USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 TYR OH : rot 150:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 77:sc= -0.746 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 30:sc= -0.855 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.034) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 35 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -8.5! C(o=-8.5!,f=-21!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.299) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.44 K(o=-2.4,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 137 N TYR A 12 4.360 -1.426 -10.811 1.00 0.00 N ATOM 138 CA TYR A 12 5.096 -0.701 -9.782 1.00 0.00 C ATOM 139 C TYR A 12 6.260 0.076 -10.389 1.00 0.00 C ATOM 140 O TYR A 12 6.820 -0.299 -11.419 1.00 0.00 O ATOM 141 CB TYR A 12 5.615 -1.671 -8.719 1.00 0.00 C ATOM 142 CG TYR A 12 4.527 -2.493 -8.066 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.257 -1.966 -7.864 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.769 -3.797 -7.652 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.261 -2.714 -7.267 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.777 -4.553 -7.055 1.00 0.00 C ATOM 147 CZ TYR A 12 2.525 -4.006 -6.865 1.00 0.00 C ATOM 148 OH TYR A 12 1.535 -4.755 -6.271 1.00 0.00 O ATOM 0 HA TYR A 12 4.414 0.009 -9.315 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.341 -2.343 -9.176 1.00 0.00 H new ATOM 0 HB3 TYR A 12 6.143 -1.106 -7.950 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.045 -0.955 -8.179 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.749 -4.227 -7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.280 -2.289 -7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.981 -5.565 -6.739 1.00 0.00 H new ATOM 0 HH TYR A 12 1.675 -5.703 -6.475 1.00 0.00 H new ATOM 158 N PRO A 13 6.634 1.186 -9.736 1.00 0.00 N ATOM 159 CA PRO A 13 5.974 1.642 -8.509 1.00 0.00 C ATOM 160 C PRO A 13 4.560 2.152 -8.766 1.00 0.00 C ATOM 161 O PRO A 13 4.223 2.541 -9.886 1.00 0.00 O ATOM 162 CB PRO A 13 6.873 2.782 -8.025 1.00 0.00 C ATOM 163 CG PRO A 13 7.548 3.281 -9.257 1.00 0.00 C ATOM 164 CD PRO A 13 7.729 2.081 -10.145 1.00 0.00 C ATOM 0 HA PRO A 13 5.858 0.835 -7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.291 3.569 -7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.598 2.430 -7.291 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.946 4.044 -9.750 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.508 3.738 -9.018 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.658 2.347 -11.200 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.704 1.616 -9.999 1.00 0.00 H new ATOM 172 N LEU A 14 3.736 2.149 -7.724 1.00 0.00 N ATOM 173 CA LEU A 14 2.357 2.612 -7.838 1.00 0.00 C ATOM 174 C LEU A 14 1.977 3.486 -6.647 1.00 0.00 C ATOM 175 O LEU A 14 2.556 3.369 -5.566 1.00 0.00 O ATOM 176 CB LEU A 14 1.404 1.419 -7.935 1.00 0.00 C ATOM 177 CG LEU A 14 1.155 0.872 -9.340 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.539 -0.517 -9.271 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.259 1.816 -10.129 1.00 0.00 C ATOM 0 H LEU A 14 3.998 1.831 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 14 2.274 3.210 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.800 0.612 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.446 1.709 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 14 2.113 0.797 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.369 -0.890 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.216 -1.190 -8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.410 -0.468 -8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.092 1.410 -11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.697 1.923 -9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.739 2.791 -10.209 1.00 0.00 H new ATOM 191 N THR A 15 0.997 4.361 -6.851 1.00 0.00 N ATOM 192 CA THR A 15 0.538 5.254 -5.794 1.00 0.00 C ATOM 193 C THR A 15 -0.914 4.971 -5.428 1.00 0.00 C ATOM 194 O THR A 15 -1.808 5.074 -6.269 1.00 0.00 O ATOM 195 CB THR A 15 0.672 6.731 -6.210 1.00 0.00 C ATOM 196 OG1 THR A 15 1.845 6.910 -7.011 1.00 0.00 O ATOM 197 CG2 THR A 15 0.745 7.633 -4.987 1.00 0.00 C ATOM 0 H THR A 15 0.506 4.470 -7.738 1.00 0.00 H new ATOM 0 HA THR A 15 1.171 5.069 -4.926 1.00 0.00 H new ATOM 0 HB THR A 15 -0.209 7.003 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.922 7.851 -7.273 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.839 8.671 -5.306 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.162 7.516 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.610 7.359 -4.384 1.00 0.00 H new ATOM 205 N CYS A 16 -1.143 4.616 -4.169 1.00 0.00 N ATOM 206 CA CYS A 16 -2.489 4.318 -3.691 1.00 0.00 C ATOM 207 C CYS A 16 -2.950 5.362 -2.679 1.00 0.00 C ATOM 208 O CYS A 16 -2.157 6.176 -2.205 1.00 0.00 O ATOM 209 CB CYS A 16 -2.531 2.925 -3.060 1.00 0.00 C ATOM 210 SG CYS A 16 -1.152 2.578 -1.944 1.00 0.00 S ATOM 0 H CYS A 16 -0.415 4.527 -3.460 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.166 4.343 -4.545 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.466 2.815 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.538 2.178 -3.854 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.349 3.182 -0.810 1.00 0.00 H new ATOM 216 N LYS A 17 -4.238 5.334 -2.354 1.00 0.00 N ATOM 217 CA LYS A 17 -4.807 6.278 -1.399 1.00 0.00 C ATOM 218 C LYS A 17 -5.515 5.544 -0.265 1.00 0.00 C ATOM 219 O LYS A 17 -6.590 4.976 -0.455 1.00 0.00 O ATOM 220 CB LYS A 17 -5.788 7.218 -2.103 1.00 0.00 C ATOM 221 CG LYS A 17 -6.597 8.079 -1.148 1.00 0.00 C ATOM 222 CD LYS A 17 -5.826 9.319 -0.727 1.00 0.00 C ATOM 223 CE LYS A 17 -6.763 10.443 -0.311 1.00 0.00 C ATOM 224 NZ LYS A 17 -6.033 11.722 -0.094 1.00 0.00 N ATOM 0 H LYS A 17 -4.908 4.668 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.992 6.864 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.234 7.866 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.471 6.627 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.531 8.375 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.861 7.496 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.162 9.072 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.197 9.655 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.523 10.585 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.283 10.162 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.706 12.463 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.324 11.594 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.557 12.004 -0.975 1.00 0.00 H new ATOM 238 N VAL A 18 -4.905 5.561 0.916 1.00 0.00 N ATOM 239 CA VAL A 18 -5.478 4.899 2.082 1.00 0.00 C ATOM 240 C VAL A 18 -6.858 5.460 2.409 1.00 0.00 C ATOM 241 O VAL A 18 -6.990 6.614 2.816 1.00 