USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 847 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 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.915 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-1.9!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 29:sc= 0.778 USER MOD Single : A 42 MET CE :methyl -168:sc= -0.0704 (180deg=-0.31) USER MOD Single : A 43 GLN : amide:sc= -0.528 K(o=-0.53,f=-3.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.072 X(o=-0.072,f=0) USER MOD Single : A 62 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.4!) USER MOD Single : A 68 SER OG : rot -126:sc= -5.85! USER MOD Single : A 69 TYR OH : rot 134:sc= -2.4! USER MOD Single : A 79 ASN : amide:sc= -13.5! C(o=-14!,f=-13!) USER MOD Single : A 86 THR OG1 : rot -131:sc= -2.73! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -70:sc= -1.86 USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 0.025 (180deg=0.0226) USER MOD Single : A 95 THR OG1 : rot 63:sc= 0.621 USER MOD Single : A 97 TYR OH : rot 150:sc= 0.853 USER MOD Single : A 98 SER OG : rot 180:sc= -0.532 USER MOD Single : A 99 ASN : amide:sc= -0.0559 X(o=-0.056,f=-0.48) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.114) USER MOD Single : A 110 SER OG : rot -8:sc= -2.68! USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 3.576 14.343 5.684 1.00 0.00 N ATOM 109 CA ARG A 8 3.598 13.351 4.578 1.00 0.00 C ATOM 110 C ARG A 8 3.264 11.957 5.104 1.00 0.00 C ATOM 111 O ARG A 8 4.019 11.372 5.854 1.00 0.00 O ATOM 112 CB ARG A 8 5.030 13.366 4.037 1.00 0.00 C ATOM 113 CG ARG A 8 5.578 14.795 3.993 1.00 0.00 C ATOM 114 CD ARG A 8 7.099 14.733 3.864 1.00 0.00 C ATOM 115 NE ARG A 8 7.583 14.459 5.246 1.00 0.00 N ATOM 116 CZ ARG A 8 8.048 13.278 5.557 1.00 0.00 C ATOM 117 NH1 ARG A 8 8.824 12.639 4.725 1.00 0.00 N ATOM 118 NH2 ARG A 8 7.738 12.736 6.705 1.00 0.00 N ATOM 0 HA ARG A 8 2.865 13.597 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.668 12.746 4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.051 12.933 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.149 15.338 3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.297 15.335 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.406 13.948 3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.503 15.670 3.481 1.00 0.00 H new ATOM 0 HE ARG A 8 7.551 15.195 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.069 13.061 3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.186 11.717 4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.133 13.235 7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.101 11.814 6.948 1.00 0.00 H new ATOM 132 N LEU A 9 2.159 11.404 4.689 1.00 0.00 N ATOM 133 CA LEU A 9 1.814 10.034 5.135 1.00 0.00 C ATOM 134 C LEU A 9 2.694 9.072 4.350 1.00 0.00 C ATOM 135 O LEU A 9 3.364 9.473 3.419 1.00 0.00 O ATOM 136 CB LEU A 9 0.335 9.843 4.797 1.00 0.00 C ATOM 137 CG LEU A 9 -0.522 10.421 5.925 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.328 9.591 7.197 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.094 11.863 6.195 1.00 0.00 C ATOM 0 H LEU A 9 1.484 11.843 4.062 1.00 0.00 H new ATOM 0 HA LEU A 9 1.974 9.862 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.099 10.338 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.115 8.784 4.664 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.571 10.395 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.940 10.005 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.627 8.560 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.721 9.616 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.702 12.279 6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.956 11.882 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.230 12.458 5.292 1.00 0.00 H new ATOM 151 N ARG A 10 2.740 7.826 4.698 1.00 0.00 N ATOM 152 CA ARG A 10 3.631 6.922 3.926 1.00 0.00 C ATOM 153 C ARG A 10 2.943 5.587 3.647 1.00 0.00 C ATOM 154 O ARG A 10 2.274 5.025 4.491 1.00 0.00 O ATOM 155 CB ARG A 10 4.853 6.714 4.822 1.00 0.00 C ATOM 156 CG ARG A 10 5.862 7.845 4.592 1.00 0.00 C ATOM 157 CD ARG A 10 5.629 8.968 5.609 1.00 0.00 C ATOM 158 NE ARG A 10 5.579 8.297 6.940 1.00 0.00 N ATOM 159 CZ ARG A 10 6.665 7.802 7.468 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.501 8.583 8.099 1.00 0.00 N ATOM 161 NH2 ARG A 10 6.908 6.523 7.378 1.00 0.00 N ATOM 0 H ARG A 10 2.216 7.398 5.462 1.00 0.00 H new ATOM 0 HA ARG A 10 3.895 7.344 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.549 6.692 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.316 5.751 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.878 7.462 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.761 8.234 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.432 9.705 5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.700 9.498 5.402 1.00 0.00 H new ATOM 0 HE ARG A 10 4.693 8.225 7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.305 9.581 8.179 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.349 8.195 8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.250 5.912 6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.756 6.135 7.790 1.00 0.00 H new ATOM 175 N VAL A 11 3.113 5.069 2.469 1.00 0.00 N ATOM 176 CA VAL A 11 2.479 3.767 2.136 1.00 0.00 C ATOM 177 C VAL A 11 3.542 2.772 1.671 1.00 0.00 C ATOM 178 O VAL A 11 4.096 2.897 0.597 1.00 0.00 O ATOM 179 CB VAL A 11 1.494 4.075 1.004 1.00 0.00 C ATOM 180 CG1 VAL A 11 0.217 4.684 1.587 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.126 5.065 0.022 1.00 0.00 C ATOM 0 H VAL A 11 3.664 5.490 1.720 1.00 0.00 H new ATOM 0 HA VAL A 11 1.977 3.320 2.994 1.00 0.00 H new ATOM 0 HB VAL A 11 1.252 3.151 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.483 4.903 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.239 3.978 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.462 5.606 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.421 5.281 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.374 5.989 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.034 4.632 -0.398 1.00 0.00 H new ATOM 191 N LEU A 12 3.827 1.778 2.468 1.00 0.00 N ATOM 192 CA LEU A 12 4.842 0.766 2.060 1.00 0.00 C ATOM 193 C LEU A 12 4.239 -0.114 0.973 1.00 0.00 C ATOM 194 O LEU A 12 3.658 -1.143 1.253 1.00 0.00 O ATOM 195 CB LEU A 12 5.115 -0.063 3.318 1.00 0.00 C ATOM 196 CG LEU A 12 6.101 0.675 4.220 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.394 0.950 3.448 1.00 0.00 C ATOM 198 CD2 LEU A 12 5.476 1.996 4.671 1.00 0.00 C ATOM 0 H LEU A 12 3.402 1.623 3.382 1.00 0.00 H new ATOM 0 HA LEU A 12 5.757 1.214 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.183 -0.245 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.519 -1.037 3.042 1.00 0.00 H new ATOM 0 HG LEU A 12 6.330 0.064 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.098 1.477 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.834 0.006 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.173 1.563 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.175 2.528 5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.250 2.608 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.557 1.795 5.221 1.00 0.00 H new ATOM 210 N VAL A 13 4.326 0.287 -0.261 1.00 0.00 N ATOM 211 CA VAL A 13 3.701 -0.538 -1.318 1.00 0.00 C ATOM 212 C VAL A 13 4.713 -1.378 -2.080 1.00 0.00 C ATOM 213 O VAL A 13 5.801 -0.952 -2.405 1.00 0.00 O ATOM 214 CB VAL A 13 3.001 0.453 -2.246 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.044 -0.305 -3.163 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.208 1.465 -1.414 1.00 0.00 C ATOM 0 H VAL A 13 4.795 1.136 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 13 3.007 -1.258 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 13 3.746 0.979 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.542 0.399 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.604 -1.027 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.301 -0.828 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.709 2.171 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.462 0.940 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.887 2.005 -0.754 1.00 0.00 H new ATOM 226 N VAL A 14 4.325 -2.582 -2.368 1.00 0.00 N ATOM 227 CA VAL A 14 5.194 -3.511 -3.117 1.00 0.00 C ATOM 228 C VAL A 14 4.296 -4.556 -3.786 1.00 0.00 C ATOM 229 O VAL A 14 3.247 -4.899 -3.269 1.00 0.00 O ATOM 230 CB VAL A 14 6.102 -4.129 -2.052 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.943 -3.032 -1.401 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.254 -4.812 -0.981 1.00 0.00 C ATOM 0 H VAL A 14 3.418 -2.968 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 14 5.789 -3.043 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 14 6.754 -4.865 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.590 -3.472 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.554 -2.543 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.286 -2.297 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.906 -5.250 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.598 -4.078 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.652 -5.596 -1.439 1.00 0.00 H new ATOM 242 N GLU A 15 4.650 -5.046 -4.942 1.00 0.00 N ATOM 243 CA GLU A 15 3.734 -6.030 -5.593 1.00 0.00 C ATOM 244 C GLU A 15 4.297 -6.564 -6.922 1.00 0.00 C ATOM 245 O GLU A 15 4.334 -7.758 -7.141 1.00 0.00 O ATOM 246 CB GLU A 15 2.443 -5.215 -5.796 1.00 0.00 C ATOM 247 CG GLU A 15 1.782 -5.528 -7.143 1.00 0.00 C ATOM 248 CD GLU A 15 0.626 -4.552 -7.371 1.00 0.00 C ATOM 249 OE1 GLU A 15 -0.225 -4.460 -6.501 1.00 0.00 O ATOM 250 OE2 GLU A 15 0.613 -3.911 -8.409 1.00 0.00 O ATOM 0 H GLU A 15 5.504 -4.819 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 15 3.583 -6.929 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.744 -5.433 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.672 -4.151 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.511 -5.442 -7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.415 -6.554 -7.153 1.00 0.00 H new ATOM 257 N ASP A 16 4.714 -5.711 -7.818 1.00 0.00 N ATOM 258 CA ASP A 16 5.239 -6.221 -9.115 1.00 0.00 C ATOM 259 C ASP A 16 6.612 -5.618 -9.443 1.00 0.00 C ATOM 260 O ASP A 16 7.610 -5.992 -8.859 1.00 0.00 O ATOM 261 CB ASP A 16 4.193 -5.830 -10.167 1.00 0.00 C ATOM 262 CG ASP A 16 3.622 -4.445 -9.851 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.303 -3.685 -9.184 1.00 0.00 O ATOM 264 OD2 ASP A 16 2.511 -4.173 -10.277 1.00 0.00 O ATOM 0 H ASP A 16 4.714 -4.697 -7.710 1.00 0.00 H new ATOM 0 HA ASP A 16 5.391 -7.300 -9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.646 -5.828 -11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.391 -6.567 -10.185 1.00 0.00 H new ATOM 269 N GLU A 17 6.686 -4.711 -10.384 1.00 0.00 N ATOM 270 CA GLU A 17 8.014 -4.131 -10.742 1.00 0.00 C ATOM 271 C GLU A 17 7.932 -2.605 -10.909 1.00 0.00 C ATOM 272 O GLU A 17 7.961 -1.869 -9.942 1.00 0.00 O ATOM 273 CB GLU A 17 8.381 -4.810 -12.064 1.00 0.00 C ATOM 274 CG GLU A 17 9.759 -4.331 -12.526 1.00 0.00 C ATOM 275 CD GLU A 17 10.488 -5.479 -13.229 1.00 0.00 C ATOM 276 OE1 GLU A 17 9.813 -6.347 -13.760 1.00 0.00 O ATOM 277 OE2 GLU A 17 11.708 -5.471 -13.224 1.00 0.00 O ATOM 0 H GLU A 17 5.893 -4.351 -10.914 1.00 0.00 H new ATOM 0 HA GLU A 17 8.760 -4.301 -9.965 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.385 -5.893 -11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.632 -4.580 -12.822 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.653 -3.484 -13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.341 -3.985 -11.672 1.00 0.00 H new ATOM 284 N SER A 18 7.851 -2.119 -12.122 1.00 0.00 N ATOM 285 CA SER A 18 7.793 -0.642 -12.332 1.00 0.00 C ATOM 286 C SER A 18 6.347 -0.139 -12.352 1.00 0.00 C ATOM 287 O SER A 18 6.093 1.035 -12.176 1.00 0.00 O ATOM 288 CB SER A 18 8.446 -0.413 -13.693 1.00 0.00 C ATOM 289 OG SER A 18 8.742 0.968 -13.845 1.00 0.00 O ATOM 0 H SER A 18 7.823 -2.680 -12.973 1.00 0.00 H new ATOM 0 HA SER A 18 8.296 -0.104 -11.528 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.358 -1.004 -13.775 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.779 -0.744 -14.489 1.00 0.00 H new ATOM 0 HG SER A 18 9.163 1.118 -14.717 1.00 0.00 H new ATOM 295 N MET A 19 5.395 -1.004 -12.568 1.00 0.00 N ATOM 296 CA MET A 19 3.978 -0.540 -12.595 1.00 0.00 C ATOM 297 C MET A 19 3.617 0.073 -11.242 1.00 0.00 C ATOM 298 O MET A 19 2.847 1.009 -11.152 1.00 0.00 O ATOM 299 CB MET A 19 3.146 -1.794 -12.863 1.00 0.00 C ATOM 300 CG MET A 19 2.418 -1.639 -14.200 1.00 0.00 C ATOM 301 SD MET A 19 2.082 -3.272 -14.901 1.00 0.00 S ATOM 302 CE MET A 19 0.279 -3.207 -14.767 1.00 0.00 C ATOM 0 H MET A 19 5.533 -2.002 -12.726 1.00 0.00 H new ATOM 0 HA MET A 19 3.801 0.222 -13.354 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.789 -2.674 -12.885 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.426 -1.946 -12.059 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.485 -1.095 -14.056 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.025 -1.054 -14.890 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.148 -4.133 -15.151 