USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 GLN : amide:sc=-0.000535 X(o=-0.00054,f=-0.037) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.06) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N PHE A 7 -4.460 -5.326 0.392 1.00 0.00 N ATOM 93 CA PHE A 7 -4.609 -3.955 0.880 1.00 0.00 C ATOM 94 C PHE A 7 -5.712 -3.177 0.135 1.00 0.00 C ATOM 95 O PHE A 7 -5.634 -2.964 -1.078 1.00 0.00 O ATOM 96 CB PHE A 7 -3.245 -3.253 0.808 1.00 0.00 C ATOM 97 CG PHE A 7 -2.348 -3.565 1.994 1.00 0.00 C ATOM 98 CD1 PHE A 7 -2.810 -3.308 3.299 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.063 -4.110 1.809 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.013 -3.628 4.411 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.264 -4.422 2.927 1.00 0.00 C ATOM 102 CZ PHE A 7 -0.740 -4.180 4.226 1.00 0.00 C ATOM 0 HA PHE A 7 -4.939 -3.985 1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.739 -3.550 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.401 -2.176 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.783 -2.862 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.690 -4.289 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.383 -3.448 5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.718 -4.849 2.784 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.125 -4.419 5.081 1.00 0.00 H new ATOM 112 N ARG A 8 -6.752 -2.757 0.871 1.00 0.00 N ATOM 113 CA ARG A 8 -7.906 -1.973 0.385 1.00 0.00 C ATOM 114 C ARG A 8 -7.676 -0.454 0.452 1.00 0.00 C ATOM 115 O ARG A 8 -6.884 0.002 1.277 1.00 0.00 O ATOM 116 CB ARG A 8 -9.143 -2.355 1.222 1.00 0.00 C ATOM 117 CG ARG A 8 -9.960 -3.444 0.518 1.00 0.00 C ATOM 118 CD ARG A 8 -10.996 -4.062 1.471 1.00 0.00 C ATOM 119 NE ARG A 8 -12.389 -3.840 1.036 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.466 -4.408 1.554 1.00 0.00 C ATOM 121 NH1 ARG A 8 -13.390 -5.253 2.544 1.00 0.00 N ATOM 122 NH2 ARG A 8 -14.652 -4.139 1.088 1.00 0.00 N ATOM 0 H ARG A 8 -6.818 -2.962 1.868 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.054 -2.214 -0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.829 -2.708 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.765 -1.474 1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.466 -3.020 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.292 -4.222 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.813 -5.134 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.861 -3.640 2.467 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.535 -3.189 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.482 -5.493 2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.239 -5.674 2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.759 -3.483 0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.474 -4.584 1.497 1.00 0.00 H new ATOM 136 N PRO A 9 -8.392 0.348 -0.359 1.00 0.00 N ATOM 137 CA PRO A 9 -8.250 1.803 -0.368 1.00 0.00 C ATOM 138 C PRO A 9 -8.797 2.430 0.925 1.00 0.00 C ATOM 139 O PRO A 9 -9.873 2.066 1.407 1.00 0.00 O ATOM 140 CB PRO A 9 -9.007 2.277 -1.609 1.00 0.00 C ATOM 141 CG PRO A 9 -10.096 1.220 -1.784 1.00 0.00 C ATOM 142 CD PRO A 9 -9.420 -0.066 -1.306 1.00 0.00 C ATOM 0 HA PRO A 9 -7.205 2.109 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.431 3.271 -1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.355 2.331 -2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.981 1.453 -1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.418 1.143 -2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.141 -0.733 -0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.983 -0.611 -2.143 1.00 0.00 H new ATOM 150 N GLY A 10 -8.038 3.357 1.509 1.00 0.00 N ATOM 151 CA GLY A 10 -8.375 4.071 2.744 1.00 0.00 C ATOM 152 C GLY A 10 -7.995 3.321 4.029 1.00 0.00 C ATOM 153 O GLY A 10 -8.068 3.903 5.112 1.00 0.00 O ATOM 0 H GLY A 10 -7.139 3.643 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.873 5.038 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.447 4.268 2.755 1.00 0.00 H new ATOM 157 N ASP A 11 -7.576 2.053 3.934 1.00 0.00 N ATOM 158 CA ASP A 11 -7.090 1.263 5.071 1.00 0.00 C ATOM 159 C ASP A 11 -5.874 1.939 5.717 1.00 0.00 C ATOM 160 O ASP A 11 -4.907 2.300 5.036 1.00 0.00 O ATOM 161 CB ASP A 11 -6.716 -0.170 4.646 1.00 0.00 C ATOM 162 CG ASP A 11 -7.900 -1.155 4.598 1.00 0.00 C ATOM 163 OD1 ASP A 11 -9.077 -0.731 4.523 1.00 0.00 O ATOM 164 OD2 ASP A 11 -7.641 -2.380 4.667 1.00 0.00 O ATOM 0 H ASP A 11 -7.565 1.540 3.052 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.902 1.206 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.251 -0.133 3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.967 -0.556 5.337 1.00 0.00 H new ATOM 169 N LYS A 12 -5.928 2.107 7.043 1.00 0.00 N ATOM 170 CA LYS A 12 -4.829 2.632 7.858 1.00 0.00 C ATOM 171 C LYS A 12 -3.683 1.621 7.881 1.00 0.00 C ATOM 172 O LYS A 12 -3.802 0.541 8.467 1.00 0.00 O ATOM 173 CB LYS A 12 -5.337 2.969 9.274 1.00 0.00 C ATOM 174 CG LYS A 12 -5.520 4.477 9.464 1.00 0.00 C ATOM 175 CD LYS A 12 -5.989 4.805 10.892 1.00 0.00 C ATOM 176 CE LYS A 12 -5.808 6.302 11.179 1.00 0.00 C ATOM 177 NZ LYS A 12 -4.486 6.596 11.798 1.00 0.00 N ATOM 0 H LYS A 12 -6.757 1.876 7.591 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.449 3.556 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.285 2.462 9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.631 2.592 10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.579 4.989 9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.248 4.851 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.037 4.529 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.421 4.218 11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.906 6.864 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.603 6.642 11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.405 7.618 11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.402 6.081 12.