USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 50 THR OG1 : rot -41:sc= 1.26 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.995 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0.00341 USER MOD Set 2.2: A 33 THR OG1 : rot 98:sc= 1.2 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.0204 (180deg=-0.237) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 86:sc= 0.0191 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0974 K(o=-0.097,f=-1.3!) USER MOD Single : A 39 HIS : no HE2:sc= -4.39! C(o=-4.4!,f=-4.4!) USER MOD Single : A 41 SER OG : rot -75:sc= 0.329 USER MOD Single : A 42 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.19) USER MOD Single : A 52 ASN : amide:sc= -0.0562 K(o=-0.056,f=-1.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.85) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -0.728 -12.173 6.437 1.00 0.00 N ATOM 115 CA ARG A 11 -0.605 -12.061 4.993 1.00 0.00 C ATOM 116 C ARG A 11 0.186 -10.804 4.625 1.00 0.00 C ATOM 117 O ARG A 11 0.429 -9.947 5.474 1.00 0.00 O ATOM 118 CB ARG A 11 -1.980 -12.004 4.326 1.00 0.00 C ATOM 119 CG ARG A 11 -2.271 -13.295 3.558 1.00 0.00 C ATOM 120 CD ARG A 11 -3.674 -13.817 3.875 1.00 0.00 C ATOM 121 NE ARG A 11 -3.590 -15.182 4.441 1.00 0.00 N ATOM 122 CZ ARG A 11 -4.536 -15.735 5.212 1.00 0.00 C ATOM 123 NH1 ARG A 11 -5.643 -15.043 5.513 1.00 0.00 N ATOM 124 NH2 ARG A 11 -4.375 -16.979 5.682 1.00 0.00 N ATOM 0 HA ARG A 11 -0.077 -12.945 4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.749 -11.845 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.023 -11.154 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.180 -13.114 2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.530 -14.052 3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.168 -13.151 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.281 -13.827 2.970 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.760 -15.736 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.765 -14.096 5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.364 -15.464 6.100 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.532 -17.506 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.095 -17.400 6.269 1.00 0.00 H new ATOM 138 N LYS A 12 0.566 -10.733 3.357 1.00 0.00 N ATOM 139 CA LYS A 12 1.324 -9.595 2.866 1.00 0.00 C ATOM 140 C LYS A 12 0.755 -9.153 1.516 1.00 0.00 C ATOM 141 O LYS A 12 0.019 -9.901 0.874 1.00 0.00 O ATOM 142 CB LYS A 12 2.818 -9.923 2.825 1.00 0.00 C ATOM 143 CG LYS A 12 3.343 -10.260 4.222 1.00 0.00 C ATOM 144 CD LYS A 12 4.585 -11.149 4.141 1.00 0.00 C ATOM 145 CE LYS A 12 5.294 -11.227 5.495 1.00 0.00 C ATOM 146 NZ LYS A 12 6.325 -12.288 5.481 1.00 0.00 N ATOM 0 H LYS A 12 0.363 -11.445 2.655 1.00 0.00 H new ATOM 0 HA LYS A 12 1.225 -8.750 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.991 -10.765 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.369 -9.074 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.584 -9.340 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.566 -10.766 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.299 -12.150 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.270 -10.755 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.755 -10.267 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.567 -11.429 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.796 -12.327 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.877 -13.205 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.028 -12.079 4.744 1.00 0.00 H new ATOM 160 N ALA A 13 1.117 -7.940 1.126 1.00 0.00 N ATOM 161 CA ALA A 13 0.652 -7.389 -0.136 1.00 0.00 C ATOM 162 C ALA A 13 1.774 -6.567 -0.773 1.00 0.00 C ATOM 163 O ALA A 13 2.559 -5.932 -0.070 1.00 0.00 O ATOM 164 CB ALA A 13 -0.613 -6.563 0.103 1.00 0.00 C ATOM 0 H ALA A 13 1.727 -7.323 1.662 1.00 0.00 H new ATOM 0 HA ALA A 13 0.393 -8.187 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.962 -6.150 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.388 -7.200 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.391 -5.750 0.794 1.00 0.00 H new ATOM 170 N LYS A 14 1.813 -6.604 -2.097 1.00 0.00 N ATOM 171 CA LYS A 14 2.825 -5.870 -2.837 1.00 0.00 C ATOM 172 C LYS A 14 2.164 -4.709 -3.582 1.00 0.00 C ATOM 173 O LYS A 14 1.180 -4.903 -4.293 1.00 0.00 O ATOM 174 CB LYS A 14 3.615 -6.814 -3.746 1.00 0.00 C ATOM 175 CG LYS A 14 4.396 -6.032 -4.803 1.00 0.00 C ATOM 176 CD LYS A 14 5.055 -6.977 -5.809 1.00 0.00 C ATOM 177 CE LYS A 14 4.195 -7.129 -7.065 1.00 0.00 C ATOM 178 NZ LYS A 14 4.236 -5.889 -7.873 1.00 0.00 N ATOM 0 H LYS A 14 1.160 -7.131 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 14 3.556 -5.436 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.304 -7.410 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.933 -7.510 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.725 -5.350 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.158 -5.421 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.039 -6.595 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.209 -7.953 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.554 -7.970 -7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.166 -7.353 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.982 -6.108 -8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.560 -5.200 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.195 -5.487 -7.844 1.00 0.00 H new ATOM 192 N ALA A 15 2.733 -3.527 -3.394 1.00 0.00 N ATOM 193 CA ALA A 15 2.211 -2.334 -4.039 1.00 0.00 C ATOM 194 C ALA A 15 2.432 -2.439 -5.549 1.00 0.00 C ATOM 195 O ALA A 15 3.535 -2.744 -5.999 1.00 0.00 O ATOM 196 CB ALA A 15 2.876 -1.095 -3.437 1.00 0.00 C ATOM 0 H ALA A 15 3.550 -3.370 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 15 1.138 -2.243 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.484 -0.200 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.665 -1.052 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.954 -1.149 -3.592 1.00 0.00 