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.004 -3.083 -13.722 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.099 -2.365 -15.348 1.00 0.00 H new ATOM 312 N ILE A 20 4.180 -0.453 -10.193 1.00 0.00 N ATOM 313 CA ILE A 20 3.893 0.081 -8.830 1.00 0.00 C ATOM 314 C ILE A 20 4.899 1.176 -8.470 1.00 0.00 C ATOM 315 O ILE A 20 4.884 1.716 -7.382 1.00 0.00 O ATOM 316 CB ILE A 20 4.058 -1.123 -7.905 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.801 -0.707 -6.451 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.479 -1.664 -8.018 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.860 -1.718 -5.772 1.00 0.00 C ATOM 0 H ILE A 20 4.832 -1.237 -10.219 1.00 0.00 H new ATOM 0 HA ILE A 20 2.901 0.527 -8.755 1.00 0.00 H new ATOM 0 HB ILE A 20 3.342 -1.891 -8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.744 -0.654 -5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.360 0.289 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.595 -2.523 -7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.672 -1.969 -9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.188 -0.887 -7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.683 -1.414 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.912 -1.749 -6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.318 -2.707 -5.786 1.00 0.00 H new ATOM 331 N ALA A 21 5.774 1.505 -9.376 1.00 0.00 N ATOM 332 CA ALA A 21 6.783 2.562 -9.091 1.00 0.00 C ATOM 333 C ALA A 21 6.304 3.907 -9.643 1.00 0.00 C ATOM 334 O ALA A 21 6.178 4.876 -8.922 1.00 0.00 O ATOM 335 CB ALA A 21 8.044 2.094 -9.812 1.00 0.00 C ATOM 0 H ALA A 21 5.835 1.087 -10.304 1.00 0.00 H new ATOM 0 HA ALA A 21 6.954 2.706 -8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.843 2.818 -9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.350 1.125 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.841 2.004 -10.879 1.00 0.00 H new ATOM 341 N MET A 22 6.027 3.970 -10.916 1.00 0.00 N ATOM 342 CA MET A 22 5.545 5.248 -11.512 1.00 0.00 C ATOM 343 C MET A 22 4.092 5.499 -11.097 1.00 0.00 C ATOM 344 O MET A 22 3.499 6.504 -11.439 1.00 0.00 O ATOM 345 CB MET A 22 5.647 5.040 -13.023 1.00 0.00 C ATOM 346 CG MET A 22 5.229 6.320 -13.750 1.00 0.00 C ATOM 347 SD MET A 22 5.117 5.993 -15.527 1.00 0.00 S ATOM 348 CE MET A 22 6.777 6.565 -15.961 1.00 0.00 C ATOM 0 H MET A 22 6.114 3.192 -11.570 1.00 0.00 H new ATOM 0 HA MET A 22 6.125 6.110 -11.182 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.668 4.773 -13.295 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.009 4.211 -13.330 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.268 6.669 -13.372 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.953 7.112 -13.560 1.00 0.00 H new ATOM 0 HE1 MET A 22 6.931 6.453 -17.034 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.884 7.614 -15.686 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.518 5.972 -15.424 1.00 0.00 H new ATOM 358 N LEU A 23 3.517 4.584 -10.362 1.00 0.00 N ATOM 359 CA LEU A 23 2.103 4.749 -9.918 1.00 0.00 C ATOM 360 C LEU A 23 2.062 5.277 -8.477 1.00 0.00 C ATOM 361 O LEU A 23 1.120 5.925 -8.069 1.00 0.00 O ATOM 362 CB LEU A 23 1.512 3.334 -10.025 1.00 0.00 C ATOM 363 CG LEU A 23 0.322 3.150 -9.072 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.834 2.936 -7.645 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.592 4.380 -9.119 1.00 0.00 C ATOM 0 H LEU A 23 3.969 3.725 -10.049 1.00 0.00 H new ATOM 0 HA LEU A 23 1.542 5.467 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.191 3.149 -11.050 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.282 2.598 -9.794 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.251 2.277 -9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.012 2.806 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.463 2.047 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.416 3.803 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.431 4.236 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.029 5.263 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.967 4.516 -10.133 1.00 0.00 H new ATOM 377 N ILE A 24 3.077 5.009 -7.699 1.00 0.00 N ATOM 378 CA ILE A 24 3.078 5.501 -6.289 1.00 0.00 C ATOM 379 C ILE A 24 3.734 6.881 -6.198 1.00 0.00 C ATOM 380 O ILE A 24 3.268 7.757 -5.497 1.00 0.00 O ATOM 381 CB ILE A 24 3.894 4.478 -5.498 1.00 0.00 C ATOM 382 CG1 ILE A 24 3.758 4.779 -4.003 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.367 4.569 -5.902 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.158 3.545 -3.192 1.00 0.00 C ATOM 0 H ILE A 24 3.900 4.474 -7.976 1.00 0.00 H new ATOM 0 HA ILE A 24 2.064 5.603 -5.902 1.00 0.00 H new ATOM 0 HB ILE A 24 3.525 3.474 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.391 5.625 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.731 5.062 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.945 3.839 -5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.465 4.363 -6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.741 5.571 -5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.060 3.761 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.507 2.711 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.192 3.282 -3.415 1.00 0.00 H new ATOM 396 N GLU A 25 4.819 7.076 -6.892 1.00 0.00 N ATOM 397 CA GLU A 25 5.514 8.394 -6.835 1.00 0.00 C ATOM 398 C GLU A 25 4.761 9.445 -7.657 1.00 0.00 C ATOM 399 O GLU A 25 4.825 10.624 -7.374 1.00 0.00 O ATOM 400 CB GLU A 25 6.897 8.129 -7.431 1.00 0.00 C ATOM 401 CG GLU A 25 7.623 7.083 -6.581 1.00 0.00 C ATOM 402 CD GLU A 25 9.062 7.538 -6.329 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.236 8.564 -5.693 1.00 0.00 O ATOM 404 OE2 GLU A 25 9.966 6.853 -6.778 1.00 0.00 O ATOM 0 H GLU A 25 5.256 6.381 -7.497 1.00 0.00 H new ATOM 0 HA GLU A 25 5.570 8.785 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.801 7.777 -8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.475 9.053 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.103 6.945 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.619 6.119 -7.090 1.00 0.00 H new ATOM 411 N ASP A 26 4.052 9.034 -8.673 1.00 0.00 N ATOM 412 CA ASP A 26 3.308 10.025 -9.502 1.00 0.00 C ATOM 413 C ASP A 26 2.054 10.511 -8.761 1.00 0.00 C ATOM 414 O ASP A 26 1.812 11.697 -8.653 1.00 0.00 O ATOM 415 CB ASP A 26 2.953 9.276 -10.798 1.00 0.00 C ATOM 416 CG ASP A 26 1.615 8.541 -10.653 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.532 7.655 -9.818 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.698 8.876 -11.386 1.00 0.00 O ATOM 0 H ASP A 26 3.956 8.061 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 26 3.895 10.919 -9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.898 9.981 -11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.741 8.562 -11.038 1.00 0.00 H new ATOM 423 N THR A 27 1.259 9.613 -8.242 1.00 0.00 N ATOM 424 CA THR A 27 0.038 10.050 -7.509 1.00 0.00 C ATOM 425 C THR A 27 0.435 11.009 -6.389 1.00 0.00 C ATOM 426 O THR A 27 -0.206 12.016 -6.158 1.00 0.00 O ATOM 427 CB THR A 27 -0.571 8.769 -6.939 1.00 0.00 C ATOM 428 OG1 THR A 27 -1.761 9.089 -6.231 1.00 0.00 O ATOM 429 CG2 THR A 27 0.426 8.095 -5.993 1.00 0.00 C ATOM 0 H THR A 27 1.401 8.604 -8.294 1.00 0.00 H new ATOM 0 HA THR A 27 -0.672 10.574 -8.149 1.00 0.00 H new ATOM 0 HB THR A 27 -0.804 8.085 -7.755 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.158 8.269 -5.871 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.014 7.183 -5.590 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.336 7.848 -6.539 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.667 8.774 -5.175 1.00 0.00 H new ATOM 437 N LEU A 28 1.499 10.708 -5.701 1.00 0.00 N ATOM 438 CA LEU A 28 1.955 11.605 -4.608 1.00 0.00 C ATOM 439 C LEU A 28 2.292 12.980 -5.191 1.00 0.00 C ATOM 440 O LEU A 28 2.025 14.004 -4.594 1.00 0.00 O ATOM 441 CB LEU A 28 3.193 10.898 -4.031 1.00 0.00 C ATOM 442 CG LEU A 28 4.469 11.720 -4.269 1.00 0.00 C ATOM 443 CD1 LEU A 28 4.472 12.942 -3.348 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.692 10.854 -3.969 1.00 0.00 C ATOM 0 H LEU A 28 2.073 9.878 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 28 1.206 11.777 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.056 10.737 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.300 9.915 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 28 4.500 12.050 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.378 13.524 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.599 13.559 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.441 12.614 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.599 11.435 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.659 10.525 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.691 9.984 -4.625 1.00 0.00 H new ATOM 456 N CYS A 29 2.876 13.004 -6.359 1.00 0.00 N ATOM 457 CA CYS A 29 3.229 14.304 -6.988 1.00 0.00 C ATOM 458 C CYS A 29 2.009 15.227 -6.984 1.00 0.00 C ATOM 459 O CYS A 29 2.127 16.431 -7.092 1.00 0.00 O ATOM 460 CB CYS A 29 3.635 13.953 -8.418 1.00 0.00 C ATOM 461 SG CYS A 29 5.233 14.715 -8.794 1.00 0.00 S ATOM 0 H CYS A 29 3.123 12.177 -6.903 1.00 0.00 H new ATOM 0 HA CYS A 29 4.027 14.824 -6.458 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.699 12.871 -8.534 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.878 14.304 -9.119 1.00 0.00 H new ATOM 0 HG CYS A 29 5.581 14.415 -10.010 1.00 0.00 H new ATOM 467 N GLU A 30 0.835 14.666 -6.862 1.00 0.00 N ATOM 468 CA GLU A 30 -0.394 15.501 -6.852 1.00 0.00 C ATOM 469 C GLU A 30 -0.833 15.793 -5.414 1.00 0.00 C ATOM 470 O GLU A 30 -1.461 16.798 -5.138 1.00 0.00 O ATOM 471 CB GLU A 30 -1.449 14.659 -7.575 1.00 0.00 C ATOM 472 CG GLU A 30 -1.950 15.416 -8.809 1.00 0.00 C ATOM 473 CD GLU A 30 -3.208 16.209 -8.450 1.00 0.00 C ATOM 474 OE1 GLU A 30 -3.760 15.957 -7.392 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.599 17.053 -9.240 1.00 0.00 O ATOM 0 H GLU A 30 0.678 13.663 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.238 16.466 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.024 13.700 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.281 14.445 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.175 16.090 -9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.168 14.715 -9.615 1.00 0.00 H new ATOM 482 N LEU A 31 -0.517 14.921 -4.494 1.00 0.00 N ATOM 483 CA LEU A 31 -0.933 15.154 -3.079 1.00 0.00 C ATOM 484 C LEU A 31 0.261 15.595 -2.221 1.00 0.00 C ATOM 485 O LEU A 31 0.231 16.639 -1.599 1.00 0.00 O ATOM 486 CB LEU A 31 -1.485 13.810 -2.605 1.00 0.00 C ATOM 487 CG LEU A 31 -2.637 13.390 -3.521 1.00 0.00 C ATOM 488 CD1 LEU A 31 -2.476 11.920 -3.913 1.00 0.00 C ATOM 489 CD2 LEU A 31 -3.966 13.580 -2.786 1.00 0.00 C ATOM 0 H LEU A 31 0.008 14.062 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.673 15.950 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.699 13.055 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.833 13.889 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.626 14.005 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.298 11.625 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.530 11.785 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.485 11.301 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.788 13.281 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.975 12.966 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.083 14.628 -2.511 1.00 0.00 H new ATOM 501 N GLY A 32 1.313 14.822 -2.180 1.00 0.00 N ATOM 502 CA GLY A 32 2.490 15.229 -1.358 1.00 0.00 C ATOM 503 C GLY A 32 3.014 14.034 -0.556 1.00 0.00 C ATOM 504 O GLY A 32 4.128 14.046 -0.072 1.00 0.00 O ATOM 0 H GLY A 32 1.409 13.935 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.278 15.616 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.208 16.035 -0.681 1.00 0.00 H new ATOM 508 N HIS A 33 2.219 13.008 -0.410 1.00 0.00 N ATOM 509 CA HIS A 33 2.662 11.808 0.362 1.00 0.00 C ATOM 510 C HIS A 33 4.142 11.512 0.104 1.00 0.00 C ATOM 511 O HIS A 33 4.704 11.929 -0.888 1.00 0.00 O ATOM 512 CB HIS A 33 1.797 10.667 -0.172 1.00 0.00 C ATOM 513 CG HIS A 33 0.431 10.741 0.450 1.00 0.00 C ATOM 514 ND1 HIS A 33 -0.719 10.381 -0.236 1.00 0.00 N ATOM 515 CD2 HIS A 33 0.017 11.130 1.697 1.00 0.00 C ATOM 516 CE1 HIS A 33 -1.761 10.560 0.598 1.00 0.00 C ATOM 517 NE2 HIS A 33 -1.368 11.016 1.789 1.00 0.00 N ATOM 0 H HIS A 33 1.276 12.948 -0.794 1.00 0.00 H new ATOM 0 HA HIS A 33 2.554 11.950 1.437 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.718 10.733 -1.257 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.261 9.707 0.056 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.666 11.473 2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.789 10.359 0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.956 11.234 2.594 1.00 0.00 H new ATOM 525 N GLU A 34 4.775 10.792 0.991 1.00 0.00 N ATOM 526 CA GLU A 34 6.214 10.467 0.789 1.00 0.00 C ATOM 527 C GLU A 34 6.382 8.970 0.528 1.00 0.00 C ATOM 528 O GLU A 34 6.686 8.208 1.423 1.00 0.00 O ATOM 529 CB GLU A 34 6.910 10.868 2.089 1.00 0.00 C ATOM 530 CG GLU A 34 8.388 11.153 1.806 1.00 0.00 C ATOM 531 CD GLU A 34 8.502 12.309 0.811 