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.727 6.295 11.154 1.00 0.00 H new ATOM 191 N VAL A 13 -2.571 1.960 7.234 1.00 0.00 N ATOM 192 CA VAL A 13 -1.365 1.123 7.156 1.00 0.00 C ATOM 193 C VAL A 13 -0.125 1.897 7.615 1.00 0.00 C ATOM 194 O VAL A 13 -0.097 3.127 7.557 1.00 0.00 O ATOM 195 CB VAL A 13 -1.191 0.530 5.749 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.371 -0.357 5.338 1.00 0.00 C ATOM 197 CG2 VAL A 13 -0.963 1.557 4.631 1.00 0.00 C ATOM 0 H VAL A 13 -2.476 2.845 6.736 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.489 0.285 7.841 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.280 -0.060 5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.199 -0.751 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.467 -1.184 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.288 0.232 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.852 1.039 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.816 2.234 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.059 2.128 4.841 1.00 0.00 H new ATOM 207 N VAL A 14 0.909 1.197 8.083 1.00 0.00 N ATOM 208 CA VAL A 14 2.203 1.794 8.459 1.00 0.00 C ATOM 209 C VAL A 14 3.194 1.663 7.305 1.00 0.00 C ATOM 210 O VAL A 14 3.396 0.580 6.753 1.00 0.00 O ATOM 211 CB VAL A 14 2.769 1.223 9.778 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.714 -0.300 9.850 1.00 0.00 C ATOM 213 CG2 VAL A 14 4.220 1.654 10.048 1.00 0.00 C ATOM 0 H VAL A 14 0.877 0.186 8.215 1.00 0.00 H new ATOM 0 HA VAL A 14 2.034 2.853 8.652 1.00 0.00 H new ATOM 0 HB VAL A 14 2.114 1.644 10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.127 -0.634 10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.679 -0.631 9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.297 -0.724 9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.559 1.220 10.989 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.860 1.307 9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.271 2.741 10.110 1.00 0.00 H new ATOM 223 N LEU A 15 3.818 2.786 6.944 1.00 0.00 N ATOM 224 CA LEU A 15 4.870 2.849 5.937 1.00 0.00 C ATOM 225 C LEU A 15 5.933 3.891 6.342 1.00 0.00 C ATOM 226 O LEU A 15 5.684 5.092 6.217 1.00 0.00 O ATOM 227 CB LEU A 15 4.222 3.123 4.571 1.00 0.00 C ATOM 228 CG LEU A 15 5.183 3.097 3.367 1.00 0.00 C ATOM 229 CD1 LEU A 15 6.169 1.928 3.394 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.367 2.948 2.084 1.00 0.00 C ATOM 0 H LEU A 15 3.599 3.694 7.354 1.00 0.00 H new ATOM 0 HA LEU A 15 5.402 1.900 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.438 2.384 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.738 4.099 4.607 1.00 0.00 H new ATOM 0 HG LEU A 15 5.748 4.028 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.813 1.975 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.779 1.987 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.618 0.987 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.039 2.929 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.798 2.019 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.681 3.790 1.989 1.00 0.00 H new ATOM 242 N PRO A 16 7.084 3.478 6.904 1.00 0.00 N ATOM 243 CA PRO A 16 8.158 4.401 7.273 1.00 0.00 C ATOM 244 C PRO A 16 8.862 5.020 6.038 1.00 0.00 C ATOM 245 O PRO A 16 8.761 4.472 4.935 1.00 0.00 O ATOM 246 CB PRO A 16 9.108 3.574 8.148 1.00 0.00 C ATOM 247 CG PRO A 16 8.896 2.139 7.672 1.00 0.00 C ATOM 248 CD PRO A 16 7.422 2.112 7.281 1.00 0.00 C ATOM 0 HA PRO A 16 7.776 5.268 7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.144 3.888 8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.871 3.682 9.206 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.541 1.896 6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.117 1.418 8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.250 1.424 6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.804 1.772 8.112 1.00 0.00 H new ATOM 256 N PRO A 17 9.590 6.146 6.201 1.00 0.00 N ATOM 257 CA PRO A 17 9.806 6.886 7.453 1.00 0.00 C ATOM 258 C PRO A 17 8.596 7.724 7.916 1.00 0.00 C ATOM 259 O PRO A 17 8.597 8.219 9.044 1.00 0.00 O ATOM 260 CB PRO A 17 11.022 7.776 7.171 1.00 0.00 C ATOM 261 CG PRO A 17 10.886 8.087 5.684 1.00 0.00 C ATOM 262 CD PRO A 17 10.332 6.781 5.116 1.00 0.00 C ATOM 0 HA PRO A 17 9.961 6.190 8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.007 8.683 7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.958 7.262 7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.211 8.924 5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.845 8.349 5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.683 6.973 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.138 6.136 4.766 1.00 0.00 H new ATOM 270 N TYR A 18 7.546 7.851 7.092 1.00 0.00 N ATOM 271 CA TYR A 18 6.295 8.557 7.413 1.00 0.00 C ATOM 272 C TYR A 18 5.606 7.991 8.669 1.00 0.00 C ATOM 273 O TYR A 18 5.132 8.739 9.526 1.00 0.00 O ATOM 274 CB TYR A 18 5.335 8.492 6.208 1.00 0.00 C ATOM 275 CG TYR A 18 5.990 8.712 4.856 1.00 0.00 C ATOM 276 CD1 TYR A 18 6.480 9.990 4.520 1.00 0.00 C ATOM 277 CD2 TYR A 18 6.131 7.641 3.946 1.00 0.00 C ATOM 278 CE1 TYR A 18 7.106 10.202 3.277 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.748 7.854 2.696 1.00 0.00 C ATOM 280 CZ TYR A 18 7.238 9.134 2.361 1.00 0.00 C ATOM 281 OH TYR A 18 7.841 9.333 1.157 1.00 0.00 O ATOM 0 H TYR A 18 7.543 7.453 6.153 1.00 0.00 H new ATOM 0 HA TYR A 18 6.552 9.594 7.628 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.846 7.518 6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.554 9.241 6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.375 10.808 5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.766 6.659 4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.485 11.181 3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.845 7.038 1.995 1.00 0.00 H new ATOM 0 HH TYR A 18 7.848 8.493 0.652 1.00 0.00 H new ATOM 291 N GLY A 19 5.558 6.659 8.774 1.00 0.00 N ATOM 292 CA GLY A 19 5.039 5.893 9.915 1.00 0.00 C ATOM 293 C GLY A 19 3.550 5.549 9.801 1.00 0.00 C ATOM 294 O GLY A 19 3.087 4.595 10.423 1.00 0.00 O ATOM 0 H GLY A 19 5.898 6.053 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.610 4.969 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.202 6.464 10.829 1.00 0.00 H new ATOM 298 N VAL A 20 2.789 6.309 9.010 1.00 0.00 N ATOM 299 CA VAL A 20 1.371 6.078 8.692 1.00 0.00 C ATOM 300 C VAL A 20 1.101 6.517 7.251 1.00 0.00 C ATOM 301 O VAL A 20 1.635 7.535 6.805 1.00 0.00 O ATOM 302 CB VAL A 20 0.434 6.861 9.646 1.00 0.00 C ATOM 303 CG1 VAL A 20 -1.042 6.517 9.389 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.706 6.589 11.131 1.00 0.00 C ATOM 0 H VAL A 20 3.158 7.142 8.551 1.00 0.00 H new ATOM 0 HA VAL A 20 1.166 5.014 8.815 1.00 0.00 H new ATOM 0 HB VAL A 20 0.640 7.910 9.432 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.672 7.083 10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.302 6.773 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.200 5.450 9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.014 7.170 11.740 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.568 5.528 11.338 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.730 6.876 11.372 1.00 0.00 H new ATOM 314 N GLY A 21 0.252 5.783 6.538 1.00 0.00 N ATOM 315 CA GLY A 21 -0.220 6.086 5.186 1.00 0.00 C ATOM 316 C GLY A 21 -1.579 5.442 4.905 1.00 0.00 C ATOM 317 O GLY A 21 -2.067 4.620 5.687 1.00 0.00 O ATOM 0 H GLY A 21 -0.146 4.918 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.296 7.166 5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.509 5.731 4.458 1.00 0.00 H new ATOM 321 N VAL A 22 -2.192 5.809 3.777 1.00 0.00 N ATOM 322 CA VAL A 22 -3.446 5.226 3.288 1.00 0.00 C ATOM 323 C VAL A 22 -3.302 4.845 1.818 1.00 0.00 C ATOM 324 O VAL A 22 -2.716 5.573 1.013 1.00 0.00 O ATOM 325 CB VAL A 22 -4.665 6.142 3.507 1.00 0.00 C ATOM 326 CG1 VAL A 22 -4.906 6.416 4.997 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.600 7.482 2.765 1.00 0.00 C ATOM 0 H VAL A 22 -1.823 6.536 3.164 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.637 4.329 3.878 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.496 5.579 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.774 7.065 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.086 5.474 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.029 6.903 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.499 8.060 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.724 8.039 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.531 7.301 1.692 1.00 0.00 H new ATOM 337 N VAL A 23 -3.818 3.672 1.464 1.00 0.00 N ATOM 338 CA VAL A 23 -3.813 3.163 0.087 1.00 0.00 C ATOM 339 C VAL A 23 -4.886 3.891 -0.737 1.00 0.00 C ATOM 340 O VAL A 23 -5.964 4.187 -0.223 1.00 0.00 O ATOM 341 CB VAL A 23 -4.050 1.641 0.104 1.00 0.00 C ATOM 342 CG1 VAL A 23 -3.959 1.040 -1.304 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.041 0.926 1.018 1.00 0.00 C ATOM 0 H VAL A 23 -4.258 3.037 2.130 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.846 3.352 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.057 1.489 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.132 -0.035 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.713 1.498 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.968 1.229 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.236 -0.146 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.029 1.114 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.142 1.303 2.036 1.00 0.00 H new ATOM 353 N ALA A 24 -4.620 4.165 -2.013 1.00 0.00 N ATOM 354 CA ALA A 24 -5.526 4.852 -2.939 1.00 0.00 C ATOM 355 C ALA A 24 -6.125 3.905 -3.997 1.00 0.00 C ATOM 356 O ALA A 24 -7.325 3.965 -4.276 1.00 0.00 O ATOM 357 CB ALA A 24 -4.755 6.002 -3.596 1.00 0.00 C ATOM 0 H ALA A 24 -3.735 3.906 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.376 5.238 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.409 6.529 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.409 6.694 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.898 5.603 -4.138 1.00 0.00 H new ATOM 363 N GLY A 25 -5.305 3.022 -4.576 1.00 0.00 N ATOM 364 CA GLY A 25 -5.722 2.034 -5.575 1.00 0.00 C ATOM 365 C GLY A 25 -4.554 1.277 -6.211 1.00 0.00 C ATOM 366 O GLY A 25 -3.384 1.559 -5.936 1.00 0.00 O ATOM 0 H GLY A 25 -4.310 2.974 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.396 1.318 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.287 2.538 -6.359 1.00 0.00 H new ATOM 370 N ILE A 26 -4.889 0.302 -7.058 1.00 0.00 N ATOM 371 CA ILE A 26 -3.945 -0.536 -7.803 1.00 0.00 C ATOM 372 C ILE A 26 -3.554 0.174 -9.105 1.00 0.00 C ATOM 373 O ILE A 26 -4.338 0.229 -10.058 1.00 0.00 O ATOM 374 CB ILE A 26 -4.519 -1.951 -8.078 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.726 -2.791 -6.798 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.527 -2.715 -8.972 1.00 0.00 C ATOM 377 CD1 ILE A 26 -5.951 -2.415 -5.957 1.00 0.00 C ATOM 0 H ILE A 26 -5.862 0.065 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.053 -0.680 -7.194 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.492 -1.809 -8.547 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.809 -3.840 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.836 -2.699 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.915 -3.713 -9.176 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.396 -2.178 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.566 -2.796 -8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.005 -3.063 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.866 -1.377 -5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.854 -2.537 -6.555 1.00 0.00 H new ATOM 389 N ALA A 27 -2.342 0.722 -9.144 1.00 0.00 N ATOM 390 CA ALA A 27 -1.760 1.346 -10.331 1.00 0.00 C ATOM 391 C ALA A 27 -0.786 0.366 -11.013 1.00 0.00 C ATOM 392 O ALA A 27 0.235 -0.012 -10.436 1.00 0.00 O ATOM 393 CB ALA A 27 -1.061 2.640 -9.895 1.00 0.00 C ATOM 0 H ALA A 27 -1.723 0.745 -8.334 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.531 1.591 -11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.618 3.125 -10.765 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.789 3.310 -9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.279 2.406 -9.173 1.00 0.00 H new ATOM 399 N GLN A 28 -1.085 -0.066 -12.241 1.00 0.00 N ATOM 400 CA GLN A 28 -0.183 -0.913 -13.028 1.00 0.00 C ATOM 401 C GLN A 28 0.931 -0.092 -13.705 1.00 0.00 C ATOM 402 O GLN A 28 0.658 0.722 -14.594 1.00 0.00 O ATOM 403 CB GLN A 28 -0.960 -1.757 -14.052 1.00 0.00 C ATOM 404 CG GLN A 28 -2.021 -2.656 -13.386 1.00 0.00 C ATOM 405 CD GLN A 28 -2.239 -3.965 -14.141 1.00 0.00 C ATOM 406 OE1 GLN A 28 -3.235 -4.172 -14.823 1.00 0.00 O ATOM 407 NE2 GLN A 28 -1.320 -4.905 -14.044 1.00 0.00 N ATOM 0 H GLN A 28 -1.958 0.161 -12.718 1.00 0.00 H new ATOM 0 HA GLN A 28 0.302 -1.599 -12.334 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.446 -1.096 -14.770 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.261 -2.378 -14.613 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.714 -2.877 -12.364 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.965 -2.114 -13.326 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.485 -4.746 -13.479 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.443 -5.791 -14.534 1.00 0.00 H new ATOM 416 N ARG A 29 2.186 -0.290 -13.278 1.00 0.00 N ATOM 417 CA ARG A 29 3.391 0.323 -13.876 1.00 0.00 C ATOM 418 C ARG A 29 3.882 -0.468 -15.094 1.00 0.00 C ATOM 419 O ARG A 29 3.396 -1.562 -15.363 1.00 0.00 O ATOM 420 CB ARG A 29 4.515 0.444 -12.827 1.00 0.00 C ATOM 421 CG ARG A 29 4.192 1.521 -11.784 1.00 0.00 C ATOM 422 CD ARG A 29 5.458 2.174 -11.193 1.00 0.00 C ATOM 423 NE ARG A 29 5.357 3.650 -11.183 1.00 0.00 N ATOM 424 CZ ARG A 29 5.405 4.469 -12.223 1.00 0.00 C ATOM 425 NH1 ARG A 29 5.614 4.039 -13.437 1.00 0.00 N ATOM 426 NH2 ARG A 29 5.237 5.749 -12.071 1.00 0.00 N ATOM 0 H ARG A 29 2.402 -0.896 -12.487 1.00 0.00 