H new ATOM 202 N LEU A 16 1.365 -2.179 -6.291 1.00 0.00 N ATOM 203 CA LEU A 16 1.429 -2.240 -7.741 1.00 0.00 C ATOM 204 C LEU A 16 2.048 -0.947 -8.275 1.00 0.00 C ATOM 205 O LEU A 16 2.969 -0.986 -9.090 1.00 0.00 O ATOM 206 CB LEU A 16 0.049 -2.548 -8.326 1.00 0.00 C ATOM 207 CG LEU A 16 -0.540 -3.915 -7.971 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.029 -3.978 -8.319 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.252 -5.043 -8.636 1.00 0.00 C ATOM 0 H LEU A 16 0.451 -1.926 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 16 2.075 -3.058 -8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.646 -1.777 -7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.111 -2.472 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.455 -4.054 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.423 -4.960 -8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.566 -3.211 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.160 -3.808 -9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.187 -6.004 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.221 -4.920 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.287 -5.010 -8.296 1.00 0.00 H new ATOM 221 N TYR A 17 1.518 0.168 -7.794 1.00 0.00 N ATOM 222 CA TYR A 17 2.008 1.470 -8.213 1.00 0.00 C ATOM 223 C TYR A 17 2.367 2.336 -7.004 1.00 0.00 C ATOM 224 O TYR A 17 1.754 2.213 -5.944 1.00 0.00 O ATOM 225 CB TYR A 17 0.855 2.130 -8.972 1.00 0.00 C ATOM 226 CG TYR A 17 0.140 1.197 -9.952 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.852 0.351 -9.500 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.488 1.201 -11.287 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.524 -0.527 -10.422 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.184 0.323 -12.209 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.157 -0.498 -11.731 1.00 0.00 C ATOM 232 OH TYR A 17 -1.792 -1.328 -12.602 1.00 0.00 O ATOM 0 H TYR A 17 0.754 0.197 -7.118 1.00 0.00 H new ATOM 0 HA TYR A 17 2.905 1.364 -8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.130 2.509 -8.252 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.240 2.990 -9.520 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.124 0.348 -8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.265 1.863 -11.640 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.302 -1.194 -10.082 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.079 0.317 -13.257 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.427 -1.198 -13.502 1.00 0.00 H new ATOM 242 N ALA A 18 3.360 3.191 -7.202 1.00 0.00 N ATOM 243 CA ALA A 18 3.808 4.076 -6.141 1.00 0.00 C ATOM 244 C ALA A 18 2.704 5.088 -5.827 1.00 0.00 C ATOM 245 O ALA A 18 2.175 5.736 -6.729 1.00 0.00 O ATOM 246 CB ALA A 18 5.116 4.751 -6.558 1.00 0.00 C ATOM 0 H ALA A 18 3.867 3.289 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 18 4.008 3.513 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.453 5.415 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.875 3.991 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.953 5.329 -7.468 1.00 0.00 H new ATOM 252 N CYS A 19 2.390 5.193 -4.544 1.00 0.00 N ATOM 253 CA CYS A 19 1.359 6.115 -4.099 1.00 0.00 C ATOM 254 C CYS A 19 1.985 7.090 -3.100 1.00 0.00 C ATOM 255 O CYS A 19 2.884 6.721 -2.347 1.00 0.00 O ATOM 256 CB CYS A 19 0.159 5.377 -3.500 1.00 0.00 C ATOM 257 SG CYS A 19 -1.391 6.248 -3.932 1.00 0.00 S ATOM 0 H CYS A 19 2.832 4.655 -3.799 1.00 0.00 H new ATOM 0 HA CYS A 19 0.971 6.670 -4.953 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.127 4.354 -3.874 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.262 5.317 -2.417 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.807 5.843 -5.095 1.00 0.00 H new ATOM 263 N LYS A 20 1.484 8.317 -3.127 1.00 0.00 N ATOM 264 CA LYS A 20 1.983 9.348 -2.233 1.00 0.00 C ATOM 265 C LYS A 20 0.848 9.822 -1.324 1.00 0.00 C ATOM 266 O LYS A 20 -0.147 10.367 -1.799 1.00 0.00 O ATOM 267 CB LYS A 20 2.643 10.475 -3.031 1.00 0.00 C ATOM 268 CG LYS A 20 3.368 11.452 -2.103 1.00 0.00 C ATOM 269 CD LYS A 20 2.656 12.805 -2.066 1.00 0.00 C ATOM 270 CE LYS A 20 3.652 13.954 -2.229 1.00 0.00 C ATOM 271 NZ LYS A 20 2.948 15.256 -2.229 1.00 0.00 N ATOM 0 H LYS A 20 0.738 8.620 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 20 2.763 8.947 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.350 10.054 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.887 11.008 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.417 11.035 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.395 11.587 -2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.911 12.850 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.122 12.913 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.381 13.928 -1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.206 13.834 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.640 16.025 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.269 15.284 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.440 15.376 -1.330 1.00 0.00 H new ATOM 350 N GLU A 26 -3.237 7.613 5.431 1.00 0.00 N ATOM 351 CA GLU A 26 -2.723 6.937 4.253 1.00 0.00 C ATOM 352 C GLU A 26 -1.223 6.673 4.404 1.00 0.00 C ATOM 353 O GLU A 26 -0.554 7.317 5.211 1.00 0.00 O ATOM 354 CB GLU A 26 -3.013 7.744 2.986 1.00 0.00 C ATOM 355 CG GLU A 26 -4.518 7.845 2.733 1.00 0.00 C ATOM 356 CD GLU A 26 -4.818 8.812 1.585 1.00 0.00 C ATOM 357 OE1 GLU A 26 -4.213 8.619 0.509 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.645 9.722 1.811 1.00 0.00 O ATOM 0 HA GLU A 26 -3.233 5.978 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.589 8.744 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.528 7.273 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.917 6.859 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.021 8.183 3.639 1.00 0.00 H new ATOM 365 N LEU A 27 -0.739 5.726 3.614 1.00 0.00 N ATOM 366 CA LEU A 27 0.669 5.369 3.650 1.00 0.00 C ATOM 367 C LEU A 27 1.320 5.744 2.317 1.00 0.00 C