USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 MET CE :methyl 166:sc= -2.44 (180deg=-3.45) USER MOD Set 1.2: A 88 ASN : amide:sc= -16.3! C(o=-19!,f=-20!) USER MOD Set 2.1: A 82 SER OG : rot 135:sc= -6.21! USER MOD Set 2.2: A 102 MET CE :methyl -178:sc= -3.22 (180deg=-2.98) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -168:sc= -9.16! (180deg=-9.48!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= -0.248 (180deg=-1.72!) USER MOD Single : A 53 THR OG1 : rot -170:sc= -0.431 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 99:sc= -0.306 USER MOD Single : A 73 ASN : amide:sc= 0.247 K(o=0.25,f=-1) USER MOD Single : A 74 GLN : amide:sc= -2.16! C(o=-2.2!,f=-3.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.143 X(o=0.14,f=-0.046) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -109:sc= -2.01! (180deg=-3.45) USER MOD Single : A 86 GLN : amide:sc= -8.72! C(o=-8.7!,f=-11!) USER MOD Single : A 90 THR OG1 : rot 92:sc= 0.785 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc=-0.00491 X(o=-0.0049,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.31) USER MOD Single : A 115 ASN : amide:sc= -3.18! K(o=-3.2!,f=-2.4) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N CYS A 33 -11.601 1.512 5.358 1.00 0.00 N ATOM 136 CA CYS A 33 -10.722 2.668 5.299 1.00 0.00 C ATOM 137 C CYS A 33 -10.360 2.921 3.834 1.00 0.00 C ATOM 138 O CYS A 33 -9.926 4.016 3.479 1.00 0.00 O ATOM 139 CB CYS A 33 -9.479 2.479 6.169 1.00 0.00 C ATOM 140 SG CYS A 33 -9.458 3.724 7.510 1.00 0.00 S ATOM 0 HA CYS A 33 -11.237 3.540 5.702 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.471 1.475 6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.580 2.574 5.559 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.399 3.553 8.244 1.00 0.00 H new ATOM 145 N LEU A 34 -10.552 1.890 3.023 1.00 0.00 N ATOM 146 CA LEU A 34 -10.250 1.987 1.605 1.00 0.00 C ATOM 147 C LEU A 34 -11.179 3.018 0.960 1.00 0.00 C ATOM 148 O LEU A 34 -10.965 3.425 -0.180 1.00 0.00 O ATOM 149 CB LEU A 34 -10.313 0.607 0.948 1.00 0.00 C ATOM 150 CG LEU A 34 -9.542 -0.509 1.657 1.00 0.00 C ATOM 151 CD1 LEU A 34 -9.057 -1.560 0.657 1.00 0.00 C ATOM 152 CD2 LEU A 34 -8.393 0.063 2.490 1.00 0.00 C ATOM 0 H LEU A 34 -10.913 0.984 3.321 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.229 2.339 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.359 0.309 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.934 0.693 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.222 -1.010 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.512 -2.342 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.914 -1.998 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.399 -1.090 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.861 -0.751 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.706 0.604 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.792 0.744 3.242 1.00 0.00 H new ATOM 163 N GLU A 35 -12.193 3.411 1.719 1.00 0.00 N ATOM 164 CA GLU A 35 -13.155 4.386 1.235 1.00 0.00 C ATOM 165 C GLU A 35 -12.584 5.800 1.356 1.00 0.00 C ATOM 166 O GLU A 35 -13.275 6.779 1.078 1.00 0.00 O ATOM 167 CB GLU A 35 -14.483 4.265 1.986 1.00 0.00 C ATOM 168 CG GLU A 35 -14.813 2.800 2.283 1.00 0.00 C ATOM 169 CD GLU A 35 -16.313 2.613 2.515 1.00 0.00 C ATOM 170 OE1 GLU A 35 -16.751 2.894 3.653 1.00 0.00 O ATOM 171 OE2 GLU A 35 -16.989 2.193 1.551 1.00 0.00 O ATOM 0 H GLU A 35 -12.368 3.072 2.665 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.351 4.183 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.430 4.826 2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.282 4.709 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.489 2.175 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.261 2.470 3.163 1.00 0.00 H new ATOM 176 N LYS A 36 -11.327 5.864 1.772 1.00 0.00 N ATOM 177 CA LYS A 36 -10.656 7.141 1.933 1.00 0.00 C ATOM 178 C LYS A 36 -9.750 7.393 0.726 1.00 0.00 C ATOM 179 O LYS A 36 -8.576 7.027 0.739 1.00 0.00 O ATOM 180 CB LYS A 36 -9.921 7.195 3.275 1.00 0.00 C ATOM 181 CG LYS A 36 -10.892 7.481 4.421 1.00 0.00 C ATOM 182 CD LYS A 36 -10.254 8.397 5.466 1.00 0.00 C ATOM 183 CE LYS A 36 -9.988 7.640 6.769 1.00 0.00 C ATOM 184 NZ LYS A 36 -9.599 8.581 7.845 1.00 0.00 N ATOM 0 H LYS A 36 -10.756 5.051 2.002 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.384 7.952 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.412 6.248 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.154 7.968 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.796 7.946 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.193 6.544 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.319 8.801 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.911 9.245 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.880 7.089 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.196 6.907 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.422 8.051 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.735 