H new ATOM 0 HA ARG A 29 3.117 1.322 -14.216 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.656 -0.516 -12.330 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.454 0.686 -13.324 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.571 2.291 -12.242 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.607 1.077 -10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.613 1.813 -10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.329 1.872 -11.775 1.00 0.00 H new ATOM 0 HE ARG A 29 5.236 4.088 -10.270 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.747 3.042 -13.609 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.644 4.699 -14.214 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.066 6.134 -11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.276 6.368 -12.881 1.00 0.00 H new ATOM 440 N SER A 30 4.883 0.071 -15.787 1.00 0.00 N ATOM 441 CA SER A 30 5.587 -0.519 -16.934 1.00 0.00 C ATOM 442 C SER A 30 7.069 -0.727 -16.589 1.00 0.00 C ATOM 443 O SER A 30 7.797 0.236 -16.327 1.00 0.00 O ATOM 444 CB SER A 30 5.410 0.398 -18.153 1.00 0.00 C ATOM 445 OG SER A 30 6.275 0.044 -19.223 1.00 0.00 O ATOM 0 H SER A 30 5.251 0.992 -15.550 1.00 0.00 H new ATOM 0 HA SER A 30 5.167 -1.496 -17.173 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.376 0.350 -18.494 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.602 1.430 -17.860 1.00 0.00 H new ATOM 0 HG SER A 30 6.128 0.652 -19.977 1.00 0.00 H new ATOM 451 N VAL A 31 7.512 -1.990 -16.545 1.00 0.00 N ATOM 452 CA VAL A 31 8.912 -2.391 -16.308 1.00 0.00 C ATOM 453 C VAL A 31 9.243 -3.686 -17.056 1.00 0.00 C ATOM 454 O VAL A 31 8.475 -4.644 -17.016 1.00 0.00 O ATOM 455 CB VAL A 31 9.195 -2.501 -14.792 1.00 0.00 C ATOM 456 CG1 VAL A 31 8.381 -3.577 -14.060 1.00 0.00 C ATOM 457 CG2 VAL A 31 10.686 -2.726 -14.516 1.00 0.00 C ATOM 0 H VAL A 31 6.890 -2.788 -16.677 1.00 0.00 H new ATOM 0 HA VAL A 31 9.571 -1.619 -16.705 1.00 0.00 H new ATOM 0 HB VAL A 31 8.874 -1.539 -14.391 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.648 -3.579 -13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.317 -3.363 -14.165 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.599 -4.554 -14.491 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.850 -2.799 -13.441 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.009 -3.650 -14.996 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.260 -1.890 -14.915 1.00 0.00 H new ATOM 467 N SER A 32 10.371 -3.728 -17.774 1.00 0.00 N ATOM 468 CA SER A 32 10.831 -4.894 -18.560 1.00 0.00 C ATOM 469 C SER A 32 9.805 -5.414 -19.598 1.00 0.00 C ATOM 470 O SER A 32 9.804 -6.590 -19.970 1.00 0.00 O ATOM 471 CB SER A 32 11.299 -5.991 -17.585 1.00 0.00 C ATOM 472 OG SER A 32 12.347 -6.768 -18.146 1.00 0.00 O ATOM 0 H SER A 32 11.010 -2.935 -17.830 1.00 0.00 H new ATOM 0 HA SER A 32 11.668 -4.569 -19.178 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.640 -5.534 -16.656 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.459 -6.638 -17.332 1.00 0.00 H new ATOM 0 HG SER A 32 12.625 -7.455 -17.504 1.00 0.00 H new ATOM 478 N GLY A 33 8.901 -4.542 -20.068 1.00 0.00 N ATOM 479 CA GLY A 33 7.775 -4.889 -20.951 1.00 0.00 C ATOM 480 C GLY A 33 6.629 -5.657 -20.270 1.00 0.00 C ATOM 481 O GLY A 33 5.753 -6.187 -20.958 1.00 0.00 O ATOM 0 H GLY A 33 8.933 -3.549 -19.839 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.373 -3.971 -21.380 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.153 -5.489 -21.779 1.00 0.00 H new ATOM 485 N VAL A 34 6.621 -5.725 -18.934 1.00 0.00 N ATOM 486 CA VAL A 34 5.661 -6.462 -18.096 1.00 0.00 C ATOM 487 C VAL A 34 4.900 -5.491 -17.192 1.00 0.00 C ATOM 488 O VAL A 34 5.489 -4.845 -16.322 1.00 0.00 O ATOM 489 CB VAL A 34 6.370 -7.553 -17.260 1.00 0.00 C ATOM 490 CG1 VAL A 34 5.355 -8.373 -16.451 1.00 0.00 C ATOM 491 CG2 VAL A 34 7.186 -8.503 -18.153 1.00 0.00 C ATOM 0 H VAL A 34 7.323 -5.241 -18.374 1.00 0.00 H new ATOM 0 HA VAL A 34 4.948 -6.963 -18.751 1.00 0.00 H new ATOM 0 HB VAL A 34 7.047 -7.040 -16.577 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.880 -9.133 -15.872 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.811 -7.714 -15.775 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.653 -8.855 -17.131 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.671 -9.257 -17.534 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.522 -8.991 -18.867 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.943 -7.934 -18.692 1.00 0.00 H new ATOM 501 N SER A 35 3.589 -5.359 -17.399 1.00 0.00 N ATOM 502 CA SER A 35 2.740 -4.541 -16.526 1.00 0.00 C ATOM 503 C SER A 35 2.581 -5.199 -15.152 1.00 0.00 C ATOM 504 O SER A 35 2.057 -6.313 -15.057 1.00 0.00 O ATOM 505 CB SER A 35 1.361 -4.288 -17.145 1.00 0.00 C ATOM 506 OG SER A 35 1.484 -3.437 -18.274 1.00 0.00 O ATOM 0 H SER A 35 3.089 -5.809 -18.166 1.00 0.00 H new ATOM 0 HA SER A 35 3.237 -3.578 -16.407 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.907 -5.234 -17.440 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.700 -3.833 -16.407 1.00 0.00 H new ATOM 0 HG SER A 35 0.599 -3.282 -18.665 1.00 0.00 H new ATOM 512 N ARG A 36 3.005 -4.516 -14.078 1.00 0.00 N ATOM 513 CA ARG A 36 2.894 -4.994 -12.684 1.00 0.00 C ATOM 514 C ARG A 36 2.062 -4.036 -11.852 1.00 0.00 C ATOM 515 O ARG A 36 2.253 -2.824 -11.922 1.00 0.00 O ATOM 516 CB ARG A 36 4.275 -5.172 -12.029 1.00 0.00 C ATOM 517 CG ARG A 36 5.249 -5.966 -12.899 1.00 0.00 C ATOM 518 CD ARG A 36 6.493 -6.410 -12.118 1.00 0.00 C ATOM 519 NE ARG A 36 6.956 -7.738 -12.568 1.00 0.00 N ATOM 520 CZ ARG A 36 7.773 -8.558 -11.932 1.00 0.00 C ATOM 521 NH1 ARG A 36 8.389 -8.211 -10.836 1.00 0.00 N ATOM 522 NH2 ARG A 36 7.991 -9.758 -12.388 1.00 0.00 N ATOM 0 H ARG A 36 3.444 -3.598 -14.151 1.00 0.00 H new ATOM 0 HA ARG A 36 2.402 -5.966 -12.720 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.701 -4.191 -11.819 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.155 -5.679 -11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.742 -6.843 -13.301 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.554 -5.356 -13.749 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.290 -5.679 -12.251 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.265 -6.442 -11.053 1.00 0.00 H new ATOM 0 HE ARG A 36 6.606 -8.058 -13.471 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.247 -7.280 -10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.013 -8.870 -10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.529 -10.071 -13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.623 -10.385 -11.891 1.00 0.00 H new ATOM 536 N ALA A 37 1.138 -4.579 -11.070 1.00 0.00 N ATOM 537 CA ALA A 37 0.302 -3.823 -10.149 1.00 0.00 C ATOM 538 C ALA A 37 1.083 -3.365 -8.904 1.00 0.00 C ATOM 539 O ALA A 37 1.880 -4.115 -8.332 1.00 0.00 O ATOM 540 CB ALA A 37 -0.901 -4.702 -9.799 1.00 0.00 C ATOM 0 H ALA A 37 0.945 -5.581 -11.059 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.041 -2.901 -10.618 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.553 -4.168 -9.108 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.453 -4.941 -10.708 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.554 -5.624 -9.332 1.00 0.00 H new ATOM 546 N TYR A 38 0.805 -2.135 -8.471 1.00 0.00 N ATOM 547 CA TYR A 38 1.402 -1.488 -7.309 1.00 0.00 C ATOM 548 C TYR A 38 0.362 -0.652 -6.545 1.00 0.00 C ATOM 549 O TYR A 38 -0.338 0.169 -7.139 1.00 0.00 O ATOM 550 CB TYR A 38 2.558 -0.600 -7.784 1.00 0.00 C ATOM 551 CG TYR A 38 3.813 -1.346 -8.211 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.708 -1.803 -7.227 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.106 -1.577 -9.571 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.869 -2.515 -7.581 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.289 -2.251 -9.933 1.00 0.00 C ATOM 556 CZ TYR A 38 6.158 -2.750 -8.941 1.00 0.00 C ATOM 557 OH TYR A 38 7.261 -3.460 -9.303 1.00 0.00 O ATOM 0 H TYR A 38 0.127 -1.538 -8.944 1.00 0.00 H new ATOM 0 HA TYR A 38 1.774 -2.250 -6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.211 0.004 -8.622 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.820 0.089 -6.981 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.501 -1.605 -6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.423 -1.237 -10.335 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.536 -2.880 -6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.532 -2.386 -10.977 1.00 0.00 H new ATOM 0 HH TYR A 38 7.302 -3.525 -10.280 1.00 0.00 H new ATOM 567 N TYR A 39 0.240 -0.852 -5.229 1.00 0.00 N ATOM 568 CA TYR A 39 -0.640 -0.046 -4.373 1.00 0.00 C ATOM 569 C TYR A 39 -0.080 1.371 -4.197 1.00 0.00 C ATOM 570 O TYR A 39 1.011 1.530 -3.651 1.00 0.00 O ATOM 571 CB TYR A 39 -0.812 -0.693 -2.990 1.00 0.00 C ATOM 572 CG TYR A 39 -1.245 -2.144 -2.986 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.343 -2.557 -3.762 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.544 -3.079 -2.201 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.710 -3.916 -3.794 1.00 0.00 C ATOM 576 CE2 TYR A 39 -0.916 -4.435 -2.222 1.00 0.00 C ATOM 577 CZ TYR A 39 -1.991 -4.860 -3.031 1.00 0.00 C ATOM 578 OH TYR A 39 -2.305 -6.180 -3.114 1.00 0.00 O ATOM 0 H TYR A 39 0.749 -1.578 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.611 0.006 -4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.134 -0.615 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.545 -0.114 -2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.904 -1.832 -4.333 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.280 -2.755 -1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.543 -4.236 -4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.379 -5.151 -1.619 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.714 -6.695 -2.526 1.00 0.00 H new ATOM 588 N GLN A 40 -0.803 2.390 -4.667 1.00 0.00 N ATOM 589 CA GLN A 40 -0.459 3.805 -4.484 1.00 0.00 C ATOM 590 C GLN A 40 -0.766 4.230 -3.037 1.00 0.00 C ATOM 591 O GLN A 40 -1.928 4.430 -2.688 1.00 0.00 O ATOM 592 CB GLN A 40 -1.235 4.646 -5.518 1.00 0.00 C ATOM 593 CG GLN A 40 -1.057 6.165 -5.341 1.00 0.00 C ATOM 594 CD GLN A 40 -1.655 6.940 -6.515 1.00 0.00 C ATOM 595 OE1 GLN A 40 -1.118 6.966 -7.614 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.767 7.623 -6.337 1.00 0.00 N ATOM 0 H GLN A 40 -1.663 2.253 -5.197 1.00 0.00 H new ATOM 0 HA GLN A 40 0.606 3.967 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.909 4.365 -6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.295 4.403 -5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.534 6.483 -4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.004 6.400 -5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.231 7.615 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.164 8.160 -7.108 1.00 0.00 H new ATOM 605 N VAL A 41 0.249 4.345 -2.180 1.00 0.00 N ATOM 606 CA VAL A 41 0.121 4.842 -0.798 1.00 0.00 C ATOM 607 C VAL A 41 0.359 6.350 -0.777 1.00 0.00 C ATOM 608 O VAL A 41 1.477 6.792 -1.028 1.00 0.00 O ATOM 609 CB VAL A 41 1.094 4.147 0.174 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.675 4.440 1.623 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.128 2.630 -0.026 1.00 0.00 C ATOM 0 H VAL A 41 1.206 4.091 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.889 4.611 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 41 2.089 4.541 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.365 3.947 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.697 5.516 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.334 4.065 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.828 2.185 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.133 2.219 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.448 2.404 -1.043 1.00 0.00 H new ATOM 621 N ASP A 42 -0.683 7.141 -0.527 1.00 0.00 N ATOM 622 CA ASP A 42 -0.625 8.607 -0.444 1.00 0.00 C ATOM 623 C ASP A 42 -0.597 9.053 1.034 1.00 0.00 C ATOM 624 O ASP A 42 -1.380 8.559 1.853 1.00 0.00 O ATOM 625 CB ASP A 42 -1.834 9.185 -1.207 1.00 0.00 C ATOM 626 CG ASP A 42 -1.624 10.629 -1.699 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.128 11.478 -0.926 1.00 0.00 O ATOM 628 OD2 ASP A 42 -1.988 10.922 -2.864 1.00 0.00 O ATOM 0 H ASP A 42 -1.621 6.772 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 42 0.288 8.985 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.050 8.547 -2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.709 9.155 -0.558 1.00 0.00 H new ATOM 633 N PHE A 43 0.316 9.959 1.395 1.00 0.00 N ATOM 634 CA PHE A 43 0.532 10.418 2.778 1.00 0.00 C ATOM 635 C PHE A 43 0.076 11.878 2.969 1.00 0.00 C ATOM 636 O PHE A 43 0.270 12.695 2.063 1.00 0.00 O ATOM 637 CB PHE A 43 2.016 10.278 3.156 1.00 0.00 C ATOM 638 CG PHE A 43 2.663 8.992 2.684 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.536 7.809 3.431 1.00 0.00 C ATOM 640 CD2 PHE A 43 3.343 8.970 1.454 1.00 0.00 C ATOM 641 CE1 PHE A 43 3.089 6.615 2.952 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.906 7.778 0.974 1.00 0.00 C ATOM 643 CZ PHE A 43 3.779 6.600 1.728 1.00 0.00 C ATOM 0 H PHE A 43 0.940 10.406 0.723 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.071 9.790 3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.566 11.122 