1.00 0.00 C ATOM 532 OE1 GLU A 34 7.478 12.889 0.488 1.00 0.00 O ATOM 533 OE2 GLU A 34 9.611 12.595 0.390 1.00 0.00 O ATOM 0 H GLU A 34 4.359 10.417 1.843 1.00 0.00 H new ATOM 0 HA GLU A 34 6.636 10.991 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.432 11.751 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.816 10.070 2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.905 11.404 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.870 10.263 1.403 1.00 0.00 H new ATOM 540 N VAL A 35 6.171 8.564 -0.700 1.00 0.00 N ATOM 541 CA VAL A 35 6.299 7.124 -1.092 1.00 0.00 C ATOM 542 C VAL A 35 7.201 6.359 -0.123 1.00 0.00 C ATOM 543 O VAL A 35 8.225 6.848 0.310 1.00 0.00 O ATOM 544 CB VAL A 35 6.921 7.158 -2.488 1.00 0.00 C ATOM 545 CG1 VAL A 35 5.890 7.674 -3.492 1.00 0.00 C ATOM 546 CG2 VAL A 35 8.133 8.094 -2.484 1.00 0.00 C ATOM 0 H VAL A 35 5.909 9.185 -1.466 1.00 0.00 H new ATOM 0 HA VAL A 35 5.336 6.613 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 35 7.235 6.153 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.333 7.699 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.024 7.013 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.578 8.679 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.577 8.119 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.816 9.098 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.870 7.732 -1.767 1.00 0.00 H new ATOM 556 N ALA A 36 6.820 5.164 0.228 1.00 0.00 N ATOM 557 CA ALA A 36 7.640 4.373 1.175 1.00 0.00 C ATOM 558 C ALA A 36 8.234 3.143 0.485 1.00 0.00 C ATOM 559 O ALA A 36 9.434 2.959 0.462 1.00 0.00 O ATOM 560 CB ALA A 36 6.671 3.956 2.278 1.00 0.00 C ATOM 0 H ALA A 36 5.973 4.702 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 36 8.483 4.945 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.201 3.363 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.254 4.845 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.865 3.361 1.848 1.00 0.00 H new ATOM 566 N ALA A 37 7.410 2.293 -0.071 1.00 0.00 N ATOM 567 CA ALA A 37 7.951 1.080 -0.743 1.00 0.00 C ATOM 568 C ALA A 37 7.440 0.985 -2.182 1.00 0.00 C ATOM 569 O ALA A 37 6.348 1.420 -2.494 1.00 0.00 O ATOM 570 CB ALA A 37 7.431 -0.092 0.088 1.00 0.00 C ATOM 0 H ALA A 37 6.394 2.387 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 37 9.039 1.095 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.786 -1.029 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.794 -0.002 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.341 -0.083 0.088 1.00 0.00 H new ATOM 576 N THR A 38 8.222 0.405 -3.056 1.00 0.00 N ATOM 577 CA THR A 38 7.795 0.262 -4.479 1.00 0.00 C ATOM 578 C THR A 38 8.241 -1.102 -5.026 1.00 0.00 C ATOM 579 O THR A 38 9.325 -1.570 -4.739 1.00 0.00 O ATOM 580 CB THR A 38 8.499 1.401 -5.217 1.00 0.00 C ATOM 581 OG1 THR A 38 9.882 1.104 -5.341 1.00 0.00 O ATOM 582 CG2 THR A 38 8.325 2.701 -4.431 1.00 0.00 C ATOM 0 H THR A 38 9.143 0.022 -2.843 1.00 0.00 H new ATOM 0 HA THR A 38 6.713 0.311 -4.599 1.00 0.00 H new ATOM 0 HB THR A 38 8.063 1.514 -6.209 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.332 1.834 -5.816 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.827 3.514 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.263 2.930 -4.337 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.761 2.587 -3.438 1.00 0.00 H new ATOM 590 N ALA A 39 7.403 -1.747 -5.799 1.00 0.00 N ATOM 591 CA ALA A 39 7.761 -3.092 -6.357 1.00 0.00 C ATOM 592 C ALA A 39 7.710 -4.133 -5.246 1.00 0.00 C ATOM 593 O ALA A 39 7.601 -3.802 -4.091 1.00 0.00 O ATOM 594 CB ALA A 39 9.175 -2.947 -6.898 1.00 0.00 C ATOM 0 H ALA A 39 6.483 -1.400 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 39 7.073 -3.415 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.501 -3.896 -7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.192 -2.179 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.847 -2.661 -6.089 1.00 0.00 H new ATOM 600 N SER A 40 7.770 -5.391 -5.571 1.00 0.00 N ATOM 601 CA SER A 40 7.702 -6.417 -4.495 1.00 0.00 C ATOM 602 C SER A 40 9.104 -6.793 -4.005 1.00 0.00 C ATOM 603 O SER A 40 9.944 -7.242 -4.760 1.00 0.00 O ATOM 604 CB SER A 40 6.988 -7.608 -5.119 1.00 0.00 C ATOM 605 OG SER A 40 7.831 -8.218 -6.089 1.00 0.00 O ATOM 0 H SER A 40 7.862 -5.751 -6.521 1.00 0.00 H new ATOM 0 HA SER A 40 7.171 -6.051 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.723 -8.331 -4.347 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.057 -7.283 -5.584 1.00 0.00 H new ATOM 0 HG SER A 40 8.769 -8.072 -5.846 1.00 0.00 H new ATOM 611 N ARG A 41 9.352 -6.605 -2.733 1.00 0.00 N ATOM 612 CA ARG A 41 10.682 -6.938 -2.158 1.00 0.00 C ATOM 613 C ARG A 41 10.497 -7.693 -0.836 1.00 0.00 C ATOM 614 O ARG A 41 9.743 -7.278 0.023 1.00 0.00 O ATOM 615 CB ARG A 41 11.361 -5.588 -1.914 1.00 0.00 C ATOM 616 CG ARG A 41 12.878 -5.740 -2.055 1.00 0.00 C ATOM 617 CD ARG A 41 13.269 -5.622 -3.529 1.00 0.00 C ATOM 618 NE ARG A 41 14.753 -5.743 -3.543 1.00 0.00 N ATOM 619 CZ ARG A 41 15.390 -5.797 -4.679 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.939 -6.556 -5.639 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.475 -5.093 -4.852 1.00 0.00 N ATOM 0 H ARG A 41 8.679 -6.230 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 41 11.274 -7.574 -2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.992 -4.850 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.114 -5.220 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.387 -4.973 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.196 -6.705 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.803 -6.407 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.946 -4.669 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 41 15.270 -5.784 -2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.091 -7.105 -5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.435 -6.601 -6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.824 -4.501 -4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.974 -5.135 -5.741 1.00 0.00 H new ATOM 635 N MET A 42 11.172 -8.797 -0.666 1.00 0.00 N ATOM 636 CA MET A 42 11.029 -9.575 0.596 1.00 0.00 C ATOM 637 C MET A 42 11.804 -8.902 1.733 1.00 0.00 C ATOM 638 O MET A 42 11.438 -9.004 2.882 1.00 0.00 O ATOM 639 CB MET A 42 11.626 -10.947 0.281 1.00 0.00 C ATOM 640 CG MET A 42 10.861 -11.581 -0.883 1.00 0.00 C ATOM 641 SD MET A 42 12.021 -12.425 -1.986 1.00 0.00 S ATOM 642 CE MET A 42 11.995 -11.200 -3.318 1.00 0.00 C ATOM 0 H MET A 42 11.818 -9.194 -1.349 1.00 0.00 H new ATOM 0 HA MET A 42 9.991 -9.642 0.921 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.681 -10.846 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.571 -11.590 1.160 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.124 -12.289 -0.504 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.314 -10.815 -1.432 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.478 -11.614 -4.203 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.963 -10.942 -3.555 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.529 -10.305 -2.999 1.00 0.00 H new ATOM 652 N GLN A 43 12.873 -8.221 1.422 1.00 0.00 N ATOM 653 CA GLN A 43 13.672 -7.551 2.491 1.00 0.00 C ATOM 654 C GLN A 43 12.884 -6.389 3.100 1.00 0.00 C ATOM 655 O GLN A 43 12.631 -6.351 4.288 1.00 0.00 O ATOM 656 CB GLN A 43 14.922 -7.031 1.779 1.00 0.00 C ATOM 657 CG GLN A 43 15.967 -6.606 2.812 1.00 0.00 C ATOM 658 CD GLN A 43 17.310 -7.256 2.474 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.369 -8.174 1.681 1.00 0.00 O ATOM 660 NE2 GLN A 43 18.398 -6.817 3.045 1.00 0.00 N ATOM 0 H GLN A 43 13.229 -8.099 0.474 1.00 0.00 H new ATOM 0 HA GLN A 43 13.915 -8.230 3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.332 -7.806 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.663 -6.186 1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.067 -5.521 2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.648 -6.903 3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 43 18.349 -6.046 3.711 1.00 0.00 H new ATOM 0 HE22 GLN A 43 19.298 -7.245 2.825 1.00 0.00 H new ATOM 669 N GLU A 44 12.498 -5.438 2.295 1.00 0.00 N ATOM 670 CA GLU A 44 11.732 -4.276 2.821 1.00 0.00 C ATOM 671 C GLU A 44 10.349 -4.734 3.282 1.00 0.00 C ATOM 672 O GLU A 44 9.780 -4.192 4.209 1.00 0.00 O ATOM 673 CB GLU A 44 11.618 -3.307 1.644 1.00 0.00 C ATOM 674 CG GLU A 44 13.011 -2.790 1.272 1.00 0.00 C ATOM 675 CD GLU A 44 13.714 -2.269 2.527 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.432 -1.149 2.920 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.524 -3.000 3.073 1.00 0.00 O ATOM 0 H GLU A 44 12.681 -5.417 1.292 1.00 0.00 H new ATOM 0 HA GLU A 44 12.217 -3.810 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.164 -3.808 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.967 -2.473 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.598 -3.589 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.929 -1.995 0.531 1.00 0.00 H new ATOM 684 N ALA A 45 9.813 -5.740 2.650 1.00 0.00 N ATOM 685 CA ALA A 45 8.476 -6.246 3.060 1.00 0.00 C ATOM 686 C ALA A 45 8.600 -6.917 4.423 1.00 0.00 C ATOM 687 O ALA A 45 7.707 -6.861 5.243 1.00 0.00 O ATOM 688 CB ALA A 45 8.085 -7.264 1.989 1.00 0.00 C ATOM 0 H ALA A 45 10.243 -6.233 1.868 1.00 0.00 H new ATOM 0 HA ALA A 45 7.729 -5.457 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.106 -7.682 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.046 -6.772 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.824 -8.065 1.961 1.00 0.00 H new ATOM 694 N LEU A 46 9.716 -7.537 4.676 1.00 0.00 N ATOM 695 CA LEU A 46 9.915 -8.195 5.988 1.00 0.00 C ATOM 696 C LEU A 46 9.820 -7.144 7.092 1.00 0.00 C ATOM 697 O LEU A 46 9.426 -7.425 8.206 1.00 0.00 O ATOM 698 CB LEU A 46 11.328 -8.775 5.923 1.00 0.00 C ATOM 699 CG LEU A 46 11.418 -10.041 6.778 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.677 -9.833 8.100 1.00 0.00 C ATOM 701 CD2 LEU A 46 10.787 -11.208 6.014 1.00 0.00 C ATOM 0 H LEU A 46 10.499 -7.615 4.027 1.00 0.00 H new ATOM 0 HA LEU A 46 9.172 -8.964 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.587 -9.006 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.049 -8.037 6.275 1.00 0.00 H new ATOM 0 HG LEU A 46 12.464 -10.261 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.746 -10.739 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.127 -9.001 8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.629 -9.610 7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.848 -12.113 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.742 -10.982 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.322 -11.361 5.076 1.00 0.00 H new ATOM 713 N ASP A 47 10.185 -5.928 6.782 1.00 0.00 N ATOM 714 CA ASP A 47 10.125 -4.845 7.798 1.00 0.00 C ATOM 715 C ASP A 47 8.673 -4.423 8.053 1.00 0.00 C ATOM 716 O ASP A 47 8.214 -4.414 9.175 1.00 0.00 O ATOM 717 CB ASP A 47 10.926 -3.691 7.194 1.00 0.00 C ATOM 718 CG ASP A 47 11.231 -2.656 8.279 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.695 -2.791 9.366 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.996 -1.747 8.003 1.00 0.00 O ATOM 0 H ASP A 47 10.523 -5.640 5.864 1.00 0.00 H new ATOM 0 HA ASP A 47 10.528 -5.162 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.854 -4.066 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.362 -3.228 6.384 1.00 0.00 H new ATOM 725 N ILE A 48 7.945 -4.073 7.022 1.00 0.00 N ATOM 726 CA ILE A 48 6.519 -3.648 7.234 1.00 0.00 C ATOM 727 C ILE A 48 5.701 -4.832 7.767 1.00 0.00 C ATOM 728 O ILE A 48 4.570 -4.677 8.178 1.00 0.00 O ATOM 729 CB ILE A 48 5.948 -3.119 5.876 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.839 -4.040 5.341 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.036 -2.993 4.808 1.00 0.00 C ATOM 732 CD1 ILE A 48 5.452 -5.331 4.803 1.00 0.00 C ATOM 0 H ILE A 48 8.267 -4.061 6.054 1.00 0.00 H new ATOM 0 HA ILE A 48 6.462 -2.848 7.972 1.00 0.00 H new ATOM 0 HB ILE A 48 5.538 -2.131 6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.128 -4.268 6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.283 -3.534 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.596 -2.623 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.802 -2.297 5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.486 -3.970 4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.661 -5.979 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.145 -5.096 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.988 -5.841 5.604 1.00 0.00 H new ATOM 744 N ALA A 49 6.259 -6.009 7.765 1.00 0.00 N ATOM 745 CA ALA A 49 5.503 -7.181 8.275 1.00 0.00 C ATOM 746 C ALA A 49 5.755 -7.335 9.770 1.00 0.00 C ATOM 747 O ALA A 49 4.885 -7.719 10.526 1.00 0.00 O ATOM 748 CB ALA A 49 6.051 -8.384 7.509 1.00 0.00 C ATOM 0 H ALA A 49 7.203 -6.208 7.433 1.00 0.00 H new ATOM 0 HA ALA A 49 4.427 -7.078 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.537 -9.288 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.889 -8.240 6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.119 -8.484 7.704 1.00 0.00 H new ATOM 754 N ARG A 50 6.943 -7.032 10.199 1.00 0.00 N ATOM 755 CA ARG