00 0.00 H new ATOM 0 HG21 THR B 9 0.029 -5.648 2.930 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.774 -4.429 1.911 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.194 -5.720 1.159 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.538 -2.369 -0.098 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.634 -1.365 -0.172 1.00 0.00 C ATOM 1183 C ALA B 10 -2.557 -1.519 1.037 1.00 0.00 C ATOM 1184 O ALA B 10 -3.607 -2.124 0.952 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.436 -1.593 -1.451 1.00 0.00 C ATOM 0 H ALA B 10 -0.582 -3.109 -0.799 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.208 -0.362 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.241 -0.860 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.781 -1.484 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.860 -2.597 -1.441 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.177 -0.965 2.160 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.029 -1.058 3.387 1.00 0.00 C ATOM 1193 C CYS B 11 -3.630 0.319 3.672 1.00 0.00 C ATOM 1194 O CYS B 11 -2.966 1.331 3.555 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.164 -1.493 4.575 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.266 -3.008 4.148 1.00 0.00 S ATOM 0 H CYS B 11 -1.306 -0.448 2.282 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.825 -1.787 3.235 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.461 -0.702 4.835 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.790 -1.663 5.451 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.882 0.371 4.034 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.518 1.689 4.315 1.00 0.00 C ATOM 1203 C CYS B 12 -5.003 2.228 5.650 1.00 0.00 C ATOM 1204 O CYS B 12 -4.757 1.482 6.578 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.038 1.526 4.383 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.677 1.111 2.741 1.00 0.00 S ATOM 0 H CYS B 12 -5.491 -0.439 4.147 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.267 2.388 3.517 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.299 0.743 5.095 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.497 2.447 4.741 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.843 3.523 5.753 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.348 4.134 7.025 1.00 0.00 C ATOM 1213 C PHE B 13 -5.529 4.780 7.754 1.00 0.00 C ATOM 1214 O PHE B 13 -5.472 5.053 8.937 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.303 5.204 6.699 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.961 6.330 5.937 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.260 6.173 4.571 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.282 7.533 6.595 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.878 7.219 3.862 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.902 8.579 5.886 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.200 8.423 4.519 1.00 0.00 C ATOM 0 H PHE B 13 -5.036 4.189 5.005 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.897 3.368 7.656 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.856 5.584 7.618 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.496 4.772 6.107 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.015 5.250 4.067 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.052 7.653 7.643 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.106 7.099 2.813 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.149 9.501 6.391 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.675 9.226 3.974 1.00 0.00 H new ATOM 1231 N SER B 14 -6.600 5.021 7.048 1.00 0.00 N ATOM 1232 CA SER B 14 -7.795 5.647 7.679 1.00 0.00 C ATOM 1233 C SER B 14 -9.033 5.303 6.848 1.00 0.00 C ATOM 1234 O SER B 14 -9.066 4.307 6.153 1.00 0.00 O ATOM 1235 CB SER B 14 -7.614 7.164 7.725 1.00 0.00 C ATOM 1236 OG SER B 14 -7.592 7.675 6.399 1.00 0.00 O ATOM 0 H SER B 14 -6.698 4.809 6.055 1.00 0.00 H new ATOM 0 HA SER B 14 -7.916 5.270 8.695 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.426 7.622 8.290 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.687 7.416 8.239 1.00 0.00 H new ATOM 0 HG SER B 14 -6.718 8.081 6.219 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.054 6.116 6.911 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.288 5.829 6.121 1.00 0.00 C ATOM 1244 C TYR B 15 -12.026 7.138 5.835 1.00 0.00 C ATOM 1245 O TYR B 15 -11.814 8.137 6.492 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.203 4.890 6.918 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.373 3.839 7.615 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.973 2.682 6.920 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.000 4.017 8.960 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.199 1.702 7.571 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.226 3.037 9.613 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.826 1.880 8.918 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.068 0.919 9.556 1.00 0.00 O ATOM 0 H TYR B 15 -10.087 6.966 7.475 1.00 0.00 H new ATOM 0 HA TYR B 15 -11.012 5.353 5.180 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.775 5.460 7.650 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.922 4.415 6.251 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.260 2.546 5.888 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.307 4.905 9.492 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.891 0.814 7.038 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.940 3.173 10.645 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.898 1.197 10.480 1.00 0.00 H new ATOM 1263 N THR B 16 -12.895 7.138 4.864 1.00 0.00 N ATOM 1264 CA THR B 16 -13.645 8.385 4.548 1.00 0.00 C ATOM 1265 C THR B 16 -14.462 8.801 5.772 1.00 0.00 C ATOM 1266 O THR B 16 -14.251 8.313 6.865 1.00 0.00 O ATOM 1267 CB THR B 16 -14.569 8.148 3.345 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.388 9.290 3.141 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.452 6.924 3.591 1.00 0.00 C ATOM 0 H THR B 16 -13.118 6.333 4.278 1.00 0.00 H new ATOM 0 HA THR B 16 -12.945 9.181 4.295 1.00 0.00 H new ATOM 0 HB THR B 16 -13.958 7.973 2.459 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.976 9.138 2.372 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.103 6.766 2.731 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.824 6.045 3.737 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.060 7.087 4.481 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.395 9.698 5.600 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.235 10.156 6.746 1.00 0.00 C ATOM 1279 C ALA B 17 -17.670 10.315 6.256 1.00 0.00 C ATOM 1280 O ALA B 17 -18.495 10.933 6.897 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.717 11.503 7.248 1.00 0.00 C ATOM 0 H ALA B 17 -15.614 10.138 4.706 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.193 9.431 7.558 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.329 11.839 8.085 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.683 11.396 7.575 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.769 12.236 6.443 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.966 9.756 5.113 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.342 9.860 4.548 1.00 0.00 C ATOM 1289 C ARG B 18 -19.709 8.541 3.869 1.00 0.00 C ATOM 1290 O ARG B 18 -19.003 8.058 3.006 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.374 10.989 3.518 1.00 0.00 C ATOM 1292 CG ARG B 18 -18.816 12.273 4.145 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.275 13.490 3.342 1.00 0.00 C ATOM 1294 NE ARG B 18 -19.195 13.200 1.872 1.00 0.00 N ATOM 1295 CZ ARG B 18 -18.080 12.809 1.311 