USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 668 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 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.03 K(o=-1,f=-2!) USER MOD Single : A 64 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.6!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= -0.0369 (180deg=-0.282) USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= -0.12 (180deg=-0.524) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-4.3!) USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00524) USER MOD Single : A 97 CYS SG : rot -83:sc= -0.0761 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 0:sc= -1.07 USER MOD Single : A 103 CYS SG : rot 94:sc= 0.0527 USER MOD Single : A 107 SER OG : rot -57:sc= 0.875 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -6.2! C(o=-6.2!,f=-14!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.3! C(o=-1.3!,f=-4.9!) USER MOD Single : A 118 GLN : amide:sc= -3.26! C(o=-3.3!,f=-2.9!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.0529 USER MOD Single : A 124 MET CE :methyl -116:sc= -1.24 (180deg=-1.79) USER MOD Single : A 125 ASN : amide:sc= -0.853 K(o=-0.85,f=-1.5!) USER MOD Single : A 129 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.9!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 1.904 10.463 -3.556 1.00 0.00 N ATOM 157 CA ILE A 54 3.090 9.668 -3.850 1.00 0.00 C ATOM 158 C ILE A 54 2.711 8.259 -4.293 1.00 0.00 C ATOM 159 O ILE A 54 2.048 7.523 -3.562 1.00 0.00 O ATOM 160 CB ILE A 54 4.023 9.576 -2.628 1.00 0.00 C ATOM 161 CG1 ILE A 54 4.755 10.903 -2.417 1.00 0.00 C ATOM 162 CG2 ILE A 54 5.018 8.439 -2.806 1.00 0.00 C ATOM 163 CD1 ILE A 54 5.595 10.936 -1.159 1.00 0.00 C ATOM 0 HA ILE A 54 3.615 10.173 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 54 3.420 9.370 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.396 11.096 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.023 11.710 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.670 8.387 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.479 7.497 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.618 8.617 -3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.085 11.906 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.956 10.775 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.350 10.151 -1.205 1.00 0.00 H new ATOM 175 N LYS A 55 3.139 7.888 -5.495 1.00 0.00 N ATOM 176 CA LYS A 55 2.848 6.566 -6.037 1.00 0.00 C ATOM 177 C LYS A 55 3.851 5.536 -5.527 1.00 0.00 C ATOM 178 O LYS A 55 4.912 5.341 -6.122 1.00 0.00 O ATOM 179 CB LYS A 55 2.871 6.602 -7.567 1.00 0.00 C ATOM 180 CG LYS A 55 2.460 5.290 -8.213 1.00 0.00 C ATOM 181 CD LYS A 55 2.023 5.492 -9.654 1.00 0.00 C ATOM 182 CE LYS A 55 3.215 5.723 -10.570 1.00 0.00 C ATOM 183 NZ LYS A 55 2.830 5.658 -12.007 1.00 0.00 N ATOM 0 H LYS A 55 3.689 8.485 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 55 1.852 6.275 -5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.205 7.392 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.875 6.863 -7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.295 4.590 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.645 4.842 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.466 4.618 -9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.346 6.344 -9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.655 6.697 -10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.981 4.975 -10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.669 5.820 -12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.434 4.720 -12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.118 6.388 -12.209 1.00 0.00 H new ATOM 197 N LEU A 56 3.510 4.879 -4.424 1.00 0.00 N ATOM 198 CA LEU A 56 4.380 3.868 -3.835 1.00 0.00 C ATOM 199 C LEU A 56 4.348 2.579 -4.650 1.00 0.00 C ATOM 200 O LEU A 56 3.309 1.928 -4.761 1.00 0.00 O ATOM 201 CB LEU A 56 3.960 3.582 -2.392 1.00 0.00 C ATOM 202 CG LEU A 56 4.330 4.650 -1.361 1.00 0.00 C ATOM 203 CD1 LEU A 56 4.056 4.148 0.048 1.00 0.00 C ATOM 204 CD2 LEU A 56 5.789 5.053 -1.512 1.00 0.00 C ATOM 0 H LEU A 56 2.636 5.029 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 56 5.399 4.255 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.879 3.443 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.409 2.638 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 56 3.711 5.530 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.325 4.921 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.997 3.910 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.649 3.253 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.035 5.813 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.425 4.181 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.954 5.454 -2.512 1.00 0.00 H new ATOM 216 N PHE A 57 5.493 2.216 -5.219 1.00 0.00 N ATOM 217 CA PHE A 57 5.596 1.004 -6.023 1.00 0.00 C ATOM 218 C PHE A 57 5.939 -0.200 -5.151 1.00 0.00 C ATOM 219 O PHE A 57 6.919 -0.181 -4.406 1.00 0.00 O ATOM 220 CB PHE A 57 6.656 1.178 -7.112 1.00 0.00 C ATOM 221 CG PHE A 57 7.201 -0.122 -7.632 1.00 0.00 C ATOM 222 CD1 PHE A 57 8.262 -0.746 -6.997 1.00 0.00 C ATOM 223 CD2 PHE A 57 6.651 -0.719 -8.755 1.00 0.00 C ATOM 224 CE1 PHE A 57 8.766 -1.942 -7.474 1.00 0.00 C ATOM 225 CE2 PHE A 57 7.150 -1.915 -9.236 1.00 0.00 C ATOM 226 CZ PHE A 57 8.208 -2.527 -8.594 1.00 0.00 C ATOM 0 H PHE A 57 6.362 2.744 -5.138 1.00 0.00 H new ATOM 0 HA PHE A 57 4.628 0.826 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.225 1.739 -7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.478 1.775 -6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.700 -0.294 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.823 -0.244 -9.260 1.00 0.00 H new ATOM 0 HE1 PHE A 57 9.595 -2.418 -6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.713 -2.370 -10.113 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.599 -3.462 -8.967 1.00 0.00 H new ATOM 236 N ILE A 58 5.125 -1.246 -5.250 1.00 0.00 N ATOM 237 CA ILE A 58 5.343 -2.459 -4.472 1.00 0.00 C ATOM 238 C ILE A 58 5.771 -3.617 -5.366 1.00 0.00 C ATOM 239 O ILE A 58 5.192 -3.841 -6.429 1.00 0.00 O ATOM 240 CB ILE A 58 4.075 -2.865 -3.696 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.419 -1.634 -3.068 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.415 -3.894 -2.629 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.266 -0.976 -2.001 1.00 0.00 C ATOM 0 H ILE A 58 4.309 -1.278 -5.861 1.00 0.00 H new ATOM 0 HA ILE A 58 6.140 -2.239 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 58 3.367 -3.314 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.206 -0.906 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.462 -1.924 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.510 -4.171 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.842 -4.779 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.138 -3.470 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.738 -0.111 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.458 -1.688 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.213 -0.655 -2.435 1.00 0.00 H new ATOM 255 N GLY A 59 6.788 -4.353 -4.928 1.00 0.00 N ATOM 256 CA GLY A 59 7.275 -5.481 -5.700 1.00 0.00 C ATOM 257 C GLY A 59 7.534 -6.703 -4.841 1.00 0.00 C ATOM 258 O GLY A 59 7.459 -6.634 -3.614 1.00 0.00 O ATOM 0 H GLY A 59 7.283 -4.188 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.547 -5.731 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.196 -5.198 -6.210 1.00 0.00 H new ATOM 262 N GLN A 60 7.839 -7.824 -5.486 1.00 0.00 N ATOM 263 CA GLN A 60 8.107 -9.067 -4.772 1.00 0.00 C ATOM 264 C GLN A 60 6.828 -9.635 -4.168 1.00 0.00 C ATOM 265 O GLN A 60 6.809 -10.052 -3.010 1.00 0.00 O ATOM 266 CB GLN A 60 9.145 -8.834 -3.673 1.00 0.00 C ATOM 267 CG GLN A 60 10.000 -10.056 -3.375 1.00 0.00 C ATOM 268 CD GLN A 60 11.130 -10.234 -4.370 1.00 0.00 C ATOM 269 OE1 GLN A 60 11.514 -9.294 -5.066 1.00 0.00 O ATOM 270 NE2 GLN A 60 11.670 -11.445 -4.442 1.00 0.00 N ATOM 0 H GLN A 60 7.907 -7.897 -6.501 1.00 0.00 H new ATOM 0 HA GLN A 60 8.501 -9.790 -5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.794 -8.009 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.633 -8.527 -2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.415 -9.968 -2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.371 -10.946 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.321 -12.195 -3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.434 -11.625 -5.093 1.00 0.00 H new ATOM 279 N ILE A 61 5.760 -9.647 -4.959 1.00 0.00 N ATOM 280 CA ILE A 61 4.477 -10.164 -4.501 1.00 0.00 C ATOM 281 C ILE A 61 3.923 -11.201 -5.473 1.00 0.00 C ATOM 282 O ILE A 61 3.901 -10.999 -6.688 1.00 0.00 O ATOM 283 CB ILE A 61 3.443 -9.035 -4.329 1.00 0.00 C ATOM 284 CG1 ILE A 61 3.926 -8.027 -3.285 1.00 0.00 C ATOM 285 CG2 ILE A 61 2.092 -9.610 -3.933 1.00 0.00 C ATOM 286 CD1 ILE A 61 3.036 -6.810 -3.163 1.00 0.00 C ATOM 0 H ILE A 61 5.758 -9.305 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 61 4.654 -10.634 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 61 3.330 -8.517 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.987 -8.521 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.935 -7.705 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.372 -8.800 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.746 -10.293 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.188 -10.150 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.439 -6.139 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.995 -6.292 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.032 -7.121 -2.875 1.00 0.00 H new ATOM 298 N PRO A 62 3.464 -12.337 -4.929 1.00 0.00 N ATOM 299 CA PRO A 62 2.900 -13.427 -5.730 1.00 0.00 C ATOM 300 C PRO A 62 1.552 -13.060 -6.340 1.00 0.00 C ATOM 301 O PRO A 62 0.799 -12.267 -5.775 1.00 0.00 O ATOM 302 CB PRO A 62 2.737 -14.564 -4.717 1.00 0.00 C ATOM 303 CG PRO A 62 2.609 -13.881 -3.399 1.00 0.00 C ATOM 304 CD PRO A 62 3.460 -12.645 -3.489 1.00 0.00 C ATOM 0 HA PRO A 62 3.536 -13.681 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.856 -15.167 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.596 -15.235 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.570 -13.625 -3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.946 -14.529 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.042 -11.826 -2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.468 -12.823 -3.113 1.00 0.00 H new ATOM 312 N ARG A 63 1.253 -13.642 -7.497 1.00 0.00 N ATOM 313 CA ARG A 63 -0.004 -13.376 -8.185 1.00 0.00 C ATOM 314 C ARG A 63 -1.138 -14.202 -7.585 1.00 0.00 C ATOM 315 O ARG A 63 -1.978 -14.738 -8.306 1.00 0.00 O ATOM 316 CB ARG A 63 0.131 -13.683 -9.677 1.00 0.00 C ATOM 317 CG ARG A 63 0.552 -15.114 -9.969 1.00 0.00 C ATOM 318 CD ARG A 63 0.057 -15.574 -11.331 1.00 0.00 C ATOM 319 NE ARG A 63 -1.362 -15.920 -11.309 1.00 0.00 N ATOM 320 CZ ARG A 63 -2.099 -16.069 -12.404 1.00 0.00 C ATOM 321 NH1 ARG A 63 -1.554 -15.903 -13.601 1.00 0.00 N ATOM 322 NH2 ARG A 63 -3.384 -16.385 -12.303 1.00 0.00 N ATOM 0 H ARG A 63 1.865 -14.301 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.241 -12.320 -8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.822 -13.487 -10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.861 -13.002 -10.115 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.639 -15.189 -9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.160 -15.775 -9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.227 -14.785 -12.064 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.636 -16.439 -11.654 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.811 -16.055 -10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.567 -15.660 -13.683 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.122 -16.018 -14.440 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.807 -16.514 -11.384 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.949 -16.499 -13.145 1.00 0.00 H new ATOM 336 N ASN A 64 -1.154 -14.301 -6.259 1.00 0.00 N ATOM 337 CA ASN A 64 -2.184 -15.063 -5.562 1.00 0.00 C ATOM 338 C ASN A 64 -2.918 -14.187 -4.552 1.00 0.00 C ATOM 339 O ASN A 64 -3.794 -14.658 -3.825 1.00 0.00 O ATOM 340 CB ASN A 64 -1.563 -16.268 -4.852 1.00 0.00 C ATOM 341 CG ASN A 64 -0.947 -15.898 -3.517 1.00 0.00 C ATOM 342 OD1 ASN A 64 -0.496 -14.770 -3.319 1.00 0.00 O ATOM 343 ND2 ASN A 64 -0.925 -16.851 -2.592 1.00 0.00 N ATOM 0 H ASN A 64 -0.466 -13.863 -5.646 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.903 -15.416 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.328 -17.029 -4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.799 -16.709 -5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.523 -16.662 -1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.310 -17.772 -2.800 1.00 0.00 H new ATOM 350 N LEU A 65 -2.557 -12.909 -4.512 1.00 0.00 N ATOM 351 CA LEU A 65 -3.182 -11.965 -3.591 1.00 0.00 C ATOM 352 C LEU A 65 -4.229 -11.118 -4.308 1.00 0.00 C ATOM 353 O LEU A 65 -4.447 -11.269 -5.510 1.00 0.00 O ATOM 354 CB LEU A 65 -2.123 -11.061 -2.960 1.00 0.00 C ATOM 355 CG LEU A 65 -0.926 -11.771 -2.324 1.00 0.00 C ATOM 356 CD1 LEU A 65 0.075 -10.757 -1.792 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.388 -12.702 -1.213 1.00 0.00 C ATOM 0 H LEU A 65 -1.835 -12.502 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.678 -12.535 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.751 -10.381 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.604 -10.449 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.433 -12.369 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.919 -11.280 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.430 -10.131 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.406 -10.132 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.524 -13.199 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.906 -12.125 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.066 -13.450 -1.624 1.00 0.00 H new ATOM 369 N ASP A 66 -4.871 -10.226 -3.562 1.00 0.00 N ATOM 370 CA ASP A 66 -5.893 -9.352 -4.126 1.00 0.00 C ATOM 371 C ASP A 66 -5.778 -7.942 -3.555 1.00 0.00 C ATOM 372 O ASP A 66 -4.985 -7.693 -2.648 1.00 0.00 O ATOM 373 CB ASP A 66 -7.287 -9.916 -3.848 1.00 0.00 C ATOM 374 CG ASP A 66 -8.287 -9.548 -4.927 1.00 0.00 C ATOM 375 OD1 ASP A 66 -8.634 -8.353 -5.032 1.00 0.00 O ATOM 376 OD2 ASP A 66 -8.720 -10.455 -5.668 1.00 0.00 O ATOM 0 H ASP A 66 -4.702 -10.089 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.738 -9.302 -5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.227 -11.001 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.641 -9.544 -2.887 1.00 0.00 H new ATOM 381 N GLU A 67 -6.573 -7.024 -4.095 1.00 0.00 N ATOM 382 CA GLU A 67 -6.558 -5.638 -3.639 1.00 0.00 C ATOM 383 C GLU A 67 -7.150 -5.520 -2.238 1.00 0.00 C ATOM 384 O GLU A 67 -6.690 -4.720 -1.422 1.00 0.00 O ATOM 385 CB GLU A 67 -7.337 -4.750 -4.611 1.00 0.00 C ATOM 386 CG GLU A 67 -6.538 -4.341 -5.837 1.00 0.00 C ATOM 387 CD GLU A 67 -7.397 -3.694 -6.905 1.00 0.00 C ATOM 388 OE1 GLU A 67 -7.637 -2.472 -6.815 1.00 0.00 O ATOM 389 OE2 GLU A 67 -7.830 -4.411 -7.832 1.00 0.00 O ATOM 0 H GLU A 67 -7.235 -7.214 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.521 -5.304 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.235 -5.278 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.666 -3.853 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.752 -3.647 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.046 -5.219 -6.255 1.00 0.00 H new ATOM 396 N LYS A 68 -8.175 -6.320 -1.966 1.00 0.00 N ATOM 397 CA LYS A 68 -8.832 -6.308 -0.664 1.00 0.00 C ATOM 398 C LYS A 68 -7.955 -6.968 0.395 1.00 0.00 C ATOM 399 O LYS A 68 -8.187 -6.811 1.593 1.00 0.00 O ATOM 400 CB LYS A 68 -10.181 -7.025 -0.744 1.00 0.00 C ATOM 401 CG LYS A 68 -10.958 -7.006 0.561 1.00 0.00 C ATOM 402 CD LYS A 68 -12.413 -7.390 0.350 1.00 0.00 C ATOM 403 CE LYS A 68 -13.033 -7.948 1.622 1.00 0.00 C ATOM 404 NZ LYS A 68 -14.375 -8.542 1.370 1.00 0.00 N ATOM 0 H LYS A 68 -8.569 -6.986 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.996 -5.269 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.785 -6.560 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.016 -8.060 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.498 -7.695 1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.904 -6.011 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.977 -6.517 0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.483 -8.132 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.374 -8.706 2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.121 -7.153 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.764 -8.911 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.012 -7.813 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.288 -9.318 0.683 1.00 0.00 H new ATOM 418 N ASP A 69 -6.946 -7.706 -0.056 1.00 0.00 N ATOM 419 CA ASP A 69 -6.032 -8.388 0.853 1.00 0.00 C ATOM 420 C ASP A 69 -4.767 -7.564 1.071 1.00 0.00 C ATOM 421 O ASP A 69 -4.044 -7.764 2.048 1.00 0.00 O ATOM 422 CB ASP A 69 -5.669 -9.768 0.304 1.00 0.00 C ATOM 423 CG ASP A 69 -6.704 -10.820 0.651 1.00 0.00 C ATOM 424 OD1 ASP A 69 -7.894 -10.462 0.782 1.00 0.00 O ATOM 425 OD2 ASP A 69 -6.325 -12.002 0.791 1.00 0.00 O ATOM 0 H ASP A 69 -6.741 -7.847 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.535 -8.508 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.565 -9.709 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.700 -10.071 0.702 1.00 0.00 H new ATOM 430 N LEU A 70 -4.504 -6.639 0.154 1.00 0.00 N ATOM 431 CA LEU A 70 -3.325 -5.786 0.245 1.00 0.00 C ATOM 432 C LEU A 70 -3.693 -4.402 0.772 1.00 0.00 C ATOM 433 O LEU A 70 -2.897 -3.752 1.450 1.00 0.00 O ATOM 434 CB LEU A 70 -2.655 -5.660 -1.125 1.00 0.00 C ATOM 435 CG LEU A 70 -1.760 -6.827 -1.544 1.00 0.00 C ATOM 436 CD1 LEU A 70 -1.434 -6.743 -3.027 1.00 0.00 C ATOM 437 CD2 LEU A 70 -0.484 -6.845 -0.715 1.00 0.00 C ATOM 0 H LEU A 70 -5.091 -6.461 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.627 -6.247 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.433 -5.537 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.057 -4.749 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.299 -7.757 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.796 -7.581 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.357 -6.780 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.914 -5.807 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.141 -7.682 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.059 -5.912 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.737 -6.954 0.340 1.00 0.00 H new ATOM 449 N LYS A 71 -4.906 -3.959 0.458 1.00 0.00 N ATOM 450 CA LYS A 71 -5.383 -2.655 0.903 1.00 0.00 C ATOM 451 C LYS A 71 -5.382 -2.565 2.425 1.00 0.00 C ATOM 452 O LYS A 71 -4.996 -1.554 3.012 1.00 0.00 O ATOM 453 CB LYS A 71 -6.792 -2.395 0.366 1.00 0.00 C ATOM 454 CG LYS A 71 -7.234 -0.947 0.494 1.00 0.00 C ATOM 455 CD LYS A 71 -8.598 -0.722 -0.136 1.00 0.00 C ATOM 456 CE LYS A 71 -8.916 0.760 -0.265 1.00 0.00 C ATOM 457 NZ LYS A 71 -8.037 1.431 -1.262 1.00 0.00 N ATOM 0 H LYS A 71 -5.577 -4.484 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.706 -1.895 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.831 -2.687 -0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.498 -3.030 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.268 -0.668 1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.500 -0.298 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.626 -1.188 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.364 -1.208 0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.958 0.884 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.799 1.242 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.463 2.336 -1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.103 