A 50 7.264 -7.151 11.635 1.00 0.00 C ATOM 756 C ARG A 50 7.332 -5.756 12.263 1.00 0.00 C ATOM 757 O ARG A 50 7.270 -5.602 13.466 1.00 0.00 O ATOM 758 CB ARG A 50 8.623 -7.849 11.674 1.00 0.00 C ATOM 759 CG ARG A 50 8.415 -9.368 11.688 1.00 0.00 C ATOM 760 CD ARG A 50 8.016 -9.852 10.289 1.00 0.00 C ATOM 761 NE ARG A 50 7.069 -10.978 10.523 1.00 0.00 N ATOM 762 CZ ARG A 50 5.806 -10.845 10.217 1.00 0.00 C ATOM 763 NH1 ARG A 50 4.965 -10.386 11.102 1.00 0.00 N ATOM 764 NH2 ARG A 50 5.384 -11.175 9.025 1.00 0.00 N ATOM 0 H ARG A 50 7.708 -6.705 9.609 1.00 0.00 H new ATOM 0 HA ARG A 50 6.515 -7.710 12.196 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.217 -7.560 10.807 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.178 -7.539 12.559 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.330 -9.866 12.008 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.640 -9.631 12.408 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.545 -9.054 9.715 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.887 -10.181 9.722 1.00 0.00 H new ATOM 0 HE ARG A 50 7.407 -11.854 10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.293 -10.131 12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.979 -10.282 10.863 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.041 -11.536 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.398 -11.071 8.786 1.00 0.00 H new ATOM 778 N LYS A 51 7.449 -4.739 11.449 1.00 0.00 N ATOM 779 CA LYS A 51 7.511 -3.349 11.984 1.00 0.00 C ATOM 780 C LYS A 51 6.186 -2.992 12.661 1.00 0.00 C ATOM 781 O LYS A 51 6.155 -2.486 13.766 1.00 0.00 O ATOM 782 CB LYS A 51 7.737 -2.459 10.755 1.00 0.00 C ATOM 783 CG LYS A 51 7.363 -1.013 11.086 1.00 0.00 C ATOM 784 CD LYS A 51 7.906 -0.082 10.000 1.00 0.00 C ATOM 785 CE LYS A 51 9.415 0.093 10.182 1.00 0.00 C ATOM 786 NZ LYS A 51 9.763 1.299 9.378 1.00 0.00 N ATOM 0 H LYS A 51 7.504 -4.813 10.433 1.00 0.00 H new ATOM 0 HA LYS A 51 8.299 -3.226 12.727 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.780 -2.512 10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.136 -2.818 9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.280 -0.914 11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.772 -0.734 12.057 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.694 -0.495 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.408 0.886 10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.673 0.231 11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.959 -0.785 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.784 1.484 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.513 1.136 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.235 2.120 9.737 1.00 0.00 H new ATOM 800 N GLY A 52 5.091 -3.245 11.999 1.00 0.00 N ATOM 801 CA GLY A 52 3.770 -2.911 12.596 1.00 0.00 C ATOM 802 C GLY A 52 3.768 -1.435 12.991 1.00 0.00 C ATOM 803 O GLY A 52 3.419 -1.076 14.097 1.00 0.00 O ATOM 0 H GLY A 52 5.055 -3.668 11.072 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.971 -3.112 11.882 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.581 -3.536 13.469 1.00 0.00 H new ATOM 807 N GLN A 53 4.162 -0.576 12.090 1.00 0.00 N ATOM 808 CA GLN A 53 4.193 0.882 12.404 1.00 0.00 C ATOM 809 C GLN A 53 3.859 1.693 11.151 1.00 0.00 C ATOM 810 O GLN A 53 3.111 2.649 11.204 1.00 0.00 O ATOM 811 CB GLN A 53 5.626 1.162 12.860 1.00 0.00 C ATOM 812 CG GLN A 53 5.612 1.634 14.315 1.00 0.00 C ATOM 813 CD GLN A 53 6.678 2.714 14.515 1.00 0.00 C ATOM 814 OE1 GLN A 53 7.618 2.523 15.261 1.00 0.00 O ATOM 815 NE2 GLN A 53 6.570 3.849 13.879 1.00 0.00 N ATOM 0 H GLN A 53 4.465 -0.822 11.147 1.00 0.00 H new ATOM 0 HA GLN A 53 3.465 1.157 13.167 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.233 0.262 12.764 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.080 1.922 12.224 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.628 2.028 14.571 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.802 0.793 14.982 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.781 4.010 13.253 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.275 4.575 14.008 1.00 0.00 H new ATOM 824 N PHE A 54 4.400 1.312 10.025 1.00 0.00 N ATOM 825 CA PHE A 54 4.105 2.052 8.764 1.00 0.00 C ATOM 826 C PHE A 54 2.616 2.401 8.708 1.00 0.00 C ATOM 827 O PHE A 54 1.785 1.686 9.232 1.00 0.00 O ATOM 828 CB PHE A 54 4.453 1.068 7.650 1.00 0.00 C ATOM 829 CG PHE A 54 3.670 -0.203 7.864 1.00 0.00 C ATOM 830 CD1 PHE A 54 4.204 -1.227 8.653 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.401 -0.350 7.289 1.00 0.00 C ATOM 832 CE1 PHE A 54 3.472 -2.399 8.867 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.670 -1.525 7.500 1.00 0.00 C ATOM 834 CZ PHE A 54 2.205 -2.548 8.291 1.00 0.00 C ATOM 0 H PHE A 54 5.034 0.519 9.924 1.00 0.00 H new ATOM 0 HA PHE A 54 4.664 2.984 8.683 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.215 1.499 6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.523 0.858 7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.182 -1.112 9.097 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.987 0.443 6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.884 -3.189 9.477 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.694 -1.642 7.053 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.640 -3.453 8.457 1.00 0.00 H new ATOM 844 N ASP A 55 2.268 3.485 8.079 1.00 0.00 N ATOM 845 CA ASP A 55 0.828 3.858 8.001 1.00 0.00 C ATOM 846 C ASP A 55 0.049 2.783 7.237 1.00 0.00 C ATOM 847 O ASP A 55 -0.911 2.228 7.735 1.00 0.00 O ATOM 848 CB ASP A 55 0.798 5.185 7.243 1.00 0.00 C ATOM 849 CG ASP A 55 1.554 6.249 8.042 1.00 0.00 C ATOM 850 OD1 ASP A 55 1.149 6.520 9.160 1.00 0.00 O ATOM 851 OD2 ASP A 55 2.524 6.774 7.522 1.00 0.00 O ATOM 0 H ASP A 55 2.912 4.127 7.617 1.00 0.00 H new ATOM 0 HA ASP A 55 0.370 3.946 8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.251 5.064 6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.233 5.500 7.082 1.00 0.00 H new ATOM 856 N ILE A 56 0.449 2.489 6.029 1.00 0.00 N ATOM 857 CA ILE A 56 -0.283 1.455 5.241 1.00 0.00 C ATOM 858 C ILE A 56 0.692 0.520 4.529 1.00 0.00 C ATOM 859 O ILE A 56 1.866 0.808 4.410 1.00 0.00 O ATOM 860 CB ILE A 56 -1.085 2.257 4.225 1.00 0.00 C ATOM 861 CG1 ILE A 56 -2.185 3.030 4.980 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.661 1.301 3.173 1.00 0.00 C ATOM 863 CD1 ILE A 56 -3.411 3.267 4.095 1.00 0.00 C ATOM 0 H ILE A 56 1.245 2.916 5.556 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.910 0.823 5.871 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.459 2.979 3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.479 2.472 5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.790 3.987 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.237 1.869 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.846 0.781 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.310 0.573 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.166 3.814 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.121 3.847 3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.820 2.308 3.776 1.00 0.00 H new ATOM 875 N ALA A 57 0.219 -0.606 4.055 1.00 0.00 N ATOM 876 CA ALA A 57 1.132 -1.546 3.361 1.00 0.00 C ATOM 877 C ALA A 57 0.466 -2.116 2.113 1.00 0.00 C ATOM 878 O ALA A 57 -0.733 -2.081 1.960 1.00 0.00 O ATOM 879 CB ALA A 57 1.371 -2.660 4.376 1.00 0.00 C ATOM 0 H ALA A 57 -0.753 -0.907 4.121 1.00 0.00 H new ATOM 0 HA ALA A 57 2.054 -1.063 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.040 -3.406 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.823 -2.242 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.421 -3.129 4.632 1.00 0.00 H new ATOM 885 N ILE A 58 1.240 -2.663 1.232 1.00 0.00 N ATOM 886 CA ILE A 58 0.666 -3.279 0.011 1.00 0.00 C ATOM 887 C ILE A 58 1.640 -4.346 -0.485 1.00 0.00 C ATOM 888 O ILE A 58 2.821 -4.112 -0.629 1.00 0.00 O ATOM 889 CB ILE A 58 0.473 -2.150 -0.995 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.825 -1.405 -0.676 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.397 -2.730 -2.406 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.507 -0.194 0.207 1.00 0.00 C ATOM 0 H ILE A 58 2.256 -2.712 1.303 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.293 -3.767 0.183 1.00 0.00 H new ATOM 0 HB ILE A 58 1.314 -1.459 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.308 -1.081 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.523 -2.069 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.259 -1.922 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.321 -3.262 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.444 -3.421 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.429 0.340 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.042 -0.531 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.176 0.472 -0.321 1.00 0.00 H new ATOM 904 N ILE A 59 1.149 -5.517 -0.718 1.00 0.00 N ATOM 905 CA ILE A 59 2.021 -6.644 -1.177 1.00 0.00 C ATOM 906 C ILE A 59 1.196 -7.600 -2.039 1.00 0.00 C ATOM 907 O ILE A 59 0.916 -8.717 -1.652 1.00 0.00 O ATOM 908 CB ILE A 59 2.497 -7.361 0.108 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.383 -6.439 0.954 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.292 -8.596 -0.280 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.533 -7.036 2.355 1.00 0.00 C ATOM 0 H ILE A 59 0.164 -5.757 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 59 2.865 -6.296 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 59 1.623 -7.639 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.361 -6.325 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.941 -5.444 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.632 -9.108 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.661 -9.267 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.155 -8.301 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.162 -6.385 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.551 -7.127 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.993 -8.022 2.283 1.00 0.00 H new ATOM 923 N ASP A 60 0.790 -7.166 -3.198 1.00 0.00 N ATOM 924 CA ASP A 60 -0.037 -8.050 -4.076 1.00 0.00 C ATOM 925 C ASP A 60 0.526 -9.470 -4.082 1.00 0.00 C ATOM 926 O ASP A 60 1.646 -9.701 -4.492 1.00 0.00 O ATOM 927 CB ASP A 60 0.070 -7.439 -5.467 1.00 0.00 C ATOM 928 CG ASP A 60 -1.202 -7.732 -6.266 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.607 -8.882 -6.297 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.745 -6.802 -6.840 1.00 0.00 O ATOM 0 H ASP A 60 0.992 -6.241 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.069 -8.115 -3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.221 -6.362 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.938 -7.846 -5.986 1.00 0.00 H new ATOM 935 N VAL A 61 -0.240 -10.426 -3.634 1.00 0.00 N ATOM 936 CA VAL A 61 0.266 -11.830 -3.622 1.00 0.00 C ATOM 937 C VAL A 61 -0.140 -12.561 -4.900 1.00 0.00 C ATOM 938 O VAL A 61 -0.325 -13.762 -4.905 1.00 0.00 O ATOM 939 CB VAL A 61 -0.380 -12.487 -2.400 1.00 0.00 C ATOM 940 CG1 VAL A 61 -1.898 -12.353 -2.490 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.003 -13.971 -2.360 1.00 0.00 C ATOM 0 H VAL A 61 -1.187 -10.299 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 61 1.354 -11.865 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.025 -11.995 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.357 -12.821 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.169 -11.298 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.254 -12.844 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.463 -14.440 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.358 -14.461 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.081 -14.069 -2.295 1.00 0.00 H new ATOM 951 N ASN A 62 -0.269 -11.854 -5.991 1.00 0.00 N ATOM 952 CA ASN A 62 -0.652 -12.532 -7.267 1.00 0.00 C ATOM 953 C ASN A 62 -0.302 -11.683 -8.487 1.00 0.00 C ATOM 954 O ASN A 62 -0.719 -11.977 -9.589 1.00 0.00 O ATOM 955 CB ASN A 62 -2.158 -12.691 -7.190 1.00 0.00 C ATOM 956 CG ASN A 62 -2.567 -14.002 -7.858 1.00 0.00 C ATOM 957 OD1 ASN A 62 -1.975 -15.035 -7.613 1.00 0.00 O ATOM 958 ND2 ASN A 62 -3.561 -14.003 -8.703 1.00 0.00 N ATOM 0 H ASN A 62 -0.128 -10.846 -6.056 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.121 -13.478 -7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.482 -12.684 -6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.649 -11.851 -7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.842 -14.871 -9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.057 -13.136 -8.908 1.00 0.00 H new ATOM 965 N LEU A 63 0.448 -10.638 -8.319 1.00 0.00 N ATOM 966 CA LEU A 63 0.790 -9.800 -9.492 1.00 0.00 C ATOM 967 C LEU A 63 2.289 -9.872 -9.756 1.00 0.00 C ATOM 968 O LEU A 63 3.097 -9.663 -8.873 1.00 0.00 O ATOM 969 CB LEU A 63 0.352 -8.391 -9.105 1.00 0.00 C ATOM 970 CG LEU A 63 -0.242 -7.691 -10.330 1.00 0.00 C ATOM 971 CD1 LEU A 63 -1.609 -8.299 -10.646 1.00 0.00 C ATOM 972 CD2 LEU A 63 -0.409 -6.199 -10.038 1.00 0.00 C ATOM 0 H LEU A 63 0.837 -10.329 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 63 0.300 -10.127 -10.409 