0.00 O ATOM 242 CB VAL A 18 -4.569 5.050 3.317 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.184 4.353 4.521 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.180 4.503 3.025 1.00 0.00 C ATOM 0 H VAL A 18 -4.014 6.026 1.090 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.568 3.842 1.833 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.475 6.110 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.528 4.470 5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.155 4.796 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.310 3.293 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.551 4.618 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.252 3.447 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.740 5.052 2.192 1.00 0.00 H new ATOM 254 N VAL A 19 -7.884 4.634 2.229 1.00 0.00 N ATOM 255 CA VAL A 19 -9.255 5.047 2.506 1.00 0.00 C ATOM 256 C VAL A 19 -9.715 4.543 3.869 1.00 0.00 C ATOM 257 O VAL A 19 -10.481 5.212 4.563 1.00 0.00 O ATOM 258 CB VAL A 19 -10.225 4.531 1.426 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.262 5.485 0.242 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.831 3.131 0.981 1.00 0.00 C ATOM 0 H VAL A 19 -7.792 3.675 1.893 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.265 6.137 2.502 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.226 4.483 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.952 5.104 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.596 6.467 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.265 5.568 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.527 2.782 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.822 3.150 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.862 2.455 1.836 1.00 0.00 H new ATOM 270 N TYR A 20 -9.241 3.361 4.248 1.00 0.00 N ATOM 271 CA TYR A 20 -9.606 2.767 5.528 1.00 0.00 C ATOM 272 C TYR A 20 -8.383 2.625 6.430 1.00 0.00 C ATOM 273 O TYR A 20 -7.555 1.735 6.237 1.00 0.00 O ATOM 274 CB TYR A 20 -10.256 1.399 5.313 1.00 0.00 C ATOM 275 CG TYR A 20 -11.726 1.475 4.969 1.00 0.00 C ATOM 276 CD1 TYR A 20 -12.146 1.919 3.721 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.695 1.100 5.891 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.488 1.991 3.403 1.00 0.00 C ATOM 279 CE2 TYR A 20 -14.040 1.167 5.581 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.431 1.613 4.336 1.00 0.00 C ATOM 281 OH TYR A 20 -15.769 1.682 4.023 1.00 0.00 O ATOM 0 H TYR A 20 -8.604 2.796 3.687 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.321 3.429 6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.731 0.878 4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.133 0.802 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.410 2.213 2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.392 0.750 6.867 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.797 2.341 2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.781 0.872 6.309 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.300 1.379 4.789 1.00 0.00 H new ATOM 291 N SER A 21 -8.279 3.509 7.418 1.00 0.00 N ATOM 292 CA SER A 21 -7.157 3.486 8.349 1.00 0.00 C ATOM 293 C SER A 21 -6.909 2.072 8.865 1.00 0.00 C ATOM 294 O SER A 21 -7.842 1.285 9.029 1.00 0.00 O ATOM 295 CB SER A 21 -7.422 4.430 9.523 1.00 0.00 C ATOM 296 OG SER A 21 -6.565 4.141 10.614 1.00 0.00 O ATOM 0 H SER A 21 -8.958 4.250 7.594 1.00 0.00 H new ATOM 0 HA SER A 21 -6.267 3.821 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.275 5.462 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.461 4.339 9.839 1.00 0.00 H new ATOM 0 HG SER A 21 -6.753 4.759 11.351 1.00 0.00 H new ATOM 302 N TYR A 22 -5.644 1.755 9.120 1.00 0.00 N ATOM 303 CA TYR A 22 -5.271 0.436 9.615 1.00 0.00 C ATOM 304 C TYR A 22 -4.090 0.529 10.576 1.00 0.00 C ATOM 305 O TYR A 22 -2.994 0.941 10.195 1.00 0.00 O ATOM 306 CB TYR A 22 -4.922 -0.490 8.448 1.00 0.00 C ATOM 307 CG TYR A 22 -4.046 -1.657 8.843 1.00 0.00 C ATOM 308 CD1 TYR A 22 -4.567 -2.736 9.546 1.00 0.00 C ATOM 309 CD2 TYR A 22 -2.697 -1.682 8.511 1.00 0.00 C ATOM 310 CE1 TYR A 22 -3.770 -3.805 9.909 1.00 0.00 C ATOM 311 CE2 TYR A 22 -1.892 -2.747 8.869 1.00 0.00 C ATOM 312 CZ TYR A 22 -2.434 -3.805 9.568 1.00 0.00 C ATOM 313 OH TYR A 22 -1.637 -4.868 9.926 1.00 0.00 O ATOM 0 H TYR A 22 -4.860 2.394 8.992 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.124 0.024 10.155 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.844 -0.871 8.009 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.416 0.088 7.675 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.613 -2.739 9.814 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.270 -0.855 7.964 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.191 -4.635 10.456 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.845 -2.751 8.603 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.177 -5.685 9.961 1.00 0.00 H new ATOM 323 N LYS A 23 -4.321 0.141 11.826 1.00 0.00 N ATOM 324 CA LYS A 23 -3.277 0.178 12.844 1.00 0.00 C ATOM 325 C LYS A 23 -2.411 -1.076 12.780 1.00 0.00 C ATOM 326 O LYS A 23 -2.859 -2.169 13.125 1.00 0.00 O ATOM 327 CB LYS A 23 -3.899 0.311 14.236 1.00 0.00 C ATOM 328 CG LYS A 23 -3.016 1.048 15.228 1.00 0.00 C ATOM 329 CD LYS A 23 -2.093 0.095 15.968 1.00 0.00 C ATOM 330 CE LYS A 23 -1.448 0.766 17.171 1.00 0.00 C ATOM 331 NZ LYS A 23 -0.456 1.799 16.765 1.00 0.00 N ATOM 0 H LYS A 23 -5.222 -0.203 12.158 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.645 1.045 12.651 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.851 0.835 14.151 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.116 -0.684 14.625 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.423 1.796 14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.640 1.582 15.945 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.657 -0.778 16.296 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.318 -0.262 15.290 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.220 1.227 17.787 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.956 0.013 17.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.039 2.233 17.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.295 1.355 16.