1.607 -0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.929 0.820 -2.097 1.00 0.00 H new ATOM 471 N PRO A 72 -5.823 -3.648 3.083 1.00 0.00 N ATOM 472 CA PRO A 72 -5.881 -3.716 4.546 1.00 0.00 C ATOM 473 C PRO A 72 -4.585 -3.251 5.200 1.00 0.00 C ATOM 474 O PRO A 72 -4.568 -2.259 5.931 1.00 0.00 O ATOM 475 CB PRO A 72 -6.115 -5.204 4.823 1.00 0.00 C ATOM 476 CG PRO A 72 -6.791 -5.715 3.597 1.00 0.00 C ATOM 477 CD PRO A 72 -6.299 -4.889 2.449 1.00 0.00 C ATOM 0 HA PRO A 72 -6.655 -3.065 4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.175 -5.726 5.004 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.736 -5.349 5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.561 -6.769 3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.874 -5.636 3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.498 -5.394 1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.094 -4.691 1.730 1.00 0.00 H new ATOM 485 N LEU A 73 -3.501 -3.971 4.933 1.00 0.00 N ATOM 486 CA LEU A 73 -2.199 -3.630 5.496 1.00 0.00 C ATOM 487 C LEU A 73 -1.951 -2.127 5.424 1.00 0.00 C ATOM 488 O LEU A 73 -1.985 -1.433 6.440 1.00 0.00 O ATOM 489 CB LEU A 73 -1.090 -4.378 4.753 1.00 0.00 C ATOM 490 CG LEU A 73 -1.263 -5.893 4.636 1.00 0.00 C ATOM 491 CD1 LEU A 73 -0.168 -6.490 3.766 1.00 0.00 C ATOM 492 CD2 LEU A 73 -1.263 -6.538 6.014 1.00 0.00 C ATOM 0 H LEU A 73 -3.498 -4.794 4.331 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.193 -3.930 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.010 -3.963 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.144 -4.178 5.257 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.224 -6.094 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.308 -7.569 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.215 -6.051 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.805 -6.279 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.387 -7.616 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.318 -6.328 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.084 -6.133 6.605 1.00 0.00 H new ATOM 504 N PHE A 74 -1.703 -1.630 4.217 1.00 0.00 N ATOM 505 CA PHE A 74 -1.450 -0.209 4.012 1.00 0.00 C ATOM 506 C PHE A 74 -2.568 0.635 4.618 1.00 0.00 C ATOM 507 O PHE A 74 -2.330 1.451 5.508 1.00 0.00 O ATOM 508 CB PHE A 74 -1.317 0.097 2.519 1.00 0.00 C ATOM 509 CG PHE A 74 -0.237 -0.695 1.839 1.00 0.00 C ATOM 510 CD1 PHE A 74 1.099 -0.429 2.090 1.00 0.00 C ATOM 511 CD2 PHE A 74 -0.559 -1.706 0.947 1.00 0.00 C ATOM 512 CE1 PHE A 74 2.095 -1.157 1.465 1.00 0.00 C ATOM 513 CE2 PHE A 74 0.432 -2.438 0.321 1.00 0.00 C ATOM 514 CZ PHE A 74 1.760 -2.162 0.579 1.00 0.00 C ATOM 0 H PHE A 74 -1.672 -2.191 3.366 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.515 0.044 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.269 -0.106 2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.113 1.160 2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.366 0.356 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.596 -1.924 0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.133 -0.940 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.168 -3.225 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.536 -2.731 0.089 1.00 0.00 H new ATOM 524 N GLU A 75 -3.787 0.432 4.128 1.00 0.00 N ATOM 525 CA GLU A 75 -4.941 1.175 4.620 1.00 0.00 C ATOM 526 C GLU A 75 -4.876 1.339 6.136 1.00 0.00 C ATOM 527 O GLU A 75 -5.440 2.281 6.693 1.00 0.00 O ATOM 528 CB GLU A 75 -6.238 0.464 4.229 1.00 0.00 C ATOM 529 CG GLU A 75 -7.489 1.277 4.518 1.00 0.00 C ATOM 530 CD GLU A 75 -7.249 2.771 4.418 1.00 0.00 C ATOM 531 OE1 GLU A 75 -7.161 3.282 3.282 1.00 0.00 O ATOM 532 OE2 GLU A 75 -7.150 3.428 5.475 1.00 0.00 O ATOM 0 H GLU A 75 -4.001 -0.240 3.391 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.925 2.164 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.206 0.227 3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.299 -0.483 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.274 0.991 3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.851 1.037 5.518 1.00 0.00 H new ATOM 539 N GLU A 76 -4.184 0.416 6.797 1.00 0.00 N ATOM 540 CA GLU A 76 -4.047 0.458 8.248 1.00 0.00 C ATOM 541 C GLU A 76 -3.115 1.589 8.673 1.00 0.00 C ATOM 542 O GLU A 76 -3.430 2.361 9.579 1.00 0.00 O ATOM 543 CB GLU A 76 -3.517 -0.878 8.771 1.00 0.00 C ATOM 544 CG GLU A 76 -3.736 -1.078 10.262 1.00 0.00 C ATOM 545 CD GLU A 76 -2.781 -2.092 10.861 1.00 0.00 C ATOM 546 OE1 GLU A 76 -2.723 -3.229 10.346 1.00 0.00 O ATOM 547 OE2 GLU A 76 -2.091 -1.749 11.844 1.00 0.00 O ATOM 0 H GLU A 76 -3.710 -0.369 6.351 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.033 0.642 8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.003 -1.689 8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.450 -0.945 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.615 -0.124 10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.762 -1.404 10.434 1.00 0.00 H new ATOM 554 N PHE A 77 -1.964 1.680 8.014 1.00 0.00 N ATOM 555 CA PHE A 77 -0.985 2.714 8.324 1.00 0.00 C ATOM 556 C PHE A 77 -1.449 4.074 7.810 1.00 0.00 C ATOM 557 O PHE A 77 -1.349 5.081 8.509 1.00 0.00 O ATOM 558 CB PHE A 77 0.373 2.361 7.713 1.00 0.00 C ATOM 559 CG PHE A 77 1.176 1.406 8.548 1.00 0.00 C ATOM 560 CD1 PHE A 77 2.000 1.873 9.559 1.00 0.00 C ATOM 561 CD2 PHE A 77 1.108 0.041 8.322 1.00 0.00 C ATOM 562 CE1 PHE A 77 2.741 0.997 10.330 1.00 0.00 C ATOM 563 CE2 PHE A 77 1.846 -0.840 9.090 1.00 0.00 C ATOM 564 CZ PHE A 77 2.664 -0.361 10.094 1.00 0.00 C ATOM 0 H PHE A 77 -1.687 1.049 7.262 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.884 2.770 9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.216 1.925 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.947 3.277 7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.064 2.935 9.747 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.471 -0.339 7.537 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.379 1.374 11.116 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.783 -1.902 8.905 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.243 -1.048 10.694 1.00 0.00 H new ATOM 574 N GLY A 78 -1.956 4.094 6.581 1.00 0.00 N ATOM 575 CA GLY A 78 -2.427 5.334 5.993 1.00 0.00 C ATOM 576 C GLY A 78 -3.693 5.147 5.180 1.00 0.00 C ATOM 577 O GLY A 78 -3.989 4.042 4.724 1.00 0.00 O ATOM 0 H GLY A 78 -2.049 3.273 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.611 6.061 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.647 5.749 5.355 1.00 0.00 H new ATOM 581 N LYS A 79 -4.444 6.228 5.000 1.00 0.00 N ATOM 582 CA LYS A 79 -5.686 6.179 4.238 1.00 0.00 C ATOM 583 C LYS A 79 -5.405 6.210 2.739 1.00 0.00 C ATOM 584 O LYS A 79 -5.323 7.281 2.136 1.00 0.00 O ATOM 585 CB LYS A 79 -6.591 7.351 4.623 1.00 0.00 C ATOM 586 CG LYS A 79 -6.974 7.366 6.093 1.00 0.00 C ATOM 587 CD LYS A 79 -8.025 8.424 6.384 1.00 0.00 C ATOM 588 CE LYS A 79 -7.925 8.930 7.815 1.00 0.00 C ATOM 589 NZ LYS A 79 -6.651 9.664 8.056 1.00 0.00 N ATOM 0 H LYS A 79 -4.214 7.150 5.372 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.193 5.244 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.086 8.285 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.498 7.312 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.354 6.386 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.088 7.555 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.904 9.258 5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.018 8.009 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.768 9.587 8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.995 8.088 8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.779 10.332 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.900 8.986 8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.384 10.187 7.198 1.00 0.00 H new ATOM 603 N ILE A 80 -5.262 5.031 2.143 1.00 0.00 N ATOM 604 CA ILE A 80 -4.994 4.925 0.714 1.00 0.00 C ATOM 605 C ILE A 80 -5.880 5.876 -0.083 1.00 0.00 C ATOM 606 O ILE A 80 -6.969 6.244 0.358 1.00 0.00 O ATOM 607 CB ILE A 80 -5.213 3.488 0.206 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.283 2.518 0.936 1.00 0.00 C ATOM 609 CG2 ILE A 80 -4.987 3.418 -1.297 1.00 0.00 C ATOM 610 CD1 ILE A 80 -4.642 1.063 0.727 1.00 0.00 C ATOM 0 H ILE A 80 -5.327 4.136 2.628 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.949 5.198 0.567 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.243 3.198 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.260 2.684 0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.305 2.740 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.145 2.396 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.687 4.084 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.966 3.724 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.940 0.433 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.653 0.882 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.592 0.825 -0.335 1.00 0.00 H new ATOM 622 N TYR A 81 -5.407 6.269 -1.261 1.00 0.00 N ATOM 623 CA TYR A 81 -6.156 7.178 -2.120 1.00 0.00 C ATOM 624 C TYR A 81 -6.657 6.458 -3.369 1.00 0.00 C ATOM 625 O TYR A 81 -7.758 6.721 -3.850 1.00 0.00 O ATOM 626 CB TYR A 81 -5.285 8.369 -2.520 1.00 0.00 C ATOM 627 CG TYR A 81 -5.801 9.118 -3.728 1.00 0.00 C ATOM 628 CD1 TYR A 81 -6.944 9.903 -3.647 1.00 0.00 C ATOM 629 CD2 TYR A 81 -5.145 9.040 -4.951 1.00 0.00 C ATOM 630 CE1 TYR A 81 -7.420 10.589 -4.748 1.00 0.00 C ATOM 631 CE2 TYR A 81 -5.613 9.723 -6.057 1.00 0.00 C ATOM 632 CZ TYR A 81 -6.750 10.496 -5.951 1.00 0.00 C ATOM 633 OH TYR A 81 -7.220 11.177 -7.050 1.00 0.00 O ATOM 0 H TYR A 81 -4.509 5.972 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.018 7.539 -1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.217 9.058 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.274 8.016 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.470 9.979 -2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.254 