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.385 -8.434 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.203 -7.825 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 63 0.426 -7.822 -11.182 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.035 -7.803 -11.518 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.495 -9.363 -10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.273 -8.165 -9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.832 -5.702 -10.911 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.077 -6.067 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.563 -5.762 -9.808 1.00 0.00 H new ATOM 984 N ASP A 64 2.655 -10.181 -10.970 1.00 0.00 N ATOM 985 CA ASP A 64 4.097 -10.291 -11.335 1.00 0.00 C ATOM 986 C ASP A 64 4.681 -11.619 -10.842 1.00 0.00 C ATOM 987 O ASP A 64 5.788 -11.974 -11.196 1.00 0.00 O ATOM 988 CB ASP A 64 4.800 -9.112 -10.657 1.00 0.00 C ATOM 989 CG ASP A 64 5.770 -8.462 -11.645 1.00 0.00 C ATOM 990 OD1 ASP A 64 5.313 -8.003 -12.678 1.00 0.00 O ATOM 991 OD2 ASP A 64 6.954 -8.434 -11.351 1.00 0.00 O ATOM 0 H ASP A 64 2.007 -10.365 -11.736 1.00 0.00 H new ATOM 0 HA ASP A 64 4.232 -10.266 -12.416 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.065 -8.382 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.339 -9.455 -9.774 1.00 0.00 H new ATOM 996 N GLY A 65 3.970 -12.370 -10.035 1.00 0.00 N ATOM 997 CA GLY A 65 4.560 -13.661 -9.572 1.00 0.00 C ATOM 998 C GLY A 65 3.634 -14.351 -8.577 1.00 0.00 C ATOM 999 O GLY A 65 3.530 -15.560 -8.561 1.00 0.00 O ATOM 0 H GLY A 65 3.036 -12.153 -9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.735 -14.314 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.529 -13.478 -9.108 1.00 0.00 H new ATOM 1003 N GLU A 66 2.995 -13.591 -7.732 1.00 0.00 N ATOM 1004 CA GLU A 66 2.086 -14.164 -6.701 1.00 0.00 C ATOM 1005 C GLU A 66 2.879 -14.686 -5.492 1.00 0.00 C ATOM 1006 O GLU A 66 2.451 -15.621 -4.844 1.00 0.00 O ATOM 1007 CB GLU A 66 1.316 -15.313 -7.371 1.00 0.00 C ATOM 1008 CG GLU A 66 0.884 -14.911 -8.787 1.00 0.00 C ATOM 1009 CD GLU A 66 1.336 -15.975 -9.789 1.00 0.00 C ATOM 1010 OE1 GLU A 66 1.384 -17.134 -9.411 1.00 0.00 O ATOM 1011 OE2 GLU A 66 1.626 -15.613 -10.916 1.00 0.00 O ATOM 0 H GLU A 66 3.067 -12.574 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 66 1.405 -13.399 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.943 -16.203 -7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.440 -15.569 -6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.199 -14.797 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.316 -13.945 -9.048 1.00 0.00 H new ATOM 1018 N PRO A 67 4.005 -14.065 -5.206 1.00 0.00 N ATOM 1019 CA PRO A 67 4.814 -14.499 -4.047 1.00 0.00 C ATOM 1020 C PRO A 67 4.165 -14.027 -2.741 1.00 0.00 C ATOM 1021 O PRO A 67 3.495 -14.775 -2.057 1.00 0.00 O ATOM 1022 CB PRO A 67 6.163 -13.813 -4.268 1.00 0.00 C ATOM 1023 CG PRO A 67 5.868 -12.618 -5.120 1.00 0.00 C ATOM 1024 CD PRO A 67 4.626 -12.928 -5.910 1.00 0.00 C ATOM 0 HA PRO A 67 4.905 -15.582 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.613 -13.518 -3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.868 -14.482 -4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.719 -11.733 -4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.704 -12.405 -5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.955 -12.070 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.867 -13.186 -6.941 1.00 0.00 H new ATOM 1032 N SER A 68 4.369 -12.787 -2.397 1.00 0.00 N ATOM 1033 CA SER A 68 3.785 -12.209 -1.135 1.00 0.00 C ATOM 1034 C SER A 68 4.065 -13.058 0.126 1.00 0.00 C ATOM 1035 O SER A 68 3.728 -12.649 1.218 1.00 0.00 O ATOM 1036 CB SER A 68 2.285 -12.141 -1.394 1.00 0.00 C ATOM 1037 OG SER A 68 1.953 -10.832 -1.838 1.00 0.00 O ATOM 0 H SER A 68 4.926 -12.129 -2.943 1.00 0.00 H new ATOM 0 HA SER A 68 4.238 -11.240 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.998 -12.878 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.734 -12.382 -0.485 1.00 0.00 H new ATOM 0 HG SER A 68 1.241 -10.465 -1.273 1.00 0.00 H new ATOM 1043 N TYR A 69 4.675 -14.215 0.006 1.00 0.00 N ATOM 1044 CA TYR A 69 4.959 -15.068 1.205 1.00 0.00 C ATOM 1045 C TYR A 69 3.735 -15.162 2.132 1.00 0.00 C ATOM 1046 O TYR A 69 2.719 -14.511 1.933 1.00 0.00 O ATOM 1047 CB TYR A 69 6.160 -14.452 1.953 1.00 0.00 C ATOM 1048 CG TYR A 69 6.449 -13.038 1.502 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.151 -12.805 0.314 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.026 -11.962 2.287 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.423 -11.491 -0.090 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.300 -10.650 1.887 1.00 0.00 C ATOM 1053 CZ TYR A 69 7.000 -10.413 0.698 1.00 0.00 C ATOM 1054 OH TYR A 69 7.273 -9.120 0.305 1.00 0.00 O ATOM 0 H TYR A 69 4.991 -14.608 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 69 5.191 -16.083 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.960 -14.456 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.043 -15.071 1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.483 -13.636 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.486 -12.144 3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.959 -11.309 -1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.972 -9.820 2.495 1.00 0.00 H new ATOM 0 HH TYR A 69 6.466 -8.572 0.400 1.00 0.00 H new ATOM 1064 N PRO A 70 3.869 -15.999 3.122 1.00 0.00 N ATOM 1065 CA PRO A 70 2.768 -16.207 4.081 1.00 0.00 C ATOM 1066 C PRO A 70 2.610 -15.008 5.015 1.00 0.00 C ATOM 1067 O PRO A 70 1.826 -15.049 5.940 1.00 0.00 O ATOM 1068 CB PRO A 70 3.193 -17.447 4.858 1.00 0.00 C ATOM 1069 CG PRO A 70 4.683 -17.481 4.747 1.00 0.00 C ATOM 1070 CD PRO A 70 5.044 -16.824 3.439 1.00 0.00 C ATOM 0 HA PRO A 70 1.803 -16.324 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.876 -17.388 5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.745 -18.348 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.144 -16.955 5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.048 -18.508 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.945 -16.217 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.236 -17.562 2.660 1.00 0.00 H new ATOM 1078 N VAL A 71 3.325 -13.932 4.801 1.00 0.00 N ATOM 1079 CA VAL A 71 3.133 -12.784 5.720 1.00 0.00 C ATOM 1080 C VAL A 71 2.054 -11.861 5.158 1.00 0.00 C ATOM 1081 O VAL A 71 1.112 -11.525 5.847 1.00 0.00 O ATOM 1082 CB VAL A 71 4.500 -12.091 5.923 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.645 -13.085 5.696 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.676 -10.888 4.982 1.00 0.00 C ATOM 0 H VAL A 71 4.009 -13.805 4.055 1.00 0.00 H new ATOM 0 HA VAL A 71 2.781 -13.103 6.701 1.00 0.00 H new ATOM 0 HB VAL A 71 4.526 -11.729 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.600 -12.580 5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.557 -13.909 6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.593 -13.474 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.649 -10.429 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.613 -11.224 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.890 -10.157 5.175 1.00 0.00 H new ATOM 1094 N ALA A 72 2.112 -11.510 3.901 1.00 0.00 N ATOM 1095 CA ALA A 72 1.007 -10.701 3.345 1.00 0.00 C ATOM 1096 C ALA A 72 -0.234 -11.529 3.584 1.00 0.00 C ATOM 1097 O ALA A 72 -1.295 -11.040 3.915 1.00 0.00 O ATOM 1098 CB ALA A 72 1.299 -10.598 1.858 1.00 0.00 C ATOM 0 H ALA A 72 2.863 -11.746 3.252 1.00 0.00 H new ATOM 0 HA ALA A 72 0.892 -9.706 3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.520 -10.010 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.264 -10.114 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.323 -11.597 1.422 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.059 -12.817 3.461 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.168 -13.754 3.722 1.00 0.00 C ATOM 1106 C ASP A 73 -1.623 -13.570 5.162 1.00 0.00 C ATOM 1107 O ASP A 73 -2.779 -13.337 5.452 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.523 -15.116 3.563 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.571 -15.542 2.095 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.125 -14.771 1.260 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -1.055 -16.629 1.830 1.00 0.00 O ATOM 0 H ASP A 73 0.820 -13.257 3.187 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.030 -13.614 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.510 -15.082 3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.041 -15.849 4.181 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.686 -13.658 6.063 1.00 0.00 N ATOM 1117 CA ILE A 74 -1.002 -13.472 7.504 1.00 0.00 C ATOM 1118 C ILE A 74 -1.618 -12.095 7.680 1.00 0.00 C ATOM 1119 O ILE A 74 -2.641 -11.927 8.311 1.00 0.00 O ATOM 1120 CB ILE A 74 0.352 -13.552 8.222 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.829 -15.015 8.383 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.235 -12.918 9.608 1.00 0.00 C ATOM 1123 CD1 ILE A 74 -0.045 -15.990 7.581 1.00 0.00 C ATOM 0 H ILE A 74 0.294 -13.853 5.860 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.701 -14.212 7.895 1.00 0.00 H new ATOM 0 HB ILE A 74 1.081 -13.016 7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.864 -15.098 8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.808 -15.291 9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.197 -12.976 10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.060 -11.874 9.507 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.516 -13.452 10.190 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.322 -17.007 7.720 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.076 -15.926 7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.003 -15.731 6.523 1.00 0.00 H new ATOM 1135 N LEU A 75 -1.005 -11.109 7.100 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.551 -9.740 7.203 1.00 0.00 C ATOM 1137 C LEU A 75 -3.060 -9.771 6.918 1.00 0.00 C ATOM 1138 O LEU A 75 -3.808 -8.930 7.375 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.791 -8.956 6.133 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.969 -7.462 6.379 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -0.524 -7.136 7.806 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -0.113 -6.678 5.382 1.00 0.00 C ATOM 0 H LEU A 75 -0.146 -11.195 6.557 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.431 -9.292 8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.267 -9.217 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.161 -9.219 5.142 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.016 -7.187 6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.648 -6.069 7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.131 -7.700 8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.524 -7.407 7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.239 -5.609 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.935 -6.946 5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.425 -6.919 4.366 1.00 0.00 H new ATOM 1154 N ALA A 76 -3.509 -10.751 6.175 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.957 -10.864 5.861 1.00 0.00 C ATOM 1156 C ALA A 76 -5.637 -11.827 6.844 1.00 0.00 C ATOM 1157 O ALA A 76 -6.847 -11.907 6.913 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.010 -11.428 4.442 1.00 0.00 C ATOM 0 H ALA A 76 -2.924 -11.483 5.771 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.473 -9.907 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.049 -11.542 4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.502 -10.746 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.516 -12.399 4.418 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.864 -12.568 7.592 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.456 -13.532 8.558 1.00 0.00 C ATOM 1166 C GLU A 77 -5.823 -12.812 9.867 1.00 0.00 C ATOM 1167 O GLU A 77 -6.840 -13.091 10.472 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.363 -14.611 8.747 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.974 -14.790 10.224 1.00 0.00 C ATOM 1170 CD GLU A 77 -3.504 -16.230 10.452 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -3.881 -17.087 9.670 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -2.778 -16.451 11.408 1.00 0.00 O ATOM 0 H GLU A 77 -3.844 -12.545 7.574 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.386 -13.982 8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.720 -15.561 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.480 -14.336 8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.182 -14.090 10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.826 -14.567 10.866 1.00 0.00 H new ATOM 1179 N ARG A 78 -5.008 -11.890 10.306 1.00 0.00 N ATOM 1180 CA ARG A 78 -5.316 -11.160 11.568 1.00 0.00 C ATOM 1181 C ARG A 78 -5.596 -9.683 11.269 1.00 0.00 C ATOM 1182 O ARG A 78 -6.393 -9.047 11.928 1.00 0.00 O ATOM 1183 CB ARG A 78 -4.071 -11.325 12.444 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.864 -10.652 11.783 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.580 -11.165 12.438 1.00 0.00 C ATOM 1186 NE ARG A 78 -1.341 -10.244 