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.930 2.532 16.199 1.00 0.00 H new ATOM 345 N ALA A 24 -1.169 -0.910 12.338 1.00 0.00 N ATOM 346 CA ALA A 24 -0.239 -2.028 12.233 1.00 0.00 C ATOM 347 C ALA A 24 -0.034 -2.700 13.586 1.00 0.00 C ATOM 348 O ALA A 24 0.245 -2.035 14.584 1.00 0.00 O ATOM 349 CB ALA A 24 1.092 -1.555 11.668 1.00 0.00 C ATOM 0 H ALA A 24 -0.783 -0.012 12.047 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.668 -2.764 11.553 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.777 -2.400 11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.936 -1.128 10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.518 -0.798 12.326 1.00 0.00 H new ATOM 355 N SER A 25 -0.174 -4.021 13.613 1.00 0.00 N ATOM 356 CA SER A 25 -0.008 -4.783 14.845 1.00 0.00 C ATOM 357 C SER A 25 1.385 -5.400 14.919 1.00 0.00 C ATOM 358 O SER A 25 1.933 -5.591 16.004 1.00 0.00 O ATOM 359 CB SER A 25 -1.070 -5.881 14.938 1.00 0.00 C ATOM 360 OG SER A 25 -2.375 -5.338 14.835 1.00 0.00 O ATOM 0 H SER A 25 -0.402 -4.586 12.795 1.00 0.00 H new ATOM 0 HA SER A 25 -0.128 -4.099 15.685 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.913 -6.611 14.144 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.967 -6.412 15.885 1.00 0.00 H new ATOM 0 HG SER A 25 -3.035 -6.060 14.896 1.00 0.00 H new ATOM 366 N GLN A 26 1.951 -5.709 13.756 1.00 0.00 N ATOM 367 CA GLN A 26 3.280 -6.305 13.689 1.00 0.00 C ATOM 368 C GLN A 26 4.326 -5.261 13.315 1.00 0.00 C ATOM 369 O GLN A 26 4.035 -4.264 12.653 1.00 0.00 O ATOM 370 CB GLN A 26 3.298 -7.449 12.674 1.00 0.00 C ATOM 371 CG GLN A 26 2.561 -8.692 13.144 1.00 0.00 C ATOM 372 CD GLN A 26 3.331 -9.463 14.199 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.147 -9.250 15.398 1.00 0.00 O ATOM 374 NE2 GLN A 26 4.199 -10.365 13.756 1.00 0.00 N ATOM 0 H GLN A 26 1.510 -5.557 12.849 1.00 0.00 H new ATOM 0 HA GLN A 26 3.524 -6.700 14.675 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.852 -7.103 11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.333 -7.712 12.454 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.590 -8.404 13.547 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.372 -9.342 12.290 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.319 -10.508 12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.746 -10.915 14.419 1.00 0.00 H new ATOM 383 N PRO A 27 5.575 -5.492 13.748 1.00 0.00 N ATOM 384 CA PRO A 27 6.690 -4.582 13.470 1.00 0.00 C ATOM 385 C PRO A 27 7.094 -4.592 12.000 1.00 0.00 C ATOM 386 O PRO A 27 7.873 -3.749 11.555 1.00 0.00 O ATOM 387 CB PRO A 27 7.823 -5.133 14.340 1.00 0.00 C ATOM 388 CG PRO A 27 7.495 -6.575 14.519 1.00 0.00 C ATOM 389 CD PRO A 27 5.993 -6.659 14.543 1.00 0.00 C ATOM 0 HA PRO A 27 6.433 -3.545 13.687 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.792 -5.004 13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.873 -4.616 15.298 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.906 -7.173 13.705 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.922 -6.960 15.445 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.635 -7.592 14.107 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.604 -6.613 15.560 1.00 0.00 H new ATOM 397 N ASP A 28 6.558 -5.549 11.251 1.00 0.00 N ATOM 398 CA ASP A 28 6.862 -5.668 9.830 1.00 0.00 C ATOM 399 C ASP A 28 5.835 -4.915 8.990 1.00 0.00 C ATOM 400 O ASP A 28 6.109 -4.533 7.853 1.00 0.00 O ATOM 401 CB ASP A 28 6.899 -7.140 9.415 1.00 0.00 C ATOM 402 CG ASP A 28 8.261 -7.769 9.633 1.00 0.00 C ATOM 403 OD1 ASP A 28 8.567 -8.133 10.787 1.00 0.00 O ATOM 404 OD2 ASP A 28 9.020 -7.896 8.650 1.00 0.00 O ATOM 0 H ASP A 28 5.911 -6.254 11.604 1.00 0.00 H new ATOM 0 HA ASP A 28 7.843 -5.225 9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.151 -7.694 9.983 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.627 -7.225 8.363 1.00 0.00 H new ATOM 409 N GLU A 29 4.651 -4.708 9.558 1.00 0.00 N ATOM 410 CA GLU A 29 3.582 -4.003 8.860 1.00 0.00 C ATOM 411 C GLU A 29 3.860 -2.504 8.813 1.00 0.00 C ATOM 412 O GLU A 29 4.753 -2.004 9.498 1.00 0.00 O ATOM 413 CB GLU A 29 2.238 -4.263 9.544 1.00 0.00 C ATOM 414 CG GLU A 29 1.503 -5.477 9.001 1.00 0.00 C ATOM 415 CD GLU A 29 2.116 -6.785 9.463 1.00 0.00 C ATOM 416 OE1 GLU A 29 3.352 -6.833 9.632 1.00 0.00 O ATOM 417 OE2 GLU A 29 1.360 -7.760 9.655 1.00 0.00 O ATOM 0 H GLU A 29 4.408 -5.018 10.499 1.00 0.00 H new ATOM 0 HA GLU A 29 3.540 -4.379 7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.404 -4.397 10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.605 -3.383 9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.460 -5.437 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.508 -5.443 7.912 1.00 0.00 H new ATOM 424 N LEU A 30 3.089 -1.791 7.999 1.00 0.00 N ATOM 425 CA LEU A 30 3.251 -0.347 7.861 1.00 0.00 C ATOM 426 C LEU A 30 1.996 0.388 8.319 1.00 0.00 C ATOM 427 O LEU A 30 0.956 0.335 7.661 1.00 0.00 O ATOM 428 CB LEU A 30 3.565 0.013 6.408 1.00 0.00 C ATOM 429 CG LEU A 30 4.426 1.260 6.197 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.626 2.518 6.497 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.674 1.199 7.067 1.00 0.00 C ATOM 0 H LEU A 30 2.346 -2.189 7.425 1.00 0.00 H new ATOM 0 HA LEU A 30 4.082 -0.037 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.070 -0.835 5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.623 0.152 5.877 1.00 0.00 H new ATOM 0 HG LEU A 30 4.736 1.292 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.255 3.395 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.763 2.568 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.286 2.495 7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.275 2.094 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.384 1.143 8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.258 0.317 6.804 1.00 0.00 H new ATOM 443 N THR A 31 2.099 1.077 9.452 1.00 0.00 N ATOM 444 CA THR A 31 0.974 1.824 9.998 1.00 0.00 C ATOM 445 C THR A 31 0.470 2.864 9.003 1.00 0.00 C ATOM 446 O THR A 31 1.179 3.815 8.673 1.00 0.00 O ATOM 447 CB THR A 31 1.353 2.530 11.313 1.00 0.00 C ATOM 448 OG1 THR A 31 1.934 1.589 12.224 1.00 0.00 O ATOM 449 CG2 THR A 31 0.133 3.175 11.953 1.00 0.00 C ATOM 0 H THR A 31 2.952 1.132 10.009 1.00 0.00 H new ATOM 0 HA THR A 31 0.182 1.102 10.197 1.00 0.00 H new ATOM 0 HB THR A 31 2.079 3.311 11.084 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.174 2.046 13.057 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.426 3.667 12.880 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.290 3.911 11.269 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.612 2.409 12.169 1.00 0.00 H new ATOM 457 N ILE A 32 -0.758 2.677 8.530 1.00 0.00 N ATOM 458 CA ILE A 32 -1.356 3.601 7.575 1.00 0.00 C ATOM 459 C ILE A 32 -2.572 4.300 8.173 1.00 0.00 C ATOM 460 O ILE A 32 -3.133 3.845 9.169 1.00 0.00 O ATOM 461 CB ILE A 32 -1.778 2.879 6.281 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.962 1.949 6.554 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.606 2.099 5.704 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.411 1.171 5.337 1.00 0.00 C ATOM 0 H ILE A 32 -1.357 1.895 8.793 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.594 4.343 7.336 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.088 3.625 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.689 1.248 