USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 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 26 GLN : amide:sc= 0.266 K(o=0.054,f=-1.6) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.212 K(o=0.054,f=-2.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 9:sc= 0.564 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -159:sc= 0 (180deg=-0.403) USER MOD Single : A 21 ASN : amide:sc= -1.48 K(o=-1.5,f=-7.3!) USER MOD Single : A 23 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.032) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 86:sc= -1.57 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.00775 K(o=0.0077,f=-1.2) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 54:sc= 0.107 USER MOD Single : A 59 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.233 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.494 7.067 -3.520 1.00 0.00 N ATOM 131 CA LYS A 10 55.081 6.148 -4.548 1.00 0.00 C ATOM 132 C LYS A 10 56.317 5.440 -3.979 1.00 0.00 C ATOM 133 O LYS A 10 57.234 6.068 -3.484 1.00 0.00 O ATOM 134 CB LYS A 10 55.469 7.046 -5.735 1.00 0.00 C ATOM 135 CG LYS A 10 54.853 6.498 -7.026 1.00 0.00 C ATOM 136 CD LYS A 10 55.533 7.146 -8.233 1.00 0.00 C ATOM 137 CE LYS A 10 54.763 8.403 -8.638 1.00 0.00 C ATOM 138 NZ LYS A 10 55.808 9.374 -9.066 1.00 0.00 N ATOM 0 HA LYS A 10 54.378 5.372 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.123 8.065 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 10 56.554 7.090 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 10 54.972 5.415 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 10 53.782 6.702 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 10 56.564 7.401 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 10 55.567 6.443 -9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.064 8.194 -9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.179 8.794 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.356 10.264 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 56.455 9.559 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 56.343 8.978 -9.865 1.00 0.00 H new ATOM 152 N VAL A 11 56.345 4.135 -4.056 1.00 0.00 N ATOM 153 CA VAL A 11 57.515 3.356 -3.536 1.00 0.00 C ATOM 154 C VAL A 11 57.600 2.025 -4.274 1.00 0.00 C ATOM 155 O VAL A 11 56.621 1.541 -4.800 1.00 0.00 O ATOM 156 CB VAL A 11 57.259 3.120 -2.041 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.408 4.438 -1.283 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.855 2.547 -1.825 1.00 0.00 C ATOM 0 H VAL A 11 55.601 3.567 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 11 58.453 3.890 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 11 57.988 2.402 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.226 4.270 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.418 4.825 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.687 5.161 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.688 2.385 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.113 3.249 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.763 1.599 -2.355 1.00 0.00 H new ATOM 168 N VAL A 12 58.760 1.432 -4.322 1.00 0.00 N ATOM 169 CA VAL A 12 58.914 0.133 -5.041 1.00 0.00 C ATOM 170 C VAL A 12 58.791 -1.026 -4.027 1.00 0.00 C ATOM 171 O VAL A 12 58.627 -0.808 -2.845 1.00 0.00 O ATOM 172 CB VAL A 12 60.325 0.250 -5.694 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.189 -1.009 -5.522 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.171 0.517 -7.187 1.00 0.00 C ATOM 0 H VAL A 12 59.613 1.791 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 12 58.155 -0.072 -5.796 1.00 0.00 H new ATOM 0 HB VAL A 12 60.830 1.069 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.156 -0.855 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.337 -1.206 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.687 -1.860 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.156 0.599 -7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.623 -0.304 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.623 1.447 -7.336 1.00 0.00 H new ATOM 184 N ALA A 13 58.883 -2.248 -4.490 1.00 0.00 N ATOM 185 CA ALA A 13 58.789 -3.420 -3.570 1.00 0.00 C ATOM 186 C ALA A 13 60.059 -4.271 -3.679 1.00 0.00 C ATOM 187 O ALA A 13 60.526 -4.558 -4.765 1.00 0.00 O ATOM 188 CB ALA A 13 57.579 -4.212 -4.059 1.00 0.00 C ATOM 0 H ALA A 13 59.020 -2.484 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 13 58.687 -3.121 -2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.443 -5.093 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.688 -3.586 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.741 -4.523 -5.091 1.00 0.00 H new ATOM 194 N LEU A 14 60.617 -4.674 -2.566 1.00 0.00 N ATOM 195 CA LEU A 14 61.857 -5.506 -2.607 1.00 0.00 C ATOM 196 C LEU A 14 61.505 -6.994 -2.563 1.00 0.00 C ATOM 197 O LEU A 14 61.661 -7.706 -3.536 1.00 0.00 O ATOM 198 CB LEU A 14 62.653 -5.105 -1.362 1.00 0.00 C ATOM 199 CG LEU A 14 63.094 -3.644 -1.482 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.780 -3.209 -0.185 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.074 -3.499 -2.650 1.00 0.00 C ATOM 0 H LEU A 14 60.268 -4.463 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 14 62.426 -5.344 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.042 -5.239 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.524 -5.750 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 14 62.221 -3.016 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.094 -2.169 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.083 -3.310 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.652 -3.838 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.388 -2.459 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.947 -4.128 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.586 -3.807 -3.575 1.00 0.00 H new ATOM 213 N TYR A 15 61.033 -7.464 -1.438 1.00 0.00 N ATOM 214 CA TYR A 15 60.671 -8.909 -1.317 1.00 0.00 C ATOM 215 C TYR A 15 59.150 -9.079 -1.319 1.00 0.00 C ATOM 216 O TYR A 15 58.407 -8.116 -1.304 1.00 0.00 O ATOM 217 CB TYR A 15 61.256 -9.359 0.023 1.00 0.00 C ATOM 218 CG TYR A 15 62.759 -9.208 -0.003 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.511 -9.866 -0.984 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.399 -8.411 0.953 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.904 -9.725 -1.009 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.791 -8.271 0.928 1.00 0.00 C ATOM 223 CZ TYR A 15 65.544 -8.928 -0.052 1.00 0.00 C ATOM 224 OH TYR A 15 66.917 -8.791 -0.076 1.00 0.00 O ATOM 0 H TYR A 15 60.882 -6.909 -0.596 1.00 0.00 H new ATOM 0 HA TYR A 15 61.058 -9.498 -2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.835 -8.764 0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.988 -10.397 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.017 -10.482 -1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.819 -7.904 1.710 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.485 -10.231 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.285 -7.656 1.665 1.00 0.00 H new ATOM 0 HH TYR A 15 67.200 -8.204 0.656 1.00 0.00 H new ATOM 234 N ASP A 16 58.687 -10.302 -1.342 1.00 0.00 N ATOM 235 CA ASP A 16 57.215 -10.556 -1.351 1.00 0.00 C ATOM 236 C ASP A 16 56.635 -10.439 0.063 1.00 0.00 C ATOM 237 O ASP A 16 57.344 -10.545 1.045 1.00 0.00 O ATOM 238 CB ASP A 16 57.063 -11.986 -1.875 1.00 0.00 C ATOM 239 CG ASP A 16 57.380 -12.019 -3.371 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.064 -11.053 -4.046 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.933 -13.011 -3.817 1.00 0.00 O ATOM 0 H ASP A 16 59.268 -11.140 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 16 56.681 -9.833 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.734 -12.655 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.048 -12.343 -1.700 1.00 0.00 H new ATOM 246 N TYR A 17 55.347 -10.220 0.165 1.00 0.00 N ATOM 247 CA TYR A 17 54.699 -10.091 1.504 1.00 0.00 C ATOM 248 C TYR A 17 53.171 -10.147 1.336 1.00 0.00 C ATOM 249 O TYR A 17 52.491 -9.141 1.393 1.00 0.00 O ATOM 250 CB TYR A 17 55.181 -8.724 2.036 1.00 0.00 C ATOM 251 CG TYR A 17 54.335 -8.237 3.205 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.845 -9.136 4.164 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.043 -6.872 3.319 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.066 -8.669 5.230 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.264 -6.405 4.384 1.00 0.00 C ATOM 256 CZ TYR A 17 52.775 -7.304 5.339 1.00 0.00 C ATOM 257 OH TYR A 17 52.008 -6.844 6.390 1.00 0.00 O ATOM 0 H TYR A 17 54.714 -10.125 -0.629 1.00 0.00 H new ATOM 0 HA TYR A 17 54.958 -10.891 2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.222 -8.804 2.350 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.146 -7.989 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.069 -10.189 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.420 -6.178 2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 17 52.690 -9.362 5.968 1.00 0.00 H new ATOM 0 HE2 TYR A 17 53.040 -5.352 4.469 1.00 0.00 H new ATOM 0 HH TYR A 17 51.877 -7.566 7.040 1.00 0.00 H new ATOM 267 N MET A 18 52.637 -11.325 1.124 1.00 0.00 N ATOM 268 CA MET A 18 51.159 -11.467 0.945 1.00 0.00 C ATOM 269 C MET A 18 50.416 -11.077 2.238 1.00 0.00 C ATOM 270 O MET A 18 51.023 -11.002 3.288 1.00 0.00 O ATOM 271 CB MET A 18 50.928 -12.947 0.611 1.00 0.00 C ATOM 272 CG MET A 18 51.438 -13.830 1.757 1.00 0.00 C ATOM 273 SD MET A 18 52.119 -15.369 1.089 1.00 0.00 S ATOM 274 CE MET A 18 50.625 -16.374 1.263 1.00 0.00 C ATOM 0 H MET A 18 53.163 -12.197 1.067 1.00 0.00 H new ATOM 0 HA MET A 18 50.782 -10.813 0.159 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.866 -13.129 0.445 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.444 -13.204 -0.314 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.203 -13.299 2.325 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.624 -14.051 2.448 1.00 0.00 H new ATOM 0 HE1 MET A 18 50.822 -17.384 0.903 1.00 0.00 H new ATOM 0 HE2 MET A 18 50.333 -16.413 2.312 1.00 0.00 H new ATOM 0 HE3 MET A 18 49.819 -15.931 0.678 1.00 0.00 H new ATOM 284 N PRO A 19 49.119 -10.831 2.130 1.00 0.00 N ATOM 285 CA PRO A 19 48.324 -10.442 3.320 1.00 0.00 C ATOM 286 C PRO A 19 48.181 -11.624 4.284 1.00 0.00 C ATOM 287 O PRO A 19 48.454 -12.757 3.937 1.00 0.00 O ATOM 288 CB PRO A 19 46.967 -10.065 2.708 1.00 0.00 C ATOM 289 CG PRO A 19 47.045 -10.262 1.181 1.00 0.00 C ATOM 290 CD PRO A 19 48.380 -10.921 0.841 1.00 0.00 C ATOM 0 HA PRO A 19 48.774 -9.638 3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.176 -10.685 3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.720 -9.030 2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.218 -10.884 0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.956 -9.303 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.252 -11.954 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.899 -10.397 0.038 1.00 0.00 H new ATOM 298 N MET A 20 47.748 -11.361 5.490 1.00 0.00 N ATOM 299 CA MET A 20 47.572 -12.457 6.489 1.00 0.00 C ATOM 300 C MET A 20 46.091 -12.581 6.848 1.00 0.00 C ATOM 301 O MET A 20 45.535 -13.663 6.880 1.00 0.00 O ATOM 302 CB MET A 20 48.382 -12.025 7.714 1.00 0.00 C ATOM 303 CG MET A 20 49.848 -11.828 7.319 1.00 0.00 C ATOM 304 SD MET A 20 50.917 -12.229 8.724 1.00 0.00 S ATOM 305 CE MET A 20 50.275 -10.978 9.863 1.00 0.00 C ATOM 0 H MET A 20 47.508 -10.429 5.827 1.00 0.00 H new ATOM 0 HA MET A 20 47.905 -13.424 6.111 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.977 -11.099 8.121 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.304 -12.779 8.498 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.094 -12.464 6.469 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.015 -10.798 7.005 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.011 -10.785 10.643 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.075 -10.056 9.316 1.00 0.00 H new ATOM 0 HE3 MET A 20 49.352 -11.338 10.316 1.00 0.00 H new ATOM 315 N ASN A 21 45.456 -11.471 7.112 1.00 0.00 N ATOM 316 CA ASN A 21 44.006 -11.493 7.466 1.00 0.00 C ATOM 317 C ASN A 21 43.244 -10.488 6.602 1.00 0.00 C ATOM 318 O ASN A 21 42.274 -10.823 5.949 1.00 0.00 O ATOM 319 CB ASN A 21 43.950 -11.087 8.939 1.00 0.00 C ATOM 320 CG ASN A 21 44.476 -12.234 9.805 1.00 0.00 C ATOM 321 OD1 ASN A 21 45.517 -12.795 9.525 1.00 0.00 O ATOM 322 ND2 ASN A 21 43.795 -12.609 10.854 1.00 0.00 N ATOM 0 H ASN A 21 45.881 -10.544 7.098 1.00 0.00 H new ATOM 0 HA ASN A 21 43.552 -12.469 7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.547 -10.190 9.103 1.00 0.00 H new ATOM 0 HB3 ASN A 21 42.926 -10.844 9.222 1.00 0.00 H new ATOM 0 HD21 ASN A 21 44.137 -13.372 11.438 