8.435 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.311 11.194 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.091 9.652 -7.000 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.633 11.006 -7.816 1.00 0.00 H new ATOM 643 N GLU A 82 -5.839 5.546 -3.886 1.00 0.00 N ATOM 644 CA GLU A 82 -6.199 4.788 -5.079 1.00 0.00 C ATOM 645 C GLU A 82 -5.301 3.563 -5.236 1.00 0.00 C ATOM 646 O GLU A 82 -4.101 3.687 -5.485 1.00 0.00 O ATOM 647 CB GLU A 82 -6.096 5.672 -6.323 1.00 0.00 C ATOM 648 CG GLU A 82 -6.291 4.915 -7.626 1.00 0.00 C ATOM 649 CD GLU A 82 -6.410 5.836 -8.824 1.00 0.00 C ATOM 650 OE1 GLU A 82 -5.665 6.838 -8.877 1.00 0.00 O ATOM 651 OE2 GLU A 82 -7.246 5.557 -9.708 1.00 0.00 O ATOM 0 H GLU A 82 -4.924 5.315 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.229 4.451 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.842 6.464 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.119 6.154 -6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.452 4.236 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.189 4.301 -7.554 1.00 0.00 H new ATOM 658 N LEU A 83 -5.891 2.382 -5.089 1.00 0.00 N ATOM 659 CA LEU A 83 -5.146 1.134 -5.213 1.00 0.00 C ATOM 660 C LEU A 83 -5.296 0.548 -6.614 1.00 0.00 C ATOM 661 O LEU A 83 -6.398 0.491 -7.161 1.00 0.00 O ATOM 662 CB LEU A 83 -5.627 0.123 -4.171 1.00 0.00 C ATOM 663 CG LEU A 83 -4.787 -1.146 -4.029 1.00 0.00 C ATOM 664 CD1 LEU A 83 -3.383 -0.805 -3.554 1.00 0.00 C ATOM 665 CD2 LEU A 83 -5.453 -2.122 -3.071 1.00 0.00 C ATOM 0 H LEU A 83 -6.883 2.262 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.092 1.350 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.664 0.620 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.648 -0.167 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.713 -1.621 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.799 -1.720 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.905 -0.143 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.437 -0.307 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.841 -3.020 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.558 -1.656 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.438 -2.391 -3.452 1.00 0.00 H new ATOM 677 N THR A 84 -4.180 0.112 -7.190 1.00 0.00 N ATOM 678 CA THR A 84 -4.186 -0.471 -8.525 1.00 0.00 C ATOM 679 C THR A 84 -3.148 -1.580 -8.647 1.00 0.00 C ATOM 680 O THR A 84 -1.944 -1.323 -8.622 1.00 0.00 O ATOM 681 CB THR A 84 -3.912 0.594 -9.604 1.00 0.00 C ATOM 682 OG1 THR A 84 -4.940 1.590 -9.581 1.00 0.00 O ATOM 683 CG2 THR A 84 -3.844 -0.040 -10.985 1.00 0.00 C ATOM 0 H THR A 84 -3.260 0.152 -6.752 1.00 0.00 H new ATOM 0 HA THR A 84 -5.180 -0.890 -8.682 1.00 0.00 H new ATOM 0 HB THR A 84 -2.951 1.060 -9.388 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.758 2.264 -10.269 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.650 0.731 -11.730 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.041 -0.777 -11.008 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.792 -0.529 -11.208 1.00 0.00 H new ATOM 691 N VAL A 85 -3.621 -2.816 -8.778 1.00 0.00 N ATOM 692 CA VAL A 85 -2.732 -3.965 -8.906 1.00 0.00 C ATOM 693 C VAL A 85 -2.310 -4.175 -10.355 1.00 0.00 C ATOM 694 O VAL A 85 -3.065 -4.720 -11.161 1.00 0.00 O ATOM 695 CB VAL A 85 -3.401 -5.251 -8.386 1.00 0.00 C ATOM 696 CG1 VAL A 85 -2.521 -6.461 -8.664 1.00 0.00 C ATOM 697 CG2 VAL A 85 -3.703 -5.131 -6.900 1.00 0.00 C ATOM 0 H VAL A 85 -4.614 -3.047 -8.798 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.850 -3.752 -8.302 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.344 -5.389 -8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.010 -7.360 -8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.361 -6.555 -9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.561 -6.335 -8.164 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.176 -6.049 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.775 -4.969 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.375 -4.290 -6.732 1.00 0.00 H new ATOM 707 N LEU A 86 -1.098 -3.740 -10.681 1.00 0.00 N ATOM 708 CA LEU A 86 -0.573 -3.880 -12.035 1.00 0.00 C ATOM 709 C LEU A 86 -0.898 -5.257 -12.605 1.00 0.00 C ATOM 710 O LEU A 86 -0.487 -6.281 -12.058 1.00 0.00 O ATOM 711 CB LEU A 86 0.941 -3.658 -12.042 1.00 0.00 C ATOM 712 CG LEU A 86 1.408 -2.212 -11.866 1.00 0.00 C ATOM 713 CD1 LEU A 86 2.893 -2.167 -11.543 1.00 0.00 C ATOM 714 CD2 LEU A 86 1.107 -1.399 -13.117 1.00 0.00 C ATOM 0 H LEU A 86 -0.460 -3.287 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.048 -3.125 -12.662 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.380 -4.260 -11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.339 -4.035 -12.984 1.00 0.00 H new ATOM 0 HG LEU A 86 0.862 -1.772 -11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.208 -1.131 -11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.081 -2.714 -10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.456 -2.624 -12.357 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.446 -0.373 -12.974 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.626 -1.837 -13.969 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.033 -1.404 -13.304 1.00 0.00 H new ATOM 726 N LYS A 87 -1.638 -5.275 -13.708 1.00 0.00 N ATOM 727 CA LYS A 87 -2.017 -6.525 -14.356 1.00 0.00 C ATOM 728 C LYS A 87 -1.855 -6.425 -15.869 1.00 0.00 C ATOM 729 O LYS A 87 -2.285 -5.450 -16.486 1.00 0.00 O ATOM 730 CB LYS A 87 -3.464 -6.884 -14.011 1.00 0.00 C ATOM 731 CG LYS A 87 -3.626 -7.493 -12.629 1.00 0.00 C ATOM 732 CD LYS A 87 -4.868 -8.364 -12.545 1.00 0.00 C ATOM 733 CE LYS A 87 -5.097 -8.874 -11.130 1.00 0.00 C ATOM 734 NZ LYS A 87 -5.988 -10.067 -11.109 1.00 0.00 N ATOM 0 H LYS A 87 -1.988 -4.437 -14.173 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.356 -7.310 -13.988 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.078 -5.986 -14.078 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.843 -7.585 -14.755 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.746 -8.089 -12.388 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.687 -6.698 -11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.737 -7.793 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.768 -9.209 -13.226 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.139 -9.128 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.537 -8.081 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.120 -10.385 -10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.911 -9.818 -11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.557 -10.832 -11.666 1.00 0.00 H new ATOM 748 N ASP A 88 -1.233 -7.438 -16.461 1.00 0.00 N ATOM 749 CA ASP A 88 -1.016 -7.465 -17.903 1.00 0.00 C ATOM 750 C ASP A 88 -2.118 -8.253 -18.604 1.00 0.00 C ATOM 751 O ASP A 88 -3.028 -8.775 -17.959 1.00 0.00 O ATOM 752 CB ASP A 88 0.348 -8.077 -18.224 1.00 0.00 C ATOM 753 CG ASP A 88 0.880 -7.632 -19.572 1.00 0.00 C ATOM 754 OD1 ASP A 88 1.408 -6.504 -19.659 1.00 0.00 O ATOM 755 OD2 ASP A 88 0.769 -8.413 -20.541 1.00 0.00 O ATOM 0 H ASP A 88 -0.870 -8.252 -15.965 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.040 -6.438 -18.268 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.060 -7.799 -17.446 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.268 -9.164 -18.209 1.00 0.00 H new ATOM 760 N ARG A 89 -2.031 -8.335 -19.928 1.00 0.00 N ATOM 761 CA ARG A 89 -3.022 -9.057 -20.716 1.00 0.00 C ATOM 762 C ARG A 89 -2.356 -10.120 -21.585 1.00 0.00 C ATOM 763 O ARG A 89 -3.001 -10.735 -22.435 1.00 0.00 O ATOM 764 CB ARG A 89 -3.812 -8.086 -21.595 1.00 0.00 C ATOM 765 CG ARG A 89 -4.830 -8.768 -22.494 1.00 0.00 C ATOM 766 CD ARG A 89 -5.859 -7.780 -23.021 1.00 0.00 C ATOM 767 NE ARG A 89 -6.773 -7.330 -21.974 1.00 0.00 N ATOM 768 CZ ARG A 89 -7.932 -6.730 -22.219 1.00 0.00 C ATOM 769 NH1 ARG A 89 -8.318 -6.509 -23.468 1.00 0.00 N ATOM 770 NH2 ARG A 89 -8.709 -6.350 -21.212 1.00 0.00 N ATOM 0 H ARG A 89 -1.284 -7.910 -20.477 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.707 -9.552 -20.027 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.327 -7.368 -20.957 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.115 -7.520 -22.213 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.318 -9.242 -23.331 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.335 -9.559 -21.939 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.348 -6.919 -23.450 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.430 -8.245 -23.825 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.506 -7.485 -21.002 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.724 -6.800 -24.244 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.209 -6.048 -23.652 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.416 -6.519 -20.250 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.599 -5.889 -21.401 1.00 0.00 H new ATOM 784 N PHE A 90 -1.062 -10.330 -21.366 1.00 0.00 N ATOM 785 CA PHE A 90 -0.309 -11.317 -22.130 1.00 0.00 C ATOM 786 C PHE A 90 0.304 -12.366 -21.207 1.00 0.00 C ATOM 787 O PHE A 90 -0.173 -13.499 -21.132 1.00 0.00 O ATOM 788 CB PHE A 90 0.792 -10.632 -22.944 1.00 0.00 C ATOM 789 CG PHE A 90 0.285 -9.949 -24.181 1.00 0.00 C ATOM 790 CD1 PHE A 90 -0.720 -8.998 -24.102 1.00 0.00 C ATOM 791 CD2 PHE A 90 0.813 -10.258 -25.425 1.00 0.00 C ATOM 792 CE1 PHE A 90 -1.188 -8.368 -25.239 1.00 0.00 C ATOM 793 CE2 PHE A 90 0.348 -9.631 -26.566 1.00 0.00 C ATOM 794 CZ PHE A 90 -0.653 -8.685 -26.473 1.00 0.00 C ATOM 0 H PHE A 90 -0.514 -9.830 -20.666 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.998 -11.816 -22.811 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.296 -9.899 -22.314 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.538 -11.374 -23.228 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.142 -8.746 -23.140 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.597 -10.997 -25.504 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.971 -7.628 -25.163 