7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.799 2.539 6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.919 1.594 4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.211 2.784 5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.269 1.359 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.253 0.533 5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.715 1.865 4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.588 0.554 4.976 1.00 0.00 H new ATOM 476 N GLU A 33 -2.975 5.407 7.557 1.00 0.00 N ATOM 477 CA GLU A 33 -4.126 6.167 8.029 1.00 0.00 C ATOM 478 C GLU A 33 -4.853 6.834 6.864 1.00 0.00 C ATOM 479 O GLU A 33 -4.238 7.193 5.861 1.00 0.00 O ATOM 480 CB GLU A 33 -3.685 7.225 9.042 1.00 0.00 C ATOM 481 CG GLU A 33 -3.689 6.731 10.479 1.00 0.00 C ATOM 482 CD GLU A 33 -2.813 7.572 11.388 1.00 0.00 C ATOM 483 OE1 GLU A 33 -1.738 8.013 10.931 1.00 0.00 O ATOM 484 OE2 GLU A 33 -3.202 7.788 12.554 1.00 0.00 O ATOM 0 H GLU A 33 -2.522 5.797 6.731 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.813 5.474 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.681 7.565 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.344 8.089 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.711 6.737 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.345 5.697 10.505 1.00 0.00 H new ATOM 491 N GLU A 34 -6.164 6.995 7.007 1.00 0.00 N ATOM 492 CA GLU A 34 -6.975 7.617 5.966 1.00 0.00 C ATOM 493 C GLU A 34 -6.332 8.912 5.478 1.00 0.00 C ATOM 494 O GLU A 34 -5.658 9.608 6.238 1.00 0.00 O ATOM 495 CB GLU A 34 -8.385 7.898 6.487 1.00 0.00 C ATOM 496 CG GLU A 34 -9.387 8.216 5.390 1.00 0.00 C ATOM 497 CD GLU A 34 -10.797 8.390 5.920 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.507 7.373 6.064 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.191 9.544 6.191 1.00 0.00 O ATOM 0 H GLU A 34 -6.688 6.704 7.833 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.038 6.924 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.736 7.031 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.345 8.734 7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.081 9.127 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.377 7.415 4.651 1.00 0.00 H new ATOM 506 N HIS A 35 -6.546 9.228 4.205 1.00 0.00 N ATOM 507 CA HIS A 35 -5.989 10.440 3.614 1.00 0.00 C ATOM 508 C HIS A 35 -4.464 10.397 3.624 1.00 0.00 C ATOM 509 O HIS A 35 -3.807 11.403 3.893 1.00 0.00 O ATOM 510 CB HIS A 35 -6.480 11.674 4.371 1.00 0.00 C ATOM 511 CG HIS A 35 -7.958 11.678 4.615 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.883 11.372 3.639 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.670 11.951 5.733 1.00 0.00 C ATOM 514 CE1 HIS A 35 -10.100 11.458 4.146 1.00 0.00 C ATOM 515 NE2 HIS A 35 -9.998 11.808 5.416 1.00 0.00 N ATOM 0 H HIS A 35 -7.101 8.662 3.563 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.327 10.499 2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.962 11.733 5.328 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.211 12.567 3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.268 12.230 6.696 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.021 11.274 3.613 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.779 11.949 6.057 1.00 0.00 H new ATOM 524 N GLU A 36 -3.907 9.226 3.329 1.00 0.00 N ATOM 525 CA GLU A 36 -2.460 9.053 3.306 1.00 0.00 C ATOM 526 C GLU A 36 -2.017 8.346 2.029 1.00 0.00 C ATOM 527 O GLU A 36 -2.140 7.127 1.906 1.00 0.00 O ATOM 528 CB GLU A 36 -1.999 8.257 4.529 1.00 0.00 C ATOM 529 CG GLU A 36 -0.490 8.107 4.625 1.00 0.00 C ATOM 530 CD GLU A 36 -0.071 7.062 5.641 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.417 5.878 5.449 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.602 7.429 6.626 1.00 0.00 O ATOM 0 H GLU A 36 -4.436 8.384 3.103 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.002 10.042 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.365 8.748 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.453 7.266 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.093 7.837 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.050 9.067 4.894 1.00 0.00 H new ATOM 539 N VAL A 37 -1.501 9.120 1.079 1.00 0.00 N ATOM 540 CA VAL A 37 -1.038 8.569 -0.189 1.00 0.00 C ATOM 541 C VAL A 37 0.290 7.840 -0.020 1.00 0.00 C ATOM 542 O VAL A 37 1.294 8.438 0.369 1.00 0.00 O ATOM 543 CB VAL A 37 -0.876 9.670 -1.254 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.373 9.078 -2.562 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.190 10.407 -1.463 1.00 0.00 C ATOM 0 H VAL A 37 -1.393 10.131 1.164 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.797 7.861 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.136 10.388 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.265 9.871 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.593 8.601 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.086 8.338 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.057 11.181 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.953 9.703 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.503 10.866 -0.525 1.00 0.00 H new ATOM 555 N LEU A 38 0.290 6.545 -0.316 1.00 0.00 N ATOM 556 CA LEU A 38 1.496 5.733 -0.198 1.00 0.00 C ATOM 557 C LEU A 38 2.046 5.371 -1.574 1.00 0.00 C ATOM 558 O LEU A 38 1.443 5.693 -2.597 1.00 0.00 O ATOM 559 CB LEU A 38 1.201 4.460 0.598 1.00 0.00 C ATOM 560 CG LEU A 38 0.501 4.656 1.943 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.264 3.401 2.334 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.509 5.026 3.020 1.00 0.00 C ATOM 0 H LEU A 38 -0.532 6.035 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 38 2.249 6.318 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.584 3.805 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.142 3.939 0.774 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.211 5.475 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.756 3.559 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.014 3.180 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.428 2.563 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.993 5.162 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.246 4.229 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.012 5.953 2.745 1.00 0.00 H new ATOM 574 N GLU A 39 3.192 4.697 -1.589 1.00 0.00 N ATOM 575 CA GLU A 39 3.821 4.290 -2.840 1.00 0.00 C ATOM 576 C GLU A 39 4.146 2.799 -2.825 1.00 0.00 C ATOM 577 O GLU A 39 5.109 2.368 -2.192 1.00 0.00 O ATOM 578 CB GLU A 39 5.097 5.099 -3.081 1.00 0.00 C ATOM 579 CG GLU A 39 5.625 4.994 -4.502 1.00 0.00 C ATOM 580 CD GLU A 39 6.830 5.882 -4.744 1.00 0.00 C ATOM 581 OE1 GLU A 39 6.989 6.879 -4.008 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.614 5.581 -5.668 1.00 0.00 O ATOM 0 H GLU A 39 