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.921 -12.139 11.090 1.00 0.00 H new ATOM 329 N ALA A 22 43.683 -9.256 6.595 1.00 0.00 N ATOM 330 CA ALA A 22 43.000 -8.207 5.775 1.00 0.00 C ATOM 331 C ALA A 22 43.821 -6.917 5.779 1.00 0.00 C ATOM 332 O ALA A 22 43.945 -6.244 4.773 1.00 0.00 O ATOM 333 CB ALA A 22 41.652 -7.974 6.459 1.00 0.00 C ATOM 0 H ALA A 22 44.490 -8.928 7.125 1.00 0.00 H new ATOM 0 HA ALA A 22 42.883 -8.514 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.093 -7.215 5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.084 -8.904 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.817 -7.637 7.482 1.00 0.00 H new ATOM 339 N ASN A 23 44.370 -6.568 6.910 1.00 0.00 N ATOM 340 CA ASN A 23 45.181 -5.316 7.006 1.00 0.00 C ATOM 341 C ASN A 23 46.363 -5.349 6.054 1.00 0.00 C ATOM 342 O ASN A 23 46.546 -4.469 5.236 1.00 0.00 O ATOM 343 CB ASN A 23 45.714 -5.280 8.430 1.00 0.00 C ATOM 344 CG ASN A 23 44.745 -4.512 9.333 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.391 -4.979 10.396 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.300 -3.344 8.954 1.00 0.00 N ATOM 0 H ASN A 23 44.292 -7.098 7.778 1.00 0.00 H new ATOM 0 HA ASN A 23 44.572 -4.448 6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.845 -6.296 8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.695 -4.805 8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.656 -2.825 9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.597 -2.950 8.061 1.00 0.00 H new ATOM 353 N ASP A 24 47.195 -6.343 6.203 1.00 0.00 N ATOM 354 CA ASP A 24 48.422 -6.446 5.363 1.00 0.00 C ATOM 355 C ASP A 24 48.116 -6.226 3.872 1.00 0.00 C ATOM 356 O ASP A 24 47.132 -6.716 3.352 1.00 0.00 O ATOM 357 CB ASP A 24 48.954 -7.859 5.599 1.00 0.00 C ATOM 358 CG ASP A 24 49.450 -7.985 7.041 1.00 0.00 C ATOM 359 OD1 ASP A 24 48.795 -7.450 7.919 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.476 -8.614 7.241 1.00 0.00 O ATOM 0 H ASP A 24 47.075 -7.097 6.879 1.00 0.00 H new ATOM 0 HA ASP A 24 49.148 -5.679 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.169 -8.591 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.766 -8.074 4.904 1.00 0.00 H new ATOM 365 N LEU A 25 48.959 -5.491 3.194 1.00 0.00 N ATOM 366 CA LEU A 25 48.736 -5.227 1.743 1.00 0.00 C ATOM 367 C LEU A 25 49.532 -6.237 0.911 1.00 0.00 C ATOM 368 O LEU A 25 50.728 -6.377 1.072 1.00 0.00 O ATOM 369 CB LEU A 25 49.250 -3.800 1.519 1.00 0.00 C ATOM 370 CG LEU A 25 48.906 -3.347 0.095 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.456 -2.856 0.044 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.837 -2.204 -0.322 1.00 0.00 C ATOM 0 H LEU A 25 49.796 -5.060 3.586 1.00 0.00 H new ATOM 0 HA LEU A 25 47.691 -5.325 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.801 -3.123 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.328 -3.763 1.673 1.00 0.00 H new ATOM 0 HG LEU A 25 49.031 -4.189 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.216 -2.535 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.787 -3.666 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.332 -2.017 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.590 -1.884 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.713 -1.366 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.871 -2.548 -0.292 1.00 0.00 H new ATOM 384 N GLN A 26 48.871 -6.950 0.034 1.00 0.00 N ATOM 385 CA GLN A 26 49.580 -7.971 -0.804 1.00 0.00 C ATOM 386 C GLN A 26 50.710 -7.329 -1.615 1.00 0.00 C ATOM 387 O GLN A 26 50.518 -6.885 -2.731 1.00 0.00 O ATOM 388 CB GLN A 26 48.509 -8.561 -1.731 1.00 0.00 C ATOM 389 CG GLN A 26 47.862 -7.451 -2.570 1.00 0.00 C ATOM 390 CD GLN A 26 46.374 -7.753 -2.759 1.00 0.00 C ATOM 391 OE1 GLN A 26 45.970 -8.899 -2.763 1.00 0.00 O ATOM 392 NE2 GLN A 26 45.536 -6.766 -2.918 1.00 0.00 N ATOM 0 H GLN A 26 47.869 -6.870 -0.140 1.00 0.00 H new ATOM 0 HA GLN A 26 50.045 -8.740 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 26 48.957 -9.308 -2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.748 -9.071 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.988 -6.487 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.355 -7.379 -3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 26 45.875 -5.804 -2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 26 44.542 -6.956 -3.046 1.00 0.00 H new ATOM 401 N LEU A 27 51.893 -7.291 -1.056 1.00 0.00 N ATOM 402 CA LEU A 27 53.050 -6.696 -1.779 1.00 0.00 C ATOM 403 C LEU A 27 53.721 -7.751 -2.663 1.00 0.00 C ATOM 404 O LEU A 27 53.211 -8.838 -2.853 1.00 0.00 O ATOM 405 CB LEU A 27 54.010 -6.237 -0.677 1.00 0.00 C ATOM 406 CG LEU A 27 53.697 -4.785 -0.285 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.035 -4.746 1.100 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.996 -3.970 -0.254 1.00 0.00 C ATOM 0 H LEU A 27 52.105 -7.649 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 27 52.751 -5.876 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.916 -6.886 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.040 -6.316 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 27 53.015 -4.357 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.817 -3.713 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.108 -5.319 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.710 -5.179 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.773 -2.940 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.680 -4.403 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.460 -3.987 -1.240 1.00 0.00 H new ATOM 420 N ARG A 28 54.866 -7.428 -3.196 1.00 0.00 N ATOM 421 CA ARG A 28 55.607 -8.384 -4.068 1.00 0.00 C ATOM 422 C ARG A 28 57.006 -7.829 -4.337 1.00 0.00 C ATOM 423 O ARG A 28 57.459 -6.933 -3.649 1.00 0.00 O ATOM 424 CB ARG A 28 54.794 -8.492 -5.364 1.00 0.00 C ATOM 425 CG ARG A 28 54.604 -7.108 -5.989 1.00 0.00 C ATOM 426 CD ARG A 28 53.573 -7.199 -7.117 1.00 0.00 C ATOM 427 NE ARG A 28 54.318 -7.770 -8.274 1.00 0.00 N ATOM 428 CZ ARG A 28 53.679 -8.434 -9.197 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.778 -7.835 -9.927 1.00 0.00 N ATOM 430 NH2 ARG A 28 53.940 -9.698 -9.391 1.00 0.00 N ATOM 0 H ARG A 28 55.327 -6.528 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 28 55.725 -9.366 -3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 28 55.305 -9.149 -6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 28 53.823 -8.941 -5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.271 -6.398 -5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 28 55.553 -6.738 -6.377 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.734 -7.835 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.163 -6.218 -7.357 1.00 0.00 H new ATOM 0 HE ARG A 28 55.327 -7.642 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.573 -6.847 -9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 28 52.279 -8.355 -10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 28 54.644 -10.167 -8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 28 53.440 -10.217 -10.113 1.00 0.00 H new ATOM 444 N LYS A 29 57.698 -8.348 -5.319 1.00 0.00 N ATOM 445 CA LYS A 29 59.066 -7.842 -5.610 1.00 0.00 C ATOM 446 C LYS A 29 59.133 -7.222 -7.014 1.00 0.00 C ATOM 447 O LYS A 29 58.656 -7.786 -7.979 1.00 0.00 O ATOM 448 CB LYS A 29 59.985 -9.068 -5.475 1.00 0.00 C ATOM 449 CG LYS A 29 59.768 -10.029 -6.649 1.00 0.00 C ATOM 450 CD LYS A 29 59.867 -11.476 -6.160 1.00 0.00 C ATOM 451 CE LYS A 29 61.320 -11.794 -5.798 1.00 0.00 C ATOM 452 NZ LYS A 29 61.438 -13.271 -5.949 1.00 0.00 N ATOM 0 H LYS A 29 57.373 -9.098 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 29 59.368 -7.048 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 29 61.027 -8.748 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.783 -9.581 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 29 58.791 -9.854 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.513 -9.845 -7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 29 59.224 -11.623 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.516 -12.158 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 29 62.014 -11.273 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.551 -11.481 -4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 62.408 -13.567 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.770 -13.740 -5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.219 -13.538 -6.930 1.00 0.00 H new ATOM 466 N GLY A 30 59.733 -6.067 -7.118 1.00 0.00 N ATOM 467 CA GLY A 30 59.856 -5.387 -8.443 1.00 0.00 C ATOM 468 C GLY A 30 58.664 -4.454 -8.682 1.00 0.00 C ATOM 469 O GLY A 30 58.750 -3.531 -9.469 1.00 0.00 O ATOM 0 H GLY A 30 60.147 -5.560 -6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.784 -4.817 -8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.907 -6.132 -9.237 1.00 0.00 H new ATOM 473 N ASP A 31 57.554 -4.679 -8.017 1.00 0.00 N ATOM 474 CA ASP A 31 56.371 -3.799 -8.218 1.00 0.00 C ATOM 475 C ASP A 31 56.505 -2.548 -7.353 1.00 0.00 C ATOM 476 O ASP A 31 57.472 -2.389 -6.636 1.00 0.00 O ATOM 477 CB ASP A 31 55.166 -4.632 -7.781 1.00 0.00 C ATOM 478 CG ASP A 31 53.907 -4.107 -8.473 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.820 -4.243 -9.682 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.052 -3.577 -7.782 1.00 0.00 O ATOM 0 H ASP A 31 57.422 -5.435 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 31 56.272 -3.467 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.323 -5.680 -8.035 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.048 -4.580 -6.699 1.00 0.00 H new ATOM 485 N GLU A 32 55.545 -1.662 -7.413 1.00 0.00 N ATOM 486 CA GLU A 32 55.620 -0.418 -6.586 1.00 0.00 C ATOM 487 C GLU A 32 54.226 -0.090 -6.046 1.00 0.00 C ATOM 488 O GLU A 32 53.237 -0.634 -6.502 1.00 0.00 O ATOM 489 CB GLU A 32 56.120 0.689 -7.527 1.00 0.00 C ATOM 490 CG GLU A 32 57.340 0.217 -8.327 1.00 0.00 C ATOM 491 CD GLU A 32 56.872 -0.452 -9.621 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.154 0.190 -10.369 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.241 -1.593 -9.842 1.00 0.00 O ATOM 0 H GLU A 32 54.713 -1.745 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 32 56.288 -0.526 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.322 0.979 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.381 1.575 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.988 1.063 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.928 -0.484 -7.735 1.00 0.00 H new ATOM 500 N TYR A 33 54.142 0.760 -5.055 1.00 0.00 N ATOM 501 CA TYR A 33 52.815 1.082 -4.456 1.00 0.00 C ATOM 502 C TYR A 33 52.633 2.590 -4.279 1.00 0.00 C ATOM 503 O TYR A 33 53.400 3.391 -4.777 1.00 0.00 O ATOM 504 CB TYR A 33 52.836 0.424 -3.073 1.00 0.00 C ATOM 505 CG TYR A 33 53.384 -0.985 -3.145 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.568 -2.034 -3.573 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.713 -1.228 -2.788 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.081 -3.332 -3.645 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.228 -2.523 -2.860 1.00 0.00 C ATOM 510 CZ TYR A 33 54.413 -3.576 -3.287 1.00 0.00 C ATOM 511 OH TYR A 33 54.919 -4.855 -3.362 1.00 0.00 O ATOM 0 H TYR A 33 54.936 1.244 -4.636 1.00 0.00 H new ATOM 0 HA TYR A 33 52.004 0.730 -5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.445 1.020 -2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.827 0.404 -2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.541 -1.843 -3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.341 -0.414 -2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.452 -4.145 -3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.255 -2.712 -2.586 1.00 0.00 H new ATOM 0 HH TYR A 33 55.243 -5.026 -4.271 1.00 0.00 H new ATOM 521 N PHE A 34 51.622 2.965 -3.540 1.00 0.00 N ATOM 522 CA PHE A 34 51.357 4.408 -3.269 1.00 0.00 C ATOM 523 C PHE A 34 51.356 4.648 -1.761 1.00 0.00 C ATOM 524 O PHE A 34 50.674 3.967 -1.021 1.00 0.00 O ATOM 525 CB PHE A 34 49.979 4.685 -3.861 1.00 0.00 C ATOM 526 CG PHE A 34 50.136 5.170 -5.282 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.678 4.323 -6.256 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.752 6.472 -5.622 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.832 4.778 -7.571 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.908 6.928 -6.936 1.00 0.00 C ATOM 531 CZ PHE A 34 50.447 6.081 -7.910 1.00 0.00 C ATOM 0 H PHE A 34 50.959 2.322 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 34 52.113 5.062 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.372 3.780 -3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.458 5.434 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.977 3.319 -5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.335 7.125 -4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.248 