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -16.959 12.831 1.979 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -18.080 12.445 0.057 1.00 0.00 N ATOM 0 H ARG B 18 -17.307 9.227 4.542 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.055 10.069 5.345 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.785 10.714 2.643 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.396 11.154 3.175 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -19.154 12.360 5.178 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.727 12.232 4.169 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -20.298 13.750 3.614 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -18.652 14.351 3.585 1.00 0.00 H new ATOM 0 HE ARG B 18 -20.030 13.310 1.297 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -16.948 13.155 2.946 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -16.094 12.524 1.534 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -18.947 12.466 -0.480 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -17.213 12.139 -0.385 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.810 7.956 4.246 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.223 6.671 3.620 1.00 0.00 C ATOM 1313 C LYS B 19 -21.490 6.912 2.129 1.00 0.00 C ATOM 1314 O LYS B 19 -22.251 7.782 1.757 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.489 6.162 4.322 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.092 4.978 3.570 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.304 4.474 4.350 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.115 3.526 3.477 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.917 4.316 2.501 1.00 0.00 N ATOM 0 H LYS B 19 -21.443 8.313 4.962 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.438 5.921 3.722 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.249 5.865 5.343 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.221 6.967 4.388 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.387 5.279 2.565 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.354 4.183 3.461 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -23.979 3.962 5.256 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -24.923 5.315 4.664 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -24.451 2.842 2.949 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -25.773 2.917 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -26.052 3.760 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -26.844 4.542 2.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.415 5.198 2.273 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.857 6.152 1.275 1.00 0.00 N ATOM 1334 CA LEU B 20 -21.060 6.344 -0.189 1.00 0.00 C ATOM 1335 C LEU B 20 -22.450 5.806 -0.602 1.00 0.00 C ATOM 1336 O LEU B 20 -22.690 4.625 -0.451 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.996 5.550 -0.953 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.614 5.788 -0.343 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.557 5.166 -1.257 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.348 7.291 -0.212 1.00 0.00 C ATOM 0 H LEU B 20 -20.208 5.407 1.529 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.988 7.407 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.235 4.487 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.994 5.848 -2.002 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.572 5.333 0.647 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.567 5.330 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.740 4.095 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.610 5.629 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.361 7.449 0.223 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.388 7.755 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -19.105 7.740 0.431 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.331 6.643 -1.133 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.656 6.157 -1.564 1.00 0.00 C ATOM 1354 C PRO B 21 -24.483 5.021 -2.575 1.00 0.00 C ATOM 1355 O PRO B 21 -23.546 5.007 -3.345 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.337 7.380 -2.221 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.437 8.616 -1.937 1.00 0.00 C ATOM 1358 CD PRO B 21 -23.112 8.094 -1.343 1.00 0.00 C ATOM 0 HA PRO B 21 -25.250 5.764 -0.739 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.452 7.226 -3.294 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.336 7.530 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -24.253 9.176 -2.854 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.928 9.297 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.278 8.273 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.874 8.597 -0.406 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.386 4.080 -2.594 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.269 2.970 -3.580 1.00 0.00 C ATOM 1368 C ARG B 22 -25.062 3.572 -4.972 1.00 0.00 C ATOM 1369 O ARG B 22 -24.392 3.007 -5.813 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.553 2.138 -3.566 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.344 0.858 -4.380 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.543 -0.072 -4.185 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.350 -1.308 -4.992 1.00 0.00 N ATOM 1374 CZ ARG B 22 -28.083 -2.361 -4.758 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -28.985 -2.332 -3.815 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -27.915 -3.445 -5.465 1.00 0.00 N ATOM 0 H ARG B 22 -26.194 4.031 -1.974 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.426 2.329 -3.323 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.826 1.889 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.378 2.716 -3.983 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -26.227 1.101 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.428 0.359 -4.064 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -27.651 -0.327 -3.131 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.461 0.432 -4.487 1.00 0.00 H new ATOM 0 HE ARG B 22 -26.644 -1.331 -5.728 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -29.117 -1.486 -3.261 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -29.558 -3.156 -3.632 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -27.210 -3.469 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -28.489 -4.268 -5.281 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.635 4.722 -5.212 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.479 5.376 -6.543 1.00 0.00 C ATOM 1392 C ASN B 23 -24.055 5.918 -6.689 1.00 0.00 C ATOM 1393 O ASN B 23 -23.769 6.698 -7.576 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.477 6.530 -6.661 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.505 7.035 -8.105 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -25.980 6.396 -8.994 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -27.101 8.164 -8.377 1.00 0.00 N ATOM 0 H ASN B 23 -26.206 5.237 -4.541 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.668 4.645 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.471 6.197 -6.362 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.195 7.339 -5.987 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -27.126 8.509 -9.336 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -27.542 8.701 -7.630 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.161 5.520 -5.820 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.750 6.019 -5.898 1.00 0.00 C ATOM 1406 C PHE B 24 -20.789 4.865 -5.597 1.00 0.00 C ATOM 1407 O PHE B 24 -19.700 5.064 -5.095 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.565 