3.703 4.422 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 39 3.118 4.483 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.902 6.147 -2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.868 4.760 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.894 3.958 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.833 5.264 -5.201 1.00 0.00 H new ATOM 589 N VAL A 40 3.333 2.016 -3.528 1.00 0.00 N ATOM 590 CA VAL A 40 3.533 0.574 -3.598 1.00 0.00 C ATOM 591 C VAL A 40 4.740 0.227 -4.462 1.00 0.00 C ATOM 592 O VAL A 40 4.736 0.459 -5.672 1.00 0.00 O ATOM 593 CB VAL A 40 2.290 -0.139 -4.161 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.500 -1.645 -4.181 1.00 0.00 C ATOM 595 CG2 VAL A 40 1.055 0.225 -3.351 1.00 0.00 C ATOM 0 H VAL A 40 2.530 2.357 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 40 3.709 0.230 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 40 2.135 0.195 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.611 -2.131 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.359 -1.884 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.682 -2.001 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.186 -0.288 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.198 -0.078 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.895 1.302 -3.395 1.00 0.00 H new ATOM 605 N ILE A 41 5.770 -0.330 -3.835 1.00 0.00 N ATOM 606 CA ILE A 41 6.983 -0.710 -4.548 1.00 0.00 C ATOM 607 C ILE A 41 7.032 -2.216 -4.786 1.00 0.00 C ATOM 608 O ILE A 41 7.589 -2.679 -5.781 1.00 0.00 O ATOM 609 CB ILE A 41 8.246 -0.283 -3.778 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.280 -0.948 -2.400 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.297 1.232 -3.642 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.436 -0.493 -1.537 1.00 0.00 C ATOM 0 H ILE A 41 5.789 -0.528 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 41 6.960 -0.193 -5.507 1.00 0.00 H new ATOM 0 HB ILE A 41 9.122 -0.608 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.345 -0.737 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.337 -2.029 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.196 1.518 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.315 1.686 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.417 1.578 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.396 -1.006 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.377 -0.728 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.369 0.583 -1.377 1.00 0.00 H new ATOM 624 N GLU A 42 6.443 -2.974 -3.867 1.00 0.00 N ATOM 625 CA GLU A 42 6.419 -4.428 -3.978 1.00 0.00 C ATOM 626 C GLU A 42 5.016 -4.970 -3.719 1.00 0.00 C ATOM 627 O GLU A 42 4.137 -4.248 -3.248 1.00 0.00 O ATOM 628 CB GLU A 42 7.409 -5.054 -2.994 1.00 0.00 C ATOM 629 CG GLU A 42 8.807 -5.226 -3.564 1.00 0.00 C ATOM 630 CD GLU A 42 8.990 -6.557 -4.267 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.309 -7.530 -3.883 1.00 0.00 O ATOM 632 OE2 GLU A 42 9.815 -6.624 -5.202 1.00 0.00 O ATOM 0 H GLU A 42 5.976 -2.606 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 42 6.711 -4.694 -4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.464 -4.431 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.031 -6.027 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.011 -4.417 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.537 -5.141 -2.759 1.00 0.00 H new ATOM 639 N ASP A 43 4.814 -6.246 -4.030 1.00 0.00 N ATOM 640 CA ASP A 43 3.519 -6.886 -3.831 1.00 0.00 C ATOM 641 C ASP A 43 3.449 -7.555 -2.461 1.00 0.00 C ATOM 642 O ASP A 43 2.774 -8.569 -2.288 1.00 0.00 O ATOM 643 CB ASP A 43 3.262 -7.918 -4.930 1.00 0.00 C ATOM 644 CG ASP A 43 4.532 -8.615 -5.378 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.190 -9.254 -4.531 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.867 -8.521 -6.578 1.00 0.00 O ATOM 0 H ASP A 43 5.531 -6.857 -4.421 1.00 0.00 H new ATOM 0 HA ASP A 43 2.749 -6.116 -3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.552 -8.661 -4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.800 -7.426 -5.786 1.00 0.00 H new ATOM 651 N GLY A 44 4.151 -6.979 -1.490 1.00 0.00 N ATOM 652 CA GLY A 44 4.156 -7.534 -0.149 1.00 0.00 C ATOM 653 C GLY A 44 4.630 -8.973 -0.118 1.00 0.00 C ATOM 654 O GLY A 44 5.116 -9.495 -1.122 1.00 0.00 O ATOM 0 H GLY A 44 4.716 -6.138 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.800 -6.929 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.151 -7.477 0.268 1.00 0.00 H new ATOM 714 N TRP A 49 -1.548 -8.845 0.230 1.00 0.00 N ATOM 715 CA TRP A 49 -0.794 -7.782 0.885 1.00 0.00 C ATOM 716 C TRP A 49 0.235 -7.179 -0.064 1.00 0.00 C ATOM 717 O TRP A 49 0.716 -7.846 -0.980 1.00 0.00 O ATOM 718 CB TRP A 49 -0.097 -8.320 2.137 1.00 0.00 C ATOM 719 CG TRP A 49 -1.046 -8.645 3.251 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.962 -9.658 3.278 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.172 -7.953 4.498 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.650 -9.637 4.467 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.184 -8.602 5.233 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.528 -6.851 5.066 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.565 -8.182 6.505 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -0.907 -6.435 6.328 1.00 0.00 C ATOM 727 CH2 TRP A 49 -1.917 -7.100 7.037 1.00 0.00 C ATOM 0 HA TRP A 49 -1.495 -7.000 1.175 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.465 -9.216 1.875 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.625 -7.582 2.488 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.122 -10.370 2.482 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.389 -10.287 4.736 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.252 -6.333 4.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.344 -8.692 7.