4.124 -8.324 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.612 7.933 -7.198 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.566 6.432 -8.924 1.00 0.00 H new ATOM 541 N ILE A 35 52.134 5.592 -1.299 1.00 0.00 N ATOM 542 CA ILE A 35 52.205 5.851 0.171 1.00 0.00 C ATOM 543 C ILE A 35 51.276 6.987 0.601 1.00 0.00 C ATOM 544 O ILE A 35 51.283 8.068 0.047 1.00 0.00 O ATOM 545 CB ILE A 35 53.667 6.229 0.446 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.609 5.118 -0.047 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.874 6.440 1.950 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.277 3.787 0.637 1.00 0.00 C ATOM 0 H ILE A 35 52.723 6.194 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 35 51.885 4.974 0.734 1.00 0.00 H new ATOM 0 HB ILE A 35 53.894 7.151 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.519 5.010 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.643 5.392 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.913 6.708 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.223 7.242 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.633 5.520 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.954 3.013 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.391 3.894 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.249 3.506 0.407 1.00 0.00 H new ATOM 560 N LEU A 36 50.504 6.741 1.624 1.00 0.00 N ATOM 561 CA LEU A 36 49.587 7.782 2.166 1.00 0.00 C ATOM 562 C LEU A 36 50.199 8.341 3.456 1.00 0.00 C ATOM 563 O LEU A 36 50.050 9.502 3.785 1.00 0.00 O ATOM 564 CB LEU A 36 48.282 7.039 2.467 1.00 0.00 C ATOM 565 CG LEU A 36 47.716 6.441 1.175 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.101 5.069 1.470 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.639 7.372 0.610 1.00 0.00 C ATOM 0 H LEU A 36 50.470 5.847 2.115 1.00 0.00 H new ATOM 0 HA LEU A 36 49.422 8.614 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.462 6.249 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.558 7.722 2.910 1.00 0.00 H new ATOM 0 HG LEU A 36 48.519 6.329 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.699 4.645 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.867 4.405 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.299 5.179 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.236 6.947 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.837 7.485 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 36 47.076 8.347 0.397 1.00 0.00 H new ATOM 579 N GLU A 37 50.901 7.504 4.173 1.00 0.00 N ATOM 580 CA GLU A 37 51.561 7.925 5.441 1.00 0.00 C ATOM 581 C GLU A 37 52.544 6.827 5.853 1.00 0.00 C ATOM 582 O GLU A 37 52.857 5.955 5.064 1.00 0.00 O ATOM 583 CB GLU A 37 50.429 8.054 6.461 1.00 0.00 C ATOM 584 CG GLU A 37 49.977 9.513 6.541 1.00 0.00 C ATOM 585 CD GLU A 37 49.527 9.831 7.968 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.543 9.255 8.401 1.00 0.00 O ATOM 587 OE2 GLU A 37 50.175 10.647 8.604 1.00 0.00 O ATOM 0 H GLU A 37 51.047 6.525 3.926 1.00 0.00 H new ATOM 0 HA GLU A 37 52.113 8.861 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.592 7.418 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.767 7.713 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.793 10.174 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.159 9.690 5.843 1.00 0.00 H new ATOM 653 N PRO A 42 57.864 1.419 11.193 1.00 0.00 N ATOM 654 CA PRO A 42 58.285 1.087 9.802 1.00 0.00 C ATOM 655 C PRO A 42 57.114 0.595 8.939 1.00 0.00 C ATOM 656 O PRO A 42 57.149 0.712 7.727 1.00 0.00 O ATOM 657 CB PRO A 42 59.330 -0.014 10.017 1.00 0.00 C ATOM 658 CG PRO A 42 59.483 -0.262 11.529 1.00 0.00 C ATOM 659 CD PRO A 42 58.661 0.788 12.285 1.00 0.00 C ATOM 0 HA PRO A 42 58.670 1.951 9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 42 59.022 -0.930 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.285 0.282 9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.141 -1.265 11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.532 -0.200 11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.023 0.335 13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.297 1.512 12.794 1.00 0.00 H new ATOM 667 N TRP A 43 56.079 0.063 9.539 1.00 0.00 N ATOM 668 CA TRP A 43 54.914 -0.413 8.731 1.00 0.00 C ATOM 669 C TRP A 43 54.049 0.790 8.342 1.00 0.00 C ATOM 670 O TRP A 43 53.667 1.583 9.182 1.00 0.00 O ATOM 671 CB TRP A 43 54.147 -1.361 9.651 1.00 0.00 C ATOM 672 CG TRP A 43 55.004 -2.530 9.993 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.862 -2.557 11.022 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.098 -3.830 9.341 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.490 -3.789 11.055 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.050 -4.612 10.037 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.459 -4.402 8.226 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.358 -5.914 9.643 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.766 -5.714 7.827 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.714 -6.467 8.534 1.00 0.00 C ATOM 0 H TRP A 43 55.990 -0.062 10.547 1.00 0.00 H new ATOM 0 HA TRP A 43 55.212 -0.914 7.810 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.848 -0.839 10.560 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.233 -1.698 9.162 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.035 -1.747 11.715 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.191 -4.057 11.746 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.728 -3.830 7.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.089 -6.490 10.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.269 -6.145 6.971 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.946 -7.474 8.221 1.00 0.00 H new ATOM 691 N TRP A 44 53.765 0.946 7.074 1.00 0.00 N ATOM 692 CA TRP A 44 52.955 2.114 6.622 1.00 0.00 C ATOM 693 C TRP A 44 51.524 1.709 6.271 1.00 0.00 C ATOM 694 O TRP A 44 51.091 0.601 6.510 1.00 0.00 O ATOM 695 CB TRP A 44 53.641 2.586 5.339 1.00 0.00 C ATOM 696 CG TRP A 44 55.075 2.955 5.562 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.670 3.239 6.748 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.098 3.093 4.547 1.00 0.00 C ATOM 699 NE1 TRP A 44 57.003 3.538 6.512 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.312 3.462 5.165 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.078 2.930 3.156 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.474 3.663 4.417 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.235 3.130 2.399 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.437 3.498 3.027 1.00 0.00 C ATOM 0 H TRP A 44 54.061 0.312 6.331 1.00 0.00 H new ATOM 0 HA TRP A 44 52.899 2.870 7.405 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.584 1.798 4.588 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.105 3.447 4.939 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.186 3.233 7.714 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.673 3.784 7.241 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.159 2.647 2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.395 3.944 4.