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.768 -9.881 -27.529 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.017 -8.194 -27.363 1.00 0.00 H new ATOM 804 N THR A 91 1.366 -11.982 -20.506 1.00 0.00 N ATOM 805 CA THR A 91 2.046 -12.888 -19.589 1.00 0.00 C ATOM 806 C THR A 91 2.079 -12.318 -18.176 1.00 0.00 C ATOM 807 O THR A 91 1.873 -13.039 -17.201 1.00 0.00 O ATOM 808 CB THR A 91 3.488 -13.174 -20.049 1.00 0.00 C ATOM 809 OG1 THR A 91 4.127 -14.068 -19.131 1.00 0.00 O ATOM 810 CG2 THR A 91 4.290 -11.885 -20.150 1.00 0.00 C ATOM 0 H THR A 91 1.774 -11.049 -20.556 1.00 0.00 H new ATOM 0 HA THR A 91 1.481 -13.820 -19.588 1.00 0.00 H new ATOM 0 HB THR A 91 3.446 -13.635 -21.036 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.043 -14.246 -19.431 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.305 -12.112 -20.476 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.818 -11.218 -20.871 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.323 -11.400 -19.175 1.00 0.00 H new ATOM 818 N GLY A 92 2.339 -11.018 -18.073 1.00 0.00 N ATOM 819 CA GLY A 92 2.394 -10.373 -16.774 1.00 0.00 C ATOM 820 C GLY A 92 1.016 -10.089 -16.209 1.00 0.00 C ATOM 821 O GLY A 92 0.777 -9.020 -15.648 1.00 0.00 O ATOM 0 H GLY A 92 2.512 -10.400 -18.866 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.944 -11.008 -16.080 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.948 -9.438 -16.859 1.00 0.00 H new ATOM 825 N MET A 93 0.107 -11.047 -16.360 1.00 0.00 N ATOM 826 CA MET A 93 -1.254 -10.893 -15.861 1.00 0.00 C ATOM 827 C MET A 93 -1.268 -10.115 -14.549 1.00 0.00 C ATOM 828 O MET A 93 -2.176 -9.324 -14.294 1.00 0.00 O ATOM 829 CB MET A 93 -1.905 -12.264 -15.662 1.00 0.00 C ATOM 830 CG MET A 93 -2.019 -13.074 -16.943 1.00 0.00 C ATOM 831 SD MET A 93 -2.137 -14.847 -16.635 1.00 0.00 S ATOM 832 CE MET A 93 -3.440 -15.303 -17.777 1.00 0.00 C ATOM 0 H MET A 93 0.288 -11.937 -16.824 1.00 0.00 H new ATOM 0 HA MET A 93 -1.824 -10.332 -16.601 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.324 -12.831 -14.934 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.900 -12.127 -15.239 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.898 -12.746 -17.499 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.152 -12.875 -17.572 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.629 -16.374 -17.704 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.349 -14.756 -17.529 1.00 0.00 H new ATOM 0 HE3 MET A 93 -3.135 -15.057 -18.794 1.00 0.00 H new ATOM 842 N HIS A 94 -0.256 -10.346 -13.719 1.00 0.00 N ATOM 843 CA HIS A 94 -0.152 -9.666 -12.433 1.00 0.00 C ATOM 844 C HIS A 94 1.195 -8.961 -12.298 1.00 0.00 C ATOM 845 O HIS A 94 1.336 -8.011 -11.527 1.00 0.00 O ATOM 846 CB HIS A 94 -0.335 -10.663 -11.288 1.00 0.00 C ATOM 847 CG HIS A 94 -0.094 -10.072 -9.934 1.00 0.00 C ATOM 848 ND1 HIS A 94 0.977 -10.422 -9.139 1.00 0.00 N ATOM 849 CD2 HIS A 94 -0.792 -9.146 -9.235 1.00 0.00 C ATOM 850 CE1 HIS A 94 0.926 -9.740 -8.009 1.00 0.00 C ATOM 851 NE2 HIS A 94 -0.138 -8.958 -8.042 1.00 0.00 N ATOM 0 H HIS A 94 0.503 -10.999 -13.914 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.942 -8.916 -12.382 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.348 -11.064 -11.325 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.345 -11.502 -11.435 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.695 -8.648 -9.556 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.634 -9.810 -7.196 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.427 -8.318 -7.302 1.00 0.00 H new ATOM 859 N LYS A 95 2.182 -9.432 -13.053 1.00 0.00 N ATOM 860 CA LYS A 95 3.517 -8.847 -13.019 1.00 0.00 C ATOM 861 C LYS A 95 4.081 -8.859 -11.602 1.00 0.00 C ATOM 862 O LYS A 95 4.938 -8.047 -11.257 1.00 0.00 O ATOM 863 CB LYS A 95 3.482 -7.413 -13.553 1.00 0.00 C ATOM 864 CG LYS A 95 3.368 -7.330 -15.065 1.00 0.00 C ATOM 865 CD LYS A 95 3.830 -5.980 -15.586 1.00 0.00 C ATOM 866 CE LYS A 95 2.784 -4.902 -15.346 1.00 0.00 C ATOM 867 NZ LYS A 95 1.671 -4.980 -16.332 1.00 0.00 N ATOM 0 H LYS A 95 2.082 -10.217 -13.696 1.00 0.00 H new ATOM 0 HA LYS A 95 4.166 -9.449 -13.655 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.639 -6.887 -13.104 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.387 -6.894 -13.236 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.965 -8.120 -15.520 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.333 -7.501 -15.363 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.762 -5.699 -15.096 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.040 -6.053 -16.653 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.383 -5.003 -14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.254 -3.920 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.005 -4.198 -16.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.055 -4.909 -17.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.174 -5.887 -16.223 1.00 0.00 H new ATOM 881 N GLY A 96 3.594 -9.787 -10.783 1.00 0.00 N ATOM 882 CA GLY A 96 4.062 -9.888 -9.414 1.00 0.00 C ATOM 883 C GLY A 96 4.392 -8.536 -8.813 1.00 0.00 C ATOM 884 O GLY A 96 5.519 -8.304 -8.372 1.00 0.00 O ATOM 0 H GLY A 96 2.883 -10.471 -11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.299 -10.375 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.948 -10.522 -9.382 1.00 0.00 H new ATOM 888 N CYS A 97 3.411 -7.641 -8.797 1.00 0.00 N ATOM 889 CA CYS A 97 3.604 -6.304 -8.248 1.00 0.00 C ATOM 890 C CYS A 97 2.293 -5.525 -8.240 1.00 0.00 C ATOM 891 O CYS A 97 1.286 -5.979 -8.784 1.00 0.00 O ATOM 892 CB CYS A 97 4.657 -5.545 -9.056 1.00 0.00 C ATOM 893 SG CYS A 97 4.211 -5.285 -10.789 1.00 0.00 S ATOM 0 H CYS A 97 2.473 -7.817 -9.158 1.00 0.00 H new ATOM 0 HA CYS A 97 3.951 -6.407 -7.220 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.831 -4.576 -8.587 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.598 -6.093 -9.012 1.00 0.00 H new ATOM 0 HG CYS A 97 4.499 -6.350 -11.476 1.00 0.00 H new ATOM 899 N ALA A 98 2.312 -4.350 -7.619 1.00 0.00 N ATOM 900 CA ALA A 98 1.125 -3.507 -7.541 1.00 0.00 C ATOM 901 C ALA A 98 1.496 -2.066 -7.207 1.00 0.00 C ATOM 902 O ALA A 98 2.550 -1.804 -6.629 1.00 0.00 O ATOM 903 CB ALA A 98 0.154 -4.058 -6.507 1.00 0.00 C ATOM 0 H ALA A 98 3.137 -3.960 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 98 0.640 -3.512 -8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.728 -3.419 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.144 -5.068 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.638 -4.083 -5.531 1.00 0.00 H new ATOM 909 N PHE A 99 0.622 -1.135 -7.576 1.00 0.00 N ATOM 910 CA PHE A 99 0.859 0.280 -7.318 1.00 0.00 C ATOM 911 C PHE A 99 -0.022 0.779 -6.176 1.00 0.00 C ATOM 912 O PHE A 99 -1.215 0.478 -6.120 1.00 0.00 O ATOM 913 CB PHE A 99 0.593 1.103 -8.580 1.00 0.00 C ATOM 914 CG PHE A 99 1.819 1.331 -9.417 1.00 0.00 C ATOM 915 CD1 PHE A 99 2.945 1.926 -8.871 1.00 0.00 C ATOM 916 CD2 PHE A 99 1.845 0.951 -10.749 1.00 0.00 C ATOM 917 CE1 PHE A 99 4.075 2.137 -9.638 1.00 0.00 C ATOM 918 CE2 PHE A 99 2.973 1.160 -11.521 1.00 0.00 C ATOM 919 CZ PHE A 99 4.089 1.754 -10.965 1.00 0.00 C ATOM 0 H PHE A 99 -0.256 -1.335 -8.054 1.00 0.00 H new ATOM 0 HA PHE A 99 1.903 0.401 -7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.160 0.595 -9.183 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.174 2.068 -8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.939 2.228 -7.834 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.975 0.487 -11.189 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.946 2.601 -9.200 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.981 0.859 -12.558 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.971 1.919 -11.567 1.00 0.00 H new ATOM 929 N LEU A 100 0.573 1.544 -5.268 1.00 0.00 N ATOM 930 CA LEU A 100 -0.156 2.086 -4.127 1.00 0.00 C ATOM 931 C LEU A 100 -0.033 3.605 -4.073 1.00 0.00 C ATOM 932 O LEU A 100 1.003 4.168 -4.428 1.00 0.00 O ATOM 933 CB LEU A 100 0.366 1.474 -2.826 1.00 0.00 C ATOM 934 CG LEU A 100 -0.425 1.810 -1.561 1.00 0.00 C ATOM 935 CD1 LEU A 100 -1.666 0.937 -1.460 1.00 0.00 C ATOM 936 CD2 LEU A 100 0.448 1.644 -0.326 1.00 0.00 C ATOM 0 H LEU A 100 1.559 1.803 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.209 1.830 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.386 0.390 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.397 1.799 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.742 2.851 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.216 1.190 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.301 1.106 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.371 -0.112 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.131 1.887 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.796 0.613 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.306 2.313 -0.394 1.00 0.00 H new ATOM 948 N THR A 101 -1.096 4.265 -3.624 1.00 0.00 N ATOM 949 CA THR A 101 -1.107 5.719 -3.522 1.00 0.00 C ATOM 950 C THR A 101 -1.582 6.170 -2.146 1.00 0.00 C ATOM 951 O THR A 101 -2.722 5.913 -1.757 1.00 0.00 O ATOM 952 CB THR A 101 -2.011 6.351 -4.598 1.00 0.00 C ATOM 953 OG1 THR A 101 -1.612 5.902 -5.898 1.00 0.00 O ATOM 954 CG2 THR A 101 -1.943 7.869 -4.537 1.00 0.00 C ATOM 0 H THR A 101 -1.961 3.815 -3.325 1.00 0.00 H new ATOM 0 HA THR A 101 -0.082 6.054 -3.677 1.00 0.00 H new ATOM 0 HB THR A 101 -3.038 6.041 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.192 6.307 -6.576 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.589 8.293 -5.306 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.275 8.209 -3.556 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.916 8.194 -4.706 1.00 0.00 H new ATOM 962 N TYR A 102 -0.703 6.844 -1.413 1.00 0.00 N ATOM 963 CA TYR A 102 -1.033 7.330 -0.079 1.00 0.00 C ATOM 964 C TYR A 102 -1.507 8.780 -0.128 1.00 0.00 C ATOM 965 O TYR A 102 -0.828 9.648 -0.678 1.00 0.00 O ATOM 966 CB TYR A 102 0.179 7.209 0.845 1.00 0.00 C ATOM 967 CG TYR A 102 0.254 5.888 1.576 1.00 