USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 639 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 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -3.35! C(o=-3.3!,f=-9!) USER MOD Single : A 36 HIS : no HD1:sc= -3.28! K(o=-3.3!,f=-4.1) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -0:sc= 0.515 USER MOD Single : A 57 TYR OH : rot 110:sc= 1.49 USER MOD Single : A 59 ASN : amide:sc= -0.209 K(o=-0.21,f=-3.1!) USER MOD Single : A 62 ASN : amide:sc= -2.74! C(o=-2.7!,f=-5.5!) USER MOD Single : A 76 TYR OH : rot 130:sc= -1.04 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.041) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.284 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.261 9.462 -2.202 1.00 35.11 N ATOM 147 CA HIS A 10 12.646 9.013 -3.459 1.00 13.24 C ATOM 148 C HIS A 10 11.383 8.173 -3.191 1.00 0.02 C ATOM 149 O HIS A 10 11.409 7.230 -2.401 1.00 64.14 O ATOM 150 CB HIS A 10 13.657 8.204 -4.280 1.00 40.23 C ATOM 151 CG HIS A 10 14.911 8.967 -4.601 1.00 40.53 C ATOM 152 ND1 HIS A 10 16.149 8.634 -4.094 1.00 45.32 N ATOM 153 CD2 HIS A 10 15.115 10.050 -5.391 1.00 51.51 C ATOM 154 CE1 HIS A 10 17.054 9.475 -4.555 1.00 12.55 C ATOM 155 NE2 HIS A 10 16.456 10.343 -5.343 1.00 54.43 N ATOM 0 HA HIS A 10 12.350 9.895 -4.027 1.00 13.24 H new ATOM 0 HB2 HIS A 10 13.921 7.301 -3.730 1.00 40.23 H new ATOM 0 HB3 HIS A 10 13.186 7.885 -5.210 1.00 40.23 H new ATOM 0 HD2 HIS A 10 14.363 10.583 -5.953 1.00 51.51 H new ATOM 0 HE1 HIS A 10 18.109 9.455 -4.325 1.00 12.55 H new ATOM 0 HE2 HIS A 10 16.914 11.109 -5.838 1.00 54.43 H new ATOM 164 N MET A 11 10.284 8.521 -3.859 1.00 60.11 N ATOM 165 CA MET A 11 8.993 7.852 -3.635 1.00 70.33 C ATOM 166 C MET A 11 8.998 6.399 -4.140 1.00 72.44 C ATOM 167 O MET A 11 9.385 6.122 -5.278 1.00 22.13 O ATOM 168 CB MET A 11 7.859 8.636 -4.316 1.00 20.23 C ATOM 169 CG MET A 11 7.697 10.062 -3.800 1.00 72.03 C ATOM 170 SD MET A 11 9.118 11.108 -4.184 1.00 45.55 S ATOM 171 CE MET A 11 8.638 12.640 -3.388 1.00 24.01 C ATOM 0 H MET A 11 10.257 9.261 -4.560 1.00 60.11 H new ATOM 0 HA MET A 11 8.826 7.829 -2.558 1.00 70.33 H new ATOM 0 HB2 MET A 11 8.046 8.668 -5.389 1.00 20.23 H new ATOM 0 HB3 MET A 11 6.922 8.099 -4.171 1.00 20.23 H new ATOM 0 HG2 MET A 11 6.799 10.502 -4.235 1.00 72.03 H new ATOM 0 HG3 MET A 11 7.549 10.039 -2.720 1.00 72.03 H new ATOM 0 HE1 MET A 11 9.417 13.387 -3.537 1.00 24.01 H new ATOM 0 HE2 MET A 11 7.704 12.998 -3.821 1.00 24.01 H new ATOM 0 HE3 MET A 11 8.500 12.468 -2.321 1.00 24.01 H new ATOM 181 N VAL A 12 8.558 5.478 -3.281 1.00 74.44 N ATOM 182 CA VAL A 12 8.476 4.052 -3.620 1.00 71.41 C ATOM 183 C VAL A 12 7.030 3.546 -3.461 1.00 41.41 C ATOM 184 O VAL A 12 6.522 3.440 -2.347 1.00 24.53 O ATOM 185 CB VAL A 12 9.425 3.214 -2.722 1.00 25.21 C ATOM 186 CG1 VAL A 12 9.385 1.736 -3.101 1.00 14.24 C ATOM 187 CG2 VAL A 12 10.855 3.755 -2.784 1.00 34.34 C ATOM 0 H VAL A 12 8.249 5.696 -2.334 1.00 74.44 H new ATOM 0 HA VAL A 12 8.785 3.935 -4.659 1.00 71.41 H new ATOM 0 HB VAL A 12 9.073 3.303 -1.694 1.00 25.21 H new ATOM 0 HG11 VAL A 12 10.060 1.176 -2.454 1.00 14.24 H new ATOM 0 HG12 VAL A 12 8.370 1.357 -2.981 1.00 14.24 H new ATOM 0 HG13 VAL A 12 9.696 1.618 -4.139 1.00 14.24 H new ATOM 0 HG21 VAL A 12 11.501 3.151 -2.146 1.00 34.34 H new ATOM 0 HG22 VAL A 12 11.216 3.711 -3.811 1.00 34.34 H new ATOM 0 HG23 VAL A 12 10.868 4.789 -2.438 1.00 34.34 H new ATOM 197 N VAL A 13 6.376 3.232 -4.580 1.00 44.13 N ATOM 198 CA VAL A 13 4.944 2.895 -4.580 1.00 43.41 C ATOM 199 C VAL A 13 4.686 1.379 -4.653 1.00 51.22 C ATOM 200 O VAL A 13 5.614 0.572 -4.746 1.00 41.52 O ATOM 201 CB VAL A 13 4.205 3.593 -5.752 1.00 42.31 C ATOM 202 CG1 VAL A 13 4.339 5.112 -5.644 1.00 42.42 C ATOM 203 CG2 VAL A 13 4.727 3.094 -7.099 1.00 25.21 C ATOM 0 H VAL A 13 6.812 3.203 -5.502 1.00 44.13 H new ATOM 0 HA VAL A 13 4.554 3.257 -3.629 1.00 43.41 H new ATOM 0 HB VAL A 13 3.147 3.339 -5.687 1.00 42.31 H new ATOM 0 HG11 VAL A 13 3.814 5.584 -6.475 1.00 42.42 H new ATOM 0 HG12 VAL A 13 3.906 5.449 -4.703 1.00 42.42 H new ATOM 0 HG13 VAL A 13 5.393 5.388 -5.677 1.00 42.42 H new ATOM 0 HG21 VAL A 13 4.194 3.598 -7.905 1.00 25.21 H new ATOM 0 HG22 VAL A 13 5.793 3.309 -7.179 1.00 25.21 H new ATOM 0 HG23 VAL A 13 4.568 2.018 -7.175 1.00 25.21 H new ATOM 213 N ILE A 14 3.404 1.008 -4.623 1.00 40.11 N ATOM 214 CA ILE A 14 2.984 -0.396 -4.625 1.00 51.43 C ATOM 215 C ILE A 14 2.060 -0.691 -5.836 1.00 73.30 C ATOM 216 O ILE A 14 1.105 0.045 -6.095 1.00 72.22 O ATOM 217 CB ILE A 14 2.254 -0.731 -3.291 1.00 44.53 C ATOM 218 CG1 ILE A 14 1.935 -2.234 -3.184 1.00 65.22 C ATOM 219 CG2 ILE A 14 0.985 0.112 -3.128 1.00 2.05 C ATOM 220 CD1 ILE A 14 3.136 -3.090 -2.839 1.00 2.21 C ATOM 0 H ILE A 14 2.629 1.671 -4.597 1.00 40.11 H new ATOM 0 HA ILE A 14 3.870 -1.025 -4.713 1.00 51.43 H new ATOM 0 HB ILE A 14 2.932 -0.479 -2.476 1.00 44.53 H new ATOM 0 HG12 ILE A 14 1.166 -2.380 -2.425 1.00 65.22 H new ATOM 0 HG13 ILE A 14 1.517 -2.576 -4.131 1.00 65.22 H new ATOM 0 HG21 ILE A 14 0.497 -0.144 -2.188 1.00 2.05 H new ATOM 0 HG22 ILE A 14 1.249 1.170 -3.124 1.00 2.05 H new ATOM 0 HG23 ILE A 14 0.306 -0.089 -3.956 1.00 2.05 H new ATOM 0 HD11 ILE A 14 2.833 -4.135 -2.781 1.00 2.21 H new ATOM 0 HD12 ILE A 14 3.898 -2.975 -3.610 1.00 2.21 H new ATOM 0 HD13 ILE A 14 3.542 -2.776 -1.877 1.00 2.21 H new ATOM 232 N ARG A 15 2.359 -1.751 -6.591 1.00 73.44 N ATOM 233 CA ARG A 15 1.557 -2.117 -7.774 1.00 50.11 C ATOM 234 C ARG A 15 0.626 -3.314 -7.514 1.00 30.12 C ATOM 235 O ARG A 15 0.763 -4.032 -6.521 1.00 61.03 O ATOM 236 CB ARG A 15 2.447 -2.514 -8.965 1.00 70.22 C ATOM 237 CG ARG A 15 3.337 -1.426 -9.562 1.00 43.11 C ATOM 238 CD ARG A 15 3.920 -1.920 -10.889 1.00 34.43 C ATOM 239 NE ARG A 15 4.923 -1.028 -11.464 1.00 10.23 N ATOM 240 CZ ARG A 15 5.178 -0.956 -12.743 1.00 41.23 C ATOM 241 NH1 ARG A 15 4.415 -1.564 -13.600 1.00 10.22 N ATOM 242 NH2 ARG A 15 6.189 -0.270 -13.167 1.00 73.42 N ATOM 0 H ARG A 15 3.147 -2.373 -6.410 1.00 73.44 H new ATOM 0 HA ARG A 15 0.972 -1.225 -7.997 1.00 50.11 H new ATOM 0 HB2 ARG A 15 3.086 -3.338 -8.649 1.00 70.22 H new ATOM 0 HB3 ARG A 15 1.802 -2.896 -9.757 1.00 70.22 H new ATOM 0 HG2 ARG A 15 2.760 -0.515 -9.722 1.00 43.11 H new ATOM 0 HG3 ARG A 15 4.141 -1.177 -8.869 1.00 43.11 H new ATOM 0 HD2 ARG A 15 4.367 -2.902 -10.735 1.00 34.43 H new ATOM 0 HD3 ARG A 15 3.109 -2.048 -11.606 1.00 34.43 H new ATOM 0 HE ARG A 15 5.454 -0.428 -10.832 1.00 10.23 H new ATOM 0 HH11 ARG A 15 3.611 -2.102 -13.276 1.00 10.22 H new ATOM 0 HH12 ARG A 15 4.619 -1.504 -14.597 1.00 10.22 H new ATOM 0 HH21 ARG A 15 6.790 0.217 -12.502 1.00 73.42 H new ATOM 0 HH22 ARG A 15 6.385 -0.216 -14.166 1.00 73.42 H new ATOM 256 N ARG A 16 -0.314 -3.508 -8.446 1.00 2.34 N ATOM 257 CA ARG A 16 -1.058 -4.771 -8.599 1.00 42.44 C ATOM 258 C ARG A 16 -2.106 -5.020 -7.488 1.00 22.42 C ATOM 259 O ARG A 16 -2.549 -6.153 -7.284 1.00 73.45 O ATOM 260 CB ARG A 16 -0.060 -5.940 -8.703 1.00 3.32 C ATOM 261 CG ARG A 16 -0.658 -7.234 -9.247 1.00 41.12 C ATOM 262 CD ARG A 16 0.410 -8.294 -9.482 1.00 24.40 C ATOM 263 NE ARG A 16 -0.160 -9.531 -10.004 1.00 70.01 N ATOM 264 CZ ARG A 16 0.534 -10.602 -10.287 1.00 25.24 C ATOM 265 NH1 ARG A 16 1.818 -10.636 -10.105 1.00 14.34 N ATOM 266 NH2 ARG A 16 -0.065 -11.649 -10.744 1.00 2.24 N ATOM 0 H ARG A 16 -0.584 -2.792 -9.120 1.00 2.34 H new ATOM 0 HA ARG A 16 -1.638 -4.694 -9.519 1.00 42.44 H new ATOM 0 HB2 ARG A 16 0.768 -5.639 -9.345 1.00 3.32 H new ATOM 0 HB3 ARG A 16 0.357 -6.134 -7.715 1.00 3.32 H new ATOM 0 HG2 ARG A 16 -1.400 -7.615 -8.545 1.00 41.12 H new ATOM 0 HG3 ARG A 16 -1.179 -7.029 -10.182 1.00 41.12 H new ATOM 0 HD2 ARG A 16 1.153 -7.912 -10.182 1.00 24.40 H new ATOM 0 HD3 ARG A 16 0.930 -8.500 -8.546 1.00 24.40 H new ATOM 0 HE ARG A 16 -1.168 -9.562 -10.159 1.00 70.01 H new ATOM 0 HH11 ARG A 16 2.303 -9.818 -9.735 1.00 14.34 H new ATOM 0 HH12 ARG A 16 2.343 -11.481 -10.332 1.00 14.34 H new ATOM 0 HH21 ARG A 16 -1.075 -11.639 -10.883 1.00 2.24 H new ATOM 0 HH22 ARG A 16 0.472 -12.487 -10.966 1.00 2.24 H new ATOM 280 N LEU A 17 -2.545 -3.957 -6.813 1.00 10.44 N ATOM 281 CA LEU A 17 -3.590 -4.075 -5.775 1.00 31.21 C ATOM 282 C LEU A 17 -4.980 -4.344 -6.389 1.00 3.30 C ATOM 283 O LEU A 17 -5.503 -3.523 -7.145 1.00 35.31 O ATOM 284 CB LEU A 17 -3.665 -2.806 -4.903 1.00 63.33 C ATOM 285 CG LEU A 17 -2.495 -2.578 -3.927 1.00 2.41 C ATOM 286 CD1 LEU A 17 -2.293 -3.793 -3.022 1.00 74.11 C ATOM 287 CD2 LEU A 17 -1.217 -2.244 -4.683 1.00 10.11 C ATOM 0 H LEU A 17 -2.201 -3.008 -6.959 1.00 10.44 H new ATOM 0 HA LEU A 17 -3.308 -4.924 -5.152 1.00 31.21 H new ATOM 0 HB2 LEU A 17 -3.734 -1.941 -5.563 1.00 63.33 H new ATOM 0 HB3 LEU A 17 -4.589 -2.841 -4.327 1.00 63.33 H new ATOM 0 HG LEU A 17 -2.745 -1.727 -3.294 1.00 2.41 H new ATOM 0 HD11 LEU A 17 -1.461 -3.606 -2.343 1.00 74.11 H new ATOM 0 HD12 LEU A 17 -3.200 -3.971 -2.445 1.00 74.11 H new ATOM 0 HD13 LEU A 17 -2.073 -4.669 -3.632 1.00 74.11 H new ATOM 0 HD21 LEU A 17 -0.405 -2.087 -3.973 1.00 10.11 H new ATOM 0 HD22 LEU A 17 -0.963 -3.068 -5.349 1.00 10.11 H new ATOM 0 HD23 LEU