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.417 -5.583 6.776 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.189 -6.752 8.022 1.00 0.00 H new ATOM 738 N VAL A 50 0.570 -5.912 0.160 1.00 0.00 N ATOM 739 CA VAL A 50 1.543 -5.219 -0.676 1.00 0.00 C ATOM 740 C VAL A 50 2.501 -4.388 0.170 1.00 0.00 C ATOM 741 O VAL A 50 2.258 -4.153 1.354 1.00 0.00 O ATOM 742 CB VAL A 50 0.851 -4.300 -1.700 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.006 -5.117 -2.666 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.003 -3.255 -0.990 1.00 0.00 C ATOM 0 H VAL A 50 0.182 -5.345 0.914 1.00 0.00 H new ATOM 0 HA VAL A 50 2.105 -5.986 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 50 1.619 -3.783 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.475 -4.451 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.643 -5.823 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.756 -5.663 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.479 -2.614 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.759 -3.752 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.638 -2.649 -0.343 1.00 0.00 H new ATOM 754 N LYS A 51 3.592 -3.945 -0.445 1.00 0.00 N ATOM 755 CA LYS A 51 4.588 -3.137 0.250 1.00 0.00 C ATOM 756 C LYS A 51 4.556 -1.693 -0.239 1.00 0.00 C ATOM 757 O LYS A 51 4.708 -1.428 -1.431 1.00 0.00 O ATOM 758 CB LYS A 51 5.986 -3.726 0.044 1.00 0.00 C ATOM 759 CG LYS A 51 6.933 -3.463 1.201 1.00 0.00 C ATOM 760 CD LYS A 51 8.291 -4.103 0.967 1.00 0.00 C ATOM 761 CE LYS A 51 8.984 -4.437 2.279 1.00 0.00 C ATOM 762 NZ LYS A 51 10.467 -4.407 2.146 1.00 0.00 N ATOM 0 H LYS A 51 3.809 -4.132 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 51 4.349 -3.146 1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.899 -4.802 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.415 -3.311 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.055 -2.388 1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.500 -3.853 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.169 -5.012 0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.918 -3.427 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.674 -3.726 3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.669 -5.425 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.902 -4.640 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.766 -5.103 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.770 -3.457 1.850 1.00 0.00 H new ATOM 776 N ALA A 52 4.357 -0.763 0.689 1.00 0.00 N ATOM 777 CA ALA A 52 4.308 0.654 0.352 1.00 0.00 C ATOM 778 C ALA A 52 5.193 1.472 1.287 1.00 0.00 C ATOM 779 O ALA A 52 5.497 1.044 2.400 1.00 0.00 O ATOM 780 CB ALA A 52 2.874 1.160 0.403 1.00 0.00 C ATOM 0 H ALA A 52 4.227 -0.966 1.680 1.00 0.00 H new ATOM 0 HA ALA A 52 4.688 0.774 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.853 2.220 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.266 0.604 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.474 1.019 1.407 1.00 0.00 H new ATOM 786 N ARG A 53 5.604 2.649 0.826 1.00 0.00 N ATOM 787 CA ARG A 53 6.456 3.525 1.621 1.00 0.00 C ATOM 788 C ARG A 53 5.754 4.849 1.912 1.00 0.00 C ATOM 789 O ARG A 53 5.346 5.560 0.995 1.00 0.00 O ATOM 790 CB ARG A 53 7.777 3.785 0.894 1.00 0.00 C ATOM 791 CG ARG A 53 8.771 4.596 1.708 1.00 0.00 C ATOM 792 CD ARG A 53 9.865 5.182 0.829 1.00 0.00 C ATOM 793 NE ARG A 53 9.414 6.373 0.114 1.00 0.00 N ATOM 794 CZ ARG A 53 10.229 7.186 -0.547 1.00 0.00 C ATOM 795 NH1 ARG A 53 11.531 6.937 -0.585 1.00 0.00 N ATOM 796 NH2 ARG A 53 9.743 8.251 -1.173 1.00 0.00 N ATOM 0 H ARG A 53 5.361 3.018 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 53 6.663 3.027 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.231 2.830 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.571 4.309 -0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.248 5.401 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.218 3.962 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.728 5.434 1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.194 4.431 0.111 1.00 0.00 H new ATOM 0 HE ARG A 53 8.418 6.592 0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.908 6.119 -0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.155 7.563 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.742 8.446 -1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.371 8.875 -1.680 1.00 0.00 H new ATOM 810 N ASN A 54 5.617 5.171 3.194 1.00 0.00 N ATOM 811 CA ASN A 54 4.964 6.408 3.605 1.00 0.00 C ATOM 812 C ASN A 54 5.917 7.593 3.482 1.00 0.00 C ATOM 813 O ASN A 54 7.041 7.453 3.001 1.00 0.00 O ATOM 814 CB ASN A 54 4.463 6.290 5.046 1.00 0.00 C ATOM 815 CG ASN A 54 5.448 5.567 5.943 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.533 5.180 5.508 1.00 0.00 O ATOM 817 ND2 ASN A 54 5.074 5.380 7.204 1.00 0.00 N ATOM 0 H ASN A 54 5.949 4.593 3.966 1.00 0.00 H new ATOM 0 HA ASN A 54 4.114 6.578 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.276 7.287 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.511 5.759 5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.695 4.899 7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.165 5.717 7.522 1.00 0.00 H new ATOM 824 N LYS A 55 5.459 8.761 3.921 1.00 0.00 N ATOM 825 CA LYS A 55 6.270 9.972 3.862 1.00 0.00 C ATOM 826 C LYS A 55 7.506 9.842 4.746 1.00 0.00 C ATOM 827 O LYS A 55 8.580 10.338 4.406 1.00 0.00 O ATOM 828 CB LYS A 55 5.444 11.185 4.296 1.00 0.00 C ATOM 829 CG LYS A 55 5.162 11.226 5.788 1.00 0.00 C ATOM 830 CD LYS A 55 6.261 11.954 6.544 1.00 0.00 C ATOM 831 CE LYS A 55 5.745 12.545 7.846 1.00 0.00 C ATOM 832 NZ LYS A 55 6.675 13.570 8.397 1.00 0.00 N ATOM 0 H LYS A 55 4.530 8.895 4.322 1.00 0.00 H new ATOM 0 HA LYS A 55 6.595 10.112 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.971 12.095 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.497 11.182 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.208 11.722 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.069 10.209 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.078 11.263 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.669 12.748 5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.767 12.995 7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.608 11.748 8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.288 13.949 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.601 13.135 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.786 14.343 7.710 1.00 0.00 H new ATOM 846 N VAL A 56 7.347 9.172 5.883 1.00 0.00 N ATOM 847 CA VAL A 56 8.451 8.975 6.815 1.00 0.00 C ATOM 848 C VAL A 56 9.538 8.099 6.202 1.00 0.00 C ATOM 849 O VAL A 56 10.623 7.953 6.764 1.00 0.00 O ATOM 850 CB VAL A 56 7.969 8.331 8.128 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.124 9.313 8.926 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.190 7.056 7.842 1.00 0.00 C ATOM 0 H VAL A 56 6.464 8.757 6.181 1.00 0.00 H new ATOM 0 HA VAL A 56 8.862 9.961 7.032 1.00 0.00 H new ATOM 0 HB VAL A 56 8.842 8.070 8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.792 8.840 9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.718 10.196 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.255 9.608 8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.857 6.614 8.781 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.323 7.290 7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.831 6.349 7.315 1.00 0.00 H new ATOM 862 N GLY A 57 9.240 7.518 5.044 1.00 0.00 N ATOM 863 CA GLY A 57 10.202 6.664 4.372 1.00 0.00 C ATOM 864 C GLY A 57 10.109 5.220 4.823 1.00 0.00 C ATOM 865 O GLY A 57 10.734 4.339 4.235 1.00 0.00 O ATOM 0 H GLY A 57 8.349 7.624 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.040 6.716 