0.00 C ATOM 968 CD1 TYR A 102 -0.592 5.612 2.643 1.00 0.00 C ATOM 969 CD2 TYR A 102 1.171 4.914 1.199 1.00 0.00 C ATOM 970 CE1 TYR A 102 -0.526 4.406 3.314 1.00 0.00 C ATOM 971 CE2 TYR A 102 1.243 3.705 1.863 1.00 0.00 C ATOM 972 CZ TYR A 102 0.393 3.456 2.920 1.00 0.00 C ATOM 973 OH TYR A 102 0.460 2.253 3.585 1.00 0.00 O ATOM 0 H TYR A 102 0.244 7.066 -1.720 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.843 6.715 0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.088 7.342 0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.151 8.018 1.575 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.314 6.353 2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.839 5.106 0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.190 4.208 4.142 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.961 2.959 1.556 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.208 2.238 4.302 1.00 0.00 H new ATOM 983 N CYS A 103 -2.674 9.034 0.451 1.00 0.00 N ATOM 984 CA CYS A 103 -3.240 10.378 0.474 1.00 0.00 C ATOM 985 C CYS A 103 -2.185 11.406 0.869 1.00 0.00 C ATOM 986 O CYS A 103 -1.895 12.333 0.115 1.00 0.00 O ATOM 987 CB CYS A 103 -4.420 10.441 1.446 1.00 0.00 C ATOM 988 SG CYS A 103 -5.972 9.811 0.764 1.00 0.00 S ATOM 0 H CYS A 103 -3.247 8.327 0.911 1.00 0.00 H new ATOM 0 HA CYS A 103 -3.593 10.614 -0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.171 9.871 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.566 11.475 1.757 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.111 8.559 1.086 1.00 0.00 H new ATOM 994 N GLU A 104 -1.615 11.234 2.058 1.00 0.00 N ATOM 995 CA GLU A 104 -0.594 12.148 2.555 1.00 0.00 C ATOM 996 C GLU A 104 0.802 11.662 2.176 1.00 0.00 C ATOM 997 O GLU A 104 1.311 10.697 2.746 1.00 0.00 O ATOM 998 CB GLU A 104 -0.701 12.292 4.074 1.00 0.00 C ATOM 999 CG GLU A 104 -1.968 12.995 4.531 1.00 0.00 C ATOM 1000 CD GLU A 104 -1.820 13.632 5.899 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -0.677 13.963 6.279 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -2.847 13.801 6.590 1.00 0.00 O ATOM 0 H GLU A 104 -1.843 10.470 2.694 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.759 13.121 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.661 11.302 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.164 12.846 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.236 13.762 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.789 12.278 4.555 1.00 0.00 H new ATOM 1009 N ARG A 105 1.416 12.338 1.209 1.00 0.00 N ATOM 1010 CA ARG A 105 2.751 11.974 0.752 1.00 0.00 C ATOM 1011 C ARG A 105 3.647 11.602 1.930 1.00 0.00 C ATOM 1012 O ARG A 105 4.408 10.638 1.863 1.00 0.00 O ATOM 1013 CB ARG A 105 3.377 13.129 -0.033 1.00 0.00 C ATOM 1014 CG ARG A 105 3.580 14.388 0.794 1.00 0.00 C ATOM 1015 CD ARG A 105 4.989 14.460 1.362 1.00 0.00 C ATOM 1016 NE ARG A 105 5.316 15.799 1.846 1.00 0.00 N ATOM 1017 CZ ARG A 105 6.558 16.250 1.974 1.00 0.00 C ATOM 1018 NH1 ARG A 105 7.586 15.475 1.656 1.00 0.00 N ATOM 1019 NH2 ARG A 105 6.775 17.481 2.421 1.00 0.00 N ATOM 0 H ARG A 105 1.009 13.140 0.728 1.00 0.00 H new ATOM 0 HA ARG A 105 2.660 11.106 0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.339 12.807 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 105 2.741 13.364 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.391 15.265 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.856 14.410 1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.088 13.745 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.705 14.167 0.594 1.00 0.00 H new ATOM 0 HE ARG A 105 4.548 16.421 2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.424 14.529 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.539 15.825 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.987 18.081 2.666 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.729 17.827 2.519 1.00 0.00 H new ATOM 1033 N GLU A 106 3.548 12.374 3.008 1.00 0.00 N ATOM 1034 CA GLU A 106 4.351 12.125 4.200 1.00 0.00 C ATOM 1035 C GLU A 106 3.957 10.804 4.856 1.00 0.00 C ATOM 1036 O GLU A 106 4.799 9.935 5.080 1.00 0.00 O ATOM 1037 CB GLU A 106 4.187 13.272 5.200 1.00 0.00 C ATOM 1038 CG GLU A 106 2.746 13.515 5.617 1.00 0.00 C ATOM 1039 CD GLU A 106 2.542 14.882 6.241 1.00 0.00 C ATOM 1040 OE1 GLU A 106 3.373 15.277 7.086 1.00 0.00 O ATOM 1041 OE2 GLU A 106 1.554 15.556 5.885 1.00 0.00 O ATOM 0 H GLU A 106 2.921 13.175 3.080 1.00 0.00 H new ATOM 0 HA GLU A 106 5.396 12.062 3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.782 13.057 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.588 14.186 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.098 13.417 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.443 12.746 6.328 1.00 0.00 H new ATOM 1048 N SER A 107 2.671 10.662 5.160 1.00 0.00 N ATOM 1049 CA SER A 107 2.165 9.450 5.794 1.00 0.00 C ATOM 1050 C SER A 107 2.703 8.206 5.093 1.00 0.00 C ATOM 1051 O SER A 107 2.954 7.182 5.727 1.00 0.00 O ATOM 1052 CB SER A 107 0.635 9.439 5.774 1.00 0.00 C ATOM 1053 OG SER A 107 0.144 9.089 4.492 1.00 0.00 O ATOM 0 H SER A 107 1.961 11.371 4.978 1.00 0.00 H new ATOM 0 HA SER A 107 2.508 9.440 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.264 8.731 6.515 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.257 10.422 6.055 1.00 0.00 H new ATOM 0 HG SER A 107 0.493 9.717 3.825 1.00 0.00 H new ATOM 1059 N ALA A 108 2.876 8.303 3.778 1.00 0.00 N ATOM 1060 CA ALA A 108 3.385 7.188 2.990 1.00 0.00 C ATOM 1061 C ALA A 108 4.803 6.819 3.413 1.00 0.00 C ATOM 1062 O ALA A 108 5.167 5.643 3.444 1.00 0.00 O ATOM 1063 CB ALA A 108 3.345 7.528 1.508 1.00 0.00 C ATOM 0 H ALA A 108 2.671 9.143 3.237 1.00 0.00 H new ATOM 0 HA ALA A 108 2.744 6.325 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.728 6.686 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.317 7.735 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.961 8.407 1.320 1.00 0.00 H new ATOM 1069 N LEU A 109 5.601 7.831 3.736 1.00 0.00 N ATOM 1070 CA LEU A 109 6.981 7.614 4.156 1.00 0.00 C ATOM 1071 C LEU A 109 7.043 6.671 5.353 1.00 0.00 C ATOM 1072 O LEU A 109 7.960 5.857 5.470 1.00 0.00 O ATOM 1073 CB LEU A 109 7.644 8.947 4.506 1.00 0.00 C ATOM 1074 CG LEU A 109 7.523 10.053 3.458 1.00 0.00 C ATOM 1075 CD1 LEU A 109 8.131 11.348 3.975 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.192 9.631 2.157 1.00 0.00 C ATOM 0 H LEU A 109 5.316 8.810 3.715 1.00 0.00 H new ATOM 0 HA LEU A 109 7.520 7.155 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.213 9.310 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.702 8.765 4.693 1.00 0.00 H new ATOM 0 HG LEU A 109 6.465 10.225 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.035 12.124 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.608 11.660 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.185 11.190 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.096 10.431 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.248 9.430 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.712 8.729 1.777 1.00 0.00 H new ATOM 1088 N LYS A 110 6.061 6.785 6.241 1.00 0.00 N ATOM 1089 CA LYS A 110 6.001 5.941 7.429 1.00 0.00 C ATOM 1090 C LYS A 110 5.890 4.469 7.045 1.00 0.00 C ATOM 1091 O LYS A 110 6.811 3.686 7.277 1.00 0.00 O ATOM 1092 CB LYS A 110 4.812 6.342 8.304 1.00 0.00 C ATOM 1093 CG LYS A 110 4.961 7.712 8.943 1.00 0.00 C ATOM 1094 CD LYS A 110 3.967 7.912 10.074 1.00 0.00 C ATOM 1095 CE LYS A 110 2.549 8.072 9.547 1.00 0.00 C ATOM 1096 NZ LYS A 110 1.639 8.654 10.572 1.00 0.00 N ATOM 0 H LYS A 110 5.295 7.454 6.160 1.00 0.00 H new ATOM 0 HA LYS A 110 6.923 6.083 7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.906 6.330 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 110 4.681 5.597 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.975 7.828 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.814 8.484 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.010 7.060 10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.244 8.794 10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 110 2.559 8.712 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.167 7.101 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.683 8.747 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.609 8.030 11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.989 9.592 10.855 1.00 0.00 H new ATOM 1110 N ALA A 111 4.758 4.099 6.456 1.00 0.00 N ATOM 1111 CA ALA A 111 4.529 2.722 6.037 1.00 0.00 C ATOM 1112 C ALA A 111 5.681 2.210 5.180 1.00 0.00 C ATOM 1113 O ALA A 111 6.037 1.033 5.242 1.00 0.00 O ATOM 1114 CB ALA A 111 3.215 2.613 5.277 1.00 0.00 C ATOM 0 H ALA A 111 3.985 4.734 6.258 1.00 0.00 H new ATOM 0 HA ALA A 111 4.472 2.101 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.057 1.579 4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.395 2.930 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.251 3.252 4.395 1.00 0.00 H new ATOM 1120 N GLN A 112 6.260 3.100 4.381 1.00 0.00 N ATOM 1121 CA GLN A 112 7.372 2.736 3.511 1.00 0.00 C ATOM 1122 C GLN A 112 8.472 2.032 4.298 1.00 0.00 C ATOM 1123 O GLN A 112 8.827 0.891 4.003 1.00 0.00 O ATOM 1124 CB GLN A 112 7.937 3.980 2.823 1.00 0.00 C ATOM 1125 CG GLN A 112 7.101 4.459 1.647 1.00 0.00 C ATOM 1126 CD GLN A 112 7.373 5.906 1.288 1.00 0.00 C ATOM 1127 OE1 GLN A 112 6.469 6.742 1.304 1.00 0.00 O ATOM 1128 NE2 GLN A 112 8.623 6.210 0.961 1.00 0.00 N ATOM 0 H GLN A 112 5.978 4.078 4.318 1.00 0.00 H new ATOM 0 HA GLN A 112 6.997 2.049 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 112 8.015 4.785 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.948 3.765 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.305 3.829 0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.044 4.340 1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.341 5.485 0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.866 7.168 0.710 1.00 0.00 H new ATOM 1137 N SER A 113 9.007 2.720 5.302 1.00 0.00 N ATOM 1138 