A 17 -1.367 -1.337 -5.269 1.00 10.11 H new ATOM 299 N PRO A 18 -5.586 -5.509 -6.088 1.00 61.41 N ATOM 300 CA PRO A 18 -6.961 -5.826 -6.482 1.00 43.30 C ATOM 301 C PRO A 18 -7.992 -5.435 -5.398 1.00 34.31 C ATOM 302 O PRO A 18 -7.687 -5.463 -4.203 1.00 64.40 O ATOM 303 CB PRO A 18 -6.919 -7.360 -6.668 1.00 25.52 C ATOM 304 CG PRO A 18 -5.603 -7.824 -6.091 1.00 53.31 C ATOM 305 CD PRO A 18 -4.988 -6.643 -5.382 1.00 5.24 C ATOM 0 HA PRO A 18 -7.274 -5.279 -7.371 1.00 43.30 H new ATOM 0 HB2 PRO A 18 -7.756 -7.836 -6.158 1.00 25.52 H new ATOM 0 HB3 PRO A 18 -6.996 -7.626 -7.722 1.00 25.52 H new ATOM 0 HG2 PRO A 18 -5.757 -8.652 -5.399 1.00 53.31 H new ATOM 0 HG3 PRO A 18 -4.943 -8.186 -6.879 1.00 53.31 H new ATOM 0 HD2 PRO A 18 -5.231 -6.635 -4.320 1.00 5.24 H new ATOM 0 HD3 PRO A 18 -3.901 -6.643 -5.460 1.00 5.24 H new ATOM 313 N PRO A 19 -9.226 -5.061 -5.798 1.00 14.41 N ATOM 314 CA PRO A 19 -10.288 -4.689 -4.844 1.00 72.21 C ATOM 315 C PRO A 19 -10.746 -5.875 -3.972 1.00 2.34 C ATOM 316 O PRO A 19 -11.215 -6.893 -4.487 1.00 15.03 O ATOM 317 CB PRO A 19 -11.432 -4.204 -5.754 1.00 4.04 C ATOM 318 CG PRO A 19 -11.183 -4.874 -7.063 1.00 11.44 C ATOM 319 CD PRO A 19 -9.686 -4.968 -7.197 1.00 1.34 C ATOM 0 HA PRO A 19 -9.948 -3.939 -4.130 1.00 72.21 H new ATOM 0 HB2 PRO A 19 -12.405 -4.478 -5.347 1.00 4.04 H new ATOM 0 HB3 PRO A 19 -11.424 -3.119 -5.856 1.00 4.04 H new ATOM 0 HG2 PRO A 19 -11.641 -5.863 -7.090 1.00 11.44 H new ATOM 0 HG3 PRO A 19 -11.614 -4.301 -7.884 1.00 11.44 H new ATOM 0 HD2 PRO A 19 -9.388 -5.841 -7.777 1.00 1.34 H new ATOM 0 HD3 PRO A 19 -9.271 -4.094 -7.700 1.00 1.34 H new ATOM 327 N GLY A 20 -10.605 -5.738 -2.651 1.00 62.44 N ATOM 328 CA GLY A 20 -10.984 -6.818 -1.745 1.00 55.32 C ATOM 329 C GLY A 20 -11.319 -6.336 -0.336 1.00 72.12 C ATOM 330 O GLY A 20 -12.359 -5.713 -0.115 1.00 0.44 O ATOM 0 H GLY A 20 -10.237 -4.904 -2.194 1.00 62.44 H new ATOM 0 HA2 GLY A 20 -11.847 -7.342 -2.157 1.00 55.32 H new ATOM 0 HA3 GLY A 20 -10.169 -7.540 -1.690 1.00 55.32 H new ATOM 334 N LEU A 21 -10.444 -6.646 0.619 1.00 71.33 N ATOM 335 CA LEU A 21 -10.621 -6.214 2.013 1.00 3.45 C ATOM 336 C LEU A 21 -10.601 -4.677 2.156 1.00 23.52 C ATOM 337 O LEU A 21 -10.112 -3.959 1.284 1.00 21.53 O ATOM 338 CB LEU A 21 -9.551 -6.844 2.928 1.00 45.24 C ATOM 339 CG LEU A 21 -8.100 -6.347 2.747 1.00 55.01 C ATOM 340 CD1 LEU A 21 -7.192 -6.953 3.816 1.00 54.04 C ATOM 341 CD2 LEU A 21 -7.558 -6.669 1.352 1.00 72.25 C ATOM 0 H LEU A 21 -9.601 -7.197 0.456 1.00 71.33 H new ATOM 0 HA LEU A 21 -11.605 -6.563 2.325 1.00 3.45 H new ATOM 0 HB2 LEU A 21 -9.843 -6.669 3.963 1.00 45.24 H new ATOM 0 HB3 LEU A 21 -9.563 -7.923 2.772 1.00 45.24 H new ATOM 0 HG LEU A 21 -8.110 -5.263 2.857 1.00 55.01 H new ATOM 0 HD11 LEU A 21 -6.173 -6.593 3.675 1.00 54.04 H new ATOM 0 HD12 LEU A 21 -7.547 -6.659 4.804 1.00 54.04 H new ATOM 0 HD13 LEU A 21 -7.208 -8.040 3.733 1.00 54.04 H new ATOM 0 HD21 LEU A 21 -6.535 -6.303 1.266 1.00 72.25 H new ATOM 0 HD22 LEU A 21 -7.572 -7.748 1.196 1.00 72.25 H new ATOM 0 HD23 LEU A 21 -8.181 -6.186 0.599 1.00 72.25 H new ATOM 353 N THR A 22 -11.124 -4.187 3.278 1.00 42.04 N ATOM 354 CA THR A 22 -11.247 -2.742 3.518 1.00 24.43 C ATOM 355 C THR A 22 -9.906 -2.109 3.934 1.00 24.31 C ATOM 356 O THR A 22 -9.076 -2.747 4.586 1.00 72.21 O ATOM 357 CB THR A 22 -12.320 -2.443 4.601 1.00 22.53 C ATOM 358 OG1 THR A 22 -13.612 -2.879 4.151 1.00 22.23 O ATOM 359 CG2 THR A 22 -12.386 -0.955 4.943 1.00 52.22 C ATOM 0 H THR A 22 -11.472 -4.768 4.041 1.00 42.04 H new ATOM 0 HA THR A 22 -11.557 -2.296 2.573 1.00 24.43 H new ATOM 0 HB THR A 22 -12.032 -2.989 5.500 1.00 22.53 H new ATOM 0 HG1 THR A 22 -14.281 -2.688 4.841 1.00 22.23 H new ATOM 0 HG21 THR A 22 -13.149 -0.790 5.704 1.00 52.22 H new ATOM 0 HG22 THR A 22 -11.418 -0.625 5.322 1.00 52.22 H new ATOM 0 HG23 THR A 22 -12.638 -0.387 4.048 1.00 52.22 H new ATOM 367 N LYS A 23 -9.725 -0.840 3.558 1.00 10.11 N ATOM 368 CA LYS A 23 -8.497 -0.071 3.829 1.00 50.13 C ATOM 369 C LYS A 23 -7.962 -0.247 5.269 1.00 71.35 C ATOM 370 O LYS A 23 -6.756 -0.337 5.470 1.00 34.02 O ATOM 371 CB LYS A 23 -8.762 1.416 3.540 1.00 3.24 C ATOM 372 CG LYS A 23 -9.927 2.000 4.345 1.00 0.41 C ATOM 373 CD LYS A 23 -10.357 3.377 3.840 1.00 3.22 C ATOM 374 CE LYS A 23 -9.262 4.425 3.993 1.00 72.32 C ATOM 375 NZ LYS A 23 -9.725 5.771 3.561 1.00 40.25 N ATOM 0 H LYS A 23 -10.432 -0.308 3.051 1.00 10.11 H new ATOM 0 HA LYS A 23 -7.721 -0.461 3.170 1.00 50.13 H new ATOM 0 HB2 LYS A 23 -7.859 1.986 3.758 1.00 3.24 H new ATOM 0 HB3 LYS A 23 -8.968 1.540 2.477 1.00 3.24 H new ATOM 0 HG2 LYS A 23 -10.776 1.318 4.296 1.00 0.41 H new ATOM 0 HG3 LYS A 23 -9.638 2.075 5.393 1.00 0.41 H new ATOM 0 HD2 LYS A 23 -10.640 3.303 2.790 1.00 3.22 H new ATOM 0 HD3 LYS A 23 -11.243 3.700 4.387 1.00 3.22 H new ATOM 0 HE2 LYS A 23 -8.941 4.467 5.034 1.00 72.32 H new ATOM 0 HE3 LYS A 23 -8.393 4.132 3.403 1.00 72.32 H new ATOM 0 HZ1 LYS A 23 -8.953 6.458 3.679 1.00 40.25 H new ATOM 0 HZ2 LYS A 23 -10.007 5.736 2.561 1.00 40.25 H new ATOM 0 HZ3 LYS A 23 -10.538 6.061 4.141 1.00 40.25 H new ATOM 389 N GLU A 24 -8.860 -0.313 6.255 1.00 20.30 N ATOM 390 CA GLU A 24 -8.462 -0.412 7.674 1.00 74.22 C ATOM 391 C GLU A 24 -7.562 -1.635 7.950 1.00 64.25 C ATOM 392 O GLU A 24 -6.716 -1.608 8.845 1.00 72.21 O ATOM 393 CB GLU A 24 -9.709 -0.461 8.568 1.00 22.05 C ATOM 394 CG GLU A 24 -10.637 0.736 8.387 1.00 52.31 C ATOM 395 CD GLU A 24 -11.812 0.719 9.351 1.00 72.44 C ATOM 396 OE1 GLU A 24 -12.689 -0.161 9.211 1.00 40.55 O ATOM 397 OE2 GLU A 24 -11.869 1.595 10.241 1.00 14.54 O ATOM 0 H GLU A 24 -9.869 -0.300 6.104 1.00 20.30 H new ATOM 0 HA GLU A 24 -7.877 0.477 7.908 1.00 74.22 H new ATOM 0 HB2 GLU A 24 -10.263 -1.375 8.355 1.00 22.05 H new ATOM 0 HB3 GLU A 24 -9.396 -0.513 9.611 1.00 22.05 H new ATOM 0 HG2 GLU A 24 -10.069 1.655 8.529 1.00 52.31 H new ATOM 0 HG3 GLU A 24 -11.012 0.748 7.364 1.00 52.31 H new ATOM 404 N GLN A 25 -7.763 -2.709 7.192 1.00 62.15 N ATOM 405 CA GLN A 25 -6.902 -3.899 7.277 1.00 25.21 C ATOM 406 C GLN A 25 -5.876 -3.907 6.139 1.00 31.52 C ATOM 407 O GLN A 25 -4.692 -4.143 6.350 1.00 72.23 O ATOM 408 CB GLN A 25 -7.748 -5.178 7.210 1.00 11.25 C ATOM 409 CG GLN A 25 -8.725 -5.343 8.368 1.00 33.52 C ATOM 410 CD GLN A 25 -9.600 -6.578 8.218 1.00 32.34 C ATOM 411 OE1 GLN A 25 -9.240 -7.668 8.652 1.00 23.11 O ATOM 412 NE2 GLN A 25 -10.759 -6.416 7.611 1.00 32.23 N ATOM 0 H GLN A 25 -8.516 -2.786 6.508 1.00 62.15 H new ATOM 0 HA GLN A 25 -6.375 -3.866 8.230 1.00 25.21 H new ATOM 0 HB2 GLN A 25 -8.307 -5.182 6.274 1.00 11.25 H new ATOM 0 HB3 GLN A 25 -7.081 -6.040 7.186 1.00 11.25 H new ATOM 0 HG2 GLN A 25 -8.168 -5.407 9.303 1.00 33.52 H new ATOM 0 HG3 GLN A 25 -9.358 -4.458 8.434 1.00 33.52 H new ATOM 0 HE21 GLN A 25 -11.028 -5.496 7.262 1.00 32.23 H new ATOM 0 HE22 GLN A 25 -11.387 -7.211 7.490 1.00 32.23 H new ATOM 421 N LEU A 26 -6.355 -3.630 4.930 1.00 2.02 N ATOM 422 CA LEU A 26 -5.519 -3.596 3.725 1.00 4.33 C ATOM 423 C LEU A 26 -4.273 -2.703 3.894 1.00 35.41 C ATOM 424 O LEU A 26 -3.233 -2.948 3.281 1.00 54.32 O ATOM 425 CB LEU A 26 -6.387 -3.120 2.543 1.00 50.55 C ATOM 426 CG LEU A 26 -5.635 -2.627 1.290 1.00 53.33 C ATOM 427 CD1 LEU A 26 -4.832 -3.758 0.650 1.00 70.11 C ATOM 428 CD2 LEU A 26 -6.612 -2.015 0.283 1.00 71.11 C ATOM 0 H LEU A 26 -7.338 -3.421 4.753 1.00 2.02 H new ATOM 0 HA LEU A 26 -5.141 -4.601 3.534 1.00 4.33 H new ATOM 0 HB2 LEU A 26 -7.040 -3.941 2.247 1.00 50.55 H new ATOM 0 HB3 LEU A 26 -7.029 -2.313 2.895 1.00 50.55 H new ATOM 0 HG LEU A 26 -4.932 -1.854 1.600 1.00 53.33 H new ATOM 0 HD11 LEU A 26 -4.312 -3.382 -0.231 1.00 70.11 H new ATOM 0 HD12 LEU A 26 -4.104 -4.138 1.366 1.00 70.11 H new ATOM 0 HD13 LEU A 26 -5.506 -4.563 0.357 1.00 70.11 H new ATOM 0 HD21 LEU A 26 -6.063 -1.673 -0.594 1.00 71.11 H new ATOM 0 HD22 LEU A 26 -7.344 -2.766 -0.016 1.00 71.11 H new ATOM 0 HD23 LEU A 26 -7.126 -1.170 0.742 1.00 71.11 H new ATOM 440 N GLU A 27 -4.375 -1.682 4.739 1.00 54.41 N ATOM 441 CA GLU A 27 -3.269 -0.742 4.945 1.00 1.32 C ATOM 442 C GLU A 27 -2.120 -1.350 5.770 1.00 24.31 C ATOM 443 O GLU A 27 -0.961 -0.992 5.570 1.00 64.23 O ATOM 444 CB GLU A 27 -3.777 0.526 5.642 1.00 63.05 C ATOM 445 CG GLU A 27 -4.215 0.304 7.088 1.00 35.14 C ATOM 446 CD GLU A 27 -4.750 1.562 7.744 1.00 13.21 C ATOM 447 OE1 GLU A 27 -4.185 2.648 7.505 1.00 41.34 O ATOM 448 OE2 GLU A 27 -5.734 1.474 8.508 1.00 5.14 O ATOM 0 H GLU A 27 -5.208 -1.481 5.293 1.00 54.41 H new ATOM 0 HA GLU A 27 -2.875 -0.499 3.958 1.00 1.32 H new ATOM 0 HB2 GLU A 27 -2.990 1.280 5.623 1.00 63.05 H new ATOM 0 HB3 GLU A 27 -4.617 0.928 5.076 1.00 63.05 H new ATOM 0 HG2 GLU A 27 -4.984 -0.468 7.115 1.00 35.14 H new ATOM 0 HG3 GLU A 27 -3.369 -0.069 7.665 1.00 35.14 H new ATOM 455 N GLU A 28 -2.435 -2.274 6.682 1.00 3.44 N ATOM 456 CA GLU A 28 -1.445 -2.772 7.653 1.00 44.42 C ATOM 457 C GLU A 28 -0.250 -3.461 6.965 1.00 35.35 C ATOM 458 O GLU A 28 0.900 -3.268 7.364 1.00 25.34 O ATOM 459 CB GLU A 28 -2.103 -3.725 8.673 1.00 20.22 C ATOM 460 CG GLU A 28 -2.408 -5.119 8.137 1.00 35.21 C ATOM 461 CD GLU A 28 -3.060 -6.021 9.173 1.00 34.43 C ATOM 462 OE1 GLU A 28 -2.331 -6.615 10.000 1.00 74.43 O ATOM 463 OE2 GLU A 28 -4.304 -6.140 9.168 1.00 33.10 O ATOM 0 H GLU A 28 -3.361 -2.693 6.772 1.00 3.44 H new ATOM 0 HA GLU A 28 -1.058 -1.903 8.185 1.00 44.42 H new ATOM 0 HB2 GLU A 28 -1.447 -3.819 9.538 1.00 20.22 H new ATOM 0 HB3 GLU A 28 -3.031 -3.274 9.024 1.00 20.22 H new ATOM 0 HG2 GLU A 28 -3.065 -5.034 7.271 1.00 35.21 H new ATOM 0 HG3 GLU A 28 -1.483 -5.580 7.791 1.00 35.21 H new ATOM 470 N GLN A 29 -0.520 -4.254 5.928 1.00 31.04 N ATOM 471 CA GLN A 29 0.550 -4.913 5.166 1.00 43.03 C ATOM 472 C GLN A 29 1.257 -3.923 4.229 1.00 3.32 C ATOM 473 O GLN A 29 2.420 -4.113 3.875 1.00 51.01 O ATOM 474 CB GLN A 29 0.007 -6.108 4.356 1.00 41.35 C ATOM 475 CG GLN A 29 -1.151 -5.769 3.412 1.00 4.31 C ATOM 476 CD GLN A 29 -2.520 -5.969 4.046 1.00 1.44 C ATOM 477 OE1 GLN A 29 -2.686 -5.843 5.249 1.00 20.34 O ATOM 478 NE2 GLN A 29 -3.510 -6.277 3.240 1.00 32.15 N ATOM 0 H GLN A 29 -1.463 -4.457 5.595 1.00 31.04 H new ATOM 0 HA GLN A 29 1.276 -5.286 5.889 1.00 43.03 H new ATOM 0 HB2 GLN A 29 0.822 -6.533 3.771 1.00 41.35 H new ATOM 0 HB3 GLN A 29 -0.323 -6.880 5.051 1.00 41.35 H new ATOM 0 HG2 GLN A 29 -1.056 -4.733 3.088 1.00 4.31 H new ATOM 0 HG3 GLN A 29 -1.077 -6.390 2.519 1.00 4.31 H new ATOM 0 HE21 GLN A 29 -3.341 -6.376 2.239 1.00 32.15 H new ATOM 0 HE22 GLN A 29 -4.448 -6.418 3.615 1.00 32.15 H new ATOM 487 N LEU A 30 0.548 -2.866 3.829 1.00 31.41 N ATOM 488 CA LEU A 30 1.113 -1.842 2.941 1.00 74.55 C ATOM 489 C LEU A 30 1.945 -0.805 3.718 1.00 20.41 C ATOM 490 O LEU A 30 2.828 -0.160 3.152 1.00 4.52 O ATOM 491 CB LEU A 30 -0.005 -1.148 2.152 1.00 61.45 C ATOM 492 CG LEU A 30 -0.819 -2.066 1.223 1.00 13.41 C ATOM 493 CD1 LEU A 30 -1.894 -1.275 0.481 1.00 55.31 C ATOM 494 CD2 LEU A 30 0.094 -2.794 0.237 1.00 33.13 C ATOM 0 H LEU A 30 -0.419 -2.694 4.105 1.00 31.41 H new ATOM 0 HA LEU A 30 1.784 -2.344 2.244 1.00 74.55 H new ATOM 0 HB2 LEU A 30 -0.687 -0.676 2.859 1.00 61.45 H new ATOM 0 HB3 LEU A 30 0.436 -0.351 1.553 1.00 61.45 H new ATOM 0 HG LEU A 30 -1.314 -2.814 1.842 1.00 13.41 H new ATOM 0 HD11 LEU A 30 -2.456 -1.946 -0.169 1.00 55.31 H new ATOM 0 HD12 LEU A 30 -2.571 -0.817 1.202 1.00 55.31 H new ATOM 0 HD13 LEU A 30 -1.423 -0.497 -0.120 1.00 55.31 H new ATOM 0 HD21 LEU A 30 -0.506 -3.436 -0.408 1.00 33.13 H new ATOM 0 HD22 LEU A 30 0.627 -2.064 -0.372 1.00 33.13 H new ATOM 0 HD23 LEU A 30 0.813 -3.402 0.787 1.00 33.13 H new ATOM 506 N ARG A 31 1.664 -0.642 5.016 1.00 64.02 N ATOM 507 CA ARG A 31 2.471 0.244 5.868 1.00 72.35 C ATOM 508 C ARG A 31 2.852 -0.418 7.210 1.00 42.11 C ATOM 509 O ARG A 31 2.377 -0.023 8.276 1.00 2.33 O ATOM 510 CB ARG A 31 1.768 1.598 6.107 1.00 51.14 C ATOM 511 CG ARG A 31 0.405 1.521 6.807 1.00 50.45 C ATOM 512 CD ARG A 31 -0.045 2.904 7.277 1.00 12.21 C ATOM 513 NE ARG A 31 -1.334 2.883 7.971 1.00 22.00 N ATOM 514 CZ ARG A 31 -1.553 3.447 9.135 1.00 62.04 C ATOM 515 NH1 ARG A 31 -0.588 4.008 9.794 1.00 71.44 N ATOM 516 NH2 ARG A 31 -2.744 3.444 9.636 1.00 72.52 N ATOM 0 H ARG A 31 0.893 -1.106 5.497 1.00 64.02 H new ATOM 0 HA ARG A 31 3.397 0.433 5.325 1.00 72.35 H new ATOM 0 HB2 ARG A 31 2.427 2.230 6.702 1.00 51.14 H new ATOM 0 HB3 ARG A 31 1.635 2.093 5.145 1.00 51.14 H new ATOM 0 HG2 ARG A 31 -0.336 1.105 6.124 1.00 50.45 H new ATOM 0 HG3 ARG A 31 0.467 0.845 7.660 1.00 50.45 H new ATOM 0 HD2 ARG A 31 0.712 3.319 7.942 1.00 12.21 H new ATOM 0 HD3 ARG A 31 -0.113 3.569 6.416 1.00 12.21 H new ATOM 0 HE ARG A 31 -2.111 2.399 7.521 1.00 22.00 H new ATOM 0 HH11 ARG A 31 0.356 4.015 9.409 1.00 71.44 H new ATOM 0 HH12 ARG A 31 -0.773 4.443 10.698 1.00 71.44 H new ATOM 0 HH21 ARG A 31 -3.510 3.004 9.127 1.00 72.52 H new ATOM 0 HH22 ARG A 31 -2.918 3.882 10.541 1.00 72.52 H new ATOM 530 N PRO A 32 3.715 -1.454 7.174 1.00 33.22 N ATOM 531 CA PRO A 32 4.276 -2.063 8.387 1.00 24.42 C ATOM 532 C PRO A 32 5.567 -1.362 8.847 1.00 24.21 C ATOM 533 O PRO A 32 6.282 -1.853 9.722 1.00 64.11 O ATOM 534 CB PRO A 32 4.563 -3.492 7.925 1.00 75.21 C ATOM 535 CG PRO A 32 4.941 -3.346 6.486 1.00 53.23 C ATOM 536 CD PRO A 32 4.183 -2.146 5.955 1.00 33.04 C ATOM 0 HA PRO A 32 3.608 -1.996 9.246 1.00 24.42 H new ATOM 0 HB2 PRO A 32 5.369 -3.943 8.504 1.00 75.21 H new ATOM 0 HB3 PRO A 32 3.688 -4.132 8.044 1.00 75.21 H new ATOM 0 HG2 PRO A 32 6.016 -3.202 6.381 1.00 53.23 H new ATOM 0 HG3 PRO A 32 4.684 -4.245 5.925 1.00 53.23 H new ATOM 0 HD2 PRO A 32 4.824 -1.503 5.352 1.00 33.04 H new ATOM 0 HD3 PRO A 32 3.349 -2.448 5.322 1.00 33.04 H new ATOM 544 N LEU A 33 5.852 -0.209 8.241 1.00 53.35 N ATOM 545 CA LEU A 33 7.045 0.582 8.562 1.00 3.04 C ATOM 546 C LEU A 33 7.001 1.098 10.016 1.00 75.13 C ATOM 547 O LEU A 33 5.955 1.544 10.482 1.00 74.43 O ATOM 548 CB LEU A 33 7.174 1.771 7.587 1.00 32.32 C ATOM 549 CG LEU A 33 7.602 1.423 6.143 1.00 50.05 C ATOM 550 CD1 LEU A 33 6.585 0.513 5.454 1.00 4.10 C ATOM 551 CD2 LEU A 33 7.820 2.697 5.326 1.00 63.14 C ATOM 0 H LEU A 33 5.266 0.204 7.516 1.00 53.35 H new ATOM 0 HA LEU A 33 7.915 -0.067 8.457 1.00 3.04 H new ATOM 0 HB2 LEU A 33 6.214 2.286 7.546 1.00 32.32 H new ATOM 0 HB3 LEU A 33 7.897 2.475 7.999 1.00 32.32 H new ATOM 0 HG LEU A 33 8.544 0.878 6.203 1.00 50.05 H new ATOM 0 HD11 LEU A 33 6.922 0.292 4.441 1.00 4.10 H new ATOM 0 HD12 LEU A 33 6.489 -0.416 6.016 1.00 4.10 H new ATOM 0 HD13 LEU A 33 5.618 1.014 5.413 1.00 4.10 H new ATOM 0 HD21 LEU A 33 8.121 2.432 4.312 1.00 63.14 H new ATOM 0 HD22 LEU A 33 6.893 3.270 5.292 1.00 63.14 H new ATOM 0 HD23 LEU A 33 8.601 3.298 5.791 1.00 63.14 H new ATOM 563 N PRO A 34 8.149 1.061 10.736 1.00 61.21 N ATOM 564 CA PRO A 34 8.230 1.435 12.165 1.00 54.33 C ATOM 565 C PRO A 34 7.515 2.761 12.514 1.00 13.20 C ATOM 566 O PRO A 34 6.539 2.765 13.268 1.00 32.14 O ATOM 567 CB PRO A 34 9.750 1.545 12.431 1.00 43.03 C ATOM 568 CG PRO A 34 10.410 1.413 11.093 1.00 15.12 C ATOM 569 CD PRO A 34 9.462 0.632 10.230 1.00 75.20 C ATOM 0 HA PRO A 34 7.722 0.697 12.786 1.00 54.33 H new ATOM 0 HB2 PRO A 34 9.997 2.499 12.896 1.00 43.03 H new ATOM 0 HB3 PRO A 34 10.085 0.762 13.111 1.00 43.03 H new ATOM 0 HG2 PRO A 34 10.612 2.393 10.661 1.00 15.12 H new ATOM 0 HG3 PRO A 34 11.368 0.900 11.181 1.00 15.12 H new ATOM 0 HD2 PRO A 34 9.587 0.867 9.173 1.00 75.20 H new ATOM 0 HD3 PRO A 34 9.607 -0.443 10.337 1.00 75.20 H new ATOM 577 N ALA A 35 8.005 3.882 11.978 1.00 43.11 N ATOM 578 CA ALA A 35 7.407 5.198 12.261 1.00 11.40 C ATOM 579 C ALA A 35 7.499 6.145 11.053 1.00 25.44 C ATOM 580 O ALA A 35 7.532 7.368 11.208 1.00 22.02 O ATOM 581 CB ALA A 35 8.084 5.822 13.479 1.00 5.21 C ATOM 0 H ALA A 35 8.808 3.910 11.350 1.00 43.11 H new ATOM 0 HA ALA A 35 6.348 5.045 12.471 1.00 11.40 H new ATOM 0 HB1 ALA A 35 7.638 6.795 13.684 1.00 5.21 H new ATOM 0 HB2 ALA A 35 7.949 5.172 14.343 1.00 5.21 H new ATOM 0 HB3 ALA A 35 9.149 5.945 13.280 1.00 5.21 H new ATOM 587 N HIS A 36 7.510 5.578 9.847 1.00 53.02 N ATOM 588 CA HIS A 36 7.618 6.377 8.616 1.00 71.02 C ATOM 589 C HIS A 36 6.227 6.801 8.103 1.00 13.03 C ATOM 590 O HIS A 36 5.202 6.408 8.662 1.00 22.42 O ATOM 591 CB HIS A 36 8.370 5.587 7.537 1.00 74.21 C ATOM 592 CG HIS A 36 9.663 4.999 8.021 1.00 10.43 C ATOM 593 ND1 HIS A 36 10.681 5.744 8.577 1.00 51.22 N ATOM 594 CD2 HIS A 36 10.096 3.719 8.040 1.00 34.13 C ATOM 595 CE1 HIS A 36 11.675 4.949 8.917 1.00 72.20 C ATOM 596 NE2 HIS A 36 11.345 3.715 8.604 1.00 70.32 N ATOM 0 H HIS A 36 7.446 4.572 9.691 1.00 53.02 H new ATOM 0 HA HIS A 36 8.179 7.282 8.847 1.00 71.02 H new ATOM 0 HB2 HIS A 36 7.729 4.785 7.172 1.00 74.21 H new ATOM 0 HB3 HIS A 36 8.572 6.244 6.691 1.00 74.21 H new ATOM 0 HD2 HIS A 36 9.556 2.857 7.677 1.00 34.13 H new ATOM 0 HE1 HIS A 36 12.603 5.258 9.375 1.00 72.20 H new ATOM 0 HE2 HIS A 36 11.924 2.889 8.756 1.00 70.32 H new ATOM 605 N ASP A 37 6.200 7.601 7.036 1.00 72.40 N ATOM 606 CA ASP A 37 4.947 8.150 6.500 1.00 22.32 C ATOM 607 C ASP A 37 4.289 7.199 5.479 1.00 75.25 C ATOM 608 O ASP A 37 4.902 6.235 5.019 1.00 64.11 O ATOM 609 CB ASP A 37 5.230 9.519 5.860 1.00 62.12 C ATOM 610 CG ASP A 37 3.974 10.235 5.389 1.00 32.55 C ATOM 611 OD1 ASP A 37 3.004 10.327 6.171 1.00 24.41 O ATOM 612 OD2 ASP A 37 3.945 10.705 4.236 1.00 63.14 O ATOM 0 H ASP A 37 7.034 7.886 6.522 1.00 72.40 H new ATOM 0 HA ASP A 37 4.242 8.265 7.324 1.00 22.32 H new ATOM 0 HB2 ASP A 37 5.750 10.149 6.582 1.00 62.12 H new ATOM 0 HB3 ASP A 37 5.902 9.384 5.013 1.00 62.12 H new ATOM 617 N TYR A 38 3.032 7.486 5.139 1.00 42.23 N ATOM 618 CA TYR A 38 2.266 6.682 4.175 1.00 73.33 C ATOM 619 C TYR A 38 1.423 7.579 3.251 1.00 1.31 C ATOM 620 O TYR A 38 1.625 8.791 3.196 1.00 54.34 O ATOM 621 CB TYR A 38 1.365 5.691 4.929 1.00 14.12 C ATOM 622 CG TYR A 38 0.445 6.342 5.948 1.00 14.20 C ATOM 623 CD1 TYR A 38 0.851 6.521 7.268 1.00 30.42 C ATOM 624 CD2 TYR A 38 -0.831 6.772 5.593 1.00 65.10 C ATOM 625 CE1 TYR A 38 0.018 7.110 8.199 1.00 40.21 C ATOM 626 CE2 TYR A 38 -1.670 7.361 6.519 1.00 74.23 C ATOM 627 CZ TYR A 38 -1.240 7.528 7.821 1.00 1.51 C ATOM 628 OH TYR A 38 -2.071 8.113 8.749 1.00 44.20 O ATOM 0 H TYR A 38 2.514 8.278 5.520 1.00 