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.206 3.001 1.327 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.330 3.653 2.439 1.00 0.00 H new ATOM 715 N ARG A 45 50.814 2.616 5.657 1.00 0.00 N ATOM 716 CA ARG A 45 49.425 2.343 5.207 1.00 0.00 C ATOM 717 C ARG A 45 49.326 2.805 3.750 1.00 0.00 C ATOM 718 O ARG A 45 48.764 3.839 3.447 1.00 0.00 O ATOM 719 CB ARG A 45 48.527 3.187 6.115 1.00 0.00 C ATOM 720 CG ARG A 45 47.165 2.506 6.262 1.00 0.00 C ATOM 721 CD ARG A 45 46.367 3.196 7.369 1.00 0.00 C ATOM 722 NE ARG A 45 44.945 2.846 7.093 1.00 0.00 N ATOM 723 CZ ARG A 45 44.083 2.797 8.071 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.983 3.797 8.904 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.322 1.748 8.218 1.00 0.00 N ATOM 0 H ARG A 45 51.149 3.556 5.445 1.00 0.00 H new ATOM 0 HA ARG A 45 49.138 1.293 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.992 3.308 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.403 4.185 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.618 2.555 5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.298 1.450 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.675 2.847 8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.519 4.275 7.351 1.00 0.00 H new ATOM 0 HE ARG A 45 44.646 2.645 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.579 4.617 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.309 3.758 9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 45 43.401 0.966 7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 45 42.648 1.710 8.983 1.00 0.00 H new ATOM 739 N ALA A 46 49.917 2.055 2.856 1.00 0.00 N ATOM 740 CA ALA A 46 49.928 2.439 1.414 1.00 0.00 C ATOM 741 C ALA A 46 49.019 1.517 0.601 1.00 0.00 C ATOM 742 O ALA A 46 48.564 0.498 1.085 1.00 0.00 O ATOM 743 CB ALA A 46 51.393 2.253 0.987 1.00 0.00 C ATOM 0 H ALA A 46 50.399 1.181 3.068 1.00 0.00 H new ATOM 0 HA ALA A 46 49.565 3.454 1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.501 2.513 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.032 2.900 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.686 1.214 1.136 1.00 0.00 H new ATOM 749 N ARG A 47 48.761 1.864 -0.638 1.00 0.00 N ATOM 750 CA ARG A 47 47.893 1.001 -1.490 1.00 0.00 C ATOM 751 C ARG A 47 48.687 0.476 -2.683 1.00 0.00 C ATOM 752 O ARG A 47 49.724 1.007 -3.030 1.00 0.00 O ATOM 753 CB ARG A 47 46.761 1.900 -1.975 1.00 0.00 C ATOM 754 CG ARG A 47 45.832 2.231 -0.810 1.00 0.00 C ATOM 755 CD ARG A 47 45.230 3.623 -1.016 1.00 0.00 C ATOM 756 NE ARG A 47 44.211 3.448 -2.089 1.00 0.00 N ATOM 757 CZ ARG A 47 43.238 4.308 -2.211 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.514 4.627 -1.172 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.988 4.851 -3.371 1.00 0.00 N ATOM 0 H ARG A 47 49.115 2.706 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 47 47.517 0.140 -0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.169 2.817 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.203 1.402 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.039 1.487 -0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.383 2.197 0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.776 3.996 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.993 4.343 -1.310 1.00 0.00 H new ATOM 0 HE ARG A 47 44.274 2.656 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.709 4.204 -0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.753 5.300 -1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 47 43.554 4.603 -4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.227 5.523 -3.466 1.00 0.00 H new ATOM 773 N ASP A 48 48.205 -0.561 -3.312 1.00 0.00 N ATOM 774 CA ASP A 48 48.922 -1.130 -4.484 1.00 0.00 C ATOM 775 C ASP A 48 48.251 -0.675 -5.790 1.00 0.00 C ATOM 776 O ASP A 48 47.645 0.378 -5.846 1.00 0.00 O ATOM 777 CB ASP A 48 48.819 -2.649 -4.292 1.00 0.00 C ATOM 778 CG ASP A 48 47.352 -3.088 -4.316 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.588 -2.581 -3.510 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.018 -3.923 -5.140 1.00 0.00 O ATOM 0 H ASP A 48 47.340 -1.040 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 48 49.959 -0.802 -4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.372 -3.161 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.276 -2.935 -3.345 1.00 0.00 H new ATOM 785 N LYS A 49 48.358 -1.459 -6.835 1.00 0.00 N ATOM 786 CA LYS A 49 47.732 -1.074 -8.136 1.00 0.00 C ATOM 787 C LYS A 49 46.338 -1.694 -8.258 1.00 0.00 C ATOM 788 O LYS A 49 45.961 -2.191 -9.304 1.00 0.00 O ATOM 789 CB LYS A 49 48.666 -1.639 -9.207 1.00 0.00 C ATOM 790 CG LYS A 49 49.657 -0.557 -9.644 1.00 0.00 C ATOM 791 CD LYS A 49 50.032 -0.773 -11.112 1.00 0.00 C ATOM 792 CE LYS A 49 48.838 -0.419 -12.002 1.00 0.00 C ATOM 793 NZ LYS A 49 48.859 -1.432 -13.092 1.00 0.00 N ATOM 0 H LYS A 49 48.853 -2.351 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 49 47.608 0.005 -8.231 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.204 -2.503 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.087 -1.984 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.215 0.431 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.550 -0.593 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.890 -0.154 -11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.325 -1.810 -11.275 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.903 -0.459 -11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.928 0.592 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.069 -1.256 -13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.758 -1.365 -13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 48.765 -2.384 -12.683 1.00 0.00 H new