13.583 1.00 0.00 N ATOM 1187 CZ ARG A 78 -0.187 -10.248 14.190 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.907 -10.422 13.502 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -0.125 -10.081 15.483 1.00 0.00 N ATOM 0 H ARG A 78 -4.142 -11.611 9.844 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.204 -11.548 12.067 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.248 -10.886 13.426 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.865 -12.384 12.600 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.852 -10.867 10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.933 -9.569 11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.693 -12.195 12.776 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.745 -11.149 11.737 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.079 -9.611 13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.859 -10.554 12.492 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.811 -10.426 13.974 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.981 -9.947 16.022 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.779 -10.085 15.955 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.964 -9.157 10.254 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.176 -7.734 9.838 1.00 0.00 C ATOM 1205 C ASN A 79 -5.327 -6.767 11.025 1.00 0.00 C ATOM 1206 O ASN A 79 -6.309 -6.771 11.741 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.450 -7.720 8.979 1.00 0.00 C ATOM 1208 CG ASN A 79 -7.266 -9.003 9.159 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -7.952 -9.167 10.148 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -7.204 -9.929 8.244 1.00 0.00 N ATOM 0 H ASN A 79 -4.292 -9.665 9.680 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.300 -7.386 9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.061 -6.859 9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.180 -7.604 7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.732 -10.794 8.357 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.627 -9.789 7.415 1.00 0.00 H new ATOM 1217 N VAL A 80 -4.359 -5.907 11.191 1.00 0.00 N ATOM 1218 CA VAL A 80 -4.399 -4.881 12.277 1.00 0.00 C ATOM 1219 C VAL A 80 -4.569 -3.500 11.587 1.00 0.00 C ATOM 1220 O VAL A 80 -5.329 -3.426 10.643 1.00 0.00 O ATOM 1221 CB VAL A 80 -3.051 -5.085 12.983 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.998 -6.510 13.532 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.907 -4.896 11.981 1.00 0.00 C ATOM 0 H VAL A 80 -3.523 -5.871 10.607 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.210 -4.952 13.002 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.947 -4.361 13.791 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.045 -6.670 14.037 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.813 -6.658 14.240 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.098 -7.220 12.711 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.953 -5.042 12.487 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.005 -5.623 11.175 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.948 -3.888 11.567 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.889 -2.445 12.016 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.043 -1.152 11.302 1.00 0.00 C ATOM 1235 C PRO A 81 -3.126 -1.141 10.069 1.00 0.00 C ATOM 1236 O PRO A 81 -1.926 -1.281 10.188 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.594 -0.114 12.319 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.671 -0.838 13.250 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.974 -2.317 13.159 1.00 0.00 C ATOM 0 HA PRO A 81 -5.057 -0.968 10.948 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.086 0.718 11.832 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.446 0.303 12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.632 -0.645 12.982 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.807 -0.484 14.272 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.065 -2.898 13.004 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.434 -2.683 14.077 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.685 -0.987 8.893 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.862 -0.987 7.642 1.00 0.00 C ATOM 1249 C PHE A 82 -3.795 -1.002 6.434 1.00 0.00 C ATOM 1250 O PHE A 82 -4.915 -0.534 6.478 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.091 -2.319 7.653 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.077 -3.446 7.416 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.975 -3.779 8.423 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -3.117 -4.127 6.188 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.923 -4.794 8.223 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -4.061 -5.148 5.986 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.963 -5.477 7.003 1.00 0.00 C ATOM 0 H PHE A 82 -4.686 -0.860 8.745 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.207 -0.118 7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.323 -2.319 6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.582 -2.455 8.608 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.943 -3.253 9.366 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.424 -3.867 5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.620 -5.047 9.009 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.090 -5.679 5.046 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.691 -6.259 6.846 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.338 -1.605 5.379 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.163 -1.756 4.163 1.00 0.00 C ATOM 1269 C ILE A 83 -3.458 -2.747 3.249 1.00 0.00 C ATOM 1270 O ILE A 83 -2.262 -2.927 3.348 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.272 -0.360 3.567 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.718 0.111 3.702 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.867 -0.362 2.085 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.815 1.594 3.350 1.00 0.00 C ATOM 0 H ILE A 83 -2.404 -2.008 5.310 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.166 -2.144 4.342 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.599 0.311 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.363 -0.471 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.070 -0.054 4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.954 0.647 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.836 -0.703 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.523 -1.032 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.849 1.924 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.184 2.171 4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.481 1.747 2.324 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.182 -3.413 2.394 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.520 -4.419 1.513 1.00 0.00 C ATOM 1288 C PHE A 84 -4.331 -4.694 0.248 1.00 0.00 C ATOM 1289 O PHE A 84 -5.494 -4.346 0.128 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.460 -5.680 2.373 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.688 -6.774 1.655 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.440 -6.499 1.087 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -3.224 -8.069 1.548 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.745 -7.508 0.418 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -2.510 -9.073 0.876 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.271 -8.784 0.310 1.00 0.00 C ATOM 0 H PHE A 84 -5.189 -3.308 2.266 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.544 -4.073 1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.983 -5.455 3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.470 -6.025 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.015 -5.509 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.187 -8.292 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.217 -7.290 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.921 -10.069 0.798 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.722 -9.554 -0.212 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.720 -5.349 -0.692 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.434 -5.692 -1.938 1.00 0.00 C ATOM 1308 C ALA A 85 -3.922 -7.035 -2.459 1.00 0.00 C ATOM 1309 O ALA A 85 -2.876 -7.502 -2.054 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.107 -4.584 -2.930 1.00 0.00 C ATOM 0 H ALA A 85 -2.750 -5.662 -0.647 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.510 -5.777 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.610 -4.783 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.447 -3.628 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.030 -4.547 -3.092 1.00 0.00 H new ATOM 1316 N THR A 86 -4.636 -7.665 -3.348 1.00 0.00 N ATOM 1317 CA THR A 86 -4.152 -8.977 -3.868 1.00 0.00 C ATOM 1318 C THR A 86 -5.013 -9.470 -5.030 1.00 0.00 C ATOM 1319 O THR A 86 -5.994 -8.858 -5.405 1.00 0.00 O ATOM 1320 CB THR A 86 -4.271 -9.941 -2.690 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.104 -11.270 -3.156 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.651 -9.802 -2.060 1.00 0.00 C ATOM 0 H THR A 86 -5.521 -7.336 -3.734 1.00 0.00 H new ATOM 0 HA THR A 86 -3.133 -8.898 -4.247 1.00 0.00 H new ATOM 0 HB THR A 86 -3.505 -9.710 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.826 -11.833 -2.806 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.738 -10.490 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.789 -8.779 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.415 -10.037 -2.801 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.634 -10.579 -5.601 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.397 -11.146 -6.746 1.00 0.00 C ATOM 1332 C GLY A 87 -6.858 -11.394 -6.356 1.00 0.00 C ATOM 1333 O GLY A 87 -7.757 -11.129 -7.129 1.00 0.00 O ATOM 0 H GLY A 87 -3.818 -11.123 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.353 -10.461 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.938 -12.081 -7.068 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.119 -11.913 -5.182 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.543 -12.171 -4.812 1.00 0.00 C ATOM 1339 C TYR A 88 -9.241 -10.874 -4.392 1.00 0.00 C ATOM 1340 O TYR A 88 -10.452 -10.816 -4.311 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.524 -13.205 -3.677 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.694 -12.727 -2.509 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.241 -11.835 -1.580 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -6.388 -13.203 -2.339 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -7.481 -11.416 -0.482 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -5.627 -12.781 -1.243 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.175 -11.889 -0.313 1.00 0.00 C ATOM 1348 OH TYR A 88 -5.426 -11.475 0.769 1.00 0.00 O ATOM 0 H TYR A 88 -6.425 -12.164 -4.478 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.109 -12.555 -5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.543 -13.401 -3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.123 -14.148 -4.049 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.249 -11.470 -1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.968 -13.896 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.903 -10.727 0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.618 -13.143 -1.115 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.543 -11.898 0.737 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.501 -9.821 -4.157 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.148 -8.533 -3.786 1.00 0.00 C ATOM 1360 C GLY A 89 -9.594 -8.547 -2.321 1.00 0.00 C ATOM 1361 O GLY A 89 -10.765 -8.417 -2.021 1.00 0.00 O ATOM 0 H GLY A 89 -7.482 -9.800 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.451 -7.711 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.009 -8.355 -4.431 1.00 0.00 H new ATOM 1365 N SER A 90 -8.672 -8.683 -1.409 1.00 0.00 N ATOM 1366 CA SER A 90 -9.032 -8.686 0.041 1.00 0.00 C ATOM 1367 C SER A 90 -10.045 -9.794 0.355 1.00 0.00 C ATOM 1368 O SER A 90 -11.056 -9.934 -0.303 1.00 0.00 O ATOM 1369 CB SER A 90 -9.643 -7.309 0.296 1.00 0.00 C ATOM 1370 OG SER A 90 -8.607 -6.336 0.339 1.00 0.00 O ATOM 0 H SER A 90 -7.677 -8.793 -1.605 1.00 0.00 H new ATOM 0 HA SER A 90 -8.166 -8.877 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.356 -7.063 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.195 -7.312 1.236 1.00 0.00 H new ATOM 0 HG SER A 90 -8.075 -6.460 1.153 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.780 -10.578 1.366 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.715 -11.669 1.737 1.00 0.00 C ATOM 1378 C LYS A 91 -11.483 -11.287 3.003 1.00 0.00 C ATOM 1379 O LYS A 91 -11.576 -12.055 3.941 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.823 -12.880 2.003 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.824 -12.544 3.112 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.661 -13.752 4.036 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.726 -13.294 5.497 1.00 0.00 C ATOM 1384 NZ LYS A 91 -9.967 -13.917 6.038 1.00 0.00 N ATOM 0 H LYS A 91 -8.949 -10.505 1.952 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.452 -11.868 