42.23 H new ATOM 0 HA TYR A 38 2.967 6.128 3.551 1.00 73.33 H new ATOM 0 HB2 TYR A 38 0.760 5.144 4.206 1.00 14.12 H new ATOM 0 HB3 TYR A 38 1.993 4.959 5.437 1.00 14.12 H new ATOM 0 HD1 TYR A 38 1.835 6.193 7.569 1.00 30.42 H new ATOM 0 HD2 TYR A 38 -1.171 6.643 4.576 1.00 65.10 H new ATOM 0 HE1 TYR A 38 0.351 7.242 9.218 1.00 40.21 H new ATOM 0 HE2 TYR A 38 -2.657 7.689 6.227 1.00 74.23 H new ATOM 0 HH TYR A 38 -2.921 8.352 8.323 1.00 44.20 H new ATOM 638 N PHE A 39 0.484 6.986 2.519 1.00 61.52 N ATOM 639 CA PHE A 39 -0.403 7.749 1.629 1.00 44.32 C ATOM 640 C PHE A 39 -1.816 7.141 1.592 1.00 21.14 C ATOM 641 O PHE A 39 -2.164 6.307 2.427 1.00 35.45 O ATOM 642 CB PHE A 39 0.195 7.813 0.210 1.00 3.34 C ATOM 643 CG PHE A 39 0.624 9.194 -0.220 1.00 24.53 C ATOM 644 CD1 PHE A 39 -0.280 10.058 -0.826 1.00 61.04 C ATOM 645 CD2 PHE A 39 1.930 9.626 -0.027 1.00 72.31 C ATOM 646 CE1 PHE A 39 0.110 11.323 -1.226 1.00 71.14 C ATOM 647 CE2 PHE A 39 2.322 10.891 -0.424 1.00 61.44 C ATOM 648 CZ PHE A 39 1.412 11.739 -1.025 1.00 22.34 C ATOM 0 H PHE A 39 0.313 5.980 2.521 1.00 61.52 H new ATOM 0 HA PHE A 39 -0.488 8.762 2.023 1.00 44.32 H new ATOM 0 HB2 PHE A 39 1.056 7.146 0.160 1.00 3.34 H new ATOM 0 HB3 PHE A 39 -0.542 7.436 -0.500 1.00 3.34 H new ATOM 0 HD1 PHE A 39 -1.299 9.738 -0.986 1.00 61.04 H new ATOM 0 HD2 PHE A 39 2.647 8.966 0.438 1.00 72.31 H new ATOM 0 HE1 PHE A 39 -0.603 11.985 -1.695 1.00 71.14 H new ATOM 0 HE2 PHE A 39 3.339 11.216 -0.264 1.00 61.44 H new ATOM 0 HZ PHE A 39 1.718 12.726 -1.337 1.00 22.34 H new ATOM 658 N GLU A 40 -2.622 7.570 0.622 1.00 51.33 N ATOM 659 CA GLU A 40 -4.015 7.118 0.504 1.00 74.55 C ATOM 660 C GLU A 40 -4.128 5.610 0.199 1.00 15.15 C ATOM 661 O GLU A 40 -3.339 5.049 -0.566 1.00 2.44 O ATOM 662 CB GLU A 40 -4.748 7.924 -0.584 1.00 32.13 C ATOM 663 CG GLU A 40 -4.142 7.793 -1.983 1.00 14.02 C ATOM 664 CD GLU A 40 -4.949 8.529 -3.046 1.00 13.03 C ATOM 665 OE1 GLU A 40 -5.985 7.988 -3.492 1.00 61.22 O ATOM 666 OE2 GLU A 40 -4.555 9.653 -3.435 1.00 71.53 O ATOM 0 H GLU A 40 -2.336 8.233 -0.098 1.00 51.33 H new ATOM 0 HA GLU A 40 -4.484 7.290 1.473 1.00 74.55 H new ATOM 0 HB2 GLU A 40 -5.788 7.600 -0.620 1.00 32.13 H new ATOM 0 HB3 GLU A 40 -4.751 8.976 -0.300 1.00 32.13 H new ATOM 0 HG2 GLU A 40 -3.124 8.183 -1.971 1.00 14.02 H new ATOM 0 HG3 GLU A 40 -4.076 6.738 -2.249 1.00 14.02 H new ATOM 673 N PHE A 41 -5.117 4.967 0.823 1.00 20.22 N ATOM 674 CA PHE A 41 -5.447 3.561 0.552 1.00 41.22 C ATOM 675 C PHE A 41 -6.883 3.455 0.015 1.00 64.34 C ATOM 676 O PHE A 41 -7.830 3.876 0.683 1.00 52.35 O ATOM 677 CB PHE A 41 -5.311 2.713 1.827 1.00 3.42 C ATOM 678 CG PHE A 41 -3.937 2.760 2.447 1.00 43.35 C ATOM 679 CD1 PHE A 41 -2.912 1.959 1.962 1.00 44.25 C ATOM 680 CD2 PHE A 41 -3.669 3.610 3.513 1.00 75.01 C ATOM 681 CE1 PHE A 41 -1.650 2.007 2.524 1.00 4.44 C ATOM 682 CE2 PHE A 41 -2.410 3.659 4.079 1.00 0.35 C ATOM 683 CZ PHE A 41 -1.399 2.859 3.584 1.00 21.42 C ATOM 0 H PHE A 41 -5.712 5.402 1.529 1.00 20.22 H new ATOM 0 HA PHE A 41 -4.749 3.183 -0.195 1.00 41.22 H new ATOM 0 HB2 PHE A 41 -6.042 3.056 2.560 1.00 3.42 H new ATOM 0 HB3 PHE A 41 -5.558 1.678 1.591 1.00 3.42 H new ATOM 0 HD1 PHE A 41 -3.103 1.290 1.136 1.00 44.25 H new ATOM 0 HD2 PHE A 41 -4.454 4.240 3.904 1.00 75.01 H new ATOM 0 HE1 PHE A 41 -0.861 1.380 2.136 1.00 4.44 H new ATOM 0 HE2 PHE A 41 -2.216 4.323 4.909 1.00 0.35 H new ATOM 0 HZ PHE A 41 -0.414 2.899 4.024 1.00 21.42 H new ATOM 693 N PHE A 42 -7.041 2.905 -1.188 1.00 70.35 N ATOM 694 CA PHE A 42 -8.359 2.830 -1.840 1.00 14.44 C ATOM 695 C PHE A 42 -9.377 2.014 -1.016 1.00 62.05 C ATOM 696 O PHE A 42 -9.017 1.062 -0.319 1.00 30.20 O ATOM 697 CB PHE A 42 -8.228 2.239 -3.252 1.00 43.22 C ATOM 698 CG PHE A 42 -7.816 0.784 -3.290 1.00 65.43 C ATOM 699 CD1 PHE A 42 -6.490 0.415 -3.106 1.00 22.42 C ATOM 700 CD2 PHE A 42 -8.758 -0.213 -3.508 1.00 14.44 C ATOM 701 CE1 PHE A 42 -6.116 -0.916 -3.141 1.00 60.44 C ATOM 702 CE2 PHE A 42 -8.387 -1.545 -3.544 1.00 23.51 C ATOM 703 CZ PHE A 42 -7.064 -1.896 -3.359 1.00 11.44 C ATOM 0 H PHE A 42 -6.279 2.504 -1.734 1.00 70.35 H new ATOM 0 HA PHE A 42 -8.738 3.850 -1.908 1.00 14.44 H new ATOM 0 HB2 PHE A 42 -9.183 2.346 -3.766 1.00 43.22 H new ATOM 0 HB3 PHE A 42 -7.498 2.825 -3.810 1.00 43.22 H new ATOM 0 HD1 PHE A 42 -5.743 1.176 -2.934 1.00 22.42 H new ATOM 0 HD2 PHE A 42 -9.794 0.055 -3.651 1.00 14.44 H new ATOM 0 HE1 PHE A 42 -5.081 -1.189 -2.998 1.00 60.44 H new ATOM 0 HE2 PHE A 42 -9.130 -2.309 -3.716 1.00 23.51 H new ATOM 0 HZ PHE A 42 -6.771 -2.935 -3.385 1.00 11.44 H new ATOM 713 N ALA A 43 -10.652 2.394 -1.101 1.00 12.03 N ATOM 714 CA ALA A 43 -11.721 1.691 -0.383 1.00 23.11 C ATOM 715 C ALA A 43 -12.760 1.097 -1.351 1.00 32.13 C ATOM 716 O ALA A 43 -13.760 1.739 -1.682 1.00 30.41 O ATOM 717 CB ALA A 43 -12.390 2.630 0.612 1.00 2.44 C ATOM 0 H ALA A 43 -10.972 3.185 -1.660 1.00 12.03 H new ATOM 0 HA ALA A 43 -11.270 0.861 0.161 1.00 23.11 H new ATOM 0 HB1 ALA A 43 -13.182 2.098 1.139 1.00 2.44 H new ATOM 0 HB2 ALA A 43 -11.651 2.985 1.330 1.00 2.44 H new ATOM 0 HB3 ALA A 43 -12.817 3.480 0.080 1.00 2.44 H new ATOM 723 N ALA A 44 -12.504 -0.128 -1.810 1.00 51.34 N ATOM 724 CA ALA A 44 -13.415 -0.828 -2.723 1.00 1.10 C ATOM 725 C ALA A 44 -13.778 -2.222 -2.184 1.00 21.21 C ATOM 726 O ALA A 44 -12.947 -3.130 -2.180 1.00 13.14 O ATOM 727 CB ALA A 44 -12.788 -0.933 -4.110 1.00 22.34 C ATOM 0 H ALA A 44 -11.669 -0.660 -1.564 1.00 51.34 H new ATOM 0 HA ALA A 44 -14.337 -0.251 -2.797 1.00 1.10 H new ATOM 0 HB1 ALA A 44 -13.472 -1.454 -4.780 1.00 22.34 H new ATOM 0 HB2 ALA A 44 -12.592 0.067 -4.497 1.00 22.34 H new ATOM 0 HB3 ALA A 44 -11.852 -1.487 -4.045 1.00 22.34 H new ATOM 733 N ASP A 45 -15.022 -2.374 -1.736 1.00 51.54 N ATOM 734 CA ASP A 45 -15.487 -3.617 -1.108 1.00 33.22 C ATOM 735 C ASP A 45 -15.605 -4.772 -2.121 1.00 44.05 C ATOM 736 O ASP A 45 -16.248 -4.639 -3.166 1.00 21.21 O ATOM 737 CB ASP A 45 -16.840 -3.373 -0.433 1.00 40.25 C ATOM 738 CG ASP A 45 -16.813 -2.153 0.470 1.00 41.24 C ATOM 739 OD1 ASP A 45 -17.082 -1.038 -0.030 1.00 54.32 O ATOM 740 OD2 ASP A 45 -16.513 -2.300 1.670 1.00 61.33 O ATOM 0 H ASP A 45 -15.735 -1.647 -1.795 1.00 51.54 H new ATOM 0 HA ASP A 45 -14.746 -3.912 -0.365 1.00 33.22 H new ATOM 0 HB2 ASP A 45 -17.607 -3.242 -1.196 1.00 40.25 H new ATOM 0 HB3 ASP A 45 -17.117 -4.250 0.151 1.00 40.25 H new ATOM 745 N LEU A 46 -14.984 -5.905 -1.792 1.00 34.23 N ATOM 746 CA LEU A 46 -15.007 -7.103 -2.647 1.00 31.05 C ATOM 747 C LEU A 46 -16.440 -7.543 -3.014 1.00 62.12 C ATOM 748 O LEU A 46 -17.264 -7.819 -2.140 1.00 64.00 O ATOM 749 CB LEU A 46 -14.260 -8.271 -1.969 1.00 33.41 C ATOM 750 CG LEU A 46 -14.884 -8.846 -0.675 1.00 25.41 C ATOM 751 CD1 LEU A 46 -14.126 -10.092 -0.228 1.00 14.24 C ATOM 752 CD2 LEU A 46 -14.905 -7.810 0.449 1.00 24.33 C ATOM 0 H LEU A 46 -14.452 -6.023 -0.930 1.00 34.23 H new ATOM 0 HA LEU A 46 -14.499 -6.833 -3.573 1.00 31.05 H new ATOM 0 HB2 LEU A 46 -14.172 -9.082 -2.692 1.00 33.41 H new ATOM 0 HB3 LEU A 46 -13.248 -7.938 -1.738 1.00 33.41 H new ATOM 0 HG LEU A 46 -15.916 -9.117 -0.899 1.00 25.41 H new ATOM 0 HD11 LEU A 46 -14.577 -10.485 0.683 1.00 14.24 H new ATOM 0 HD12 LEU A 46 -14.174 -10.848 -1.012 1.00 14.24 H new ATOM 0 HD13 LEU A 46 -13.084 -9.835 -0.036 1.00 14.24 H new ATOM 0 HD21 LEU A 46 -15.350 -8.250 1.341 1.00 24.33 H new ATOM 0 HD22 LEU A 46 -13.886 -7.493 0.671 1.00 24.33 H new ATOM 0 HD23 LEU A 46 -15.494 -6.947 0.138 1.00 24.33 H new ATOM 866 N TYR A 53 -11.630 0.705 -10.439 1.00 30.33 N ATOM 867 CA TYR A 53 -10.318 0.283 -9.934 1.00 44.45 C ATOM 868 C TYR A 53 -9.528 1.467 -9.348 1.00 40.42 C ATOM 869 O TYR A 53 -9.652 2.606 -9.801 1.00 70.04 O ATOM 870 CB TYR A 53 -9.505 -0.388 -11.054 1.00 51.33 C ATOM 871 CG TYR A 53 -9.076 0.556 -12.169 1.00 43.13 C ATOM 872 CD1 TYR A 53 -9.989 1.027 -13.109 1.00 21.40 C ATOM 873 CD2 TYR A 53 -7.751 0.970 -12.282 1.00 30.40 C ATOM 874 CE1 TYR A 53 -9.596 1.883 -14.121 1.00 30.50 C ATOM 875 CE2 TYR A 53 -7.353 1.825 -13.291 1.00 32.22 C ATOM 876 CZ TYR A 53 -8.278 2.278 -14.208 1.00 0.11 C ATOM 877 OH TYR A 53 -7.882 3.129 -15.218 1.00 60.33 O ATOM 0 HA TYR A 53 -10.489 -0.436 -9.133 1.00 44.45 H new ATOM 0 HB2 TYR A 53 -8.616 -0.844 -10.618 1.00 51.33 H new ATOM 0 HB3 TYR A 53 -10.099 -1.194 -11.485 1.00 51.33 H new ATOM 0 HD1 TYR A 53 -11.022 0.718 -13.046 1.00 21.40 H new ATOM 0 HD2 TYR A 53 -7.022 0.616 -11.568 1.00 30.40 H new ATOM 0 HE1 TYR A 53 -10.318 2.241 -14.840 1.00 30.50 H new ATOM 0 HE2 TYR A 53 -6.322 2.138 -13.362 1.00 32.22 H new ATOM 0 HH TYR A 53 -6.922 3.310 -15.136 1.00 60.33 H new ATOM 887 N SER A 54 -8.713 1.186 -8.336 1.00 61.04 N ATOM 888 CA SER A 54 -7.875 2.209 -7.694 1.00 13.44 C ATOM 889 C SER A 54 -6.653 1.558 -7.039 1.00 30.33 C ATOM 890 O SER A 54 -6.556 0.333 -6.974 1.00 23.35 O ATOM 891 CB SER A 54 -8.673 3.003 -6.642 1.00 1.34 C ATOM 892 OG SER A 54 -9.765 3.710 -7.224 1.00 23.22 O ATOM 0 H SER A 54 -8.611 0.253 -7.936 1.00 61.04 H new ATOM 0 HA SER A 54 -7.542 2.903 -8.466 1.00 13.44 H new ATOM 0 HB2 SER A 54 -9.048 2.320 -5.880 1.00 1.34 H new ATOM 