ATOM 807 N ASN A 50 45.571 -1.662 -7.198 1.00 0.00 N ATOM 808 CA ASN A 50 44.201 -2.239 -7.240 1.00 0.00 C ATOM 809 C ASN A 50 43.251 -1.434 -6.344 1.00 0.00 C ATOM 810 O ASN A 50 42.194 -1.910 -5.970 1.00 0.00 O ATOM 811 CB ASN A 50 44.354 -3.668 -6.719 1.00 0.00 C ATOM 812 CG ASN A 50 45.143 -4.500 -7.732 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.591 -4.977 -8.703 1.00 0.00 O ATOM 814 ND2 ASN A 50 46.419 -4.695 -7.545 1.00 0.00 N ATOM 0 H ASN A 50 45.840 -1.257 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 50 43.777 -2.216 -8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.868 -3.663 -5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.373 -4.113 -6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.954 -5.248 -8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.882 -4.294 -6.729 1.00 0.00 H new ATOM 821 N GLY A 51 43.614 -0.221 -6.000 1.00 0.00 N ATOM 822 CA GLY A 51 42.731 0.613 -5.132 1.00 0.00 C ATOM 823 C GLY A 51 42.543 -0.069 -3.776 1.00 0.00 C ATOM 824 O GLY A 51 41.522 0.087 -3.131 1.00 0.00 O ATOM 0 H GLY A 51 44.486 0.226 -6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.170 1.601 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.764 0.758 -5.614 1.00 0.00 H new ATOM 828 N GLN A 52 43.519 -0.824 -3.339 1.00 0.00 N ATOM 829 CA GLN A 52 43.405 -1.520 -2.024 1.00 0.00 C ATOM 830 C GLN A 52 44.492 -1.024 -1.067 1.00 0.00 C ATOM 831 O GLN A 52 45.661 -1.002 -1.402 1.00 0.00 O ATOM 832 CB GLN A 52 43.606 -3.002 -2.343 1.00 0.00 C ATOM 833 CG GLN A 52 42.252 -3.647 -2.651 1.00 0.00 C ATOM 834 CD GLN A 52 42.249 -5.093 -2.153 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.156 -5.849 -2.441 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.260 -5.512 -1.413 1.00 0.00 N ATOM 0 H GLN A 52 44.393 -0.988 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 52 42.447 -1.333 -1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.276 -3.114 -3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.077 -3.506 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.452 -3.084 -2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.060 -3.621 -3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.499 -4.877 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.248 -6.475 -1.076 1.00 0.00 H new ATOM 845 N GLU A 53 44.111 -0.629 0.122 1.00 0.00 N ATOM 846 CA GLU A 53 45.117 -0.133 1.111 1.00 0.00 C ATOM 847 C GLU A 53 45.439 -1.227 2.134 1.00 0.00 C ATOM 848 O GLU A 53 44.619 -2.081 2.417 1.00 0.00 O ATOM 849 CB GLU A 53 44.457 1.073 1.797 1.00 0.00 C ATOM 850 CG GLU A 53 43.142 0.650 2.467 1.00 0.00 C ATOM 851 CD GLU A 53 43.016 1.331 3.832 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.846 2.539 3.856 1.00 0.00 O ATOM 853 OE2 GLU A 53 43.092 0.633 4.830 1.00 0.00 O ATOM 0 H GLU A 53 43.146 -0.629 0.451 1.00 0.00 H new ATOM 0 HA GLU A 53 46.057 0.142 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.134 1.492 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.264 1.857 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.297 0.922 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.115 -0.433 2.586 1.00 0.00 H new ATOM 860 N GLY A 54 46.623 -1.204 2.691 1.00 0.00 N ATOM 861 CA GLY A 54 46.998 -2.238 3.700 1.00 0.00 C ATOM 862 C GLY A 54 48.306 -1.819 4.359 1.00 0.00 C ATOM 863 O GLY A 54 48.583 -0.643 4.480 1.00 0.00 O ATOM 0 H GLY A 54 47.346 -0.513 2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.212 -2.339 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.110 -3.211 3.222 1.00 0.00 H new ATOM 867 N TYR A 55 49.112 -2.756 4.794 1.00 0.00 N ATOM 868 CA TYR A 55 50.394 -2.371 5.453 1.00 0.00 C ATOM 869 C TYR A 55 51.598 -2.617 4.538 1.00 0.00 C ATOM 870 O TYR A 55 51.654 -3.583 3.801 1.00 0.00 O ATOM 871 CB TYR A 55 50.483 -3.229 6.716 1.00 0.00 C ATOM 872 CG TYR A 55 49.753 -2.544 7.845 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.409 -2.181 7.694 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.420 -2.271 9.046 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.732 -1.547 8.742 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.742 -1.636 10.094 1.00 0.00 C ATOM 877 CZ TYR A 55 48.399 -1.273 9.942 1.00 0.00 C ATOM 878 OH TYR A 55 47.733 -0.648 10.976 1.00 0.00 O ATOM 0 H TYR A 55 48.939 -3.759 4.722 1.00 0.00 H new ATOM 0 HA TYR A 55 50.411 -1.306 5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.049 -4.212 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.527 -3.388 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.894 -2.391 6.768 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.457 -2.550 9.164 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.695 -1.269 8.625 1.00 0.00 H new ATOM 0 HE2 TYR A 55 50.256 -1.426 11.020 1.00 0.00 H new ATOM 0 HH TYR A 55 48.342 -0.534 11.736 1.00 0.00 H new ATOM 888 N ILE A 56 52.555 -1.725 4.584 1.00 0.00 N ATOM 889 CA ILE A 56 53.774 -1.850 3.729 1.00 0.00 C ATOM 890 C ILE A 56 55.031 -1.531 4.581 1.00 0.00 C ATOM 891 O ILE A 56 55.279 -0.375 4.861 1.00 0.00 O ATOM 892 CB ILE A 56 53.570 -0.784 2.631 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.519 -1.274 1.638 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.869 -0.514 1.871 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.125 -0.922 2.149 1.00 0.00 C ATOM 0 H ILE A 56 52.542 -0.903 5.187 1.00 0.00 H new ATOM 0 HA ILE A 56 53.914 -2.847 3.312 1.00 0.00 H new ATOM 0 HB ILE A 56 53.246 0.138 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.685 -0.817 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.606 -2.352 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.692 0.241 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.629 -0.155 2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.213 -1.435 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.377 -1.273 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.960 -1.400 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.040 0.159 2.260 1.00 0.00 H new ATOM 907 N PRO A 57 55.801 -2.541 4.966 1.00 0.00 N ATOM 908 CA PRO A 57 57.021 -2.278 5.773 1.00 0.00 C ATOM 909 C PRO A 57 57.974 -1.347 5.010 1.00 0.00 C ATOM 910 O PRO A 57 58.245 -1.546 3.841 1.00 0.00 O ATOM 911 CB PRO A 57 57.624 -3.677 5.947 1.00 0.00 C ATOM 912 CG PRO A 57 56.718 -4.700 5.236 1.00 0.00 C ATOM 913 CD PRO A 57 55.516 -3.964 4.635 1.00 0.00 C ATOM 0 HA PRO A 57 56.823 -1.783 6.723 