2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.110 10.341 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.012 7.820 4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.433 9.877 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.985 5.705 3.524 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.433 7.766 0.032 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.213 5.680 1.366 1.00 0.00 H new ATOM 653 N PRO A 44 -0.480 12.253 4.138 1.00 0.00 N ATOM 654 CA PRO A 44 -0.904 13.630 4.400 1.00 0.00 C ATOM 655 C PRO A 44 0.286 14.604 4.504 1.00 0.00 C ATOM 656 O PRO A 44 1.434 14.206 4.721 1.00 0.00 O ATOM 657 CB PRO A 44 -1.715 13.557 5.698 1.00 0.00 C ATOM 658 CG PRO A 44 -1.107 12.362 6.430 1.00 0.00 C ATOM 659 CD PRO A 44 -0.749 11.407 5.293 1.00 0.00 C ATOM 0 HA PRO A 44 -1.499 14.028 3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.624 14.474 6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.777 13.409 5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.228 12.648 7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.815 11.913 7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.122 10.804 5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.567 10.716 5.090 1.00 0.00 H new ATOM 667 N GLY A 45 0.004 15.901 4.353 1.00 0.00 N ATOM 668 CA GLY A 45 0.980 17.002 4.398 1.00 0.00 C ATOM 669 C GLY A 45 1.718 17.285 3.079 1.00 0.00 C ATOM 670 O GLY A 45 2.249 18.386 2.905 1.00 0.00 O ATOM 0 H GLY A 45 -0.948 16.230 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.463 17.910 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.719 16.778 5.167 1.00 0.00 H new ATOM 674 N SER A 46 1.731 16.331 2.141 1.00 0.00 N ATOM 675 CA SER A 46 2.408 16.417 0.832 1.00 0.00 C ATOM 676 C SER A 46 1.660 15.601 -0.240 1.00 0.00 C ATOM 677 O SER A 46 0.567 15.087 0.011 1.00 0.00 O ATOM 678 CB SER A 46 3.883 15.949 0.918 1.00 0.00 C ATOM 679 OG SER A 46 4.466 16.057 2.211 1.00 0.00 O ATOM 0 H SER A 46 1.252 15.440 2.274 1.00 0.00 H new ATOM 0 HA SER A 46 2.399 17.467 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.940 14.910 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.477 16.534 0.216 1.00 0.00 H new ATOM 0 HG SER A 46 5.393 15.741 2.179 1.00 0.00 H new ATOM 685 N ARG A 47 2.240 15.473 -1.445 1.00 0.00 N ATOM 686 CA ARG A 47 1.726 14.645 -2.558 1.00 0.00 C ATOM 687 C ARG A 47 2.589 13.400 -2.827 1.00 0.00 C ATOM 688 O ARG A 47 2.437 12.751 -3.863 1.00 0.00 O ATOM 689 CB ARG A 47 1.517 15.523 -3.807 1.00 0.00 C ATOM 690 CG ARG A 47 0.281 15.075 -4.606 1.00 0.00 C ATOM 691 CD ARG A 47 -0.004 16.014 -5.789 1.00 0.00 C ATOM 692 NE ARG A 47 -1.112 16.951 -5.506 1.00 0.00 N ATOM 693 CZ ARG A 47 -2.410 16.694 -5.546 1.00 0.00 C ATOM 694 NH1 ARG A 47 -2.876 15.512 -5.839 1.00 0.00 N ATOM 695 NH2 ARG A 47 -3.279 17.629 -5.287 1.00 0.00 N ATOM 0 H ARG A 47 3.106 15.956 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 47 0.756 14.243 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.400 16.564 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.401 15.472 -4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.435 14.061 -4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.587 15.046 -3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.897 16.580 -6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.248 15.421 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.846 17.902 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.233 14.748 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.883 15.352 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.961 18.569 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.277 17.421 -5.320 1.00 0.00 H new ATOM 709 N SER A 48 3.505 13.074 -1.908 1.00 0.00 N ATOM 710 CA SER A 48 4.335 11.864 -1.955 1.00 0.00 C ATOM 711 C SER A 48 3.461 10.621 -2.090 1.00 0.00 C ATOM 712 O SER A 48 2.480 10.449 -1.360 1.00 0.00 O ATOM 713 CB SER A 48 5.219 11.728 -0.706 1.00 0.00 C ATOM 714 OG SER A 48 6.435 12.427 -0.907 1.00 0.00 O ATOM 0 H SER A 48 3.694 13.657 -1.093 1.00 0.00 H new ATOM 0 HA SER A 48 4.983 11.955 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.699 12.126 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.421 10.676 -0.504 1.00 0.00 H new ATOM 0 HG SER A 48 6.997 12.341 -0.109 1.00 0.00 H new ATOM 720 N LYS A 49 3.844 9.750 -3.025 1.00 0.00 N ATOM 721 CA LYS A 49 3.225 8.447 -3.262 1.00 0.00 C ATOM 722 C LYS A 49 4.296 7.364 -3.193 1.00 0.00 C ATOM 723 O LYS A 49 5.399 7.549 -3.711 1.00 0.00 O ATOM 724 CB LYS A 49 2.510 8.461 -4.627 1.00 0.00 C ATOM 725 CG LYS A 49 1.226 9.309 -4.583 1.00 0.00 C ATOM 726 CD LYS A 49 0.635 9.607 -5.968 1.00 0.00 C ATOM 727 CE LYS A 49 1.438 10.675 -6.727 1.00 0.00 C ATOM 728 NZ LYS A 49 0.576 11.437 -7.670 1.00 0.00 N ATOM 0 H LYS A 49 4.620 9.940 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 49 2.479 8.233 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.183 8.857 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.263 7.441 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.479 8.790 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.441 10.251 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.610 8.689 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.396 9.942 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.896 11.362 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.249 10.199 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.149 12.149 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.159 10.784 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.183 11.911 -7.141 1.00 0.00 H new ATOM 742 N ALA A 50 3.955 6.225 -2.602 1.00 0.00 N ATOM 743 CA ALA A 50 4.810 5.043 -2.534 1.00 0.00 C ATOM 744 C ALA A 50 4.094 3.874 -3.212 1.00 0.00 C ATOM 745 O ALA A 50 2.914 3.643 -2.953 1.00 0.00 O ATOM 746 CB ALA A 50 5.164 4.733 -1.079 1.00 0.00 C ATOM 0 H ALA A 50 3.053 6.093 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 50 5.747 5.223 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.802 3.850 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.692 5.582 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.251 4.546 -0.514 1.00 0.00 H new ATOM 752 N TYR A 51 4.785 3.171 -4.105 1.00 0.00 N ATOM 753 CA TYR A 51 4.228 2.096 -4.927 1.00 0.00 C ATOM 754 C TYR A 51 4.642 0.730 -4.367 1.00 0.00 C ATOM 755 O TYR A 51 5.790 0.305 -4.517 1.00 0.00 O ATOM 756 CB TYR A 51 4.691 2.284 -6.384 1.00 0.00 C ATOM 757 CG TYR A 51 3.790 3.145 -7.255 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.376 4.430 -6.847 1.00 0.00 C ATOM 759 CD2 TYR A 51 3.377 2.655 -8.506 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.548 