7.144 -4.864 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.380 8.021 -5.224 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.359 8.722 -6.450 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.298 8.149 -4.327 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.263 9.544 -6.774 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.202 8.970 -4.655 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.186 9.668 -5.877 1.00 0.00 C ATOM 0 H PHE B 24 -23.346 4.869 -5.057 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.540 6.404 -6.896 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.469 7.750 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.416 6.713 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.185 8.627 -7.140 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.311 7.616 -3.388 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.249 10.080 -7.712 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.373 9.064 -3.969 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.346 10.300 -6.127 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.186 3.657 -5.907 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.308 2.475 -5.650 1.00 0.00 C ATOM 1426 C VAL B 25 -20.604 1.396 -6.695 1.00 0.00 C ATOM 1427 O VAL B 25 -21.460 0.555 -6.506 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.592 1.915 -4.252 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.634 0.762 -3.957 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.393 3.013 -3.205 1.00 0.00 C ATOM 0 H VAL B 25 -22.088 3.437 -6.330 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.263 2.777 -5.712 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.621 1.557 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.838 0.365 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.774 -0.026 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.606 1.123 -4.000 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.596 2.611 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.365 3.374 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.076 3.838 -3.409 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.909 1.419 -7.802 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.154 0.402 -8.863 1.00 0.00 C ATOM 1442 C VAL B 26 -19.344 -0.857 -8.572 1.00 0.00 C ATOM 1443 O VAL B 26 -19.544 -1.889 -9.182 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.726 0.979 -10.212 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.441 2.306 -10.446 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.213 1.210 -10.213 1.00 0.00 C ATOM 0 H VAL B 26 -19.181 2.100 -8.016 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.214 0.147 -8.885 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.987 0.279 -11.005 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.137 2.719 -11.408 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.519 2.144 -10.446 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.179 3.005 -9.652 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.908 1.621 -11.175 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -17.951 1.910 -9.420 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.700 0.263 -10.045 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.428 -0.789 -7.648 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.611 -1.993 -7.335 1.00 0.00 C ATOM 1458 C ASP B 27 -16.799 -1.738 -6.071 1.00 0.00 C ATOM 1459 O ASP B 27 -16.976 -0.741 -5.400 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.662 -2.282 -8.502 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.061 -3.678 -8.337 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.819 -4.634 -8.356 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.852 -3.769 -8.196 1.00 0.00 O ATOM 0 H ASP B 27 -18.210 0.043 -7.099 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.267 -2.849 -7.180 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.200 -2.216 -9.447 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.869 -1.535 -8.534 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.907 -2.628 -5.735 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.089 -2.425 -4.511 1.00 0.00 C ATOM 1470 C TYR B 28 -13.783 -3.205 -4.614 1.00 0.00 C ATOM 1471 O TYR B 28 -13.475 -3.809 -5.623 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.875 -2.872 -3.271 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.951 -4.385 -3.196 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.610 -5.115 -4.206 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.372 -5.065 -2.105 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.689 -6.518 -4.124 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.451 -6.466 -2.022 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.110 -7.194 -3.032 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.188 -8.570 -2.952 1.00 0.00 O ATOM 0 H TYR B 28 -15.711 -3.484 -6.254 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.856 -1.364 -4.417 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.397 -2.483 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.881 -2.454 -3.303 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.055 -4.597 -5.043 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.866 -4.508 -1.331 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.194 -7.076 -4.899 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.007 -6.984 -1.185 1.00 0.00 H new ATOM 0 HH TYR B 28 -17.098 -8.860 -3.174 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.011 -3.175 -3.573 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.708 -3.882 -3.574 1.00 0.00 C ATOM 1491 C TYR B 29 -11.260 -4.065 -2.118 1.00 0.00 C ATOM 1492 O TYR B 29 -11.383 -3.167 -1.315 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.702 -3.026 -4.363 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.281 -3.416 -4.022 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.889 -4.763 -4.099 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.355 -2.431 -3.627 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.567 -5.130 -3.780 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.033 -2.797 -3.309 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.639 -4.147 -3.384 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.344 -4.506 -3.072 1.00 0.00 O ATOM 0 H TYR B 29 -13.230 -2.683 -2.707 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.780 -4.863 -4.043 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.871 -3.151 -5.432 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.859 -1.971 -4.137 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.601 -5.516 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.659 -1.396 -3.568 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.265 -6.165 -3.839 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.321 -2.043 -3.008 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.835 -3.707 -2.820 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.752 -5.216 -1.765 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.309 -5.437 -0.350 1.00 0.00 C ATOM 1512 C GLU B 30 -8.804 -5.170 -0.234 1.00 0.00 C ATOM 1513 O GLU B 30 -8.070 -5.250 -1.200 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.609 -6.881 0.058 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.103 -7.035 0.354 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.425 -8.508 0.607 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.826 -9.346 -0.047 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.266 -8.775 1.449 1.00 0.00 O ATOM 0 H GLU B 