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.630 -3.709 5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.711 -3.921 7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.274 -5.216 4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.381 -5.460 5.941 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.442 -4.122 3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.576 -4.300 5.072 1.00 0.00 H new ATOM 921 N SER A 58 58.469 -0.326 5.664 1.00 0.00 N ATOM 922 CA SER A 58 59.394 0.642 4.985 1.00 0.00 C ATOM 923 C SER A 58 60.591 -0.082 4.358 1.00 0.00 C ATOM 924 O SER A 58 60.947 0.163 3.220 1.00 0.00 O ATOM 925 CB SER A 58 59.869 1.583 6.093 1.00 0.00 C ATOM 926 OG SER A 58 60.897 2.424 5.585 1.00 0.00 O ATOM 0 H SER A 58 58.273 -0.118 6.643 1.00 0.00 H new ATOM 0 HA SER A 58 58.893 1.171 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.036 2.185 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.240 1.007 6.941 1.00 0.00 H new ATOM 0 HG SER A 58 60.582 2.871 4.772 1.00 0.00 H new ATOM 932 N ASN A 59 61.216 -0.961 5.096 1.00 0.00 N ATOM 933 CA ASN A 59 62.402 -1.698 4.555 1.00 0.00 C ATOM 934 C ASN A 59 62.014 -2.500 3.310 1.00 0.00 C ATOM 935 O ASN A 59 62.757 -2.583 2.350 1.00 0.00 O ATOM 936 CB ASN A 59 62.846 -2.622 5.702 1.00 0.00 C ATOM 937 CG ASN A 59 61.831 -3.751 5.934 1.00 0.00 C ATOM 938 OD1 ASN A 59 61.915 -4.796 5.321 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.870 -3.580 6.801 1.00 0.00 N ATOM 0 H ASN A 59 60.958 -1.203 6.053 1.00 0.00 H new ATOM 0 HA ASN A 59 63.204 -1.028 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.822 -3.049 5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.961 -2.040 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.191 -4.324 6.963 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.798 -2.703 7.317 1.00 0.00 H new ATOM 946 N TYR A 60 60.860 -3.099 3.342 1.00 0.00 N ATOM 947 CA TYR A 60 60.398 -3.924 2.181 1.00 0.00 C ATOM 948 C TYR A 60 60.272 -3.074 0.912 1.00 0.00 C ATOM 949 O TYR A 60 60.623 -3.516 -0.167 1.00 0.00 O ATOM 950 CB TYR A 60 59.030 -4.476 2.598 1.00 0.00 C ATOM 951 CG TYR A 60 59.170 -5.920 3.022 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.543 -6.230 4.336 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.927 -6.947 2.103 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.673 -7.568 4.729 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.057 -8.285 2.496 1.00 0.00 C ATOM 956 CZ TYR A 60 59.430 -8.594 3.809 1.00 0.00 C ATOM 957 OH TYR A 60 59.558 -9.913 4.197 1.00 0.00 O ATOM 0 H TYR A 60 60.208 -3.056 4.125 1.00 0.00 H new ATOM 0 HA TYR A 60 61.107 -4.718 1.947 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.623 -3.884 3.418 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.327 -4.397 1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.730 -5.438 5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.639 -6.708 1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.961 -7.808 5.742 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.870 -9.077 1.787 1.00 0.00 H new ATOM 0 HH TYR A 60 59.353 -10.499 3.438 1.00 0.00 H new ATOM 967 N VAL A 61 59.769 -1.868 1.021 1.00 0.00 N ATOM 968 CA VAL A 61 59.620 -1.012 -0.200 1.00 0.00 C ATOM 969 C VAL A 61 60.662 0.107 -0.222 1.00 0.00 C ATOM 970 O VAL A 61 61.352 0.354 0.749 1.00 0.00 O ATOM 971 CB VAL A 61 58.211 -0.415 -0.137 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.177 -1.538 -0.215 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.028 0.356 1.175 1.00 0.00 C ATOM 0 H VAL A 61 59.457 -1.442 1.894 1.00 0.00 H new ATOM 0 HA VAL A 61 59.769 -1.603 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 61 58.075 0.268 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.174 -1.113 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.299 -2.081 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.319 -2.222 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.024 0.778 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.169 -0.321 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.761 1.161 1.230 1.00 0.00 H new ATOM 983 N THR A 62 60.764 0.789 -1.331 1.00 0.00 N ATOM 984 CA THR A 62 61.741 1.909 -1.455 1.00 0.00 C ATOM 985 C THR A 62 61.106 3.035 -2.296 1.00 0.00 C ATOM 986 O THR A 62 59.966 3.391 -2.075 1.00 0.00 O ATOM 987 CB THR A 62 62.971 1.285 -2.134 1.00 0.00 C ATOM 988 OG1 THR A 62 63.978 2.275 -2.280 1.00 0.00 O ATOM 989 CG2 THR A 62 62.591 0.737 -3.512 1.00 0.00 C ATOM 0 H THR A 62 60.205 0.615 -2.166 1.00 0.00 H new ATOM 0 HA THR A 62 62.022 2.359 -0.503 1.00 0.00 H new ATOM 0 HB THR A 62 63.343 0.467 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.765 1.880 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.470 0.297 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.820 -0.025 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.213 1.548 -4.134 1.00 0.00 H new ATOM 997 N GLU A 63 61.812 3.599 -3.251 1.00 0.00 N ATOM 998 CA GLU A 63 61.214 4.687 -4.081 1.00 0.00 C ATOM 999 C GLU A 63 60.545 4.092 -5.323 1.00 0.00 C ATOM 1000 O GLU A 63 61.065 3.186 -5.944 1.00 0.00 O ATOM 1001 CB GLU A 63 62.391 5.581 -4.477 1.00 0.00 C ATOM 1002 CG GLU A 63 62.872 6.362 -3.253 1.00 0.00 C ATOM 1003 CD GLU A 63 63.804 7.490 -3.700 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.489 8.135 -4.688 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.816 7.690 -3.049 1.00 0.00 O ATOM 0 H GLU A 63 62.773 3.351 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 63 60.447 5.245 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.204 4.975 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.089 6.270 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.019 6.773 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.394 5.696 -2.566 1.00 0.00 H new ATOM 1012 N ALA A 64 59.389 4.595 -5.683 1.00 0.00 N ATOM 1013 CA ALA A 64 58.665 4.060 -6.883 1.00 0.00 C ATOM 1014 C ALA A 64 59.571 4.081 -8.122 1.00 0.00 C ATOM 1015 O ALA A 64 59.615 3.133 -8.884 1.00 0.00 O ATOM 1016 CB ALA A 64 57.475 4.997 -7.084 1.00 0.00 C ATOM 0 H ALA A 64 58.913 5.355 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 64 58.356 3.025 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.895 4.669 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.844 4.980 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.835 6.012 -7.253 1.00 0.00 H new