0 HB3 SER A 54 -8.010 3.708 -6.140 1.00 1.34 H new ATOM 0 HG SER A 54 -9.782 3.548 -8.190 1.00 23.22 H new ATOM 898 N ARG A 55 -5.729 2.370 -6.545 1.00 63.23 N ATOM 899 CA ARG A 55 -4.481 1.856 -5.967 1.00 40.21 C ATOM 900 C ARG A 55 -4.071 2.632 -4.709 1.00 1.14 C ATOM 901 O ARG A 55 -4.664 3.657 -4.372 1.00 44.22 O ATOM 902 CB ARG A 55 -3.360 1.940 -7.009 1.00 32.41 C ATOM 903 CG ARG A 55 -3.086 3.364 -7.480 1.00 45.03 C ATOM 904 CD ARG A 55 -2.051 3.413 -8.594 1.00 11.53 C ATOM 905 NE ARG A 55 -1.792 4.784 -9.017 1.00 71.20 N ATOM 906 CZ ARG A 55 -1.139 5.121 -10.092 1.00 22.42 C ATOM 907 NH1 ARG A 55 -0.689 4.221 -10.906 1.00 13.30 N ATOM 908 NH2 ARG A 55 -0.946 6.371 -10.352 1.00 51.12 N ATOM 0 H ARG A 55 -5.813 3.386 -6.530 1.00 63.23 H new ATOM 0 HA ARG A 55 -4.650 0.819 -5.678 1.00 40.21 H new ATOM 0 HB2 ARG A 55 -2.447 1.522 -6.586 1.00 32.41 H new ATOM 0 HB3 ARG A 55 -3.624 1.324 -7.869 1.00 32.41 H new ATOM 0 HG2 ARG A 55 -4.015 3.814 -7.830 1.00 45.03 H new ATOM 0 HG3 ARG A 55 -2.739 3.963 -6.638 1.00 45.03 H new ATOM 0 HD2 ARG A 55 -1.123 2.954 -8.252 1.00 11.53 H new ATOM 0 HD3 ARG A 55 -2.401 2.828 -9.444 1.00 11.53 H new ATOM 0 HE ARG A 55 -2.149 5.535 -8.427 1.00 71.20 H new ATOM 0 HH11 ARG A 55 -0.844 3.232 -10.709 1.00 13.30 H new ATOM 0 HH12 ARG A 55 -0.179 4.501 -11.744 1.00 13.30 H new ATOM 0 HH21 ARG A 55 -1.304 7.085 -9.718 1.00 51.12 H new ATOM 0 HH22 ARG A 55 -0.436 6.644 -11.192 1.00 51.12 H new ATOM 922 N ALA A 56 -3.045 2.133 -4.027 1.00 74.52 N ATOM 923 CA ALA A 56 -2.497 2.798 -2.841 1.00 74.33 C ATOM 924 C ALA A 56 -1.091 3.345 -3.124 1.00 64.42 C ATOM 925 O ALA A 56 -0.415 2.897 -4.053 1.00 12.53 O ATOM 926 CB ALA A 56 -2.461 1.829 -1.667 1.00 15.25 C ATOM 0 H ALA A 56 -2.571 1.265 -4.274 1.00 74.52 H new ATOM 0 HA ALA A 56 -3.144 3.637 -2.587 1.00 74.33 H new ATOM 0 HB1 ALA A 56 -2.052 2.333 -0.791 1.00 15.25 H new ATOM 0 HB2 ALA A 56 -3.472 1.484 -1.448 1.00 15.25 H new ATOM 0 HB3 ALA A 56 -1.833 0.975 -1.920 1.00 15.25 H new ATOM 932 N TYR A 57 -0.652 4.313 -2.326 1.00 32.21 N ATOM 933 CA TYR A 57 0.687 4.894 -2.486 1.00 64.13 C ATOM 934 C TYR A 57 1.501 4.781 -1.190 1.00 21.34 C ATOM 935 O TYR A 57 0.951 4.849 -0.091 1.00 4.33 O ATOM 936 CB TYR A 57 0.590 6.368 -2.906 1.00 14.11 C ATOM 937 CG TYR A 57 -0.086 6.594 -4.246 1.00 4.33 C ATOM 938 CD1 TYR A 57 -1.469 6.706 -4.338 1.00 12.14 C ATOM 939 CD2 TYR A 57 0.659 6.705 -5.415 1.00 74.11 C ATOM 940 CE1 TYR A 57 -2.089 6.923 -5.551 1.00 41.32 C ATOM 941 CE2 TYR A 57 0.046 6.921 -6.634 1.00 23.44 C ATOM 942 CZ TYR A 57 -1.328 7.030 -6.696 1.00 14.31 C ATOM 943 OH TYR A 57 -1.946 7.252 -7.908 1.00 12.03 O ATOM 0 H TYR A 57 -1.198 4.714 -1.563 1.00 32.21 H new ATOM 0 HA TYR A 57 1.198 4.331 -3.267 1.00 64.13 H new ATOM 0 HB2 TYR A 57 0.043 6.917 -2.139 1.00 14.11 H new ATOM 0 HB3 TYR A 57 1.595 6.789 -2.944 1.00 14.11 H new ATOM 0 HD1 TYR A 57 -2.069 6.622 -3.444 1.00 12.14 H new ATOM 0 HD2 TYR A 57 1.735 6.621 -5.369 1.00 74.11 H new ATOM 0 HE1 TYR A 57 -3.164 7.009 -5.604 1.00 41.32 H new ATOM 0 HE2 TYR A 57 0.639 7.004 -7.533 1.00 23.44 H new ATOM 0 HH TYR A 57 -1.747 8.161 -8.215 1.00 12.03 H new ATOM 953 N ILE A 58 2.811 4.613 -1.332 1.00 3.21 N ATOM 954 CA ILE A 58 3.725 4.533 -0.187 1.00 30.02 C ATOM 955 C ILE A 58 4.909 5.497 -0.386 1.00 30.12 C ATOM 956 O ILE A 58 5.283 5.800 -1.520 1.00 34.42 O ATOM 957 CB ILE A 58 4.271 3.084 -0.002 1.00 14.23 C ATOM 958 CG1 ILE A 58 3.110 2.070 0.077 1.00 33.15 C ATOM 959 CG2 ILE A 58 5.158 2.987 1.243 1.00 13.11 C ATOM 960 CD1 ILE A 58 3.562 0.625 0.147 1.00 43.25 C ATOM 0 H ILE A 58 3.273 4.528 -2.238 1.00 3.21 H new ATOM 0 HA ILE A 58 3.165 4.813 0.705 1.00 30.02 H new ATOM 0 HB ILE A 58 4.881 2.840 -0.872 1.00 14.23 H new ATOM 0 HG12 ILE A 58 2.504 2.294 0.955 1.00 33.15 H new ATOM 0 HG13 ILE A 58 2.468 2.198 -0.795 1.00 33.15 H new ATOM 0 HG21 ILE A 58 5.526 1.966 1.349 1.00 13.11 H new ATOM 0 HG22 ILE A 58 6.003 3.668 1.142 1.00 13.11 H new ATOM 0 HG23 ILE A 58 4.578 3.257 2.125 1.00 13.11 H new ATOM 0 HD11 ILE A 58 2.690 -0.027 0.200 1.00 43.25 H new ATOM 0 HD12 ILE A 58 4.143 0.382 -0.743 1.00 43.25 H new ATOM 0 HD13 ILE A 58 4.179 0.479 1.034 1.00 43.25 H new ATOM 972 N ASN A 59 5.482 6.002 0.706 1.00 3.12 N ATOM 973 CA ASN A 59 6.697 6.820 0.618 1.00 61.14 C ATOM 974 C ASN A 59 7.651 6.502 1.780 1.00 13.41 C ATOM 975 O ASN A 59 7.275 6.556 2.951 1.00 25.34 O ATOM 976 CB ASN A 59 6.360 8.323 0.571 1.00 21.11 C ATOM 977 CG ASN A 59 5.876 8.885 1.897 1.00 65.24 C ATOM 978 OD1 ASN A 59 6.669 9.365 2.701 1.00 64.23 O ATOM 979 ND2 ASN A 59 4.583 8.832 2.135 1.00 54.44 N ATOM 0 H ASN A 59 5.131 5.863 1.654 1.00 3.12 H new ATOM 0 HA ASN A 59 7.203 6.570 -0.315 1.00 61.14 H new ATOM 0 HB2 ASN A 59 7.245 8.875 0.255 1.00 21.11 H new ATOM 0 HB3 ASN A 59 5.593 8.490 -0.185 1.00 21.11 H new ATOM 0 HD21 ASN A 59 4.210 9.197 3.011 1.00 54.44 H new ATOM 0 HD22 ASN A 59 3.953 8.426 1.443 1.00 54.44 H new ATOM 986 N PHE A 60 8.886 6.154 1.449 1.00 52.42 N ATOM 987 CA PHE A 60 9.876 5.777 2.456 1.00 43.23 C ATOM 988 C PHE A 60 10.694 6.985 2.925 1.00 0.22 C ATOM 989 O PHE A 60 11.622 7.421 2.251 1.00 54.20 O ATOM 990 CB PHE A 60 10.803 4.685 1.904 1.00 11.44 C ATOM 991 CG PHE A 60 10.143 3.336 1.784 1.00 32.25 C ATOM 992 CD1 PHE A 60 9.289 3.048 0.731 1.00 14.13 C ATOM 993 CD2 PHE A 60 10.380 2.355 2.730 1.00 73.24 C ATOM 994 CE1 PHE A 60 8.686 1.807 0.626 1.00 24.21 C ATOM 995 CE2 PHE A 60 9.785 1.114 2.633 1.00 31.44 C ATOM 996 CZ PHE A 60 8.937 0.837 1.579 1.00 20.24 C ATOM 0 H PHE A 60 9.230 6.124 0.489 1.00 52.42 H new ATOM 0 HA PHE A 60 9.340 5.387 3.321 1.00 43.23 H new ATOM 0 HB2 PHE A 60 11.166 4.991 0.923 1.00 11.44 H new ATOM 0 HB3 PHE A 60 11.674 4.597 2.553 1.00 11.44 H new ATOM 0 HD1 PHE A 60 9.092 3.802 -0.017 1.00 14.13 H new ATOM 0 HD2 PHE A 60 11.041 2.564 3.558 1.00 73.24 H new ATOM 0 HE1 PHE A 60 8.021 1.596 -0.198 1.00 24.21 H new ATOM 0 HE2 PHE A 60 9.982 0.360 3.381 1.00 31.44 H new ATOM 0 HZ PHE A 60 8.471 -0.134 1.499 1.00 20.24 H new ATOM 1006 N ARG A 61 10.328 7.523 4.088 1.00 70.21 N ATOM 1007 CA ARG A 61 11.072 8.630 4.708 1.00 33.45 C ATOM 1008 C ARG A 61 12.551 8.264 4.946 1.00 55.15 C ATOM 1009 O ARG A 61 13.404 9.143 5.079 1.00 13.33 O ATOM 1010 CB ARG A 61 10.433 9.008 6.053 1.00 12.25 C ATOM 1011 CG ARG A 61 9.012 9.569 5.967 1.00 34.35 C ATOM 1012 CD ARG A 61 8.968 10.937 5.291 1.00 73.02 C ATOM 1013 NE ARG A 61 7.709 11.636 5.558 1.00 23.22 N ATOM 1014 CZ ARG A 61 7.094 12.420 4.711 1.00 74.13 C ATOM 1015 NH1 ARG A 61 7.541 12.593 3.507 1.00 15.35 N ATOM 1016 NH2 ARG A 61 6.002 13.014 5.072 1.00 51.41 N ATOM 0 H ARG A 61 9.518 7.212 4.625 1.00 70.21 H new ATOM 0 HA ARG A 61 11.030 9.473 4.019 1.00 33.45 H new ATOM 0 HB2 ARG A 61 10.419 8.124 6.691 1.00 12.25 H new ATOM 0 HB3 ARG A 61 11.068 9.746 6.544 1.00 12.25 H new ATOM 0 HG2 ARG A 61 8.382 8.873 5.414 1.00 34.35 H new ATOM 0 HG3 ARG A 61 8.594 9.649 6.971 1.00 34.35 H new ATOM 0 HD2 ARG A 61 9.802 11.544 5.644 1.00 73.02 H new ATOM 0 HD3 ARG A 61 9.095 10.815 4.215 1.00 73.02 H new ATOM 0 HE ARG A 61 7.280 11.501 6.473 1.00 23.22 H new ATOM 0 HH11 ARG A 61 8.388 12.113 3.204 1.00 15.35 H new ATOM 0 HH12 ARG A 61 7.045 13.209 2.863 1.00 15.35 H new ATOM 0 HH21 ARG A 61 5.628 12.869 6.010 1.00 51.41 H new ATOM 0 HH22 ARG A 61 5.515 13.627 4.419 1.00 51.41 H new ATOM 1030 N ASN A 62 12.844 6.963 5.008 1.00 53.43 N ATOM 1031 CA ASN A 62 14.197 6.484 5.316 1.00 13.54 C ATOM 1032 C ASN A 62 14.789 5.670 4.149 1.00 22.00 C ATOM 1033 O ASN A 62 14.176 4.703 3.688 1.00 63.11 O ATOM 1034 CB ASN A 62 14.167 5.612 6.577 1.00 15.24 C ATOM 1035 CG ASN A 62 15.554 5.344 7.126 1.00 32.41 C ATOM 1036 OD1 ASN A 62 16.431 6.194 7.061 1.00 61.11 O ATOM 1037 ND2 ASN A 62 15.772 4.157 7.649 1.00 45.53 N ATOM 0 H ASN A 62 12.163 6.220 4.849 1.00 53.43 H new ATOM 0 HA ASN A 62 14.828 7.357 5.480 1.00 13.54 H new ATOM 0 HB2 ASN A 62 13.565 6.104 7.341 1.00 15.24 H new ATOM 0 HB3 ASN A 62 13.680 4.664 6.349 1.00 15.24 H new ATOM 0 HD21 ASN A 62 16.695 3.923 8.016 1.00 45.53 H new ATOM 0 HD22 ASN A 62 15.018 3.471 7.688 1.00 45.53 H new ATOM 1044 N PRO A 63 15.999 6.032 3.671 1.00 4.50 N ATOM 1045 CA PRO A 63 16.666 5.306 2.572 1.00 13.33 C ATOM 1046 C PRO A 63 16.968 3.831 2.916 1.00 50.32 C ATOM 1047 O PRO A 63 17.020 2.979 2.026 1.00 75.42 O ATOM 1048 CB PRO A 63 17.967 6.095 2.349 1.00 4.42 C ATOM 1049 CG PRO A 63 18.180 6.856 3.616 1.00 3.22 C ATOM 1050 CD PRO A 63 16.806 7.175 4.140 1.00 73.41 C ATOM 0 HA PRO A 63 16.031 5.252 1.687 1.00 13.33 H new ATOM 0 HB2 PRO A 63 18.804 5.427 2.145 1.00 4.42 H new ATOM 0 HB3 PRO A 63 17.880 6.767 1.495 1.00 4.42 H new ATOM 0 HG2 PRO A 63 18.746 6.265 4.336 1.00 3.22 H new ATOM 0 HG3 PRO A 63 18.750 7.767 3.434 1.00 3.22 H new ATOM 0 HD2 PRO A 63 16.797 7.256 5.227 1.00 73.41 H new ATOM 0 HD3 PRO A 63 16.433 8.121 3.747 1.00 73.41 H new ATOM 1058 N ASP A 64 17.165 3.534 4.204 1.00 73.24 N ATOM 1059 CA ASP A 64 17.418 2.156 4.650 1.00 32.40 C ATOM 1060 C ASP A 64 16.216 1.243 4.361 1.00 62.13 C ATOM 1061 O ASP A 64 16.352 0.188 3.739 1.00 53.41 O ATOM 