30 -10.624 -6.012 -2.390 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.846 -4.755 0.309 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.315 -7.563 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.025 -7.149 0.938 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.375 -6.438 1.224 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.691 -6.662 -0.485 1.00 0.00 H new ATOM 1525 N THR B 31 -8.346 -4.846 0.944 1.00 0.00 N ATOM 1526 CA THR B 31 -6.891 -4.560 1.141 1.00 0.00 C ATOM 1527 C THR B 31 -6.084 -5.858 1.101 1.00 0.00 C ATOM 1528 O THR B 31 -6.558 -6.891 0.672 1.00 0.00 O ATOM 1529 CB THR B 31 -6.697 -3.896 2.504 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.383 -4.654 3.484 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.250 -2.470 2.461 1.00 0.00 C ATOM 0 H THR B 31 -8.918 -4.766 1.785 1.00 0.00 H new ATOM 0 HA THR B 31 -6.546 -3.902 0.344 1.00 0.00 H new ATOM 0 HB THR B 31 -5.636 -3.855 2.752 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.473 -5.580 3.177 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.112 -1.997 3.433 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.720 -1.897 1.700 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.313 -2.499 2.220 1.00 0.00 H new ATOM 1539 N SER B 32 -4.861 -5.802 1.556 1.00 0.00 N ATOM 1540 CA SER B 32 -3.996 -7.014 1.563 1.00 0.00 C ATOM 1541 C SER B 32 -4.239 -7.812 2.842 1.00 0.00 C ATOM 1542 O SER B 32 -5.346 -7.909 3.331 1.00 0.00 O ATOM 1543 CB SER B 32 -2.532 -6.582 1.514 1.00 0.00 C ATOM 1544 OG SER B 32 -2.337 -5.704 0.414 1.00 0.00 O ATOM 0 H SER B 32 -4.421 -4.959 1.926 1.00 0.00 H new ATOM 0 HA SER B 32 -4.232 -7.634 0.698 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.257 -6.085 2.444 1.00 0.00 H new ATOM 0 HB3 SER B 32 -1.887 -7.455 1.416 1.00 0.00 H new ATOM 0 HG SER B 32 -1.567 -6.005 -0.112 1.00 0.00 H new ATOM 1550 N SER B 33 -3.200 -8.381 3.384 1.00 0.00 N ATOM 1551 CA SER B 33 -3.334 -9.183 4.638 1.00 0.00 C ATOM 1552 C SER B 33 -2.081 -8.987 5.485 1.00 0.00 C ATOM 1553 O SER B 33 -2.136 -8.933 6.697 1.00 0.00 O ATOM 1554 CB SER B 33 -3.462 -10.659 4.275 1.00 0.00 C ATOM 1555 OG SER B 33 -2.170 -11.192 4.019 1.00 0.00 O ATOM 0 H SER B 33 -2.253 -8.326 3.010 1.00 0.00 H new ATOM 0 HA SER B 33 -4.215 -8.861 5.193 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.939 -11.206 5.088 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.097 -10.776 3.397 1.00 0.00 H new ATOM 0 HG SER B 33 -2.248 -12.141 3.787 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.951 -8.888 4.838 1.00 0.00 N ATOM 1562 CA LEU B 34 0.340 -8.698 5.566 1.00 0.00 C ATOM 1563 C LEU B 34 0.154 -7.721 6.728 1.00 0.00 C ATOM 1564 O LEU B 34 0.437 -8.032 7.868 1.00 0.00 O ATOM 1565 CB LEU B 34 1.388 -8.129 4.605 1.00 0.00 C ATOM 1566 CG LEU B 34 1.315 -8.851 3.258 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.480 -8.395 2.376 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.399 -10.364 3.480 1.00 0.00 C ATOM 0 H LEU B 34 -0.865 -8.931 3.823 1.00 0.00 H new ATOM 0 HA LEU B 34 0.669 -9.662 5.954 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.221 -7.061 4.463 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.384 -8.242 5.033 1.00 0.00 H new ATOM 0 HG LEU B 34 0.371 -8.613 2.767 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.431 -8.907 1.415 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.416 -7.319 2.217 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.423 -8.634 2.867 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.347 -10.876 2.519 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.341 -10.608 3.971 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.569 -10.686 4.108 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.315 -6.541 6.442 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.516 -5.541 7.525 1.00 0.00 C ATOM 1582 C CYS B 35 -1.671 -5.997 8.422 1.00 0.00 C ATOM 1583 O CYS B 35 -2.731 -6.351 7.956 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.830 -4.173 6.907 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.924 -4.379 5.480 1.00 0.00 S ATOM 0 H CYS B 35 -0.568 -6.225 5.506 1.00 0.00 H new ATOM 0 HA CYS B 35 0.390 -5.455 8.125 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.302 -3.529 7.649 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.094 -3.682 6.600 1.00 0.00 H new ATOM 1590 N SER B 36 -1.455 -6.017 9.707 1.00 0.00 N ATOM 1591 CA SER B 36 -2.523 -6.465 10.650 1.00 0.00 C ATOM 1592 C SER B 36 -3.712 -5.490 10.653 1.00 0.00 C ATOM 1593 O SER B 36 -4.359 -5.317 11.667 1.00 0.00 O ATOM 1594 CB SER B 36 -1.941 -6.551 12.061 1.00 0.00 C ATOM 1595 OG SER B 36 -0.866 -7.480 12.070 1.00 0.00 O ATOM 0 H SER B 36 -0.579 -5.741 10.150 1.00 0.00 H new ATOM 0 HA SER B 36 -2.882 -7.441 10.324 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.592 -5.570 12.383 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.712 -6.862 12.766 1.00 0.00 H new ATOM 0 HG SER B 36 -0.490 -7.536 12.973 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.021 -4.847 9.553 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.179 -3.899 9.566 1.00 0.00 C ATOM 1603 C GLN B 37 -5.782 -3.742 8.162 1.00 0.00 C ATOM 1604 O GLN B 37 -5.753 -2.662 7.609 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.705 -2.530 10.067 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.409 -2.133 9.353 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.940 -0.771 9.867 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.460 -0.660 10.978 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -3.058 0.278 9.100 1.00 0.00 N ATOM 0 H GLN B 37 -3.532 -4.934 8.662 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.946 -4.301 10.228 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.475 -1.780 9.885 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.541 -2.564 11.144 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.639 -2.885 9.529 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.573 -2.090 8.276 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -3.461 0.185 8.167 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -2.747 1.191 9.433 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.339 -4.809 7.627 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.974 -4.760 6.296 1.00 0.00 C ATOM 1620 C PRO B 38 -8.231 -3.879 6.374 1.00 0.00 C ATOM 1621 O PRO B 38 -8.582 -3.369 7.418 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.342 -6.229 5.979 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.059 -7.066 7.262 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.378 -6.132 8.288 1.00 0.00 C ATOM 0 HA PRO B 38 -6.329 -4.338 5.525 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.390 -6.309 5.692 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.753 -6.600 5.141 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.986 -7.470 7.668 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.416 -7.915 7.031 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.941 -6.092 9.221 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.375 -6.480 8.535 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.904 -3.707 5.276 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.133 -2.878 5.261 1.00 0.00 C ATOM 1634 C ALA B 39 -10.815 -3.070 3.912 1.00 0.00 C ATOM 1635 O ALA B 39 -10.241 -3.630 3.000 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.763 -1.405 5.442 1.00 0.00 C ATOM 0 H ALA B 39 -8.650 -4.112 4.375 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.800 -3.175 6.071 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.668 -0.798 5.430 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.250 -1.273 6.395 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.106 -1.092 4.630 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.022 -2.595 3.758 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.715 -2.739 2.442 1.00 0.00 C ATOM 1644 C VAL B 40 -12.540 -1.429 1.683 1.00 0.00 C ATOM 1645 O VAL B 40 -12.541 -0.362 2.265 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.206 -3.024 2.662 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -14.983 -2.776 1.364 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.381 -4.486 3.072 1.00 0.00 C ATOM 0 H VAL B 40 -12.557 -2.115 4.482 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.291 -3.568 1.875 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.585 -2.365 3.443 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.041 -2.981 1.528 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.858 -1.737 1.058 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.604 -3.433 0.582 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.439 -4.695 3.230 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -13.997 -5.133 2.284 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.832 -4.673 3.995 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.380 -1.506 0.389 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.190 -0.271 -0.435 1.00 0.00 C ATOM 1660 C VAL B 41 -13.311 -0.173 -1.469 1.00 0.00 C ATOM 1661 O VAL B 41 -13.461 -1.025 -2.316 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.829 -0.339 -1.136 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.414 1.059 -1.592 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.782 -0.876 -0.157 1.00 0.00 C ATOM 0 H VAL B 41 -12.372 -2.378 -0.139 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.220 0.611 0.204 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.902 -0.998 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.446 1.007 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.158 1.451 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.342 1.718 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.812 -0.926 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.715 -0.212 0.705 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.072 -1.873 0.175 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.116 0.855 -1.402 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.241 0.989 -2.378 1.00 0.00 C ATOM 1676 C PHE B 42 -14.788 1.768 -3.615 1.00 0.00 C ATOM 1677 O PHE B 42 -14.138 2.790 -3.521 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.408 1.739 -1.723 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.148 0.822 -0.771 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.810 -0.321 -1.263 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.186 1.118 0.606 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.506 -1.167 -0.378 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.883 0.274 1.488 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.543 -0.869 0.997 1.00 0.00 C ATOM 0 H PHE B 42 -14.045 1.606 -0.716 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.557 -0.010 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.034 2.610 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.090 2.107 -2.490 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.783 -0.548 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.679 1.994 0.984 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.011 -2.044 -0.754 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.912 0.502 2.543 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.078 -1.517 1.676 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.164 1.299 -4.776 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.807 2.006 -6.041 1.00 0.00 C ATOM 1696 C GLN B 43 -16.024 2.841 -6.453 1.00 0.00 C ATOM 1697 O GLN B 43 -17.114 2.314 -6.594 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.481 0.965 -7.114 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.233 0.180 -6.702 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.087 -1.052 -7.596 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.569 -1.068 -8.711 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.435 -2.091 -7.152 1.00 0.00 N ATOM 0 H GLN B 43 -15.709 0.446 -4.903 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.938 2.651 -5.911 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.324 0.286 -7.245 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.315 1.456 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.349 0.811 -6.788 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.309 -0.122 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -12.030 -2.077 -6.216 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.330 -2.917 -7.741 1.00 0.00 H new ATOM 1711 N THR B 44 -15.874 4.145 -6.594 1.00 0.00 N ATOM 1712 CA THR B 44 -17.069 5.000 -6.931 1.00 0.00 C ATOM 1713 C THR B 44 -17.132 5.353 -8.417 1.00 0.00 C ATOM 1714 O THR B 44 -16.562 4.690 -9.262 1.00 0.00 O ATOM 1715 CB THR B 44 -17.000 6.300 -6.133 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.134 7.208 -6.796 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.462 6.009 -4.732 1.00 0.00 C ATOM 0 H THR B 44 -14.992 4.647 -6.492 1.00 0.00 H new ATOM 0 HA THR B 44 -17.959 4.424 -6.678 1.00 0.00 H new ATOM 0 HB THR B 44 -17.996 6.736 -6.053 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.442 8.126 -6.642 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.412 6.936 -4.161 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.125 5.307 -4.226 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.465 5.576 -4.808 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.852 6.407 -8.725 1.00 0.00 N ATOM 1726 CA LYS B 45 -18.016 6.858 -10.139 1.00 0.00 C ATOM 1727 C LYS B 45 -17.238 8.156 -10.375 1.00 0.00 C ATOM 1728 O LYS B 45 -16.892 8.480 -11.494 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.495 7.136 -10.400 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.314 5.903 -10.047 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.781 6.143 -10.420 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.501 4.804 -10.528 1.00 0.00 C ATOM 1733 NZ LYS B 45 -22.097 4.123 -11.791 1.00 0.00 N ATOM 0 H LYS B 45 -18.341 6.983 -8.040 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.641 6.080 -10.804 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.826 7.988 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.647 7.399 -11.447 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.930 5.033 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.228 5.689 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.262 6.767 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.844 6.680 -11.367 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.257 4.177 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -23.580 4.957 -10.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -22.284 3.103 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -22.643 4.513 -12.