ATOM 368 O LEU A 27 0.633 5.893 1.307 1.00 0.00 O ATOM 369 CB LEU A 27 0.840 3.896 4.025 1.00 0.00 C ATOM 370 CG LEU A 27 0.410 3.510 5.442 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.415 1.991 5.622 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.276 4.214 6.488 1.00 0.00 C ATOM 0 H LEU A 27 -1.297 5.195 2.945 1.00 0.00 H new ATOM 0 HA LEU A 27 1.185 5.933 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.271 3.293 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.889 3.629 3.900 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.615 3.848 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.106 1.744 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.277 1.538 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.420 1.607 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.950 3.923 7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.319 3.928 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.178 5.294 6.375 1.00 0.00 H new ATOM 384 N SER A 28 2.637 5.884 2.356 1.00 0.00 N ATOM 385 CA SER A 28 3.387 6.239 1.164 1.00 0.00 C ATOM 386 C SER A 28 4.486 5.204 0.910 1.00 0.00 C ATOM 387 O SER A 28 5.219 4.835 1.826 1.00 0.00 O ATOM 388 CB SER A 28 3.995 7.637 1.290 1.00 0.00 C ATOM 389 OG SER A 28 4.975 7.702 2.322 1.00 0.00 O ATOM 0 H SER A 28 3.204 5.758 3.195 1.00 0.00 H new ATOM 0 HA SER A 28 2.700 6.247 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.449 7.922 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.204 8.359 1.495 1.00 0.00 H new ATOM 0 HG SER A 28 5.340 8.610 2.369 1.00 0.00 H new ATOM 395 N PHE A 29 4.564 4.765 -0.337 1.00 0.00 N ATOM 396 CA PHE A 29 5.561 3.780 -0.723 1.00 0.00 C ATOM 397 C PHE A 29 5.782 3.788 -2.237 1.00 0.00 C ATOM 398 O PHE A 29 5.228 4.628 -2.945 1.00 0.00 O ATOM 399 CB PHE A 29 5.021 2.411 -0.305 1.00 0.00 C ATOM 400 CG PHE A 29 3.523 2.228 -0.559 1.00 0.00 C ATOM 401 CD1 PHE A 29 3.075 1.951 -1.813 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.640 2.342 0.469 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.685 1.782 -2.049 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.251 2.173 0.233 1.00 0.00 C ATOM 405 CZ PHE A 29 0.802 1.896 -1.020 1.00 0.00 C ATOM 0 H PHE A 29 3.953 5.073 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 29 6.513 4.006 -0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.567 1.637 -0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.220 2.262 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.776 1.860 -2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.996 2.561 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.329 1.563 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.550 2.264 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.255 1.766 -1.199 1.00 0.00 H new ATOM 415 N THR A 30 6.593 2.842 -2.689 1.00 0.00 N ATOM 416 CA THR A 30 6.894 2.729 -4.106 1.00 0.00 C ATOM 417 C THR A 30 6.483 1.352 -4.630 1.00 0.00 C ATOM 418 O THR A 30 6.410 0.390 -3.868 1.00 0.00 O ATOM 419 CB THR A 30 8.381 3.034 -4.298 1.00 0.00 C ATOM 420 OG1 THR A 30 9.033 2.195 -3.349 1.00 0.00 O ATOM 421 CG2 THR A 30 8.750 4.452 -3.859 1.00 0.00 C ATOM 0 H THR A 30 7.051 2.147 -2.099 1.00 0.00 H new ATOM 0 HA THR A 30 6.321 3.448 -4.691 1.00 0.00 H new ATOM 0 HB THR A 30 8.646 2.899 -5.347 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.002 2.328 -3.407 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.816 4.616 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.181 5.174 -4.445 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.516 4.578 -2.802 1.00 0.00 H new ATOM 429 N ALA A 31 6.224 1.302 -5.929 1.00 0.00 N ATOM 430 CA ALA A 31 5.822 0.059 -6.564 1.00 0.00 C ATOM 431 C ALA A 31 6.837 -1.034 -6.224 1.00 0.00 C ATOM 432 O ALA A 31 8.042 -0.789 -6.222 1.00 0.00 O ATOM 433 CB ALA A 31 5.685 0.277 -8.072 1.00 0.00 C ATOM 0 H ALA A 31 6.285 2.102 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 31 4.850 -0.265 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.383 -0.656 -8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.932 1.042 -8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.642 0.601 -8.481 1.00 0.00 H new ATOM 439 N GLY A 32 6.312 -2.218 -5.944 1.00 0.00 N ATOM 440 CA GLY A 32 7.157 -3.350 -5.603 1.00 0.00 C ATOM 441 C GLY A 32 7.447 -3.385 -4.101 1.00 0.00 C ATOM 442 O GLY A 32 8.400 -4.027 -3.664 1.00 0.00 O ATOM 0 H GLY A 32 5.312 -2.418 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.669 -4.277 -5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.094 -3.289 -6.157 1.00 0.00 H new ATOM 446 N THR A 33 6.606 -2.686 -3.352 1.00 0.00 N ATOM 447 CA THR A 33 6.761 -2.628 -1.909 1.00 0.00 C ATOM 448 C THR A 33 5.802 -3.609 -1.231 1.00 0.00 C ATOM 449 O THR A 33 4.589 -3.529 -1.419 1.00 0.00 O ATOM 450 CB THR A 33 6.556 -1.177 -1.469 1.00 0.00 C ATOM 451 OG1 THR A 33 7.776 -0.532 -1.824 1.00 0.00 O ATOM 452 CG2 THR A 33 6.488 -1.031 0.053 1.00 0.00 C ATOM 0 H THR A 33 5.815 -2.155 -3.718 1.00 0.00 H new ATOM 0 HA THR A 33 7.762 -2.936 -1.606 1.00 0.00 H new ATOM 0 HB THR A 33 5.639 -0.789 -1.913 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.666 -0.073 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.342 0.018 0.312 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.655 -1.619 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.419 -1.387 0.495 1.00 0.00 H new ATOM 460 N VAL A 34 6.382 -4.513 -0.455 1.00 0.00 N ATOM 461 CA VAL A 34 5.595 -5.509 0.252 1.00 0.00 C ATOM 462 C VAL A 34 5.174 -4.948 1.612 1.00 0.00 C ATOM 463 O VAL A 34 5.967 -4.298 2.291 1.00 0.00 O ATOM 464 CB VAL A 34 6.381 -6.817 0.362 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.903 -7.645 1.556 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.290 -7.622 -0.936 1.00 0.00 C ATOM 0 H VAL A 34 7.388 -4.576 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 34 4.684 -5.739 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 34 7.429 -6.566 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.478 -8.569 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.044 -7.075 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.846 -7.882 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.857 -8.547 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.247 -7.858 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.701 -7.035 -1.758 1.00 0.00 H new ATOM 476 N PHE A 35 3.928 -5.222 1.969 1.00 0.00 N ATOM 477 CA PHE A 35 3.392 -4.753 3.236 1.00 0.00 C ATOM 478 C PHE A 35 3.179 -5.917 4.205 1.00 0.00 C ATOM 479 O PHE A 35 2.568 -6.923 3.848 1.00 0.00 O ATOM 480 CB PHE A 35 2.041 -4.100 2.936 1.00 0.00 C ATOM 481 CG PHE A 35 2.127 -2.894 1.998 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.476 -1.674 2.488 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.855 -3.042 0.674 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.556 -0.555 1.618 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.935 -1.923 -0.197 1.00 0.00 C ATOM 486 CZ PHE A 35 2.284 -0.703 0.293 1.00 0.00 C ATOM 0 H PHE A 35 3.274 -5.763 1.403 1.00 0.00 H new ATOM 0 HA PHE A 35 4.088 -4.053 3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.379 -4.845 2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.585 -3.785 3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.692 -1.557 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.578 -4.011 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.833 0.413 2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.719 -2.041 -1.249 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.345 0.148 -0.369 1.00 0.00 H new ATOM 496 N ASP A 36 3.693 -5.741 5.413 1.00 0.00 N ATOM 497 CA ASP A 36 3.567 -6.764 6.437 1.00 0.00 C ATOM 498 C ASP A 36 2.164 -6.701 7.044 1.00 0.00 C ATOM 499 O ASP A 36 1.591 -5.621 7.183 1.00 0.00 O ATOM 500 CB ASP A 36 4.579 -6.545 7.563 1.00 0.00 C ATOM 501 CG ASP A 36 5.696 -7.588 7.641 1.00 0.00 C ATOM 502 OD1 ASP A 36 5.351 -8.776 7.819 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.869 -7.173 7.519 1.00 0.00 O ATOM 0 H ASP A 36 4.198 -4.905 5.706 1.00 0.00 H new ATOM 0 HA ASP A 36 3.751 -7.732 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.030 -5.560 7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.046 -6.534 8.513 1.00 0.00 H new ATOM 508 N ASN A 37 1.650 -7.872 7.390 1.00 0.00 N ATOM 509 CA ASN A 37 0.325 -7.964 7.978 1.00 0.00 C ATOM 510 C ASN A 37 -0.627 -7.027 7.231 1.00 0.00 C ATOM 511 O ASN A 37 -0.784 -5.867 7.608 1.00 0.00 O ATOM 512 CB ASN A 37 0.345 -7.543 9.449 1.00 0.00 C ATOM 513 CG ASN A 37 -0.662 -8.354 10.266 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.509 -9.056 9.737 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.525 -8.220 11.582 1.00 0.00 N ATOM 0 H ASN A 37 2.128 -8.766 7.274 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.005 -9.000 7.903 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.346 -7.683 9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.113 -6.481 9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.150 -8.721 12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.205 -7.616 11.960 1.00 0.00 H new ATOM 522 N VAL A 38 -1.237 -7.566 6.186 1.00 0.00 N ATOM 523 CA VAL A 38 -2.168 -6.793 5.383 1.00 0.00 C ATOM 524 C VAL A 38 -3.592 -7.292 5.638 1.00 0.00 C ATOM 525 O VAL A 38 -3.837 -8.497 5.653 1.00 0.00 O ATOM 526 CB VAL A 38 -1.767 -6.859 3.907 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.830 -6.207 3.021 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.397 -6.217 3.683 1.00 0.00 C ATOM 0 H VAL A 38 -1.105 -8.529 5.877 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.136 -5.741 5.668 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.695 -7.909 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.521 -6.267 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.779 -6.727 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.948 -5.161 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.135 -6.277 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.431 -5.172 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.353 -6.744 4.273 1.00 0.00 H new ATOM 538 N HIS A 39 -4.493 -6.340 5.833 1.00 0.00 N ATOM 539 CA HIS A 39 -5.885 -6.668 6.087 1.00 0.00 C ATOM 540 C HIS A 39 -6.781 -5.543 5.567 1.00 0.00 C ATOM 541 O HIS A 39 -6.310 -4.434 5.317 1.00 0.00 O ATOM 542 CB HIS A 39 -6.111 -6.968 7.571 1.00 0.00 C ATOM 543 CG HIS A 39 -6.331 -5.738 8.419 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.580 -5.176 8.615 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.448 -4.969 9.120 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.444 -4.117 9.399 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.122 -3.990 9.711 1.00 0.00 N ATOM 0 H HIS A 39 -4.286 -5.341 5.820 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.152 -7.577 5.547 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.975 -7.625 7.671 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.249 -7.513 7.956 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.457 -5.519 8.222 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.382 -5.130 9.183 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.240 -3.468 9.733 1.00 0.00 H new ATOM 555 N PRO A 40 -8.091 -5.875 5.414 1.00 0.00 N ATOM 556 CA PRO A 40 -9.057 -4.905 4.927 1.00 0.00 C ATOM 557 C PRO A 40 -9.406 -3.886 6.014 1.00 0.00 C ATOM 558 O PRO A 40 -10.038 -4.230 7.012 1.00 0.00 O ATOM 559 CB PRO A 40 -10.253 -5.730 4.481 1.00 0.00 C ATOM 560 CG PRO A 40 -10.102 -7.082 5.159 1.00 0.00 C ATOM 561 CD PRO A 40 -8.685 -7.178 5.699 1.00 0.00 C ATOM 0 HA PRO A 40 -8.672 -4.307 4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.188 -5.250 4.770 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.271 -5.837 3.396 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.826 -7.187 5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.296 -7.888 4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.682 -7.389 6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.130 -7.981 5.214 1.00 0.00 H new ATOM 569 N SER A 41 -8.979 -2.653 5.784 1.00 0.00 N ATOM 570 CA SER A 41 -9.239 -1.582 6.731 1.00 0.00 C ATOM 571 C SER A 41 -10.745 -1.444 6.966 1.00 0.00 C ATOM 572 O SER A 41 -11.508 -2.365 6.677 1.00 0.00 O ATOM 573 CB SER A 41 -8.655 -0.257 6.237 1.00 0.00 C ATOM 574 OG SER A 41 -9.581 0.467 5.432 1.00 0.00 O ATOM 0 H SER A 41 -8.455 -2.372 4.956 1.00 0.00 H new ATOM 0 HA SER A 41 -8.753 -1.834 7.674 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.364 0.353 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.750 -0.452 5.662 1.00 0.00 H new ATOM 0 HG SER A 41 -9.639 0.051 4.546 1.00 0.00 H new ATOM 580 N GLN A 42 -11.127 -0.288 7.487 1.00 0.00 N ATOM 581 CA GLN A 42 -12.527 -0.018 7.764 1.00 0.00 C ATOM 582 C GLN A 42 -13.192 0.634 6.550 1.00 0.00 C ATOM 583 O GLN A 42 -14.397 0.493 6.348 1.00 0.00 O ATOM 584 CB GLN A 42 -12.681 0.857 9.010 1.00 0.00 C ATOM 585 CG GLN A 42 -14.116 0.809 9.539 1.00 0.00 C ATOM 586 CD GLN A 42 -14.416 -0.543 10.190 1.00 0.00 C ATOM 587 OE1 GLN A 42 -13.888 -0.889 11.234 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.291 -1.285 9.517 1.00 0.00 N ATOM 0 H GLN A 42 -10.491 0.473 7.725 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.027 -0.966 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.993 0.518 9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.411 1.886 8.772 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.266 1.608 10.265 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.815 0.986 8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.695 -0.935 8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.558 -2.204 9.869 1.00 0.00 H new ATOM 597 N GLU A 43 -12.377 1.334 5.774 1.00 0.00 N ATOM 598 CA GLU A 43 -12.871 2.008 4.586 1.00 0.00 C ATOM 599 C GLU A 43 -13.027 1.011 3.436 1.00 0.00 C ATOM 600 O GLU A 43 -12.363 -0.024 3.413 1.00 0.00 O ATOM 601 CB GLU A 43 -11.951 3.164 4.189 1.00 0.00 C ATOM 602 CG GLU A 43 -12.182 4.382 5.085 1.00 0.00 C ATOM 603 CD GLU A 43 -12.178 3.984 6.563 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.069 3.725 7.078 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.284 3.947 7.143 1.00 0.00 O ATOM 0 H GLU A 43 -11.378 1.449 5.945 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.851 2.428 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.911 2.847 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.130 3.435 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.405 5.125 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.134 4.848 4.833 1.00 0.00 H new ATOM 612 N PRO A 44 -13.932 1.367 2.485 1.00 0.00 N ATOM 613 CA PRO A 44 -14.183 0.516 1.335 1.00 0.00 C ATOM 614 C PRO A 44 -13.036 0.604 0.326 1.00 0.00 C ATOM 615 O PRO A 44 -12.647 1.697 -0.082 1.00 0.00 O ATOM 616 CB PRO A 44 -15.509 0.999 0.770 1.00 0.00 C ATOM 617 CG PRO A 44 -15.722 2.393 1.338 1.00 0.00 C ATOM 618 CD PRO A 44 -14.736 2.586 2.479 1.00 0.00 C ATOM 0 HA PRO A 44 -14.238 -0.540 1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.484 1.021 -0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.322 0.332 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.566 3.147 0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.746 2.508 1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.116 3.468 2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.252 2.725 3.429 1.00 0.00 H new ATOM 626 N GLY A 45 -12.528 -0.561 -0.047 1.00 0.00 N ATOM 627 CA GLY A 45 -11.434 -0.629 -1.001 1.00 0.00 C ATOM 628 C GLY A 45 -10.163 -0.005 -0.422 1.00 0.00 C ATOM 629 O GLY A 45 -9.434 0.693 -1.124 1.00 0.00 O ATOM 0 H GLY A 45 -12.854 -1.466 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.244 -1.668 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.713 -0.110 -1.918 1.00 0.00 H new ATOM 633 N TRP A 46 -9.935 -0.280 0.855 1.00 0.00 N ATOM 634 CA TRP A 46 -8.765 0.246 1.536 1.00 0.00 C ATOM 635 C TRP A 46 -8.226 -0.847 2.462 1.00 0.00 C ATOM 636 O TRP A 46 -8.976 -1.425 3.248 1.00 0.00 O ATOM 637 CB TRP A 46 -9.097 1.544 2.274 1.00 0.00 C ATOM 638 CG TRP A 46 -9.342 2.739 1.351 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.515 3.281 0.996 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.336 3.525 0.676 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.340 4.353 0.145 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.973 4.506 -0.056 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.935 3.410 0.684 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.289 5.447 -0.834 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.266 4.358 -0.099 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.893 5.352 -0.841 1.00 0.00 C ATOM 0 H TRP A 46 -10.541 -0.860 1.435 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.988 0.510 0.819 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -9.983 1.384 2.888 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.278 1.784 2.952 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.477 2.924 1.334 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -11.078 4.928 -0.262 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.416 2.650 1.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.811 6.206 -1.