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.431 -13.736 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.292 -13.161 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.862 -12.272 2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.173 -11.682 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.445 -14.482 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.709 -14.246 3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.846 -13.619 6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.765 -12.207 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.047 -13.706 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.794 -13.533 5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.927 -14.947 5.900 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.024 -10.102 3.043 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.772 -9.667 4.255 1.00 0.00 C ATOM 1400 C GLY A 92 -11.866 -8.787 5.121 1.00 0.00 C ATOM 1401 O GLY A 92 -12.307 -8.210 6.095 1.00 0.00 O ATOM 0 H GLY A 92 -11.981 -9.416 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.666 -9.114 3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.104 -10.536 4.823 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.606 -8.693 4.755 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.611 -7.859 5.510 1.00 0.00 C ATOM 1407 C LEU A 93 -10.296 -6.860 6.451 1.00 0.00 C ATOM 1408 O LEU A 93 -11.060 -6.015 6.027 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.845 -7.122 4.412 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.685 -6.338 5.023 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.613 -6.104 3.956 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.201 -4.991 5.530 1.00 0.00 C ATOM 0 H LEU A 93 -10.217 -9.172 3.943 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.971 -8.467 6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.467 -7.835 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.514 -6.444 3.882 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.256 -6.902 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.784 -5.545 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.250 -7.064 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.040 -5.537 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.377 -4.427 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.626 -4.428 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.969 -5.157 6.286 1.00 0.00 H new ATOM 1424 N ASP A 94 -10.024 -6.952 7.725 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.653 -6.006 8.698 1.00 0.00 C ATOM 1426 C ASP A 94 -9.594 -5.059 9.262 1.00 0.00 C ATOM 1427 O ASP A 94 -8.505 -5.470 9.603 1.00 0.00 O ATOM 1428 CB ASP A 94 -11.239 -6.885 9.804 1.00 0.00 C ATOM 1429 CG ASP A 94 -10.234 -7.972 10.185 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -10.154 -8.954 9.465 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.562 -7.804 11.190 1.00 0.00 O ATOM 0 H ASP A 94 -9.394 -7.641 8.136 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.421 -5.388 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.480 -6.277 10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.170 -7.340 9.466 1.00 0.00 H new ATOM 1436 N THR A 95 -9.893 -3.797 9.370 1.00 0.00 N ATOM 1437 CA THR A 95 -8.878 -2.856 9.915 1.00 0.00 C ATOM 1438 C THR A 95 -9.527 -1.536 10.315 1.00 0.00 C ATOM 1439 O THR A 95 -10.644 -1.238 9.940 1.00 0.00 O ATOM 1440 CB THR A 95 -7.892 -2.639 8.763 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.834 -1.789 9.185 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.619 -2.007 7.574 1.00 0.00 C ATOM 0 H THR A 95 -10.786 -3.379 9.108 1.00 0.00 H new ATOM 0 HA THR A 95 -8.393 -3.248 10.809 1.00 0.00 H new ATOM 0 HB THR A 95 -7.478 -3.601 8.462 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.336 -2.222 9.910 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.915 -1.854 6.756 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.420 -2.668 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.041 -1.048 7.874 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.820 -0.732 11.059 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.371 0.587 11.472 1.00 0.00 C ATOM 1452 C ARG A 96 -9.420 1.527 10.263 1.00 0.00 C ATOM 1453 O ARG A 96 -9.808 2.674 10.371 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.388 1.113 12.520 1.00 0.00 C ATOM 1455 CG ARG A 96 -8.707 0.491 13.884 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.614 -0.511 14.264 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.686 -0.615 15.750 1.00 0.00 N ATOM 1458 CZ ARG A 96 -8.817 -0.921 16.330 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -9.504 -1.949 15.919 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -9.257 -0.200 17.325 1.00 0.00 N ATOM 0 H ARG A 96 -7.880 -0.933 11.400 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.384 0.514 11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.366 0.870 12.229 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.453 2.199 12.581 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.778 1.271 14.642 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.675 -0.009 13.849 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.784 -1.479 13.792 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.632 -0.166 13.940 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.853 -0.447 16.314 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.160 -2.516 15.144 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.386 -2.187 16.372 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.718 0.603 17.650 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.139 -0.439 17.777 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.015 1.053 9.113 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.024 1.916 7.901 1.00 0.00 C ATOM 1476 C TYR A 97 -10.419 1.945 7.262 1.00 0.00 C ATOM 1477 O TYR A 97 -10.646 2.619 6.276 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.989 1.269 6.988 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.621 1.595 7.525 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.215 1.076 8.760 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -5.768 2.434 6.802 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.952 1.393 9.270 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.507 2.755 7.313 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.098 2.234 8.547 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.855 2.552 9.051 1.00 0.00 O ATOM 0 H TYR A 97 -8.678 0.102 8.964 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.787 2.959 8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.136 0.190 6.951 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.096 1.640 5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.877 0.431 9.319 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.083 2.834 5.849 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.636 0.989 10.221 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.848 3.405 6.756 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.232 2.710 8.311 1.00 0.00 H new ATOM 1495 N SER A 98 -11.363 1.242 7.834 1.00 0.00 N ATOM 1496 CA SER A 98 -12.756 1.251 7.285 1.00 0.00 C ATOM 1497 C SER A 98 -12.853 0.496 5.955 1.00 0.00 C ATOM 1498 O SER A 98 -13.697 0.798 5.140 1.00 0.00 O ATOM 1499 CB SER A 98 -13.089 2.730 7.076 1.00 0.00 C ATOM 1500 OG SER A 98 -12.489 3.497 8.113 1.00 0.00 O ATOM 0 H SER A 98 -11.230 0.660 8.661 1.00 0.00 H new ATOM 0 HA SER A 98 -13.448 0.753 7.964 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.725 3.063 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.169 2.876 7.079 1.00 0.00 H new ATOM 0 HG SER A 98 -12.699 4.445 7.982 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.019 -0.488 5.732 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.099 -1.254 4.448 1.00 0.00 C ATOM 1508 C ASN A 99 -12.319 -0.299 3.268 1.00 0.00 C ATOM 1509 O ASN A 99 -13.422 0.128 2.993 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.299 -2.183 4.628 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.838 -3.497 5.262 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.518 -4.500 5.173 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.703 -3.534 5.907 1.00 0.00 N ATOM 0 H ASN A 99 -11.291 -0.794 6.377 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.183 -1.805 4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.050 -1.707 5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.769 -2.378 3.664 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.388 -4.404 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.131 -2.693 5.982 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.275 0.037 2.565 1.00 0.00 N ATOM 1521 CA ILE A 100 -11.424 0.970 1.407 1.00 0.00 C ATOM 1522 C ILE A 100 -10.443 0.555 0.267 1.00 0.00 C ATOM 1523 O ILE A 100 -10.784 -0.352 -0.465 1.00 0.00 O ATOM 1524 CB ILE A 100 -11.233 2.406 1.976 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -11.038 2.389 3.511 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -12.488 3.226 1.667 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -9.736 1.667 3.895 1.00 0.00 C ATOM 0 H ILE A 100 -10.325 -0.292 2.739 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.406 0.933 0.935 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.345 2.839 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.016 3.411 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.886 1.892 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.369 4.236 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.636 3.272 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.354 2.755 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.624 1.670 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.771 0.638 3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.888 2.180 3.442 1.00 0.00 H new ATOM 1539 N PRO A 101 -9.262 1.155 0.106 1.00 0.00 N ATOM 1540 CA PRO A 101 -8.362 0.687 -0.990 1.00 0.00 C ATOM 1541 C PRO A 101 -7.826 -0.704 -0.708 1.00 0.00 C ATOM 1542 O PRO A 101 -6.630 -0.902 -0.629 1.00 0.00 O ATOM 1543 CB PRO A 101 -7.206 1.657 -0.953 1.00 0.00 C ATOM 1544 CG PRO A 101 -7.194 2.174 0.439 1.00 0.00 C ATOM 1545 CD PRO A 101 -8.631 2.271 0.838 1.00 0.00 C ATOM 0 HA PRO A 101 -8.885 0.647 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.266 1.163 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.342 2.463 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.646 1.504 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.705 3.146 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.757 2.168 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.063 3.232 0.557 1.00 0.00 H new ATOM 1553 N LEU A 102 -8.664 -1.673 -0.546 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.115 -3.014 -0.263 1.00 0.00 C ATOM 1555 C LEU A 102 -8.709 -4.055 -1.195 1.00 0.00 C ATOM 1556 O LEU A 102 -9.867 -4.407 -1.104 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.458 -3.291 1.196 1.00 0.00 C ATOM 1558 CG LEU A 102 -7.658 -2.325 2.069 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.311 -0.943 2.027 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -7.628 -2.833 3.508 1.00 0.00 C ATOM 0 H LEU A 102 -9.680 -1.602 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.039 -3.059 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.527 -3.160 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.218 -4.323 1.453 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.638 -2.258 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.742 -0.253 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.325 -0.578 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.332 -1.012 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.056 -2.141 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.646 -2.905 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.160 -3.817 3.537 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.892 -4.545 -2.083 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.327 -5.578 -3.068 1.00 0.00 C ATOM 1574 C LEU A 103 -7.373 -5.560 -4.267 1.00 0.00 C ATOM 1575 O LEU A 103 -6.293 -5.011 -4.199 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.745 -5.200 -3.520 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.834 -3.696 -3.799 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -9.899 -3.463 -5.309 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -11.101 -3.133 -3.149 1.00 0.00 C ATOM 0 H LEU A 103 -6.915 -4.266 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.317 -6.576 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.008 -5.759 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.465 -5.477 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.957 -3.197 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.962 -2.394 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.002 -3.868 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.779 -3.961 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.166 -2.063 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.976 -3.633 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.064 -3.302 -2.073 1.00 0.00 H new ATOM 1591 N THR A 104 -7.762 -6.144 -5.367 1.00 0.00 N ATOM 1592 CA THR A 104 -6.870 -6.142 -6.562 1.00 0.00 C ATOM 1593 C THR A 104 -6.631 -4.705 -7.037 1.00 0.00 C ATOM 1594 O THR A 104 -7.561 -3.952 -7.250 1.00 0.00 O ATOM 1595 CB THR A 104 -7.625 -6.945 -7.624 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.767 -7.186 -8.729 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.850 -6.159 -8.090 1.00 0.00 C ATOM 0 H THR A 104 -8.655 -6.621 -5.490 1.00 0.00 H new ATOM 0 HA THR A 104 -5.891 -6.573 -6.350 1.00 0.00 H new ATOM 0 HB THR A 104 -7.949 -7.895 -7.198 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.248 -7.702 -9.410 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.385 -6.734 -8.846 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.508 -5.974 -7.241 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.531 -5.207 -8.516 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.394 -4.313 -7.197 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.109 -2.919 -7.648 1.00 0.00 C ATOM 1607 C LYS A 105 -4.697 -2.899 -9.123 1.00 0.00 C ATOM 1608 O LYS A 105 -3.576 -3.224 -9.460 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.952 -2.454 -6.760 1.00 0.00 C ATOM 1610 CG LYS A 105 -3.247 -1.256 -7.404 1.00 0.00 C ATOM 1611 CD LYS A 105 -2.323 -0.600 -6.378 1.00 0.00 C ATOM 1612 CE LYS A 105 -3.039 0.590 -5.741 1.00 0.00 C ATOM 1613 NZ LYS A 105 -1.959 1.382 -5.092 1.00 0.00 N ATOM 0 H LYS A 105 -4.572 -4.895 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.983 -2.273 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.327 -2.179 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.243 -3.269 -6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.673 -1.581 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.983 -0.535 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.041 -1.322 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.402 -0.270 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.567 1.181 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.781 0.262 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.314 1.792 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.149 0.762 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.658 2.146 -5.730 1.00 0.00 H new ATOM 1627 N PRO A 106 -5.621 -2.499 -9.952 1.00 0.00 N ATOM 1628 CA PRO A 106 -5.351 -2.410 -11.404 1.00 0.00 C ATOM 1629 C PRO A 106 -4.575 -1.126 -11.727 1.00 0.00 C ATOM 1630 O PRO A 106 -3.360 -1.110 -11.735 1.00 0.00 O ATOM 1631 CB PRO A 106 -6.745 -2.380 -12.022 1.00 0.00 C ATOM 1632 CG PRO A 106 -7.648 -1.843 -10.953 1.00 0.00 C ATOM 1633 CD PRO A 106 -6.995 -2.107 -9.618 1.00 0.00 C ATOM 0 HA PRO A 106 -4.742 -3.231 -11.781 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.767 -1.746 -12.909 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.057 -3.377 -12.334 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.812 -0.774 -11.093 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.625 -2.324 -11.002 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.012 -1.219 -8.986 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.512 -2.897 -9.073 1.00 0.00 H new ATOM 1641 N PHE A 107 -5.267 -0.050 -11.992 1.00 0.00 N ATOM 1642 CA PHE A 107 -4.568 1.231 -12.315 1.00 0.00 C ATOM 1643 C PHE A 107 -5.591 2.337 -12.584 1.00 0.00 C ATOM 1644 O PHE A 107 -6.700 2.074 -13.004 1.00 0.00 O ATOM 1645 CB PHE A 107 -3.767 0.936 -13.582 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.383 1.531 -13.460 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -2.219 2.919 -13.371 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.262 0.692 -13.440 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -0.935 3.468 -13.260 1.00 0.00 C ATOM 1650 CE2 PHE A 107 0.022 1.241 -13.329 1.00 0.00 C ATOM 1651 CZ PHE A 107 0.186 2.629 -13.239 1.00 0.00 C ATOM 0 H PHE A 107 -6.286 -0.001 -11.999 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.933 1.571 -11.497 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.698 -0.141 -13.738 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.277 1.352 -14.451 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.083 3.567 -13.388 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.387 -0.378 -13.510 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.810 4.538 -13.191 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.886 0.593 -13.313 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.176 3.052 -13.153 1.00 0.00 H new ATOM 1661 N LEU A 108 -5.230 3.572 -12.349 1.00 0.00 N ATOM 1662 CA LEU A 108 -6.190 4.686 -12.595 1.00 0.00 C ATOM 1663 C LEU A 108 -7.422 4.483 -11.705 1.00 0.00 C ATOM 1664 O LEU A 108 -7.537 5.071 -10.639 1.00 0.00 O ATOM 1665 CB LEU A 108 -6.552 4.591 -14.088 1.00 0.00 C ATOM 1666 CG LEU A 108 -5.299 4.289 -14.922 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -5.710 3.627 -16.236 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -4.557 5.592 -15.220 1.00 0.00 C ATOM 0 H LEU A 108 -4.315 3.855 -11.999 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.778 5.668 -12.361 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.295 3.808 -14.240 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.002 5.527 -14.420 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.645 3.618 -14.364 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.821 3.412 -16.829 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.239 2.698 -16.025 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.364 4.298 -16.793 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.667 5.377 -15.812 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.210 6.263 -15.777 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.263 6.066 -14.283 1.00 0.00 H new ATOM 1680 N ASP A 109 -8.320 3.616 -12.105 1.00 0.00 N ATOM 1681 CA ASP A 109 -9.513 3.334 -11.264 1.00 0.00 C ATOM 1682 C ASP A 109 -9.040 2.926 -9.868 1.00 0.00 C ATOM 1683 O ASP A 109 -9.784 2.944 -8.912 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.218 2.165 -11.956 1.00 0.00 C ATOM 1685 CG ASP A 109 -11.715 2.209 -11.643 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -12.133 3.135 -10.967 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -12.418 1.316 -12.086 1.00 0.00 O ATOM 0 H ASP A 109 -8.274 3.093 -12.980 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.177 4.192 -11.157 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.060 2.218 -13.033 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.793 1.220 -11.618 1.00 0.00 H new ATOM 1692 N SER A 110 -7.793 2.557 -9.761 1.00 0.00 N ATOM 1693 CA SER A 110 -7.223 2.148 -8.453 1.00 0.00 C ATOM 1694 C SER A 110 -6.705 3.372 -7.704 1.00 0.00 C ATOM 1695 O SER A 110 -6.976 3.560 -6.536 1.00 0.00 O ATOM 1696 CB SER A 110 -6.056 1.253 -8.831 1.00 0.00 C ATOM 1697 OG SER A 110 -5.939 0.201 -7.884 1.00 0.00 O ATOM 0 H SER A 110 -7.136 2.522 -10.541 1.00 0.00 H new ATOM 0 HA SER A 110 -7.952 1.656 -7.809 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.207 0.843 -9.829 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.134 1.833 -8.861 1.00 0.00 H new ATOM 0 HG SER A 110 -6.551 0.364 -7.136 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.952 4.202 -8.378 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.402 5.418 -7.719 1.00 0.00 C ATOM 1705 C GLU A 111 -6.458 6.028 -6.804 1.00 0.00 C ATOM 1706 O GLU A 111 -6.160 6.512 -5.725 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.067 6.375 -8.864 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.148 7.483 -8.346 1.00 0.00 C ATOM 1709 CD GLU A 111 -2.878 6.863 -7.763 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.015 6.484 -8.539 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -2.788 6.777 -6.549 1.00 0.00 O ATOM 0 H GLU A 111 -5.695 4.088 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.527 5.201 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.581 5.833 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.981 6.806 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.893 8.166 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.662 8.069 -7.584 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.695 6.002 -7.214 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.751 6.590 -6.332 1.00 0.00 C ATOM 1720 C LEU A 112 -8.850 5.807 -5.021 1.00 0.00 C ATOM 1721 O LEU A 112 -8.512 6.307 -3.968 1.00 0.00 O ATOM 1722 CB LEU A 112 -10.082 6.525 -7.091 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.219 5.217 -7.864 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -11.476 4.481 -7.396 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -10.345 5.530 -9.352 1.00 0.00 C ATOM 0 H LEU A 112 -8.019 5.610 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.504 7.622 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.909 6.622 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.150 7.366 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.343 4.592 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.576 3.546 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.397 4.268 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.351 5.105 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.443 4.600 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -11.226 6.150 -9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.456 6.064 -9.688 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.327 4.593 -5.069 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.465 3.800 -3.818 1.00 0.00 C ATOM 1739 C GLU A 113 -8.252 3.996 -2.901 1.00 0.00 C ATOM 1740 O GLU A 113 -8.393 4.334 -1.740 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.594 2.324 -4.250 1.00 0.00 C ATOM 1742 CG GLU A 113 -8.676 1.997 -5.438 1.00 0.00 C ATOM 1743 CD GLU A 113 -8.870 0.532 -5.835 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -9.927 -0.005 -5.546 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -7.957 -0.028 -6.420 1.00 0.00 O ATOM 0 H GLU A 113 -9.626 4.118 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.337 4.122 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.346 1.676 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.629 2.113 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -8.906 2.648 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.635 2.179 -5.170 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.063 3.772 -3.395 1.00 0.00 N ATOM 1753 CA ALA A 114 -5.854 3.923 -2.532 1.00 0.00 C ATOM 1754 C ALA A 114 -5.946 5.183 -1.676 1.00 0.00 C ATOM 1755 O ALA A 114 -5.618 5.167 -0.507 1.00 0.00 O ATOM 1756 CB ALA A 114 -4.680 3.999 -3.492 1.00 0.00 C ATOM 0 H ALA A 114 -6.876 3.491 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.750 3.091 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.755 4.111 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.635 3.085 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.806 4.855 -4.154 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.381 6.276 -2.237 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.476 7.523 -1.425 1.00 0.00 C ATOM 1764 C VAL A 115 -7.840 7.619 -0.734 1.00 0.00 C ATOM 1765 O VAL A 115 -7.948 8.114 0.369 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.288 8.666 -2.427 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -5.979 9.963 -1.676 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.123 8.337 -3.363 1.00 0.00 C ATOM 0 H VAL A 115 -6.672 6.362 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.729 7.552 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.202 8.790 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.846 10.775 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.805 10.201 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.065 9.838 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.989 9.150 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.211 8.212 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.338 7.414 -3.901 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.878 7.142 -1.365 1.00 0.00 N ATOM 1779 CA LEU A 116 -10.234 7.200 -0.738 1.00 0.00 C ATOM 1780 C LEU A 116 -10.149 6.840 0.750 1.00 0.00 C ATOM 1781 O LEU A 116 -10.943 7.272 1.562 1.00 0.00 O ATOM 1782 CB LEU A 116 -11.039 6.142 -1.484 1.00 0.00 C ATOM 1783 CG LEU A 116 -11.884 6.797 -2.577 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -13.106 7.476 -1.955 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.053 7.845 -3.326 1.00 0.00 C ATOM 0 H LEU A 116 -8.848 6.713 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.680 8.193 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.366 5.407 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.684 5.606 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.211 6.026 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.703 7.940 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.708 6.733 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -12.778 8.239 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.663 8.306 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.717 8.610 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.187 7.365 -3.782 1.00 0.00 H new