1062 CB ASP A 64 17.737 2.129 6.146 1.00 1.45 C ATOM 1063 CG ASP A 64 18.961 2.955 6.487 1.00 73.11 C ATOM 1064 OD1 ASP A 64 20.072 2.582 6.057 1.00 54.44 O ATOM 1065 OD2 ASP A 64 18.817 3.985 7.177 1.00 54.43 O ATOM 0 H ASP A 64 17.155 4.224 4.955 1.00 73.24 H new ATOM 0 HA ASP A 64 18.275 1.782 4.091 1.00 32.40 H new ATOM 0 HB2 ASP A 64 16.880 2.505 6.705 1.00 1.45 H new ATOM 0 HB3 ASP A 64 17.897 1.098 6.463 1.00 1.45 H new ATOM 1070 N ASP A 65 15.036 1.663 4.809 1.00 14.01 N ATOM 1071 CA ASP A 65 13.805 0.901 4.588 1.00 21.20 C ATOM 1072 C ASP A 65 13.586 0.581 3.096 1.00 44.50 C ATOM 1073 O ASP A 65 13.021 -0.461 2.756 1.00 53.30 O ATOM 1074 CB ASP A 65 12.609 1.674 5.143 1.00 70.33 C ATOM 1075 CG ASP A 65 12.645 1.806 6.651 1.00 20.30 C ATOM 1076 OD1 ASP A 65 13.542 2.491 7.172 1.00 15.20 O ATOM 1077 OD2 ASP A 65 11.763 1.246 7.330 1.00 51.44 O ATOM 0 H ASP A 65 14.904 2.530 5.330 1.00 14.01 H new ATOM 0 HA ASP A 65 13.902 -0.048 5.114 1.00 21.20 H new ATOM 0 HB2 ASP A 65 12.585 2.668 4.696 1.00 70.33 H new ATOM 0 HB3 ASP A 65 11.688 1.170 4.849 1.00 70.33 H new ATOM 1082 N ILE A 66 14.056 1.470 2.216 1.00 31.11 N ATOM 1083 CA ILE A 66 13.946 1.269 0.763 1.00 71.35 C ATOM 1084 C ILE A 66 14.639 -0.031 0.309 1.00 14.31 C ATOM 1085 O ILE A 66 14.182 -0.693 -0.623 1.00 33.03 O ATOM 1086 CB ILE A 66 14.544 2.468 -0.020 1.00 51.20 C ATOM 1087 CG1 ILE A 66 13.824 3.769 0.374 1.00 23.34 C ATOM 1088 CG2 ILE A 66 14.455 2.239 -1.532 1.00 64.34 C ATOM 1089 CD1 ILE A 66 14.306 4.996 -0.372 1.00 4.30 C ATOM 0 H ILE A 66 14.518 2.339 2.483 1.00 31.11 H new ATOM 0 HA ILE A 66 12.881 1.192 0.542 1.00 71.35 H new ATOM 0 HB ILE A 66 15.598 2.556 0.242 1.00 51.20 H new ATOM 0 HG12 ILE A 66 12.755 3.647 0.198 1.00 23.34 H new ATOM 0 HG13 ILE A 66 13.954 3.933 1.444 1.00 23.34 H new ATOM 0 HG21 ILE A 66 14.881 3.095 -2.055 1.00 64.34 H new ATOM 0 HG22 ILE A 66 15.009 1.339 -1.797 1.00 64.34 H new ATOM 0 HG23 ILE A 66 13.411 2.120 -1.821 1.00 64.34 H new ATOM 0 HD11 ILE A 66 13.747 5.869 -0.035 1.00 4.30 H new ATOM 0 HD12 ILE A 66 15.368 5.147 -0.177 1.00 4.30 H new ATOM 0 HD13 ILE A 66 14.150 4.856 -1.442 1.00 4.30 H new ATOM 1101 N LEU A 67 15.743 -0.395 0.963 1.00 31.22 N ATOM 1102 CA LEU A 67 16.445 -1.650 0.647 1.00 44.01 C ATOM 1103 C LEU A 67 16.078 -2.766 1.641 1.00 31.25 C ATOM 1104 O LEU A 67 16.376 -3.940 1.413 1.00 65.44 O ATOM 1105 CB LEU A 67 17.974 -1.418 0.595 1.00 75.11 C ATOM 1106 CG LEU A 67 18.624 -0.770 1.838 1.00 61.33 C ATOM 1107 CD1 LEU A 67 18.770 -1.768 2.989 1.00 53.23 C ATOM 1108 CD2 LEU A 67 19.977 -0.156 1.482 1.00 21.22 C ATOM 0 H LEU A 67 16.171 0.153 1.709 1.00 31.22 H new ATOM 0 HA LEU A 67 16.120 -1.981 -0.339 1.00 44.01 H new ATOM 0 HB2 LEU A 67 18.458 -2.379 0.421 1.00 75.11 H new ATOM 0 HB3 LEU A 67 18.193 -0.790 -0.269 1.00 75.11 H new ATOM 0 HG LEU A 67 17.959 0.025 2.177 1.00 61.33 H new ATOM 0 HD11 LEU A 67 19.231 -1.273 3.844 1.00 53.23 H new ATOM 0 HD12 LEU A 67 17.786 -2.142 3.273 1.00 53.23 H new ATOM 0 HD13 LEU A 67 19.397 -2.601 2.671 1.00 53.23 H new ATOM 0 HD21 LEU A 67 20.417 0.295 2.371 1.00 21.22 H new ATOM 0 HD22 LEU A 67 20.641 -0.933 1.103 1.00 21.22 H new ATOM 0 HD23 LEU A 67 19.840 0.609 0.718 1.00 21.22 H new ATOM 1120 N LEU A 68 15.426 -2.386 2.739 1.00 2.13 N ATOM 1121 CA LEU A 68 14.988 -3.342 3.766 1.00 54.45 C ATOM 1122 C LEU A 68 13.619 -3.963 3.426 1.00 34.22 C ATOM 1123 O LEU A 68 13.524 -5.142 3.078 1.00 14.05 O ATOM 1124 CB LEU A 68 14.921 -2.637 5.130 1.00 43.45 C ATOM 1125 CG LEU A 68 14.297 -3.452 6.278 1.00 14.23 C ATOM 1126 CD1 LEU A 68 15.114 -4.711 6.560 1.00 3.20 C ATOM 1127 CD2 LEU A 68 14.163 -2.595 7.537 1.00 3.14 C ATOM 0 H LEU A 68 15.186 -1.416 2.945 1.00 2.13 H new ATOM 0 HA LEU A 68 15.716 -4.153 3.803 1.00 54.45 H new ATOM 0 HB2 LEU A 68 15.932 -2.352 5.420 1.00 43.45 H new ATOM 0 HB3 LEU A 68 14.351 -1.715 5.013 1.00 43.45 H new ATOM 0 HG LEU A 68 13.299 -3.763 5.970 1.00 14.23 H new ATOM 0 HD11 LEU A 68 14.653 -5.269 7.375 1.00 3.20 H new ATOM 0 HD12 LEU A 68 15.144 -5.333 5.665 1.00 3.20 H new ATOM 0 HD13 LEU A 68 16.129 -4.431 6.841 1.00 3.20 H new ATOM 0 HD21 LEU A 68 13.720 -3.189 8.336 1.00 3.14 H new ATOM 0 HD22 LEU A 68 15.148 -2.247 7.847 1.00 3.14 H new ATOM 0 HD23 LEU A 68 13.525 -1.737 7.327 1.00 3.14 H new ATOM 1139 N PHE A 69 12.563 -3.158 3.517 1.00 24.33 N ATOM 1140 CA PHE A 69 11.193 -3.643 3.310 1.00 4.04 C ATOM 1141 C PHE A 69 10.932 -4.089 1.863 1.00 21.23 C ATOM 1142 O PHE A 69 10.245 -5.084 1.634 1.00 74.44 O ATOM 1143 CB PHE A 69 10.182 -2.572 3.728 1.00 54.14 C ATOM 1144 CG PHE A 69 9.897 -2.567 5.209 1.00 22.14 C ATOM 1145 CD1 PHE A 69 10.653 -1.795 6.079 1.00 13.04 C ATOM 1146 CD2 PHE A 69 8.870 -3.343 5.729 1.00 40.34 C ATOM 1147 CE1 PHE A 69 10.391 -1.800 7.436 1.00 44.14 C ATOM 1148 CE2 PHE A 69 8.605 -3.350 7.084 1.00 11.14 C ATOM 1149 CZ PHE A 69 9.365 -2.577 7.939 1.00 1.21 C ATOM 0 H PHE A 69 12.626 -2.163 3.733 1.00 24.33 H new ATOM 0 HA PHE A 69 11.070 -4.525 3.939 1.00 4.04 H new ATOM 0 HB2 PHE A 69 10.559 -1.592 3.434 1.00 54.14 H new ATOM 0 HB3 PHE A 69 9.250 -2.731 3.186 1.00 54.14 H new ATOM 0 HD1 PHE A 69 11.455 -1.184 5.692 1.00 13.04 H new ATOM 0 HD2 PHE A 69 8.271 -3.949 5.065 1.00 40.34 H new ATOM 0 HE1 PHE A 69 10.988 -1.196 8.103 1.00 44.14 H new ATOM 0 HE2 PHE A 69 7.804 -3.960 7.475 1.00 11.14 H new ATOM 0 HZ PHE A 69 9.158 -2.580 8.999 1.00 1.21 H new ATOM 1159 N ARG A 70 11.479 -3.361 0.894 1.00 13.50 N ATOM 1160 CA ARG A 70 11.305 -3.708 -0.527 1.00 13.43 C ATOM 1161 C ARG A 70 11.803 -5.139 -0.818 1.00 44.25 C ATOM 1162 O ARG A 70 11.311 -5.807 -1.731 1.00 54.30 O ATOM 1163 CB ARG A 70 12.031 -2.671 -1.408 1.00 51.03 C ATOM 1164 CG ARG A 70 11.804 -2.823 -2.919 1.00 43.14 C ATOM 1165 CD ARG A 70 12.778 -3.807 -3.567 1.00 70.11 C ATOM 1166 NE ARG A 70 14.168 -3.398 -3.381 1.00 54.33 N ATOM 1167 CZ ARG A 70 15.196 -4.189 -3.522 1.00 72.45 C ATOM 1168 NH1 ARG A 70 15.040 -5.432 -3.853 1.00 10.15 N ATOM 1169 NH2 ARG A 70 16.389 -3.724 -3.333 1.00 51.54 N ATOM 0 H ARG A 70 12.046 -2.529 1.058 1.00 13.50 H new ATOM 0 HA ARG A 70 10.242 -3.685 -0.766 1.00 13.43 H new ATOM 0 HB2 ARG A 70 11.710 -1.674 -1.107 1.00 51.03 H new ATOM 0 HB3 ARG A 70 13.101 -2.735 -1.209 1.00 51.03 H new ATOM 0 HG2 ARG A 70 10.783 -3.159 -3.097 1.00 43.14 H new ATOM 0 HG3 ARG A 70 11.906 -1.849 -3.397 1.00 43.14 H new ATOM 0 HD2 ARG A 70 12.631 -4.799 -3.139 1.00 70.11 H new ATOM 0 HD3 ARG A 70 12.561 -3.884 -4.632 1.00 70.11 H new ATOM 0 HE ARG A 70 14.347 -2.428 -3.123 1.00 54.33 H new ATOM 0 HH11 ARG A 70 14.103 -5.805 -4.007 1.00 10.15 H new ATOM 0 HH12 ARG A 70 15.854 -6.037 -3.959 1.00 10.15 H new ATOM 0 HH21 ARG A 70 16.520 -2.746 -3.076 1.00 51.54 H new ATOM 0 HH22 ARG A 70 17.198 -4.336 -3.441 1.00 51.54 H new ATOM 1183 N ASP A 71 12.766 -5.608 -0.026 1.00 55.01 N ATOM 1184 CA ASP A 71 13.331 -6.950 -0.203 1.00 74.43 C ATOM 1185 C ASP A 71 12.359 -8.045 0.285 1.00 22.22 C ATOM 1186 O ASP A 71 12.273 -9.120 -0.308 1.00 24.11 O ATOM 1187 CB ASP A 71 14.666 -7.049 0.542 1.00 40.43 C ATOM 1188 CG ASP A 71 15.391 -8.360 0.280 1.00 72.04 C ATOM 1189 OD1 ASP A 71 15.156 -9.337 1.016 1.00 32.34 O ATOM 1190 OD2 ASP A 71 16.202 -8.421 -0.667 1.00 44.05 O ATOM 0 H ASP A 71 13.173 -5.080 0.746 1.00 55.01 H new ATOM 0 HA ASP A 71 13.497 -7.112 -1.268 1.00 74.43 H new ATOM 0 HB2 ASP A 71 15.306 -6.219 0.243 1.00 40.43 H new ATOM 0 HB3 ASP A 71 14.488 -6.945 1.612 1.00 40.43 H new ATOM 1195 N ARG A 72 11.634 -7.770 1.369 1.00 21.50 N ATOM 1196 CA ARG A 72 10.668 -8.739 1.913 1.00 51.02 C ATOM 1197 C ARG A 72 9.281 -8.601 1.256 1.00 51.32 C ATOM 1198 O ARG A 72 8.500 -9.552 1.229 1.00 64.11 O ATOM 1199 CB ARG A 72 10.554 -8.602 3.442 1.00 22.32 C ATOM 1200 CG ARG A 72 10.292 -7.182 3.931 1.00 61.32 C ATOM 1201 CD ARG A 72 9.933 -7.151 5.416 1.00 53.12 C ATOM 1202 NE ARG A 72 8.648 -7.801 5.674 1.00 31.50 N ATOM 1203 CZ ARG A 72 8.085 -7.890 6.848 1.00 32.24 C ATOM 1204 NH1 ARG A 72 8.674 -7.436 7.913 1.00 0.15 N ATOM 1205 NH2 ARG A 72 6.927 -8.451 6.954 1.00 45.54 N ATOM 0 H ARG A 72 11.692 -6.894 1.888 1.00 21.50 H new ATOM 0 HA ARG A 72 11.046 -9.734 1.678 1.00 51.02 H new ATOM 0 HB2 ARG A 72 9.749 -9.248 3.793 1.00 22.32 H new ATOM 0 HB3 ARG A 72 11.476 -8.965 3.897 1.00 22.32 H new ATOM 0 HG2 ARG A 72 11.176 -6.569 3.758 1.00 61.32 H new ATOM 0 HG3 ARG A 72 9.481 -6.742 3.351 1.00 61.32 H new ATOM 0 HD2 ARG A 72 10.715 -7.649 5.990 1.00 53.12 H new ATOM 0 HD3 ARG A 72 9.894 -6.117 5.760 1.00 53.12 H new ATOM 0 HE ARG A 72 8.158 -8.214 4.880 1.00 31.50 H new ATOM 0 HH11 ARG A 72 9.593 -7.000 7.841 1.00 0.15 H new ATOM 0 HH12 ARG A 72 8.217 -7.515 8.821 1.00 0.15 H new ATOM 0 HH21 ARG A 72 6.461 -8.819 6.125 1.00 45.54 H new ATOM 0 HH22 ARG A 72 6.478 -8.526 7.867 1.00 45.54 H new ATOM 1219 N PHE A 73 8.981 -7.419 0.724 1.00 0.44 N ATOM 1220 CA PHE A 73 7.691 -7.159 0.064 1.00 33.40 C ATOM 1221 C PHE A 73 7.816 -7.125 -1.467 1.00 20.31 C ATOM 1222 O PHE A 73 7.068 -6.434 -2.159 1.00 51.32 O ATOM 1223 CB PHE A 73 7.113 -5.840 0.565 1.00 21.35 C ATOM 1224 CG PHE A 73 6.471 -5.939 1.930 1.00 43.55 