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.187 4.314 -0.129 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.305 6.048 -1.421 1.00 0.00 H new ATOM 657 N LEU A 47 -6.931 -1.098 2.338 1.00 0.00 N ATOM 658 CA LEU A 47 -6.284 -2.111 3.154 1.00 0.00 C ATOM 659 C LEU A 47 -5.492 -1.430 4.272 1.00 0.00 C ATOM 660 O LEU A 47 -4.929 -0.354 4.073 1.00 0.00 O ATOM 661 CB LEU A 47 -5.439 -3.042 2.282 1.00 0.00 C ATOM 662 CG LEU A 47 -6.165 -3.701 1.107 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.181 -4.446 0.203 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.293 -4.610 1.598 1.00 0.00 C ATOM 0 H LEU A 47 -6.312 -0.617 1.685 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.029 -2.748 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.595 -2.474 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.027 -3.827 2.916 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.624 -2.916 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.723 -4.905 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.445 -3.744 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.673 -5.220 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.792 -5.065 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.879 -5.392 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.013 -4.022 2.167 1.00 0.00 H new ATOM 676 N GLU A 48 -5.473 -2.084 5.424 1.00 0.00 N ATOM 677 CA GLU A 48 -4.760 -1.555 6.574 1.00 0.00 C ATOM 678 C GLU A 48 -3.630 -2.504 6.980 1.00 0.00 C ATOM 679 O GLU A 48 -3.864 -3.489 7.680 1.00 0.00 O ATOM 680 CB GLU A 48 -5.713 -1.305 7.744 1.00 0.00 C ATOM 681 CG GLU A 48 -5.085 -0.361 8.771 1.00 0.00 C ATOM 682 CD GLU A 48 -6.162 0.336 9.605 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.238 -0.278 9.771 1.00 0.00 O ATOM 684 OE2 GLU A 48 -5.885 1.467 10.059 1.00 0.00 O ATOM 0 H GLU A 48 -5.940 -2.976 5.586 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.322 -0.597 6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.645 -0.877 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.965 -2.252 8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.419 -0.922 9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.476 0.385 8.260 1.00 0.00 H new ATOM 691 N GLY A 49 -2.431 -2.174 6.524 1.00 0.00 N ATOM 692 CA GLY A 49 -1.265 -2.985 6.832 1.00 0.00 C ATOM 693 C GLY A 49 -0.188 -2.154 7.531 1.00 0.00 C ATOM 694 O GLY A 49 -0.446 -1.029 7.958 1.00 0.00 O ATOM 0 H GLY A 49 -2.241 -1.357 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.556 -3.820 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.861 -3.411 5.914 1.00 0.00 H new ATOM 698 N THR A 50 0.997 -2.739 7.626 1.00 0.00 N ATOM 699 CA THR A 50 2.115 -2.066 8.267 1.00 0.00 C ATOM 700 C THR A 50 3.269 -1.891 7.278 1.00 0.00 C ATOM 701 O THR A 50 3.523 -2.768 6.454 1.00 0.00 O ATOM 702 CB THR A 50 2.497 -2.866 9.513 1.00 0.00 C ATOM 703 OG1 THR A 50 1.287 -2.944 10.261 1.00 0.00 O ATOM 704 CG2 THR A 50 3.453 -2.100 10.430 1.00 0.00 C ATOM 0 H THR A 50 1.208 -3.671 7.270 1.00 0.00 H new ATOM 0 HA THR A 50 1.843 -1.059 8.582 1.00 0.00 H new ATOM 0 HB THR A 50 2.958 -3.807 9.212 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.826 -2.080 10.229 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.692 -2.713 11.299 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.369 -1.867 9.887 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.980 -1.174 10.758 1.00 0.00 H new ATOM 712 N LEU A 51 3.938 -0.753 7.393 1.00 0.00 N ATOM 713 CA LEU A 51 5.060 -0.453 6.520 1.00 0.00 C ATOM 714 C LEU A 51 6.113 0.335 7.302 1.00 0.00 C ATOM 715 O LEU A 51 5.937 1.524 7.564 1.00 0.00 O ATOM 716 CB LEU A 51 4.577 0.256 5.253 1.00 0.00 C ATOM 717 CG LEU A 51 5.671 0.748 4.302 1.00 0.00 C ATOM 718 CD1 LEU A 51 6.216 -0.402 3.453 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.167 1.908 3.441 1.00 0.00 C ATOM 0 H LEU A 51 3.724 -0.028 8.078 1.00 0.00 H new ATOM 0 HA LEU A 51 5.536 -1.373 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.926 -0.425 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.968 1.111 5.548 1.00 0.00 H new ATOM 0 HG LEU A 51 6.500 1.127 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.992 -0.026 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.638 -1.167 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.408 -0.833 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.963 2.239 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.313 1.578 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.866 2.735 4.084 1.00 0.00 H new ATOM 731 N ASN A 52 7.185 -0.360 7.654 1.00 0.00 N ATOM 732 CA ASN A 52 8.266 0.259 8.401 1.00 0.00 C ATOM 733 C ASN A 52 7.726 0.781 9.734 1.00 0.00 C ATOM 734 O ASN A 52 7.720 1.987 9.976 1.00 0.00 O ATOM 735 CB ASN A 52 8.857 1.444 7.635 1.00 0.00 C ATOM 736 CG ASN A 52 9.860 0.969 6.581 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.253 -0.185 6.536 1.00 0.00 O ATOM 738 ND2 ASN A 52 10.249 1.921 5.737 1.00 0.00 N ATOM 0 H ASN A 52 7.328 -1.346 7.435 1.00 0.00 H new ATOM 0 HA ASN A 52 9.040 -0.492 8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.057 2.006 7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.349 2.123 8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.916 1.704 4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.881 2.867 5.831 1.00 0.00 H new ATOM 745 N GLY A 53 7.285 -0.153 10.564 1.00 0.00 N ATOM 746 CA GLY A 53 6.744 0.198 11.866 1.00 0.00 C ATOM 747 C GLY A 53 5.745 1.351 11.752 1.00 0.00 C ATOM 748 O GLY A 53 5.674 2.205 12.635 1.00 0.00 O ATOM 0 H GLY A 53 7.291 -1.152 10.360 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.254 -0.670 12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.555 0.480 12.537 1.00 0.00 H new ATOM 752 N LYS A 54 4.999 1.340 10.658 1.00 0.00 N ATOM 753 CA LYS A 54 4.008 2.375 10.417 1.00 0.00 C ATOM 754 C LYS A 54 2.771 1.750 9.768 1.00 0.00 C ATOM 755 O LYS A 54 2.875 1.087 8.737 1.00 0.00 O ATOM 756 CB LYS A 54 4.615 3.520 9.605 1.00 0.00 C ATOM 757 CG LYS A 54 3.818 4.812 9.797 1.00 0.00 C ATOM 758 CD LYS A 54 4.251 5.879 8.790 1.00 0.00 C ATOM 759 CE LYS A 54 3.137 6.903 8.562 1.00 0.00 C ATOM 760 NZ LYS A 54 3.086 7.870 9.681 1.00 0.00 N ATOM 0 H LYS A 54 5.061 0.630 9.928 1.00 0.00 H new ATOM 0 HA LYS A 54 3.685 2.819 11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.649 3.678 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.631 3.252 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.754 4.608 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.962 5.185 10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.146 6.385 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.514 5.406 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.307 7.432 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.178 