5.209 -7.679 1.00 0.00 C ATOM 761 CE2 TYR A 51 2.545 3.423 -9.340 1.00 0.00 C ATOM 762 CZ TYR A 51 2.130 4.705 -8.932 1.00 0.00 C ATOM 763 OH TYR A 51 1.350 5.449 -9.763 1.00 0.00 O ATOM 0 H TYR A 51 5.776 3.337 -4.283 1.00 0.00 H new ATOM 0 HA TYR A 51 3.139 2.135 -4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.687 2.726 -6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.782 1.301 -6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.695 4.819 -5.891 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.702 1.678 -8.830 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.233 6.191 -7.360 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.224 3.029 -10.293 1.00 0.00 H new ATOM 0 HH TYR A 51 1.163 4.940 -10.579 1.00 0.00 H new ATOM 773 N VAL A 52 3.715 0.050 -3.689 1.00 0.00 N ATOM 774 CA VAL A 52 3.981 -1.223 -2.993 1.00 0.00 C ATOM 775 C VAL A 52 3.652 -2.422 -3.893 1.00 0.00 C ATOM 776 O VAL A 52 2.534 -2.478 -4.412 1.00 0.00 O ATOM 777 CB VAL A 52 3.160 -1.314 -1.700 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.333 -2.680 -1.022 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.545 -0.180 -0.732 1.00 0.00 C ATOM 0 H VAL A 52 2.749 0.365 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 52 5.043 -1.249 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 52 2.109 -1.204 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.738 -2.711 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.000 -3.467 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.384 -2.834 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.952 -0.262 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.604 -0.257 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.353 0.783 -1.205 1.00 0.00 H new ATOM 789 N PRO A 53 4.570 -3.393 -4.077 1.00 0.00 N ATOM 790 CA PRO A 53 4.332 -4.570 -4.914 1.00 0.00 C ATOM 791 C PRO A 53 3.221 -5.457 -4.346 1.00 0.00 C ATOM 792 O PRO A 53 3.291 -5.895 -3.197 1.00 0.00 O ATOM 793 CB PRO A 53 5.671 -5.316 -4.971 1.00 0.00 C ATOM 794 CG PRO A 53 6.385 -4.883 -3.692 1.00 0.00 C ATOM 795 CD PRO A 53 5.903 -3.450 -3.491 1.00 0.00 C ATOM 0 HA PRO A 53 3.992 -4.283 -5.909 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.526 -6.396 -5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.242 -5.045 -5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.119 -5.519 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.469 -4.932 -3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.876 -3.191 -2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.574 -2.740 -3.975 1.00 0.00 H new ATOM 803 N VAL A 54 2.219 -5.777 -5.169 1.00 0.00 N ATOM 804 CA VAL A 54 1.129 -6.701 -4.793 1.00 0.00 C ATOM 805 C VAL A 54 1.603 -8.135 -4.510 1.00 0.00 C ATOM 806 O VAL A 54 0.939 -8.873 -3.784 1.00 0.00 O ATOM 807 CB VAL A 54 0.014 -6.732 -5.857 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.583 -5.339 -6.091 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.485 -7.290 -7.208 1.00 0.00 C ATOM 0 H VAL A 54 2.134 -5.407 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 54 0.733 -6.299 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.745 -7.401 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.365 -5.401 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.007 -4.964 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.199 -4.661 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.346 -7.285 -7.913 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.293 -6.670 -7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.842 -8.311 -7.075 1.00 0.00 H new ATOM 819 N GLU A 55 2.750 -8.537 -5.070 1.00 0.00 N ATOM 820 CA GLU A 55 3.323 -9.883 -4.920 1.00 0.00 C ATOM 821 C GLU A 55 3.936 -10.104 -3.530 1.00 0.00 C ATOM 822 O GLU A 55 3.703 -11.140 -2.901 1.00 0.00 O ATOM 823 CB GLU A 55 4.402 -10.146 -5.985 1.00 0.00 C ATOM 824 CG GLU A 55 3.924 -9.861 -7.418 1.00 0.00 C ATOM 825 CD GLU A 55 4.849 -10.439 -8.514 1.00 0.00 C ATOM 826 OE1 GLU A 55 5.924 -11.015 -8.211 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.495 -10.318 -9.713 1.00 0.00 O ATOM 0 H GLU A 55 3.319 -7.923 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 55 2.496 -10.581 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.273 -9.527 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.724 -11.185 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.924 -10.274 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.843 -8.783 -7.556 1.00 0.00 H new ATOM 834 N ALA A 56 4.711 -9.126 -3.046 1.00 0.00 N ATOM 835 CA ALA A 56 5.363 -9.151 -1.740 1.00 0.00 C ATOM 836 C ALA A 56 5.176 -7.807 -1.000 1.00 0.00 C ATOM 837 O ALA A 56 6.146 -7.075 -0.774 1.00 0.00 O ATOM 838 CB ALA A 56 6.835 -9.536 -1.966 1.00 0.00 C ATOM 0 H ALA A 56 4.905 -8.273 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 56 4.909 -9.893 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.355 -9.565 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.886 -10.518 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.309 -8.799 -2.614 1.00 0.00 H new ATOM 844 N PRO A 57 3.951 -7.493 -0.533 1.00 0.00 N ATOM 845 CA PRO A 57 3.664 -6.216 0.122 1.00 0.00 C ATOM 846 C PRO A 57 4.317 -6.129 1.509 1.00 0.00 C ATOM 847 O PRO A 57 4.776 -5.068 1.922 1.00 0.00 O ATOM 848 CB PRO A 57 2.135 -6.128 0.165 1.00 0.00 C ATOM 849 CG PRO A 57 1.679 -7.587 0.175 1.00 0.00 C ATOM 850 CD PRO A 57 2.728 -8.269 -0.699 1.00 0.00 C ATOM 0 HA PRO A 57 4.085 -5.368 -0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.791 -5.597 1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.742 -5.593 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.661 -7.999 1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.675 -7.701 -0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.878 -9.305 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.415 -8.287 -1.743 1.00 0.00 H new ATOM 858 N HIS A 58 4.435 -7.261 2.211 1.00 0.00 N ATOM 859 CA HIS A 58 5.129 -7.365 3.502 1.00 0.00 C ATOM 860 C HIS A 58 6.664 -7.272 3.385 1.00 0.00 C ATOM 861 O HIS A 58 7.316 -6.832 4.330 1.00 0.00 O ATOM 862 CB HIS A 58 4.684 -8.658 4.213 1.00 0.00 C ATOM 863 CG HIS A 58 5.207 -9.925 3.575 1.00 0.00 C ATOM 864 ND1 HIS A 58 4.631 -10.624 2.526 1.00 0.00 N ATOM 865 CD2 HIS A 58 6.358 -10.571 3.936 1.00 0.00 C ATOM 866 CE1 HIS A 58 5.445 -11.660 2.233 1.00 0.00 C ATOM 867 NE2 HIS A 58 6.495 -11.651 3.082 1.00 0.00 N ATOM 0 H HIS A 58 4.044 -8.148 1.893 1.00 0.00 H new ATOM 0 HA HIS A 58 4.843 -6.502 4.103 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.017 -8.622 5.250 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.595 -8.695 4.229 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.030 -10.292 4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.283 -12.381 1.445 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.260 -12.326 3.092 1.00 0.00 H new ATOM 876 N SER A 59 7.252 -7.634 2.234 1.00 0.00 N ATOM 877 CA SER A 59 8.712 -7.619 1.991 1.00 0.00 C ATOM 878 C SER A 59 9.320 -6.213 2.103 1.00 0.00 C ATOM 879 O SER A 59 10.391 -6.047 2.693 1.00 0.00 O ATOM 880 CB SER A 59 9.029 -8.233 0.620 1.00 0.00 C ATOM 881 OG SER A 59 10.410 -8.166 0.299 1.00 0.00 O ATOM 0 H SER A 59 6.718 -7.953 1.426 1.00 0.00 H new ATOM 0 HA SER A 59 9.171 -8.223 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.707 -9.274 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.455 -7.714 -0.148 1.00 0.00 H new ATOM 0 HG SER A 59 10.561 -8.570 -0.581 1.00 0.00 H new ATOM 887 N VAL A 60 8.621 -5.183 1.604 1.00 0.00 N ATOM 888 CA VAL A 60 9.033 -3.768 1.737 1.00 0.00 C ATOM 889 C VAL A 60 8.931 -3.242 3.187 1.00 0.00 C ATOM 890 O VAL A 60 9.481 -2.189 3.510 1.00 0.00 O ATOM 891 CB VAL A 60 8.237 -2.893 0.741 1.00 0.00 C ATOM 892 CG1 VAL A 60 6.739 -2.811 1.064 1.00 0.00 C ATOM 893 CG2 VAL A 60 8.804 -1.478 0.579 1.00 0.00 C ATOM 0 H VAL A 60 7.747 -5.304 1.092 1.00 0.00 H new ATOM 0 HA VAL A 60 10.092 -3.706 1.486 1.00 0.00 H new ATOM 0 HB VAL A 60 8.353 -3.414 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.242 -2.182 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.306 -3.811 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.604 -2.382 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.196 -0.922 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.791 -0.968 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.829 -1.536 0.213 1.00 0.00 H new ATOM 903 N GLY A 61 8.251 -3.978 4.077 1.00 0.00 N ATOM 904 CA GLY A 61 7.984 -3.609 5.473 1.00 0.00 C ATOM 905 C GLY A 61 6.583 -3.032 5.732 1.00 0.00 C ATOM 906 O GLY A 61 6.339 -2.507 6.820 1.00 0.00 O ATOM 0 H GLY A 61 7.855 -4.886 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.120 -4.491 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.727 -2.877 5.789 1.00 0.00 H new ATOM 910 N LEU A 62 5.662 -3.103 4.763 1.00 0.00 N ATOM 911 CA LEU A 62 4.275 -2.644 4.915 1.00 0.00 C ATOM 912 C LEU A 62 3.497 -3.573 5.873 1.00 0.00 C ATOM 913 O LEU A 62 3.495 -4.795 5.698 1.00 0.00 O ATOM 914 CB LEU A 62 3.586 -2.594 3.529 1.00 0.00 C ATOM 915 CG LEU A 62 2.491 -1.521 3.360 1.00 0.00 C ATOM 916 CD1 LEU A 62 1.713 -1.730 2.061 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.476 -1.485 4.484 1.00 0.00 C ATOM 0 H LEU A 62 5.862 -3.486 3.839 1.00 0.00 H new ATOM 0 HA LEU A 62 4.280 -1.642 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.351 -2.428 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.145 -3.570 3.328 1.00 0.00 H new ATOM 0 HG LEU A 62 3.038 -0.578 3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.948 -0.960 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.396 -1.668 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.240 -2.712 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.742 -0.703 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.971 -2.449 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.983 -1.277 5.426 1.00 0.00 H new ATOM 929 N ARG A 63 2.829 -2.997 6.879 1.00 0.00 N ATOM 930 CA ARG A 63 1.944 -3.692 7.834 1.00 0.00 C ATOM 931 C ARG A 63 0.660 -2.891 8.062 1.00 0.00 C ATOM 932 O ARG A 63 0.629 -1.676 7.849 1.00 0.00 O ATOM 933 CB ARG A 63 2.651 -3.927 9.184 1.00 0.00 C ATOM 934 CG ARG A 63 3.743 -5.004 9.142 1.00 0.00 C ATOM 935 CD ARG A 63 4.083 -5.486 10.566 1.00 0.00 C ATOM 936 NE ARG A 63 5.534 -5.508 10.837 1.00 0.00 N ATOM 937 CZ ARG A 63 6.448 -6.322 10.338 1.00 0.00 C ATOM 938 NH1 ARG A 63 6.156 -7.245 9.466 1.00 0.00 N ATOM 939 NH2 ARG A 63 7.690 -6.216 10.712 1.00 0.00 N ATOM 0 H ARG A 63 2.889 -1.995 7.061 1.00 0.00 H new ATOM 0 HA ARG A 63 1.692 -4.660 7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.094 -2.989 9.518 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.906 -4.210 9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.408 -5.847 8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.637 -4.605 8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.594 -4.835 11.290 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.677 -6.487 10.711 1.00 0.00 H new ATOM 0 HE ARG A 63 5.875 -4.805 11.493 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.194 -7.358 9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.889 -7.854 9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.959 -5.504 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.394 -6.845 10.326 1.00 0.00 H new ATOM 953 N LYS A 64 -0.408 -3.560 8.503 1.00 0.00 N ATOM 954 CA LYS A 64 -1.670 -2.895 8.866 1.00 0.00 C ATOM 955 C LYS A 64 -1.480 -2.160 10.196 1.00 0.00 C ATOM 956 O LYS A 64 -0.907 -2.718 11.135 1.00 0.00 O ATOM 957 CB LYS A 64 -2.827 -3.908 8.989 1.00 0.00 C ATOM 958 CG LYS A 64 -3.784 -3.872 7.785 1.00 0.00 C ATOM 959 CD LYS A 64 -5.238 -4.072 8.230 1.00 0.00 C ATOM 960 CE LYS A 64 -6.140 -4.257 7.007 1.00 0.00 C ATOM 961 NZ LYS A 64 -7.532 -4.591 7.404 1.00 0.00 N ATOM 0 H LYS A 64 -0.427 -4.573 8.620 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.930 -2.189 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.415 -4.912 9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.389 -3.701 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.687 -2.918 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.508 -4.650 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.311 -4.943 8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.571 -3.212 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.139 -3.344 6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.740 -5.050 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.117 -4.710 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.534 -5.475 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.921 -3.822 7.987 1.00 0.00 H new ATOM 975 N ALA A 65 -1.937 -0.911 10.270 1.00 0.00 N ATOM 976 CA ALA A 65 -1.915 -0.140 11.510 1.00 0.00 C ATOM 977 C ALA A 65 -3.056 -0.603 12.445 1.00 0.00 C ATOM 978 O ALA A 65 -3.856 -1.477 12.090 1.00 0.00 O ATOM 979 CB ALA A 65 -2.021 1.350 11.170 1.00 0.00 C ATOM 0 H ALA A 65 -2.331 -0.408 9.475 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.978 -0.305 12.041 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.005 1.935 12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.180 1.640 10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.954 1.536 10.637 1.00 0.00 H new