C ATOM 1225 CD1 PHE A 73 5.189 -6.449 2.065 1.00 32.21 C ATOM 1226 CD2 PHE A 73 7.144 -5.529 3.074 1.00 24.34 C ATOM 1227 CE1 PHE A 73 4.591 -6.552 3.306 1.00 51.22 C ATOM 1228 CE2 PHE A 73 6.549 -5.631 4.317 1.00 61.11 C ATOM 1229 CZ PHE A 73 5.272 -6.143 4.433 1.00 23.33 C ATOM 0 H PHE A 73 9.613 -6.618 0.734 1.00 0.44 H new ATOM 0 HA PHE A 73 7.022 -7.981 0.318 1.00 33.40 H new ATOM 0 HB2 PHE A 73 7.908 -5.095 0.600 1.00 21.35 H new ATOM 0 HB3 PHE A 73 6.372 -5.483 -0.150 1.00 21.35 H new ATOM 0 HD1 PHE A 73 4.650 -6.771 1.186 1.00 32.21 H new ATOM 0 HD2 PHE A 73 8.143 -5.126 2.991 1.00 24.34 H new ATOM 0 HE1 PHE A 73 3.592 -6.952 3.393 1.00 51.22 H new ATOM 0 HE2 PHE A 73 7.083 -5.310 5.199 1.00 61.11 H new ATOM 0 HZ PHE A 73 4.807 -6.223 5.405 1.00 23.33 H new ATOM 1239 N ASP A 74 8.735 -7.918 -1.978 1.00 70.32 N ATOM 1240 CA ASP A 74 9.013 -8.000 -3.421 1.00 34.22 C ATOM 1241 C ASP A 74 7.793 -8.493 -4.227 1.00 64.23 C ATOM 1242 O ASP A 74 7.720 -8.294 -5.441 1.00 11.41 O ATOM 1243 CB ASP A 74 10.208 -8.930 -3.662 1.00 74.33 C ATOM 1244 CG ASP A 74 9.932 -10.355 -3.208 1.00 15.32 C ATOM 1245 OD1 ASP A 74 10.004 -10.626 -1.990 1.00 11.22 O ATOM 1246 OD2 ASP A 74 9.636 -11.215 -4.064 1.00 45.23 O ATOM 0 H ASP A 74 9.320 -8.532 -1.412 1.00 70.32 H new ATOM 0 HA ASP A 74 9.245 -6.993 -3.769 1.00 34.22 H new ATOM 0 HB2 ASP A 74 10.456 -8.931 -4.723 1.00 74.33 H new ATOM 0 HB3 ASP A 74 11.078 -8.544 -3.131 1.00 74.33 H new ATOM 1251 N GLY A 75 6.849 -9.146 -3.552 1.00 32.22 N ATOM 1252 CA GLY A 75 5.660 -9.666 -4.225 1.00 54.44 C ATOM 1253 C GLY A 75 4.993 -10.807 -3.465 1.00 70.50 C ATOM 1254 O GLY A 75 5.209 -11.981 -3.775 1.00 3.42 O ATOM 0 H GLY A 75 6.883 -9.327 -2.549 1.00 32.22 H new ATOM 0 HA2 GLY A 75 4.942 -8.857 -4.357 1.00 54.44 H new ATOM 0 HA3 GLY A 75 5.936 -10.013 -5.221 1.00 54.44 H new ATOM 1258 N TYR A 76 4.174 -10.464 -2.474 1.00 14.32 N ATOM 1259 CA TYR A 76 3.521 -11.472 -1.626 1.00 1.11 C ATOM 1260 C TYR A 76 2.079 -11.763 -2.079 1.00 12.05 C ATOM 1261 O TYR A 76 1.430 -10.926 -2.708 1.00 52.34 O ATOM 1262 CB TYR A 76 3.524 -11.012 -0.160 1.00 41.22 C ATOM 1263 CG TYR A 76 2.682 -9.776 0.110 1.00 64.34 C ATOM 1264 CD1 TYR A 76 3.221 -8.502 -0.024 1.00 52.15 C ATOM 1265 CD2 TYR A 76 1.351 -9.886 0.501 1.00 32.13 C ATOM 1266 CE1 TYR A 76 2.462 -7.376 0.220 1.00 41.40 C ATOM 1267 CE2 TYR A 76 0.584 -8.762 0.746 1.00 34.15 C ATOM 1268 CZ TYR A 76 1.145 -7.510 0.604 1.00 35.23 C ATOM 1269 OH TYR A 76 0.385 -6.388 0.843 1.00 34.32 O ATOM 0 H TYR A 76 3.944 -9.500 -2.234 1.00 14.32 H new ATOM 0 HA TYR A 76 4.091 -12.396 -1.722 1.00 1.11 H new ATOM 0 HB2 TYR A 76 3.161 -11.828 0.465 1.00 41.22 H new ATOM 0 HB3 TYR A 76 4.551 -10.811 0.143 1.00 41.22 H new ATOM 0 HD1 TYR A 76 4.252 -8.391 -0.325 1.00 52.15 H new ATOM 0 HD2 TYR A 76 0.910 -10.865 0.615 1.00 32.13 H new ATOM 0 HE1 TYR A 76 2.898 -6.394 0.111 1.00 41.40 H new ATOM 0 HE2 TYR A 76 -0.448 -8.864 1.047 1.00 34.15 H new ATOM 0 HH TYR A 76 -0.460 -6.455 0.352 1.00 34.32 H new ATOM 1279 N ILE A 77 1.589 -12.958 -1.751 1.00 3.14 N ATOM 1280 CA ILE A 77 0.206 -13.348 -2.051 1.00 54.24 C ATOM 1281 C ILE A 77 -0.643 -13.390 -0.766 1.00 3.13 C ATOM 1282 O ILE A 77 -0.519 -14.314 0.041 1.00 40.31 O ATOM 1283 CB ILE A 77 0.148 -14.739 -2.744 1.00 41.41 C ATOM 1284 CG1 ILE A 77 0.912 -14.716 -4.078 1.00 33.21 C ATOM 1285 CG2 ILE A 77 -1.301 -15.182 -2.963 1.00 32.52 C ATOM 1286 CD1 ILE A 77 0.342 -13.750 -5.094 1.00 35.03 C ATOM 0 H ILE A 77 2.131 -13.679 -1.274 1.00 3.14 H new ATOM 0 HA ILE A 77 -0.199 -12.597 -2.729 1.00 54.24 H new ATOM 0 HB ILE A 77 0.629 -15.462 -2.085 1.00 41.41 H new ATOM 0 HG12 ILE A 77 1.952 -14.454 -3.885 1.00 33.21 H new ATOM 0 HG13 ILE A 77 0.910 -15.719 -4.504 1.00 33.21 H new ATOM 0 HG21 ILE A 77 -1.314 -16.158 -3.449 1.00 32.52 H new ATOM 0 HG22 ILE A 77 -1.810 -15.249 -2.002 1.00 32.52 H new ATOM 0 HG23 ILE A 77 -1.812 -14.455 -3.594 1.00 32.52 H new ATOM 0 HD11 ILE A 77 0.935 -13.791 -6.008 1.00 35.03 H new ATOM 0 HD12 ILE A 77 -0.689 -14.024 -5.318 1.00 35.03 H new ATOM 0 HD13 ILE A 77 0.369 -12.738 -4.689 1.00 35.03 H new ATOM 1298 N PHE A 78 -1.492 -12.382 -0.570 1.00 70.21 N ATOM 1299 CA PHE A 78 -2.362 -12.325 0.617 1.00 73.22 C ATOM 1300 C PHE A 78 -3.782 -12.816 0.290 1.00 53.35 C ATOM 1301 O PHE A 78 -4.325 -12.504 -0.767 1.00 50.22 O ATOM 1302 CB PHE A 78 -2.409 -10.891 1.168 1.00 42.24 C ATOM 1303 CG PHE A 78 -3.166 -10.757 2.471 1.00 20.53 C ATOM 1304 CD1 PHE A 78 -2.606 -11.202 3.662 1.00 31.34 C ATOM 1305 CD2 PHE A 78 -4.430 -10.181 2.506 1.00 41.42 C ATOM 1306 CE1 PHE A 78 -3.292 -11.077 4.856 1.00 52.25 C ATOM 1307 CE2 PHE A 78 -5.118 -10.056 3.697 1.00 35.44 C ATOM 1308 CZ PHE A 78 -4.548 -10.504 4.873 1.00 64.43 C ATOM 0 H PHE A 78 -1.600 -11.595 -1.210 1.00 70.21 H new ATOM 0 HA PHE A 78 -1.944 -12.986 1.376 1.00 73.22 H new ATOM 0 HB2 PHE A 78 -1.389 -10.535 1.314 1.00 42.24 H new ATOM 0 HB3 PHE A 78 -2.870 -10.242 0.424 1.00 42.24 H new ATOM 0 HD1 PHE A 78 -1.624 -11.651 3.655 1.00 31.34 H new ATOM 0 HD2 PHE A 78 -4.880 -9.827 1.590 1.00 41.42 H new ATOM 0 HE1 PHE A 78 -2.846 -11.427 5.775 1.00 52.25 H new ATOM 0 HE2 PHE A 78 -6.101 -9.608 3.709 1.00 35.44 H new ATOM 0 HZ PHE A 78 -5.085 -10.406 5.805 1.00 64.43 H new ATOM 1318 N LEU A 79 -4.371 -13.593 1.195 1.00 32.41 N ATOM 1319 CA LEU A 79 -5.738 -14.101 1.014 1.00 1.41 C ATOM 1320 C LEU A 79 -6.710 -13.526 2.055 1.00 12.20 C ATOM 1321 O LEU A 79 -6.324 -13.210 3.183 1.00 61.15 O ATOM 1322 CB LEU A 79 -5.739 -15.634 1.103 1.00 33.33 C ATOM 1323 CG LEU A 79 -4.941 -16.360 0.010 1.00 22.42 C ATOM 1324 CD1 LEU A 79 -4.895 -17.861 0.284 1.00 63.32 C ATOM 1325 CD2 LEU A 79 -5.537 -16.080 -1.365 1.00 34.12 C ATOM 0 H LEU A 79 -3.926 -13.888 2.064 1.00 32.41 H new ATOM 0 HA LEU A 79 -6.078 -13.782 0.029 1.00 1.41 H new ATOM 0 HB2 LEU A 79 -5.339 -15.924 2.074 1.00 33.33 H new ATOM 0 HB3 LEU A 79 -6.771 -15.982 1.067 1.00 33.33 H new ATOM 0 HG LEU A 79 -3.919 -15.981 0.022 1.00 22.42 H new ATOM 0 HD11 LEU A 79 -4.325 -18.357 -0.502 1.00 63.32 H new ATOM 0 HD12 LEU A 79 -4.417 -18.041 1.247 1.00 63.32 H new ATOM 0 HD13 LEU A 79 -5.910 -18.259 0.302 1.00 63.32 H new ATOM 0 HD21 LEU A 79 -4.958 -16.603 -2.126 1.00 34.12 H new ATOM 0 HD22 LEU A 79 -6.570 -16.428 -1.392 1.00 34.12 H new ATOM 0 HD23 LEU A 79 -5.510 -15.008 -1.562 1.00 34.12 H new ATOM 1337 N ASP A 80 -7.974 -13.391 1.663 1.00 41.22 N ATOM 1338 CA ASP A 80 -9.038 -12.972 2.581 1.00 24.33 C ATOM 1339 C ASP A 80 -9.961 -14.167 2.908 1.00 72.22 C ATOM 1340 O ASP A 80 -9.532 -15.320 2.855 1.00 63.31 O ATOM 1341 CB ASP A 80 -9.837 -11.829 1.948 1.00 24.10 C ATOM 1342 CG ASP A 80 -10.701 -12.314 0.801 1.00 64.13 C ATOM 1343 OD1 ASP A 80 -10.148 -12.846 -0.180 1.00 30.35 O ATOM 1344 OD2 ASP A 80 -11.938 -12.217 0.909 1.00 34.15 O ATOM 0 H ASP A 80 -8.291 -13.566 0.710 1.00 41.22 H new ATOM 0 HA ASP A 80 -8.595 -12.620 3.513 1.00 24.33 H new ATOM 0 HB2 ASP A 80 -10.467 -11.363 2.706 1.00 24.10 H new ATOM 0 HB3 ASP A 80 -9.151 -11.062 1.588 1.00 24.10 H new ATOM 1349 N SER A 81 -11.219 -13.896 3.257 1.00 0.24 N ATOM 1350 CA SER A 81 -12.194 -14.963 3.527 1.00 11.40 C ATOM 1351 C SER A 81 -12.673 -15.631 2.227 1.00 34.44 C ATOM 1352 O SER A 81 -12.788 -16.856 2.155 1.00 70.02 O ATOM 1353 CB SER A 81 -13.391 -14.405 4.307 1.00 71.22 C ATOM 1354 OG SER A 81 -12.982 -13.864 5.555 1.00 33.45 O ATOM 0 H SER A 81 -11.590 -12.951 3.360 1.00 0.24 H new ATOM 0 HA SER A 81 -11.697 -15.723 4.130 1.00 11.40 H new ATOM 0 HB2 SER A 81 -13.885 -13.633 3.717 1.00 71.22 H new ATOM 0 HB3 SER A 81 -14.122 -15.197 4.472 1.00 71.22 H new ATOM 0 HG SER A 81 -13.763 -13.514 6.031 1.00 33.45 H new ATOM 1360 N LYS A 82 -12.946 -14.824 1.202 1.00 74.41 N ATOM 1361 CA LYS A 82 -13.369 -15.345 -0.107 1.00 72.34 C ATOM 1362 C LYS A 82 -12.244 -16.140 -0.793 1.00 52.42 C ATOM 1363 O LYS A 82 -12.503 -17.118 -1.502 1.00 63.24 O ATOM 1364 CB LYS A 82 -13.829 -14.199 -1.024 1.00 42.03 C ATOM 1365 CG LYS A 82 -15.121 -13.515 -0.576 1.00 64.54 C ATOM 1366 CD LYS A 82 -16.293 -14.490 -0.527 1.00 24.32 C ATOM 1367 CE LYS A 82 -17.611 -13.782 -0.242 1.00 1.24 C ATOM 1368 NZ LYS A 82 -17.606 -13.087 1.073 1.00 4.40 N ATOM 0 H LYS A 82 -12.883 -13.807 1.248 1.00 74.41 H new ATOM 0 HA LYS A 82 -14.205 -16.022 0.070 1.00 72.34 H new ATOM 0 HB2 LYS A 82 -13.037 -13.453 -1.079 1.00 42.03 H new ATOM 0 HB3 LYS A 82 -13.969 -14.590 -2.032 1.00 42.03 H new ATOM 0 HG2 LYS A 82 -14.975 -13.073 0.410 1.00 64.54 H new ATOM 0 HG3 LYS A 82 -15.356 -12.699 -1.260 1.00 64.54 H new ATOM 0 HD2 LYS A 82 -16.364 -15.020 -1.477 1.00 24.32 H new ATOM 0 HD3 LYS A 82 -16.110 -15.239 0.243 1.00 24.32 H new ATOM 0 HE2 LYS A 82 -17.810 -13.058 -1.032 1.00 1.24 H new ATOM 0 HE3 LYS A 82 -18.423 -14.509 -0.263 1.00 1.24 H new ATOM 0 HZ1 LYS A 82 -18.550 -12.692 1.261 1.00 4.40 H new ATOM 0 HZ2 LYS A 82 -17.359 -13.764 1.823 1.00 4.40 H new ATOM 0 HZ3 LYS A 82 -16.906 -12.318 1.057 1.00 4.40 H new ATOM 1382 N GLY A 83 -11.000 -15.714 -0.585 1.00 63.53 N ATOM 1383 CA GLY A 83 -9.848 -16.413 -1.160 1.00 3.32 C ATOM 1384 C GLY A 83 -9.292 -15.726 -2.401 1.00 54.31 C ATOM 1385 O GLY A 83 -8.793 -16.382 -3.319 1.00 62.11 O ATOM 0 H GLY A 83 -10.762 -14.894 -0.027 1.00 63.53 H new ATOM 0 HA2 GLY A 83 -9.062 -16.485 -0.409 1.00 3.32 H new ATOM 0 HA3 GLY A 83 -10.139 -17.432 -1.415 1.00 3.32 H new ATOM 1389 N LEU A 84 -9.378 -14.404 -2.429 1.00 41.13 N ATOM 1390 CA LEU A 84 -8.868 -13.606 -3.546 1.00 73.41 C ATOM 1391 C LEU A 84 -7.374 -13.301 -3.362 1.00 53.21 C ATOM 1392 O LEU A 84 -6.995 -12.525 -2.486 1.00 21.12 O ATOM 1393 CB LEU A 84 -9.656 -12.292 -3.655 1.00 55.31 C ATOM 1394 CG LEU A 84 -11.184 -12.446 -3.779 1.00 71.23 C ATOM 1395 CD1 LEU A 84 -11.862 -11.078 -3.839 1.00 63.42 C ATOM 1396 CD2 LEU A 84 -11.544 -13.289 -5.003 1.00 43.25 C ATOM 0 H LEU A 84 -9.801 -13.851 -1.683 1.00 41.13 H new ATOM 0 HA LEU A 84 -8.994 -14.181 -4.463 1.00 73.41 H new ATOM 0 HB2 LEU A 84 -9.439 -11.684 -2.777 1.00 55.31 H new ATOM 0 HB3 LEU A 84 -9.292 -11.741 -4.522 1.00 55.31 H new ATOM 0 HG LEU A 84 -11.549 -12.964 -2.892 1.00 71.23 H new ATOM 0 HD11 LEU A 84 -12.940 -11.210 -3.926 1.00 63.42 H new ATOM 0 HD12 LEU A 84 -11.637 -10.520 -2.930 1.00 63.42 H new ATOM 0 HD13 LEU A 84 -11.493 -10.526 -4.704 1.00 63.42 H new ATOM 0 HD21 LEU A 84 -12.627 -13.386 -5.072 1.00 43.25 H new ATOM 0 HD22 LEU A 84 -11.165 -12.805 -5.903 1.00 43.25 H new ATOM 0 HD23 LEU A 84 -11.097 -14.278 -4.908 1.00 43.25 H new ATOM 1408 N GLU A 85 -6.529 -13.922 -4.181 1.00 13.42 N ATOM 1409 CA GLU A 85 -5.082 -13.697 -4.109 1.00 61.24 C ATOM 1410 C GLU A 85 -4.722 -12.234 -4.411 1.00 42.03 C ATOM 1411 O GLU A 85 -4.872 -11.769 -5.546 1.00 51.32 O ATOM 1412 CB GLU A 85 -4.348 -14.616 -5.090 1.00 53.33 C ATOM 1413 CG GLU A 85 -4.555 -16.103 -4.828 1.00 5.25 C ATOM 1414 CD GLU A 85 -3.882 -16.971 -5.876 1.00 63.43 C ATOM 1415 OE1 GLU A 85 -4.408 -17.052 -7.008 1.00 11.15 O ATOM 1416 OE2 GLU A 85 -2.823 -17.565 -5.584 1.00 74.13 O ATOM 0 H GLU A 85 -6.817 -14.584 -4.902 1.00 13.42 H new ATOM 0 HA GLU A 85 -4.768 -13.925 -3.091 1.00 61.24 H new ATOM 0 HB2 GLU A 85 -4.680 -14.387 -6.103 1.00 53.33 H new ATOM 0 HB3 GLU A 85 -3.281 -14.396 -5.047 1.00 53.33 H new ATOM 0 HG2 GLU A 85 -4.161 -16.355 -3.843 1.00 5.25 H new ATOM 0 HG3 GLU A 85 -5.623 -16.321 -4.809 1.00 5.25 H new ATOM 1423 N TYR A 86 -4.262 -11.519 -3.388 1.00 45.32 N ATOM 1424 CA TYR A 86 -3.794 -10.139 -3.542 1.00 4.20 C ATOM 1425 C TYR A 86 -2.261 -10.105 -3.707 1.00 70.41 C ATOM 1426 O TYR A 86 -1.527 -10.210 -2.720 1.00 74.12 O ATOM 1427 CB TYR A 86 -4.186 -9.289 -2.321 1.00 72.04 C ATOM 1428 CG TYR A 86 -5.645 -9.399 -1.901 1.00 32.32 C ATOM 1429 CD1 TYR A 86 -6.676 -9.020 -2.754 1.00 3.42 C ATOM 1430 CD2 TYR A 86 -5.986 -9.865 -0.634 1.00 54.11 C ATOM 1431 CE1 TYR A 86 -8.000 -9.103 -2.356 1.00 44.11 C ATOM 1432 CE2 TYR A 86 -7.304 -9.952 -0.232 1.00 74.01 C ATOM 1433 CZ TYR A 86 -8.307 -9.571 -1.094 1.00 62.44 C ATOM 1434 OH TYR A 86 -9.620 -9.641 -0.686 1.00 74.34 O ATOM 0 H TYR A 86 -4.202 -11.874 -2.434 1.00 45.32 H new ATOM 0 HA TYR A 86 -4.267 -9.726 -4.433 1.00 4.20 H new ATOM 0 HB2 TYR A 86 -3.558 -9.580 -1.479 1.00 72.04 H new ATOM 0 HB3 TYR A 86 -3.964 -8.244 -2.538 1.00 72.04 H new ATOM 0 HD1 TYR A 86 -6.440 -8.655 -3.743 1.00 3.42 H new ATOM 0 HD2 TYR A 86 -5.204 -10.164 0.048 1.00 54.11 H new ATOM 0 HE1 TYR A 86 -8.789 -8.803 -3.030 1.00 44.11 H new ATOM 0 HE2 TYR A 86 -7.547 -10.318 0.755 1.00 74.01 H new ATOM 0 HH TYR A 86 -10.196 -9.797 -1.463 1.00 74.34 H new ATOM 1444 N PRO A 87 -1.750 -9.983 -4.947 1.00 1.22 N ATOM 1445 CA PRO A 87 -0.315 -9.930 -5.220 1.00 25.41 C ATOM 1446 C PRO A 87 0.225 -8.490 -5.228 1.00 13.43 C ATOM 1447 O PRO A 87 0.022 -7.747 -6.185 1.00 15.14 O ATOM 1448 CB PRO A 87 -0.205 -10.573 -6.617 1.00 51.11 C ATOM 1449 CG PRO A 87 -1.609 -10.635 -7.166 1.00 74.32 C ATOM 1450 CD PRO A 87 -2.505 -9.902 -6.197 1.00 22.31 C ATOM 0 HA PRO A 87 0.274 -10.439 -4.457 1.00 25.41 H new ATOM 0 HB2 PRO A 87 0.441 -9.983 -7.267 1.00 51.11 H new ATOM 0 HB3 PRO A 87 0.232 -11.570 -6.553 1.00 51.11 H new ATOM 0 HG2 PRO A 87 -1.656 -10.177 -8.154 1.00 74.32 H new ATOM 0 HG3 PRO A 87 -1.932 -11.670 -7.279 1.00 74.32 H new ATOM 0 HD2 PRO A 87 -2.675 -8.870 -6.503 1.00 22.31 H new ATOM 0 HD3 PRO A 87 -3.484 -10.374 -6.112 1.00 22.31 H new ATOM 1458 N ALA A 88 0.904 -8.099 -4.154 1.00 45.33 N ATOM 1459 CA ALA A 88 1.412 -6.730 -4.019 1.00 4.15 C ATOM 1460 C ALA A 88 2.933 -6.658 -4.235 1.00 64.44 C ATOM 1461 O ALA A 88 3.702 -7.302 -3.518 1.00 10.53 O ATOM 1462 CB ALA A 88 1.043 -6.176 -2.651 1.00 65.41 C ATOM 0 H ALA A 88 1.117 -8.707 -3.363 1.00 45.33 H new ATOM 0 HA ALA A 88 0.947 -6.122 -4.795 1.00 4.15 H new ATOM 0 HB1 ALA A 88 1.423 -5.159 -2.556 1.00 65.41 H new ATOM 0 HB2 ALA A 88 -0.041 -6.170 -2.541 1.00 65.41 H new ATOM 0 HB3 ALA A 88 1.483 -6.802 -1.874 1.00 65.41 H new ATOM 1468 N VAL A 89 3.354 -5.866 -5.223 1.00 43.11 N ATOM 1469 CA VAL A 89 4.779 -5.680 -5.533 1.00 64.42 C ATOM 1470 C VAL A 89 5.203 -4.208 -5.350 1.00 4.32 C ATOM 1471 O VAL A 89 4.566 -3.295 -5.877 1.00 42.10 O ATOM 1472 CB VAL A 89 5.103 -6.146 -6.979 1.00 64.52 C ATOM 1473 CG1 VAL A 89 4.264 -5.394 -8.005 1.00 15.44 C ATOM 1474 CG2 VAL A 89 6.596 -5.999 -7.278 1.00 14.40 C ATOM 0 H VAL A 89 2.725 -5.338 -5.828 1.00 43.11 H new ATOM 0 HA VAL A 89 5.345 -6.294 -4.833 1.00 64.42 H new ATOM 0 HB VAL A 89 4.845 -7.203 -7.053 1.00 64.52 H new ATOM 0 HG11 VAL A 89 4.515 -5.743 -9.007 1.00 15.44 H new ATOM 0 HG12 VAL A 89 3.206 -5.574 -7.812 1.00 15.44 H new ATOM 0 HG13 VAL A 89 4.470 -4.326 -7.931 1.00 15.44 H new ATOM 0 HG21 VAL A 89 6.798 -6.332 -8.296 1.00 14.40 H new ATOM 0 HG22 VAL A 89 6.887 -4.954 -7.173 1.00 14.40 H new ATOM 0 HG23 VAL A 89 7.169 -6.607 -6.578 1.00 14.40 H new ATOM 1484 N VAL A 90 6.275 -3.980 -4.592 1.00 44.24 N ATOM 1485 CA VAL A 90 6.720 -2.614 -4.264 1.00 61.12 C ATOM 1486 C VAL A 90 7.961 -2.182 -5.078 1.00 33.43 C ATOM 1487 O VAL A 90 8.940 -2.921 -5.188 1.00 44.25 O ATOM 1488 CB VAL A 90 7.013 -2.490 -2.745 1.00 0.35 C ATOM 1489 CG1 VAL A 90 8.077 -3.492 -2.307 1.00 11.14 C ATOM 1490 CG2 VAL A 90 7.418 -1.061 -2.375 1.00 14.13 C ATOM 0 H VAL A 90 6.854 -4.718 -4.191 1.00 44.24 H new ATOM 0 HA VAL A 90 5.905 -1.943 -4.535 1.00 61.12 H new ATOM 0 HB VAL A 90 6.093 -2.724 -2.210 1.00 0.35 H new ATOM 0 HG11 VAL A 90 8.262 -3.382 -1.238 1.00 11.14 H new ATOM 0 HG12 VAL A 90 7.730 -4.505 -2.513 1.00 11.14 H new ATOM 0 HG13 VAL A 90 9.000 -3.306 -2.856 1.00 11.14 H new ATOM 0 HG21 VAL A 90 7.617 -1.005 -1.305 1.00 14.13 H new ATOM 0 HG22 VAL A 90 8.316 -0.783 -2.926 1.00 14.13 H new ATOM 0 HG23 VAL A 90 6.609 -0.376 -2.630 1.00 14.13 H new ATOM 1500 N GLU A 91 7.908 -0.968 -5.641 1.00 33.22 N ATOM 1501 CA GLU A 91 9.018 -0.421 -6.442 1.00 63.44 C ATOM 1502 C GLU A 91 9.014 1.118 -6.448 1.00 20.12 C ATOM 1503 O GLU A 91 8.032 1.752 -6.060 1.00 13.32 O ATOM 1504 CB GLU A 91 8.946 -0.932 -7.886 1.00 14.04 C ATOM 1505 CG GLU A 91 7.672 -0.531 -8.625 1.00 64.22 C ATOM 1506 CD GLU A 91 7.735 -0.849 -10.109 1.00 33.31 C ATOM 1507 OE1 GLU A 91 7.841 -2.042 -10.461 1.00 20.33 O ATOM 1508 OE2 GLU A 91 7.697 0.094 -10.930 1.00 21.12 O ATOM 0 H GLU A 91 7.107 -0.342 -5.558 1.00 33.22 H new ATOM 0 HA GLU A 91 9.944 -0.762 -5.978 1.00 63.44 H new ATOM 0 HB2 GLU A 91 9.807 -0.555 -8.437 1.00 14.04 H new ATOM 0 HB3 GLU A 91 9.023 -2.019 -7.880 1.00 14.04 H new ATOM 0 HG2 GLU A 91 6.821 -1.048 -8.182 1.00 64.22 H new ATOM 0 HG3 GLU A 91 7.500 0.537 -8.493 1.00 64.22 H new ATOM 1515 N PHE A 92 10.120 1.717 -6.898 1.00 23.45 N ATOM 1516 CA PHE A 92 10.249 3.182 -6.933 1.00 2.25 C ATOM 1517 C PHE A 92 9.454 3.801 -8.098 1.00 24.11 C ATOM 1518 O PHE A 92 9.253 3.169 -9.138 1.00 14.31 O ATOM 1519 CB PHE A 92 11.728 3.601 -7.013 1.00 43.35 C ATOM 1520 CG PHE A 92 12.429 3.170 -8.279 1.00 51.51 C ATOM 1521 CD1 PHE A 92 12.886 1.868 -8.429 1.00 65.12 C ATOM 1522 CD2 PHE A 92 12.633 4.070 -9.317 1.00 43.33 C ATOM 1523 CE1 PHE A 92 13.530 1.475 -9.586 1.00 42.25 C ATOM 1524 CE2 PHE A 92 13.276 3.680 -10.475 1.00 2.14 C ATOM 1525 CZ PHE A 92 13.725 2.381 -10.609 1.00 32.21 C ATOM 0 H PHE A 92 10.938 1.215 -7.243 1.00 23.45 H new ATOM 0 HA PHE A 92 9.826 3.563 -6.004 1.00 2.25 H new ATOM 0 HB2 PHE A 92 11.791 4.686 -6.928 1.00 43.35 H new ATOM 0 HB3 PHE A 92 12.259 3.183 -6.158 1.00 43.35 H new ATOM 0 HD1 PHE A 92 12.736 1.154 -7.632 1.00 65.12 H new ATOM 0 HD2 PHE A 92 12.284 5.087 -9.217 1.00 43.33 H new ATOM 0 HE1 PHE A 92 13.881 0.459 -9.690 1.00 42.25 H new ATOM 0 HE2 PHE A 92 13.428 4.390 -11.275 1.00 2.14 H new ATOM 0 HZ PHE A 92 14.229 2.074 -11.514 1.00 32.21 H new ATOM 1535 N ALA A 93 9.027 5.051 -7.920 1.00 1.14 N ATOM 1536 CA ALA A 93 8.191 5.750 -8.910 1.00 72.12 C ATOM 1537 C ALA A 93 8.925 6.950 -9.546 1.00 62.53 C ATOM 1538 O ALA A 93 9.817 7.540 -8.929 1.00 54.11 O ATOM 1539 CB ALA A 93 6.896 6.216 -8.247 1.00 21.04 C ATOM 0 H ALA A 93 9.246 5.608 -7.094 1.00 1.14 H new ATOM 0 HA ALA A 93 7.965 5.048 -9.713 1.00 72.12 H new ATOM 0 HB1 ALA A 93 6.278 6.733 -8.980 1.00 21.04 H new ATOM 0 HB2 ALA A 93 6.354 5.353 -7.860 1.00 21.04 H new ATOM 0 HB3 ALA A 93 7.131 6.895 -7.427 1.00 21.04 H new