6.392 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.325 8.558 9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.902 7.363 10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.995 8.370 9.750 1.00 0.00 H new ATOM 774 N THR A 55 1.629 1.983 10.398 1.00 0.00 N ATOM 775 CA THR A 55 0.374 1.451 9.895 1.00 0.00 C ATOM 776 C THR A 55 -0.527 2.585 9.405 1.00 0.00 C ATOM 777 O THR A 55 -0.527 3.675 9.975 1.00 0.00 O ATOM 778 CB THR A 55 -0.259 0.607 11.003 1.00 0.00 C ATOM 779 OG1 THR A 55 0.558 -0.559 11.062 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.640 0.074 10.616 1.00 0.00 C ATOM 0 H THR A 55 1.547 2.533 11.253 1.00 0.00 H new ATOM 0 HA THR A 55 0.535 0.809 9.029 1.00 0.00 H new ATOM 0 HB THR A 55 -0.341 1.204 11.911 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.219 -1.161 11.757 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.045 -0.518 11.437 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.308 0.910 10.408 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.553 -0.550 9.727 1.00 0.00 H new ATOM 788 N GLY A 56 -1.275 2.290 8.351 1.00 0.00 N ATOM 789 CA GLY A 56 -2.180 3.272 7.777 1.00 0.00 C ATOM 790 C GLY A 56 -3.096 2.629 6.734 1.00 0.00 C ATOM 791 O GLY A 56 -3.183 1.405 6.649 1.00 0.00 O ATOM 0 H GLY A 56 -1.273 1.385 7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.782 3.723 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.606 4.076 7.316 1.00 0.00 H new ATOM 795 N LEU A 57 -3.756 3.483 5.966 1.00 0.00 N ATOM 796 CA LEU A 57 -4.662 3.014 4.932 1.00 0.00 C ATOM 797 C LEU A 57 -3.881 2.799 3.634 1.00 0.00 C ATOM 798 O LEU A 57 -2.973 3.566 3.318 1.00 0.00 O ATOM 799 CB LEU A 57 -5.848 3.970 4.785 1.00 0.00 C ATOM 800 CG LEU A 57 -6.724 4.148 6.026 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.894 5.091 5.741 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.196 2.795 6.563 1.00 0.00 C ATOM 0 H LEU A 57 -3.681 4.498 6.039 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.091 2.051 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.467 4.948 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.477 3.614 3.969 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.120 4.611 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.501 5.200 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.511 6.066 5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.506 4.680 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.817 2.950 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.777 2.282 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.331 2.188 6.830 1.00 0.00 H new ATOM 814 N ILE A 58 -4.263 1.752 2.917 1.00 0.00 N ATOM 815 CA ILE A 58 -3.609 1.427 1.661 1.00 0.00 C ATOM 816 C ILE A 58 -4.671 1.141 0.598 1.00 0.00 C ATOM 817 O ILE A 58 -5.681 0.498 0.881 1.00 0.00 O ATOM 818 CB ILE A 58 -2.612 0.283 1.857 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.623 0.605 2.979 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.900 -0.053 0.545 1.00 0.00 C ATOM 821 CD1 ILE A 58 -1.021 -0.675 3.562 1.00 0.00 C ATOM 0 H ILE A 58 -5.017 1.118 3.182 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.022 2.274 1.306 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.166 -0.606 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.827 1.244 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.129 1.164 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.197 -0.869 0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.635 -0.354 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.360 0.824 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.321 -0.419 4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.817 -1.300 3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.495 -1.220 2.778 1.00 0.00 H new ATOM 833 N PRO A 59 -4.401 1.646 -0.636 1.00 0.00 N ATOM 834 CA PRO A 59 -5.321 1.451 -1.743 1.00 0.00 C ATOM 835 C PRO A 59 -5.245 0.018 -2.274 1.00 0.00 C ATOM 836 O PRO A 59 -4.214 -0.397 -2.803 1.00 0.00 O ATOM 837 CB PRO A 59 -4.919 2.490 -2.776 1.00 0.00 C ATOM 838 CG PRO A 59 -3.506 2.915 -2.412 1.00 0.00 C ATOM 839 CD PRO A 59 -3.215 2.412 -1.008 1.00 0.00 C ATOM 0 HA PRO A 59 -6.363 1.581 -1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.954 2.074 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.599 3.341 -2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.789 2.503 -3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.410 4.000 -2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.320 1.791 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.045 3.239 -0.318 1.00 0.00 H new ATOM 847 N GLU A 60 -6.348 -0.698 -2.116 1.00 0.00 N ATOM 848 CA GLU A 60 -6.419 -2.075 -2.573 1.00 0.00 C ATOM 849 C GLU A 60 -6.198 -2.144 -4.086 1.00 0.00 C ATOM 850 O GLU A 60 -5.814 -3.187 -4.614 1.00 0.00 O ATOM 851 CB GLU A 60 -7.753 -2.714 -2.184 1.00 0.00 C ATOM 852 CG GLU A 60 -8.061 -3.923 -3.070 1.00 0.00 C ATOM 853 CD GLU A 60 -9.015 -4.890 -2.366 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.962 -4.932 -1.118 1.00 0.00 O ATOM 855 OE2 GLU A 60 -9.777 -5.565 -3.092 1.00 0.00 O ATOM 0 H GLU A 60 -7.201 -0.350 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.627 -2.641 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.721 -3.023 -1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.553 -1.979 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.504 -3.588 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.135 -4.439 -3.322 1.00 0.00 H new ATOM 862 N ASN A 61 -6.450 -1.020 -4.740 1.00 0.00 N ATOM 863 CA ASN A 61 -6.284 -0.940 -6.181 1.00 0.00 C ATOM 864 C ASN A 61 -4.840 -0.550 -6.503 1.00 0.00 C ATOM 865 O ASN A 61 -4.540 -0.131 -7.620 1.00 0.00 O ATOM 866 CB ASN A 61 -7.205 0.122 -6.784 1.00 0.00 C ATOM 867 CG ASN A 61 -6.793 1.525 -6.334 1.00 0.00 C ATOM 868 OD1 ASN A 61 -6.004 2.203 -6.973 1.00 0.00 O ATOM 869 ND2 ASN A 61 -7.368 1.922 -5.203 1.00 0.00 N ATOM 0 H ASN A 61 -6.768 -0.157 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.532 -1.914 -6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.173 0.061 -7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.235 -0.072 -6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.158 2.844 -4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.020 1.305 -4.718 1.00 0.00 H new ATOM 876 N TYR A 62 -3.983 -0.703 -5.504 1.00 0.00 N ATOM 877 CA TYR A 62 -2.577 -0.372 -5.666 1.00 0.00 C ATOM 878 C TYR A 62 -1.686 -1.434 -5.020 1.00 0.00 C ATOM 879 O TYR A 62 -0.478 -1.242 -4.892 1.00 0.00 O ATOM 880 CB TYR A 62 -2.371 0.960 -4.941 1.00 0.00 C ATOM 881 CG TYR A 62 -2.017 2.124 -5.868 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.840 2.435 -6.932 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.874 2.864 -5.641 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.506 3.531 -7.804 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.541 3.960 -6.514 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.373 4.239 -7.552 1.00 0.00 C ATOM 887 OH TYR A 62 -1.058 5.275 -8.376 1.00 0.00 O ATOM 0 H TYR A 62 -4.235 -1.052 -4.579 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.315 -0.318 -6.723 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.280 1.208 -4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.577 0.842 -4.204 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.734 1.856 -7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.230 2.621 -4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.141 3.785 -8.640 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.350 4.547 -6.348 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.223 5.690 -8.075 1.00 0.00 H new ATOM 897 N VAL A 63 -2.317 -2.532 -4.629 1.00 0.00 N ATOM 898 CA VAL A 63 -1.596 -3.625 -3.999 1.00 0.00 C ATOM 899 C VAL A 63 -1.954 -4.937 -4.699 1.00 0.00 C ATOM 900 O VAL A 63 -2.854 -4.972 -5.536 1.00 0.00 O ATOM 901 CB VAL A 63 -1.890 -3.649 -2.497 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.264 -2.441 -1.797 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.395 -3.716 -2.234 1.00 0.00 C ATOM 0 H VAL A 63 -3.319 -2.688 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.520 -3.484 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.437 -4.549 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.488 -2.482 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.184 -2.456 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.674 -1.523 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.576 -3.732 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.880 -2.843 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.803 -4.621 -2.684 1.00 0.00 H new ATOM 913 N GLU A 64 -1.230 -5.984 -4.331 1.00 0.00 N ATOM 914 CA GLU A 64 -1.460 -7.295 -4.913 1.00 0.00 C ATOM 915 C GLU A 64 -1.018 -8.392 -3.943 1.00 0.00 C ATOM 916 O GLU A 64 0.133 -8.823 -3.970 1.00 0.00 O ATOM 917 CB GLU A 64 -0.743 -7.431 -6.258 1.00 0.00 C ATOM 918 CG GLU A 64 -0.523 -8.902 -6.616 1.00 0.00 C ATOM 919 CD GLU A 64 -0.742 -9.142 -8.111 1.00 0.00 C ATOM 920 OE1 GLU A 64 -1.914 -9.052 -8.535 1.00 0.00 O ATOM 921 OE2 GLU A 64 0.269 -9.409 -8.797 1.00 0.00 O ATOM 0 H GLU A 64 -0.484 -5.951 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.529 -7.408 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.331 -6.947 -7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.217 -6.916 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.489 -9.199 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.206 -9.526 -6.040 1.00 0.00 H new ATOM 928 N PHE A 65 -1.957 -8.812 -3.108 1.00 0.00 N ATOM 929 CA PHE A 65 -1.679 -9.851 -2.130 1.00 0.00 C ATOM 930 C PHE A 65 -0.770 -10.930 -2.721 1.00 0.00 C ATOM 931 O PHE A 65 -0.959 -11.351 -3.861 1.00 0.00 O ATOM 932 CB PHE A 65 -3.021 -10.481 -1.753 1.00 0.00 C ATOM 933 CG PHE A 65 -3.872 -9.621 -0.817 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.694 -9.701 0.529 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.806 -8.777 -1.330 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.483 -8.903 1.398 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.596 -7.979 -0.461 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.418 -8.059 0.885 1.00 0.00 C ATOM 0 H PHE A 65 -2.911 -8.452 -3.088 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.174 -9.422 -1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.587 -10.678 -2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.837 -11.445 -1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.952 -10.372 0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.947 -8.713 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.341 -8.966 2.467 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.338 -7.309 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.019 -7.452 1.546 1.00 0.00 H new ATOM 948 N LEU A 66 0.198 -11.348 -1.918 1.00 0.00 N ATOM 949 CA LEU A 66 1.137 -12.370 -2.347 1.00 0.00 C ATOM 950 C LEU A 66 0.686 -13.729 -1.808 1.00 0.00 C ATOM 951 O LEU A 66 0.981 -14.077 -0.666 1.00 0.00 O ATOM 952 CB LEU A 66 2.563 -11.991 -1.943 1.00 0.00 C ATOM 953 CG LEU A 66 2.944 -10.520 -2.126 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.585 -9.957 -0.856 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.841 -10.335 -3.352 1.00 0.00 C ATOM 0 H LEU A 66 0.352 -10.997 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 66 1.148 -12.445 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.705 -12.255 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.257 -12.600 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 66 2.032 -9.950 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.846 -8.910 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.881 -10.035 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.486 -10.524 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.097 -9.281 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.753 -10.919 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.313 -10.673 -4.244 1.00 0.00 H new