CA SER A 113 10.070 2.162 6.130 1.00 0.00 C ATOM 1139 C SER A 113 9.506 1.166 7.139 1.00 0.00 C ATOM 1140 O SER A 113 10.240 0.356 7.705 1.00 0.00 O ATOM 1141 CB SER A 113 10.816 3.279 6.861 1.00 0.00 C ATOM 1142 OG SER A 113 12.132 2.878 7.199 1.00 0.00 O ATOM 0 H SER A 113 8.722 3.664 5.562 1.00 0.00 H new ATOM 0 HA SER A 113 10.767 1.636 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.854 4.168 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.272 3.552 7.765 1.00 0.00 H new ATOM 0 HG SER A 113 12.588 3.610 7.664 1.00 0.00 H new ATOM 1148 N ALA A 114 8.197 1.233 7.359 1.00 0.00 N ATOM 1149 CA ALA A 114 7.534 0.337 8.297 1.00 0.00 C ATOM 1150 C ALA A 114 7.292 -1.033 7.672 1.00 0.00 C ATOM 1151 O ALA A 114 7.186 -2.039 8.375 1.00 0.00 O ATOM 1152 CB ALA A 114 6.220 0.943 8.767 1.00 0.00 C ATOM 0 H ALA A 114 7.575 1.899 6.900 1.00 0.00 H new ATOM 0 HA ALA A 114 8.189 0.204 9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.735 0.263 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.414 1.895 9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.567 1.106 7.909 1.00 0.00 H new ATOM 1158 N LEU A 115 7.205 -1.065 6.346 1.00 0.00 N ATOM 1159 CA LEU A 115 6.974 -2.312 5.625 1.00 0.00 C ATOM 1160 C LEU A 115 8.243 -2.772 4.913 1.00 0.00 C ATOM 1161 O LEU A 115 8.637 -3.934 5.013 1.00 0.00 O ATOM 1162 CB LEU A 115 5.842 -2.137 4.612 1.00 0.00 C ATOM 1163 CG LEU A 115 4.424 -2.139 5.183 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.435 -1.607 4.157 1.00 0.00 C ATOM 1165 CD2 LEU A 115 4.031 -3.539 5.629 1.00 0.00 C ATOM 0 H LEU A 115 7.291 -0.242 5.749 1.00 0.00 H new ATOM 0 HA LEU A 115 6.689 -3.075 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.998 -1.197 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.916 -2.935 3.873 1.00 0.00 H new ATOM 0 HG LEU A 115 4.402 -1.483 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.431 -1.616 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.706 -0.586 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.459 -2.237 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.019 -3.521 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.070 -4.217 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.722 -3.883 6.398 1.00 0.00 H new ATOM 1177 N HIS A 116 8.879 -1.851 4.196 1.00 0.00 N ATOM 1178 CA HIS A 116 10.105 -2.161 3.469 1.00 0.00 C ATOM 1179 C HIS A 116 11.048 -3.000 4.327 1.00 0.00 C ATOM 1180 O HIS A 116 11.270 -2.696 5.499 1.00 0.00 O ATOM 1181 CB HIS A 116 10.804 -0.873 3.033 1.00 0.00 C ATOM 1182 CG HIS A 116 11.908 -1.095 2.046 1.00 0.00 C ATOM 1183 ND1 HIS A 116 11.687 -1.509 0.749 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.249 -0.958 2.172 1.00 0.00 C ATOM 1185 CE1 HIS A 116 12.844 -1.618 0.121 1.00 0.00 C ATOM 1186 NE2 HIS A 116 13.808 -1.288 0.962 1.00 0.00 N ATOM 0 H HIS A 116 8.566 -0.885 4.103 1.00 0.00 H new ATOM 0 HA HIS A 116 9.837 -2.738 2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.067 -0.200 2.596 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.210 -0.374 3.913 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.780 -0.647 3.059 1.00 0.00 H new ATOM 0 HE1 HIS A 116 12.979 -1.925 -0.906 1.00 0.00 H new ATOM 0 HE2 HIS A 116 14.805 -1.280 0.747 1.00 0.00 H new ATOM 1194 N GLU A 117 11.598 -4.055 3.735 1.00 0.00 N ATOM 1195 CA GLU A 117 12.515 -4.938 4.447 1.00 0.00 C ATOM 1196 C GLU A 117 12.093 -5.100 5.904 1.00 0.00 C ATOM 1197 O GLU A 117 12.933 -5.236 6.792 1.00 0.00 O ATOM 1198 CB GLU A 117 13.942 -4.391 4.376 1.00 0.00 C ATOM 1199 CG GLU A 117 14.432 -4.149 2.958 1.00 0.00 C ATOM 1200 CD GLU A 117 14.910 -5.418 2.281 1.00 0.00 C ATOM 1201 OE1 GLU A 117 15.319 -6.355 3.000 1.00 0.00 O ATOM 1202 OE2 GLU A 117 14.876 -5.476 1.034 1.00 0.00 O ATOM 0 H GLU A 117 11.425 -4.319 2.765 1.00 0.00 H new ATOM 0 HA GLU A 117 12.484 -5.916 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 117 13.991 -3.455 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.616 -5.092 4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 117 13.627 -3.709 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 117 15.245 -3.424 2.978 1.00 0.00 H new ATOM 1209 N GLN A 118 10.785 -5.084 6.140 1.00 0.00 N ATOM 1210 CA GLN A 118 10.251 -5.228 7.490 1.00 0.00 C ATOM 1211 C GLN A 118 9.238 -6.367 7.555 1.00 0.00 C ATOM 1212 O GLN A 118 9.166 -7.091 8.548 1.00 0.00 O ATOM 1213 CB GLN A 118 9.598 -3.922 7.945 1.00 0.00 C ATOM 1214 CG GLN A 118 10.553 -2.983 8.665 1.00 0.00 C ATOM 1215 CD GLN A 118 9.855 -2.121 9.698 1.00 0.00 C ATOM 1216 OE1 GLN A 118 10.040 -0.904 9.735 1.00 0.00 O ATOM 1217 NE2 GLN A 118 9.046 -2.748 10.544 1.00 0.00 N ATOM 0 H GLN A 118 10.076 -4.973 5.415 1.00 0.00 H new ATOM 0 HA GLN A 118 11.079 -5.463 8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 118 9.185 -3.410 7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.763 -4.154 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.333 -3.568 9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.045 -2.341 7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 118 8.922 -3.758 10.477 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.548 -2.219 11.261 1.00 0.00 H new ATOM 1226 N LYS A 119 8.457 -6.520 6.491 1.00 0.00 N ATOM 1227 CA LYS A 119 7.449 -7.570 6.427 1.00 0.00 C ATOM 1228 C LYS A 119 7.620 -8.413 5.167 1.00 0.00 C ATOM 1229 O LYS A 119 7.862 -7.883 4.081 1.00 0.00 O ATOM 1230 CB LYS A 119 6.045 -6.961 6.458 1.00 0.00 C ATOM 1231 CG LYS A 119 4.933 -7.995 6.458 1.00 0.00 C ATOM 1232 CD LYS A 119 3.673 -7.459 5.800 1.00 0.00 C ATOM 1233 CE LYS A 119 2.763 -6.777 6.810 1.00 0.00 C ATOM 1234 NZ LYS A 119 1.924 -7.759 7.552 1.00 0.00 N ATOM 0 H LYS A 119 8.503 -5.929 5.661 1.00 0.00 H new ATOM 0 HA LYS A 119 7.578 -8.216 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.949 -6.336 7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.922 -6.308 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.267 -8.890 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.711 -8.292 7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.943 -6.751 5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.136 -8.277 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.367 -6.208 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.119 -6.064 6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.318 -7.255 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.329 -8.285 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.538 -8.424 8.064 1.00 0.00 H new ATOM 1248 N THR A 120 7.492 -9.727 5.317 1.00 0.00 N ATOM 1249 CA THR A 120 7.633 -10.643 4.191 1.00 0.00 C ATOM 1250 C THR A 120 6.343 -11.418 3.949 1.00 0.00 C ATOM 1251 O THR A 120 5.787 -12.021 4.868 1.00 0.00 O ATOM 1252 CB THR A 120 8.784 -11.641 4.419 1.00 0.00 C ATOM 1253 OG1 THR A 120 9.991 -10.935 4.725 1.00 0.00 O ATOM 1254 CG2 THR A 120 8.997 -12.511 3.190 1.00 0.00 C ATOM 0 H THR A 120 7.291 -10.182 6.208 1.00 0.00 H new ATOM 0 HA THR A 120 7.858 -10.035 3.315 1.00 0.00 H new ATOM 0 HB THR A 120 8.517 -12.284 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.717 -11.577 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.815 -13.208 3.375 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.085 -13.069 2.977 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.244 -11.880 2.336 1.00 0.00 H new ATOM 1262 N LEU A 121 5.872 -11.400 2.707 1.00 0.00 N ATOM 1263 CA LEU A 121 4.647 -12.103 2.343 1.00 0.00 C ATOM 1264 C LEU A 121 4.889 -13.606 2.248 1.00 0.00 C ATOM 1265 O LEU A 121 5.989 -14.064 1.936 1.00 0.00 O ATOM 1266 CB LEU A 121 4.109 -11.576 1.011 1.00 0.00 C ATOM 1267 CG LEU A 121 3.395 -10.225 1.063 1.00 0.00 C ATOM 1268 CD1 LEU A 121 3.139 -9.703 -0.342 1.00 0.00 C ATOM 1269 CD2 LEU A 121 2.090 -10.342 1.837 1.00 0.00 C ATOM 0 H LEU A 121 6.320 -10.906 1.935 1.00 0.00 H new ATOM 0 HA LEU A 121 3.908 -11.921 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.941 -11.498 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.418 -12.314 0.604 1.00 0.00 H new ATOM 0 HG LEU A 121 4.039 -9.514 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.630 -8.741 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.088 -9.581 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.515 -10.412 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.595 -9.371 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.440 -11.067 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.299 -10.671 2.855 1.00 0.00 H new ATOM 1281 N PRO A 122 3.838 -14.394 2.520 1.00 0.00 N ATOM 1282 CA PRO A 122 3.911 -15.857 2.469 1.00 0.00 C ATOM 1283 C PRO A 122 4.059 -16.381 1.044 1.00 0.00 C ATOM 1284 O PRO A 122 3.212 -16.128 0.189 1.00 0.00 O ATOM 1285 CB PRO A 122 2.573 -16.300 3.065 1.00 0.00 C ATOM 1286 CG PRO A 122 1.651 -15.157 2.818 1.00 0.00 C ATOM 1287 CD PRO A 122 2.498 -13.917 2.898 1.00 0.00 C ATOM 0 HA PRO A 122 4.780 -16.240 3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.210 -17.211 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 122 2.665 -16.511 4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.176 -15.243 1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.852 -15.133 3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.141 -13.142 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 122 2.492 -13.490 3.901 1.00 0.00 H new ATOM 1295 N GLY A 123 5.141 -17.113 0.797 1.00 0.00 N ATOM 1296 CA GLY A 123 5.379 -17.661 -0.526 1.00 0.00 C ATOM 1297 C GLY A 123 6.644 -17.116 -1.160 1.00 0.00 C ATOM 1298 O GLY A 123 7.273 -17.785 -1.979 1.00 0.00 O ATOM 0 H GLY A 123 5.857 -17.336 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 123 5.448 -18.747 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 123 4.528 -17.435 -1.168 1.00 0.00 H new ATOM 1302 N MET A 124 7.016 -15.897 -0.782 1.00 0.00 N ATOM 1303 CA MET A 124 8.214 -15.263 -1.320 1.00 0.00 C ATOM 1304 C MET A 124 9.359 -15.321 -0.313 1.00 0.00 C ATOM 1305 O MET A 124 9.210 -14.903 0.834 1.00 0.00 O ATOM 1306 CB MET A 124 7.922 -13.809 -1.695 1.00 0.00 C ATOM 1307 CG MET A 124 6.728 -13.648 -2.621 1.00 0.00 C ATOM 1308 SD MET A 124 7.050 -14.267 -4.283 1.00 0.00 S ATOM 1309 CE MET A 124 7.814 -12.834 -5.037 1.00 0.00 C ATOM 0 H MET A 124 6.505 -15.329 -0.106 1.00 0.00 H new ATOM 0 HA MET A 124 8.513 -15.809 -2.215 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.745 -13.236 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.803 -13.382 -2.174 1.00 0.00 H new ATOM 0 HG2 MET A 124 5.873 -14.177 -2.200 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.456 -12.594 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.184 -12.471 -5.849 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.932 -12.049 -4.290 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.792 -13.109 -5.432 1.00 0.00 H new ATOM 1319 N ASN A 125 10.500 -15.842 -0.751 1.00 0.00 N ATOM 1320 CA ASN A 125 11.670 -15.956 0.112 1.00 0.00 C ATOM 1321 C ASN A 125 12.165 -14.578 0.541 1.00 0.00 C ATOM 1322 O ASN A 125 12.632 -14.397 1.666 1.00 0.00 O ATOM 1323 CB ASN A 125 12.790 -16.711 -0.607 1.00 0.00 C ATOM 1324 CG ASN A 125 14.049 -16.813 0.231 1.00 0.00 C ATOM 1325 OD1 ASN A 125 14.047 -16.486 1.418 1.00 0.00 O ATOM 1326 ND2 ASN A 125 15.134 -17.268 -0.385 1.00 0.00 N ATOM 0 H ASN A 125 10.640 -16.192 -1.699 1.00 0.00 H new ATOM 0 HA ASN A 125 11.380 -16.513 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 125 12.444 -17.713 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 125 13.021 -16.206 -1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 125 16.011 -17.358 0.127 1.00 0.00 H new ATOM 0 HD22 ASN A 125 15.090 -17.527 -1.370 1.00 0.00 H new ATOM 1333 N ARG A 126 12.058 -13.609 -0.362 1.00 0.00 N ATOM 1334 CA ARG A 126 12.495 -12.247 -0.078 1.00 0.00 C ATOM 1335 C ARG A 126 11.350 -11.417 0.495 1.00 0.00 C ATOM 1336 O ARG A 126 10.173 -11.688 0.254 1.00 0.00 O ATOM 1337 CB ARG A 126 13.033 -11.586 -1.348 1.00 0.00 C ATOM 1338 CG ARG A 126 14.311 -12.221 -1.871 1.00 0.00 C ATOM 1339 CD ARG A 126 15.466 -12.029 -0.901 1.00 0.00 C ATOM 1340 NE ARG A 126 15.798 -10.618 -0.719 1.00 0.00 N ATOM 1341 CZ ARG A 126 16.522 -9.916 -1.583 1.00 0.00 C ATOM 1342 NH1 ARG A 126 16.987 -10.490 -2.684 1.00 0.00 N ATOM 1343 NH2 ARG A 126 16.783 -8.636 -1.347 1.00 0.00 N ATOM 0 H ARG A 126 11.672 -13.742 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 126 13.292 -12.295 0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.269 -11.635 -2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.217 -10.531 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.148 -13.286 -2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.568 -11.783 -2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.207 -12.468 0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 126 16.342 -12.563 -1.270 1.00 0.00 H new ATOM 0 HE ARG A 126 15.455 -10.146 0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.789 -11.473 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.543 -9.948 -3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.427 -8.191 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.339 -8.098 -2.011 1.00 0.00 H new ATOM 1357 N PRO A 127 11.701 -10.383 1.273 1.00 0.00 N ATOM 1358 CA PRO A 127 10.717 -9.492 1.897 1.00 0.00 C ATOM 1359 C PRO A 127 10.004 -8.611 0.877 1.00 0.00 C ATOM 1360 O PRO A 127 10.362 -8.595 -0.301 1.00 0.00 O ATOM 1361 CB PRO A 127 11.563 -8.637 2.844 1.00 0.00 C ATOM 1362 CG PRO A 127 12.929 -8.653 2.250 1.00 0.00 C ATOM 1363 CD PRO A 127 13.084 -10.002 1.603 1.00 0.00 C ATOM 0 HA PRO A 127 9.923 -10.047 2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 127 11.174 -7.621 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.565 -9.048 3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 127 13.046 -7.854 1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.689 -8.498 3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.710 -9.951 0.712 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.549 -10.721 2.278 1.00 0.00 H new ATOM 1371 N ILE A 128 8.996 -7.878 1.337 1.00 0.00 N ATOM 1372 CA ILE A 128 8.235 -6.993 0.464 1.00 0.00 C ATOM 1373 C ILE A 128 8.971 -5.677 0.238 1.00 0.00 C ATOM 1374 O ILE A 128 9.476 -5.068 1.181 1.00 0.00 O ATOM 1375 CB ILE A 128 6.839 -6.695 1.043 1.00 0.00 C ATOM 1376 CG1 ILE A 128 6.033 -5.833 0.070 1.00 0.00 C ATOM 1377 CG2 ILE A 128 6.963 -6.004 2.393 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.574 -5.697 0.448 1.00 0.00 C ATOM 0 H ILE A 128 8.687 -7.879 2.309 1.00 0.00 H new ATOM 0 HA ILE A 128 8.121 -7.511 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 128 6.312 -7.638 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.481 -4.841 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.102 -6.265 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 128 5.969 -5.800 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.504 -6.650 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.506 -5.066 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.065 -5.073 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.110 -6.683 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.495 -5.237 1.433 1.00 0.00 H new ATOM 1390 N GLN A 129 9.027 -5.245 -1.017 1.00 0.00 N ATOM 1391 CA GLN A 129 9.701 -4.000 -1.367 1.00 0.00 C ATOM 1392 C GLN A 129 8.696 -2.867 -1.542 1.00 0.00 C ATOM 1393 O GLN A 129 7.688 -3.019 -2.232 1.00 0.00 O ATOM 1394 CB GLN A 129 10.515 -4.178 -2.650 1.00 0.00 C ATOM 1395 CG GLN A 129 11.871 -4.827 -2.425 1.00 0.00 C ATOM 1396 CD GLN A 129 11.764 -6.196 -1.783 1.00 0.00 C ATOM 1397 OE1 GLN A 129 11.233 -7.134 -2.379 1.00 0.00 O ATOM 1398 NE2 GLN A 129 12.268 -6.318 -0.560 1.00 0.00 N ATOM 0 H GLN A 129 8.614 -5.738 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 129 10.375 -3.740 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 129 9.943 -4.785 -3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 129 10.661 -3.204 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 129 12.389 -4.917 -3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.479 -4.180 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 129 12.699 -5.514 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 129 12.224 -7.216 -0.077 1.00 0.00 H new ATOM 1407 N VAL A 130 8.976 -1.730 -0.912 1.00 0.00 N ATOM 1408 CA VAL A 130 8.097 -0.571 -0.998 1.00 0.00 C ATOM 1409 C VAL A 130 8.898 0.718 -1.144 1.00 0.00 C ATOM 1410 O VAL A 130 9.608 1.128 -0.225 1.00 0.00 O ATOM 1411 CB VAL A 130 7.189 -0.461 0.242 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.266 0.742 0.123 1.00 0.00 C ATOM 1413 CG2 VAL A 130 6.389 -1.740 0.431 1.00 0.00 C ATOM 0 H VAL A 130 9.806 -1.588 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 130 7.476 -0.711 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 130 7.819 -0.320 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.632 0.803 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 130 6.862 1.651 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.641 0.635 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.753 -1.645 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 130 5.768 -1.914 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.071 -2.579 0.565 1.00 0.00 H new ATOM 1423 N LYS A 131 8.781 1.353 -2.305 1.00 0.00 N ATOM 1424 CA LYS A 131 9.493 2.597 -2.572 1.00 0.00 C ATOM 1425 C LYS A 131 8.665 3.517 -3.463 1.00 0.00 C ATOM 1426 O LYS A 131 7.845 3.071 -4.266 1.00 0.00 O ATOM 1427 CB LYS A 131 10.841 2.305 -3.235 1.00 0.00 C ATOM 1428 CG LYS A 131 11.582 1.133 -2.615 1.00 0.00 C ATOM 1429 CD LYS A 131 12.274 1.531 -1.322 1.00 0.00 C ATOM 1430 CE LYS A 131 13.462 2.444 -1.583 1.00 0.00 C ATOM 1431 NZ LYS A 131 14.278 2.657 -0.356 1.00 0.00 N ATOM 0 H LYS A 131 8.199 1.026 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 131 9.665 3.100 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.680 2.103 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.468 3.195 -3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.881 0.321 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.320 0.753 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.563 2.036 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 131 12.610 0.636 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 131 14.087 2.012 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.107 3.405 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 15.078 3.285 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 13.688 3.093 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.639 1.743 -0.016 1.00 0.00 H new ATOM 1445 N PRO A 132 8.884 4.833 -3.322 1.00 0.00 N ATOM 1446 CA PRO A 132 8.169 5.843 -4.108 1.00 0.00 C ATOM 1447 C PRO A 132 8.579 5.832 -5.577 1.00 0.00 C ATOM 1448 O PRO A 132 9.767 5.825 -5.899 1.00 0.00 O ATOM 1449 CB PRO A 132 8.578 7.162 -3.448 1.00 0.00 C ATOM 1450 CG PRO A 132 9.897 6.876 -2.817 1.00 0.00 C ATOM 1451 CD PRO A 132 9.846 5.436 -2.386 1.00 0.00 C ATOM 0 HA PRO A 132 7.093 5.669 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.656 7.964 -4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.844 7.478 -2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.711 7.044 -3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 132 10.073 7.533 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.825 4.961 -2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.516 5.338 -1.352 1.00 0.00 H new ATOM 1459 N ALA A 133 7.589 5.832 -6.463 1.00 0.00 N ATOM 1460 CA ALA A 133 7.848 5.825 -7.898 1.00 0.00 C ATOM 1461 C ALA A 133 8.614 7.074 -8.324 1.00 0.00 C ATOM 1462 O ALA A 133 8.038 8.156 -8.440 1.00 0.00 O ATOM 1463 CB ALA A 133 6.542 5.716 -8.670 1.00 0.00 C ATOM 0 H ALA A 133 6.600 5.837 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 133 8.465 4.956 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 133 6.751 5.712 -9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.033 4.792 -8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 133 5.904 6.566 -8.428 1.00 0.00 H new