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.209 7.037 4.561 1.00 0.00 H new ATOM 869 N GLN A 58 9.328 4.978 5.871 1.00 0.00 N ATOM 870 CA GLN A 58 9.158 3.630 6.401 1.00 0.00 C ATOM 871 C GLN A 58 8.556 2.704 5.350 1.00 0.00 C ATOM 872 O GLN A 58 7.838 3.148 4.454 1.00 0.00 O ATOM 873 CB GLN A 58 8.267 3.657 7.645 1.00 0.00 C ATOM 874 CG GLN A 58 9.039 3.838 8.942 1.00 0.00 C ATOM 875 CD GLN A 58 9.607 2.535 9.469 1.00 0.00 C ATOM 876 OE1 GLN A 58 8.960 1.831 10.245 1.00 0.00 O ATOM 877 NE2 GLN A 58 10.823 2.206 9.049 1.00 0.00 N ATOM 0 H GLN A 58 8.803 5.697 6.369 1.00 0.00 H new ATOM 0 HA GLN A 58 10.141 3.248 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.544 4.467 7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.700 2.727 7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.852 4.546 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.381 4.274 9.694 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.324 2.819 8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.256 1.340 9.370 1.00 0.00 H new ATOM 886 N VAL A 59 8.853 1.413 5.466 1.00 0.00 N ATOM 887 CA VAL A 59 8.341 0.423 4.526 1.00 0.00 C ATOM 888 C VAL A 59 7.859 -0.827 5.253 1.00 0.00 C ATOM 889 O VAL A 59 8.589 -1.414 6.051 1.00 0.00 O ATOM 890 CB VAL A 59 9.411 0.023 3.493 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.806 -0.861 2.413 1.00 0.00 C ATOM 892 CG2 VAL A 59 10.051 1.261 2.883 1.00 0.00 C ATOM 0 H VAL A 59 9.446 1.029 6.202 1.00 0.00 H new ATOM 0 HA VAL A 59 7.501 0.884 4.007 1.00 0.00 H new ATOM 0 HB VAL A 59 10.188 -0.547 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.577 -1.134 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.399 -1.764 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.008 -0.320 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.805 0.960 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.286 1.859 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.521 1.852 3.669 1.00 0.00 H new ATOM 902 N GLY A 60 6.624 -1.231 4.971 1.00 0.00 N ATOM 903 CA GLY A 60 6.065 -2.410 5.606 1.00 0.00 C ATOM 904 C GLY A 60 4.941 -3.026 4.798 1.00 0.00 C ATOM 905 O GLY A 60 4.598 -2.534 3.723 1.00 0.00 O ATOM 0 H GLY A 60 6.000 -0.762 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.853 -3.150 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.693 -2.144 6.596 1.00 0.00 H new ATOM 909 N TYR A 61 4.366 -4.106 5.315 1.00 0.00 N ATOM 910 CA TYR A 61 3.276 -4.793 4.632 1.00 0.00 C ATOM 911 C TYR A 61 1.925 -4.217 5.045 1.00 0.00 C ATOM 912 O TYR A 61 1.658 -4.018 6.230 1.00 0.00 O ATOM 913 CB TYR A 61 3.319 -6.291 4.938 1.00 0.00 C ATOM 914 CG TYR A 61 4.617 -6.955 4.536 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.145 -6.779 3.263 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.316 -7.756 5.430 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.330 -7.384 2.891 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.502 -8.364 5.068 1.00 0.00 C ATOM 919 CZ TYR A 61 7.005 -8.175 3.797 1.00 0.00 C ATOM 920 OH TYR A 61 8.186 -8.779 3.431 1.00 0.00 O ATOM 0 H TYR A 61 4.636 -4.525 6.205 1.00 0.00 H new ATOM 0 HA TYR A 61 3.402 -4.644 3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.160 -6.440 6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.494 -6.782 4.422 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.620 -6.158 2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.925 -7.906 6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.725 -7.238 1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.033 -8.984 5.776 1.00 0.00 H new ATOM 0 HH TYR A 61 8.534 -9.300 4.184 1.00 0.00 H new ATOM 930 N VAL A 62 1.076 -3.951 4.057 1.00 0.00 N ATOM 931 CA VAL A 62 -0.248 -3.399 4.316 1.00 0.00 C ATOM 932 C VAL A 62 -1.313 -4.117 3.493 1.00 0.00 C ATOM 933 O VAL A 62 -1.055 -4.614 2.397 1.00 0.00 O ATOM 934 CB VAL A 62 -0.300 -1.892 3.999 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.772 -1.146 4.779 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.145 -1.657 2.504 1.00 0.00 C ATOM 0 H VAL A 62 1.282 -4.109 3.071 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.451 -3.547 5.377 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.273 -1.506 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.721 -0.083 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.610 -1.289 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.755 -1.531 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.184 -0.587 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.813 -2.056 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.953 -2.159 1.971 1.00 0.00 H new ATOM 946 N PRO A 63 -2.539 -4.172 4.033 1.00 0.00 N ATOM 947 CA PRO A 63 -3.669 -4.826 3.365 1.00 0.00 C ATOM 948 C PRO A 63 -4.138 -4.058 2.134 1.00 0.00 C ATOM 949 O PRO A 63 -4.358 -2.849 2.193 1.00 0.00 O ATOM 950 CB PRO A 63 -4.760 -4.833 4.439 1.00 0.00 C ATOM 951 CG PRO A 63 -4.419 -3.691 5.333 1.00 0.00 C ATOM 952 CD PRO A 63 -2.918 -3.600 5.336 1.00 0.00 C ATOM 0 HA PRO A 63 -3.407 -5.818 2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.750 -4.709 3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.770 -5.775 4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.865 -2.765 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.802 -3.856 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.578 -2.569 5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.483 -4.161 6.163 1.00 0.00 H new ATOM 960 N GLU A 64 -4.290 -4.769 1.021 1.00 0.00 N ATOM 961 CA GLU A 64 -4.733 -4.152 -0.224 1.00 0.00 C ATOM 962 C GLU A 64 -6.227 -3.842 -0.176 1.00 0.00 C ATOM 963 O GLU A 64 -6.682 -2.838 -0.723 1.00 0.00 O ATOM 964 CB GLU A 64 -4.430 -5.070 -1.410 1.00 0.00 C ATOM 965 CG GLU A 64 -4.480 -4.364 -2.754 1.00 0.00 C ATOM 966 CD GLU A 64 -5.882 -4.300 -3.327 1.00 0.00 C ATOM 967 OE1 GLU A 64 -6.726 -5.128 -2.925 1.00 0.00 O ATOM 968 OE2 GLU A 64 -6.136 -3.422 -4.178 1.00 0.00 O ATOM 0 H GLU A 64 -4.113 -5.771 0.956 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.189 -3.216 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.441 -5.508 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.145 -5.892 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.090 -3.352 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.827 -4.882 -3.457 1.00 0.00 H new ATOM 975 N LYS A 65 -6.985 -4.712 0.484 1.00 0.00 N ATOM 976 CA LYS A 65 -8.426 -4.533 0.605 1.00 0.00 C ATOM 977 C LYS A 65 -8.758 -3.151 1.158 1.00 0.00 C ATOM 978 O LYS A 65 -9.831 -2.607 0.894 1.00 0.00 O ATOM 979 CB LYS A 65 -9.021 -5.613 1.512 1.00 0.00 C ATOM 980 CG LYS A 65 -8.345 -5.706 2.870 1.00 0.00 C ATOM 981 CD LYS A 65 -8.735 -6.981 3.600 1.00 0.00 C ATOM 982 CE LYS A 65 -9.994 -6.784 4.431 1.00 0.00 C ATOM 983 NZ LYS A 65 -11.226 -7.085 3.652 1.00 0.00 N ATOM 0 H LYS A 65 -6.624 -5.548 0.943 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.862 -4.622 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.082 -5.410 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.946 -6.578 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.263 -5.675 2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.619 -4.841 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.896 -7.781 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.916 -7.296 4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.954 -7.428 5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.034 -5.756 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.005 -7.305 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.482 -6.259 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.054 -7.902 3.032 1.00 0.00 H new ATOM 997 N TYR A 66 -7.832 -2.588 1.926 1.00 0.00 N ATOM 998 CA TYR A 66 -8.027 -1.269 2.517 1.00 0.00 C ATOM 999 C TYR A 66 -7.362 -0.189 1.669 1.00 0.00 C ATOM 1000 O TYR A 66 -7.645 1.000 1.823 1.00 0.00 O ATOM 1001 CB TYR A 66 -7.464 -1.236 3.939 1.00 0.00 C ATOM 1002 CG TYR A 66 -8.319 -1.972 4.945 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -9.693 -1.773 4.996 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.752 -2.865 5.846 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -10.478 -2.443 5.915 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.529 -3.540 6.767 1.00 0.00 C ATOM 1007 CZ TYR A 66 -9.892 -3.326 6.798 1.00 0.00 C ATOM 1008 OH TYR A 66 -10.669 -3.995 7.715 1.00 0.00 O ATOM 0 H TYR A 66 -6.939 -3.024 2.154 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.098 -1.069 2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.465 -1.672 3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.358 -0.198 4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.155 -1.083 4.306 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.686 -3.034 5.826 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.545 -2.276 5.942 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.072 -4.232 7.459 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.102 -4.579 8.261 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.476 -0.610 0.773 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.770 0.320 -0.101 1.00 0.00 C ATOM 1020 C LEU A 67 -6.594 0.629 -1.346 1.00 0.00 C ATOM 1021 O LEU A 67 -7.422 -0.177 -1.769 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.413 -0.259 -0.504 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.306 -0.170 0.546 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -2.007 -0.748 0.004 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -3.106 1.272 0.989 1.00 0.00 C ATOM 0 H LEU A 67 -6.229 -1.590 0.633 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.613 1.249 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.552 -1.307 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.074 0.254 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.607 -0.758 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.231 -0.676 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.158 -1.794 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.701 -0.189 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.314 1.316 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.828 1.882 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.033 1.652 1.419 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.360 1.800 -1.929 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.080 2.215 -3.127 1.00 0.00 C ATOM 1039 C GLN A 68 -6.119 2.435 -4.291 1.00 0.00 C ATOM 1040 O GLN A 68 -5.516 3.501 -4.419 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.871 3.495 -2.855 1.00 0.00 C ATOM 1042 CG GLN A 68 -9.045 3.698 -3.799 1.00 0.00 C ATOM 1043 CD GLN A 68 -8.652 4.424 -5.071 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -7.469 4.545 -5.390 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -9.646 4.911 -5.805 1.00 0.00 N ATOM 0 H GLN A 68 -5.677 2.478 -1.591 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.773 1.419 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.240 3.473 -1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.200 4.350 -2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.472 2.728 -4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.824 4.264 -3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.612 4.787 -5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.443 5.409 -6.672 1.00 0.00 H new ATOM 1054 N PHE A 69 -5.981 1.420 -5.138 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.092 1.502 -6.291 1.00 0.00 C ATOM 1056 C PHE A 69 -5.742 2.291 -7.424 1.00 0.00 C ATOM 1057 O PHE A 69 -6.964 2.415 -7.506 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.723 0.099 -6.778 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.668 -0.568 -5.942 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.790 -0.621 -4.562 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.554 -1.140 -6.535 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.821 -1.234 -3.790 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.583 -1.755 -5.768 1.00 0.00 C ATOM 1064 CZ PHE A 69 -1.715 -1.801 -4.394 1.00 0.00 C ATOM 0 H PHE A 69 -6.473 0.531 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.185 2.022 -5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.618 -0.523 -6.782 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.373 0.161 -7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.652 -0.178 -4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.443 -1.105 -7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.928 -1.270 -2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.721 -2.200 -6.243 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.956 -2.279 -3.793 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.906 2.838 -8.318 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.375 3.625 -9.462 1.00 0.00 C ATOM 1076 C PRO A 70 -6.085 2.766 -10.504 1.00 0.00 C ATOM 1077 O PRO A 70 -5.925 1.546 -10.532 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.086 4.213 -10.042 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.016 3.265 -9.623 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.438 2.731 -8.282 1.00 0.00 C ATOM 0 HA PRO A 70 -6.107 4.377 -9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.141 4.293 -11.128 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.900 5.216 -9.657 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.904 2.458 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.052 3.769 -9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.114 1.700 -8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.013 3.314 -7.465 1.00 0.00 H new