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -21.082 4.277 -11.959 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.981 8.913 -9.332 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.246 10.212 -9.491 1.00 0.00 C ATOM 1749 C ARG B 46 -15.075 10.248 -8.507 1.00 0.00 C ATOM 1750 O ARG B 46 -14.892 11.186 -7.763 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.220 11.375 -9.208 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.730 12.695 -9.856 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.684 13.404 -8.977 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.742 14.881 -9.229 1.00 0.00 N ATOM 1755 CZ ARG B 46 -15.687 15.368 -10.441 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -15.374 14.603 -11.450 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -15.887 16.643 -10.634 1.00 0.00 N ATOM 0 H ARG B 46 -17.249 8.686 -8.374 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.859 10.308 -10.506 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.209 11.125 -9.592 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.322 11.512 -8.131 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.300 12.483 -10.835 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.579 13.358 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.876 13.196 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.687 13.024 -9.201 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.826 15.519 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -15.170 13.615 -11.297 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -15.334 14.992 -12.392 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -16.085 17.254 -9.842 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -15.845 17.029 -11.577 1.00 0.00 H new ATOM 1771 N SER B 47 -14.272 9.227 -8.508 1.00 0.00 N ATOM 1772 CA SER B 47 -13.103 9.190 -7.600 1.00 0.00 C ATOM 1773 C SER B 47 -12.202 8.043 -8.039 1.00 0.00 C ATOM 1774 O SER B 47 -11.725 8.004 -9.156 1.00 0.00 O ATOM 1775 CB SER B 47 -13.561 8.988 -6.148 1.00 0.00 C ATOM 1776 OG SER B 47 -14.025 7.658 -5.974 1.00 0.00 O ATOM 0 H SER B 47 -14.378 8.408 -9.107 1.00 0.00 H new ATOM 0 HA SER B 47 -12.559 10.133 -7.648 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.735 9.188 -5.465 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.354 9.695 -5.905 1.00 0.00 H new ATOM 0 HG SER B 47 -14.948 7.589 -6.296 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.984 7.105 -7.181 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.136 5.941 -7.529 1.00 0.00 C ATOM 1784 C LYS B 48 -11.504 4.820 -6.574 1.00 0.00 C ATOM 1785 O LYS B 48 -12.381 4.022 -6.835 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.655 6.298 -7.354 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.226 7.295 -8.435 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.698 7.350 -8.504 1.00 0.00 C ATOM 1789 CE LYS B 48 -7.269 8.506 -9.410 1.00 0.00 C ATOM 1790 NZ LYS B 48 -5.785 8.644 -9.372 1.00 0.00 N ATOM 0 H LYS B 48 -12.363 7.091 -6.234 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.296 5.644 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.490 6.727 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.045 5.397 -7.416 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.633 6.997 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.626 8.284 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.283 7.484 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.307 6.408 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.602 8.324 -10.432 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.739 9.433 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -5.494 9.430 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -5.479 8.837 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -5.346 7.762 -9.705 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.851 4.789 -5.444 1.00 0.00 N ATOM 1805 CA GLN B 49 -11.142 3.758 -4.411 1.00 0.00 C ATOM 1806 C GLN B 49 -11.207 4.473 -3.054 1.00 0.00 C ATOM 1807 O GLN B 49 -10.499 5.437 -2.819 1.00 0.00 O ATOM 1808 CB GLN B 49 -10.029 2.683 -4.419 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.291 2.704 -5.762 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.311 1.531 -5.825 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.602 0.455 -5.342 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -7.153 1.693 -6.405 1.00 0.00 N ATOM 0 H GLN B 49 -10.115 5.448 -5.190 1.00 0.00 H new ATOM 0 HA GLN B 49 -12.088 3.255 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.327 2.868 -3.606 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.462 1.698 -4.248 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.006 2.639 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.755 3.646 -5.880 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -6.908 2.596 -6.811 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -6.493 0.917 -6.452 1.00 0.00 H new ATOM 1821 N VAL B 50 -12.064 4.030 -2.167 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.188 4.702 -0.833 1.00 0.00 C ATOM 1823 C VAL B 50 -12.170 3.648 0.265 1.00 0.00 C ATOM 1824 O VAL B 50 -12.941 2.715 0.247 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.514 5.481 -0.774 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.428 6.562 0.310 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.796 6.117 -2.145 1.00 0.00 C ATOM 0 H VAL B 50 -12.684 3.232 -2.308 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.355 5.391 -0.692 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.329 4.801 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.368 7.113 0.350 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.240 6.094 1.276 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.615 7.249 0.075 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.735 6.669 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.986 6.799 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.868 5.335 -2.901 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.304 3.800 1.224 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.232 2.805 2.325 1.00 0.00 C ATOM 1839 C CYS B 51 -12.457 2.958 3.222 1.00 0.00 C ATOM 1840 O CYS B 51 -12.997 4.036 3.375 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.963 3.054 3.142 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.511 2.830 2.085 1.00 0.00 S ATOM 0 H CYS B 51 -10.641 4.572 1.293 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.209 1.796 1.913 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.975 4.063 3.553 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.921 2.366 3.987 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.909 1.879 3.807 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.114 1.946 4.687 1.00 0.00 C ATOM 1849 C ALA B 52 -13.924 1.013 5.885 1.00 0.00 C ATOM 1850 O ALA B 52 -13.476 -0.110 5.748 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.342 1.495 3.892 1.00 0.00 C ATOM 0 H ALA B 52 -12.494 0.952 3.713 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.253 2.969 5.038 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.225 1.542 4.529 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.480 2.151 3.032 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.197 0.471 3.548 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.261 1.475 7.058 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.105 0.628 8.275 1.00 0.00 C ATOM 1859 C ASP B 53 -15.109 -0.551 8.213 1.00 0.00 C ATOM 1860 O ASP B 53 -16.299 -0.309 8.217 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.418 1.478 9.509 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.997 0.724 10.772 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.174 -0.169 10.658 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -14.504 1.054 11.831 1.00 0.00 O ATOM 0 H ASP B 53 -14.639 2.407 7.227 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.087 0.242 8.328 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -13.892 2.431 9.450 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -15.484 1.704 9.547 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.642 -1.796 8.158 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.570 -2.947 8.098 1.00 0.00 C ATOM 1871 C PRO B 54 -16.450 -2.991 9.357 1.00 0.00 C ATOM 1872 O PRO B 54 -17.358 -3.789 9.463 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.660 -4.195 8.018 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.183 -3.706 8.047 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.205 -2.164 8.146 1.00 0.00 C ATOM 0 HA PRO B 54 -16.248 -2.886 7.246 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.857 -4.866 8.854 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.859 -4.756 7.105 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.653 -4.137 8.897 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.656 -4.025 7.148 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.703 -1.820 9.050 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.689 -1.708 7.301 1.00 0.00 H new ATOM 1883 N SER B 55 -16.174 -2.153 10.314 1.00 0.00 N ATOM 1884 CA SER B 55 -16.981 -2.162 11.569 1.00 0.00 C ATOM 1885 C SER B 55 -18.334 -1.488 11.330 1.00 0.00 C ATOM 1886 O SER B 55 -19.266 -1.668 12.088 1.00 0.00 O ATOM 1887 CB SER B 55 -16.224 -1.410 12.664 1.00 0.00 C ATOM 1888 OG SER B 55 -14.860 -1.809 12.652 1.00 0.00 O ATOM 0 H SER B 55 -15.425 -1.461 10.284 1.00 0.00 H new ATOM 0 HA SER B 55 -17.148 -3.194 11.878 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.302 -0.335 12.503 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.667 -1.619 13.638 1.00 0.00 H new ATOM 0 HG SER B 55 -14.372 -1.327 13.352 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.457 -0.715 10.285 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.759 -0.040 10.010 1.00 0.00 C ATOM 1896 C GLU B 56 -20.700 -1.026 9.304 1.00 0.00 C ATOM 1897 O GLU B 56 -20.408 -1.538 8.242 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.520 1.185 9.125 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.023 2.354 9.980 1.00 0.00 C ATOM 1900 CD GLU B 56 -20.180 2.905 10.816 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -21.210 3.210 10.238 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -20.016 3.013 12.020 1.00 0.00 O ATOM 0 H GLU B 56 -17.716 -0.522 9.612 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.215 0.282 10.946 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.787 0.950 8.353 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.443 1.462 8.615 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.215 2.023 10.632 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.616 3.138 9.341 1.00 0.00 H new ATOM 1909 N SER B 57 -21.817 -1.303 9.910 1.00 0.00 N ATOM 1910 CA SER B 57 -22.793 -2.267 9.324 1.00 0.00 C ATOM 1911 C SER B 57 -23.100 -1.942 7.857 1.00 0.00 C ATOM 1912 O SER B 57 -23.220 -2.830 7.037 1.00 0.00 O ATOM 1913 CB SER B 57 -24.090 -2.217 10.129 1.00 0.00 C ATOM 1914 OG SER B 57 -24.512 -0.866 10.258 1.00 0.00 O ATOM 0 H SER B 57 -22.102 -0.897 10.801 1.00 0.00 H new ATOM 0 HA SER B 57 -22.351 -3.263 9.365 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.862 -2.805 9.633 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.937 -2.658 11.114 1.00 0.00 H new ATOM 0 HG SER B 57 -25.345 -0.831 10.773 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.259 -0.693 7.513 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.592 -0.367 6.096 1.00 0.00 C ATOM 1922 C TRP B 58 -22.478 -0.857 5.174 1.00 0.00 C ATOM 1923 O TRP B 58 -22.706 -1.168 4.023 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.830 1.141 5.929 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.544 1.904 5.907 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -22.051 2.617 6.945 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.600 2.073 4.808 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.865 3.212 6.558 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.538 2.905 5.255 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.556 1.589 3.479 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.470 3.247 4.416 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.481 1.932 2.630 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.439 2.759 3.100 1.00 0.00 C ATOM 0 H TRP B 58 -23.174 0.106 8.141 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.515 -0.879 5.822 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.377 1.323 5.004 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.455 1.504 6.745 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.510 2.707 7.919 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.300 3.807 7.164 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.349 0.954 3.112 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.675 3.882 4.779 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.456 1.560 1.617 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.618 3.017 2.448 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.279 -0.954 5.671 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.169 -1.448 4.815 1.00 0.00 C ATOM 1946 C VAL B 59 -20.378 -2.934 4.548 1.00 0.00 C ATOM 1947 O VAL B 59 -20.271 -3.397 3.431 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.839 -1.228 5.534 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.690 -1.794 4.694 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.643 0.274 5.740 1.00 0.00 C ATOM 0 H VAL B 59 -21.020 -0.714 6.628 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.154 -0.907 3.869 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.848 -1.739 6.497 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.746 -1.633 5.214 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.843 -2.862 4.542 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.663 -1.290 3.728 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.697 0.451 6.253 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.630 0.775 4.772 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.461 0.668 6.342 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.691 -3.683 5.566 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.922 -5.141 5.366 1.00 0.00 C ATOM 1962 C GLN B 60 -22.143 -5.343 4.463 1.00 0.00 C ATOM 1963 O GLN B 60 -22.176 -6.235 3.638 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.171 -5.809 6.720 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.194 -7.328 6.543 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.585 -7.991 7.866 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -21.306 -7.469 8.926 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -22.225 -9.129 7.848 1.00 0.00 N ATOM 0 H GLN B 60 -20.797 -3.352 6.525 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.045 -5.588 4.898 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.390 -5.526 7.426 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.118 -5.467 7.138 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -21.904 -7.603 5.763 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.214 -7.682 6.222 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -22.460 -9.568 6.958 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -22.490 -9.579 8.724 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.147 -4.524 4.619 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.371 -4.666 3.777 1.00 0.00 C ATOM 1979 C GLU B 61 -24.035 -4.385 2.310 1.00 0.00 C ATOM 1980 O GLU B 61 -24.411 -5.127 1.425 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.433 -3.673 4.254 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.777 -4.012 3.605 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.748 -2.847 3.804 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.314 -1.713 3.691 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.910 -3.110 4.066 1.00 0.00 O ATOM 0 H GLU B 61 -23.173 -3.760 5.295 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.750 -5.684 3.867 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.521 -3.712 5.340 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.138 -2.656 3.995 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.640 -4.208 2.541 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.187 -4.920 4.046 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.335 -3.317 2.046 1.00 0.00 N ATOM 1993 CA TYR B 62 -22.981 -2.985 0.635 1.00 0.00 C ATOM 1994 C TYR B 62 -22.110 -4.100 0.050 1.00 0.00 C ATOM 1995 O TYR B 62 -22.205 -4.425 -1.116 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.216 -1.649 0.593 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.184 -0.479 0.617 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.211 -0.412 1.583 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.056 0.553 -0.337 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.101 0.679 1.592 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.946 1.642 -0.326 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.969 1.704 0.637 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.844 2.772 0.645 1.00 0.00 O ATOM 0 H TYR B 62 -22.992 -2.659 2.746 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.893 -2.893 0.045 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.538 -1.585 1.444 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.603 -1.603 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.314 -1.198 2.316 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.272 0.506 -1.078 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.886 0.729 2.332 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.844 2.430 -1.057 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.612 3.390 -0.079 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.274 -4.698 0.849 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.416 -5.795 0.335 1.00 0.00 C ATOM 2015 C VAL B 63 -21.319 -6.955 -0.058 1.00 0.00 C ATOM 2016 O VAL B 63 -21.128 -7.597 -1.070 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.445 -6.239 1.432 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.732 -7.526 1.008 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.407 -5.137 1.664 1.00 0.00 C ATOM 0 H VAL B 63 -21.149 -4.473 1.836 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.840 -5.459 -0.527 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.001 -6.424 2.351 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.043 -7.836 1.794 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.469 -8.312 0.841 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.176 -7.348 0.087 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.713 -5.449 2.445 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.857 -4.955 0.741 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.911 -4.221 1.972 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.309 -7.221 0.741 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.238 -8.331 0.429 1.00 0.00 C ATOM 2031 C TYR B 64 -23.978 -8.015 -0.869 1.00 0.00 C ATOM 2032 O TYR B 64 -24.139 -8.855 -1.731 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.247 -8.482 1.570 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.908 -9.841 1.493 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.197 -10.992 1.884 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.235 -9.955 1.032 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.812 -12.257 1.812 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.849 -11.220 0.960 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.137 -12.371 1.351 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.740 -13.610 1.281 1.00 0.00 O ATOM 0 H TYR B 64 -22.514 -6.713 1.601 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.679 -9.260 0.314 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.744 -8.366 2.530 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.000 -7.697 1.508 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.181 -10.905 2.239 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.781 -9.072 0.734 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.267 -13.140 2.111 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.865 -11.308 0.605 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.654 -13.510 0.943 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.429 -6.803 -1.004 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.168 -6.407 -2.235 1.00 0.00 C ATOM 2052 C ASP B 65 -24.253 -6.554 -3.453 1.00 0.00 C ATOM 2053 O ASP B 65 -24.687 -6.908 -4.531 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.616 -4.948 -2.100 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.860 -4.868 -1.211 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.778 -5.638 -1.440 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.872 -4.038 -0.317 1.00 0.00 O ATOM 0 H ASP B 65 -24.318 -6.063 -0.311 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.040 -7.049 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.812 -4.349 -1.671 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.833 -4.532 -3.084 1.00 0.00 H new ATOM 2062 N LEU B 66 -22.992 -6.281 -3.288 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.043 -6.399 -4.430 1.00 0.00 C ATOM 2064 C LEU B 66 -21.807 -7.879 -4.748 1.00 0.00 C ATOM 2065 O LEU B 66 -21.554 -8.250 -5.876 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.719 -5.728 -4.042 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.825 -4.198 -4.220 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.766 -3.501 -3.362 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.594 -3.812 -5.691 1.00 0.00 C ATOM 0 H LEU B 66 -22.574 -5.980 -2.408 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.456 -5.911 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.472 -5.965 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -19.910 -6.118 -4.660 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.823 -3.886 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.845 -2.422 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.924 -3.753 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.774 -3.831 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.672 -2.730 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.601 -4.137 -6.001 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.345 -4.295 -6.316 1.00 0.00 H new ATOM 2081 N GLU B 67 -21.896 -8.724 -3.762 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.686 -10.181 -4.004 1.00 0.00 C ATOM 2083 C GLU B 67 -22.893 -10.741 -4.754 1.00 0.00 C ATOM 2084 O GLU B 67 -22.792 -11.700 -5.494 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.547 -10.902 -2.664 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.246 -10.472 -1.978 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.064 -11.240 -2.575 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -18.892 -12.394 -2.219 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -18.350 -10.661 -3.378 1.00 0.00 O ATOM 0 H GLU B 67 -22.105 -8.471 -2.796 1.00 0.00 H new ATOM 0 HA GLU B 67 -20.782 -10.330 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.400 -10.671 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.548 -11.981 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -20.095 -9.400 -2.104 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.310 -10.661 -0.906 1.00 0.00 H new