9.088 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.367 9.265 8.002 1.00 0.00 H new ATOM 194 N LYS A 37 -10.331 8.016 -0.289 1.00 0.00 N ATOM 195 CA LYS A 37 -9.591 8.321 -1.502 1.00 0.00 C ATOM 196 C LYS A 37 -8.244 8.942 -1.130 1.00 0.00 C ATOM 197 O LYS A 37 -7.980 9.207 0.042 1.00 0.00 O ATOM 198 CB LYS A 37 -10.432 9.191 -2.439 1.00 0.00 C ATOM 199 CG LYS A 37 -11.496 8.356 -3.155 1.00 0.00 C ATOM 200 CD LYS A 37 -12.789 8.298 -2.338 1.00 0.00 C ATOM 201 CE LYS A 37 -13.991 8.724 -3.184 1.00 0.00 C ATOM 202 NZ LYS A 37 -15.058 7.699 -3.119 1.00 0.00 N ATOM 0 H LYS A 37 -11.305 8.318 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.379 7.408 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.912 9.987 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.785 9.670 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.700 8.785 -4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.120 7.346 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.943 7.285 -1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.703 8.949 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.374 9.680 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.682 8.871 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.867 8.003 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.693 6.795 -3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.364 7.579 -2.132 1.00 0.00 H new ATOM 212 N VAL A 38 -7.426 9.159 -2.150 1.00 0.00 N ATOM 213 CA VAL A 38 -6.112 9.745 -1.945 1.00 0.00 C ATOM 214 C VAL A 38 -5.800 10.701 -3.098 1.00 0.00 C ATOM 215 O VAL A 38 -6.708 11.176 -3.778 1.00 0.00 O ATOM 216 CB VAL A 38 -5.066 8.640 -1.784 1.00 0.00 C ATOM 217 CG1 VAL A 38 -5.469 7.660 -0.681 1.00 0.00 C ATOM 218 CG2 VAL A 38 -4.832 7.910 -3.108 1.00 0.00 C ATOM 0 H VAL A 38 -7.648 8.939 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.093 10.329 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.127 9.108 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.708 6.885 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.561 8.194 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.425 7.202 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.084 7.130 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.766 7.461 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.479 8.619 -3.857 1.00 0.00 H new ATOM 228 N ASP A 39 -4.513 10.956 -3.280 1.00 0.00 N ATOM 229 CA ASP A 39 -4.069 11.848 -4.339 1.00 0.00 C ATOM 230 C ASP A 39 -2.540 11.865 -4.378 1.00 0.00 C ATOM 231 O ASP A 39 -1.904 12.598 -3.623 1.00 0.00 O ATOM 232 CB ASP A 39 -4.551 13.279 -4.091 1.00 0.00 C ATOM 233 CG ASP A 39 -5.077 14.007 -5.330 1.00 0.00 C ATOM 234 OD1 ASP A 39 -4.226 14.494 -6.106 1.00 0.00 O ATOM 235 OD2 ASP A 39 -6.317 14.061 -5.472 1.00 0.00 O ATOM 0 H ASP A 39 -3.763 10.561 -2.713 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.482 11.486 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.340 13.256 -3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.727 13.856 -3.671 1.00 0.00 H new ATOM 239 N MET A 40 -1.994 11.046 -5.265 1.00 0.00 N ATOM 240 CA MET A 40 -0.551 10.958 -5.414 1.00 0.00 C ATOM 241 C MET A 40 0.042 12.306 -5.828 1.00 0.00 C ATOM 242 O MET A 40 1.215 12.576 -5.578 1.00 0.00 O ATOM 243 CB MET A 40 -0.209 9.903 -6.468 1.00 0.00 C ATOM 244 CG MET A 40 -0.807 8.544 -6.098 1.00 0.00 C ATOM 245 SD MET A 40 0.152 7.790 -4.797 1.00 0.00 S ATOM 246 CE MET A 40 -0.578 8.582 -3.373 1.00 0.00 C ATOM 0 H MET A 40 -2.525 10.437 -5.888 1.00 0.00 H new ATOM 0 HA MET A 40 -0.123 10.675 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.588 10.219 -7.440 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.873 9.815 -6.561 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.840 8.668 -5.774 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.823 7.894 -6.973 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.038 8.391 -2.495 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.640 9.656 -3.546 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.579 8.183 -3.208 1.00 0.00 H new ATOM 254 N SER A 41 -0.797 13.117 -6.455 1.00 0.00 N ATOM 255 CA SER A 41 -0.372 14.431 -6.907 1.00 0.00 C ATOM 256 C SER A 41 -0.213 15.370 -5.711 1.00 0.00 C ATOM 257 O SER A 41 0.271 16.491 -5.857 1.00 0.00 O ATOM 258 CB SER A 41 -1.365 15.016 -7.914 1.00 0.00 C ATOM 259 OG SER A 41 -0.723 15.855 -8.870 1.00 0.00 O ATOM 0 H SER A 41 -1.770 12.889 -6.661 1.00 0.00 H new ATOM 0 HA SER A 41 0.591 14.325 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.878 14.205 -8.430 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.126 15.588 -7.383 1.00 0.00 H new ATOM 0 HG SER A 41 -1.390 16.208 -9.496 1.00 0.00 H new ATOM 264 N LYS A 42 -0.630 14.879 -4.554 1.00 0.00 N ATOM 265 CA LYS A 42 -0.540 15.659 -3.332 1.00 0.00 C ATOM 266 C LYS A 42 0.399 14.956 -2.350 1.00 0.00 C ATOM 267 O LYS A 42 1.157 15.610 -1.634 1.00 0.00 O ATOM 268 CB LYS A 42 -1.936 15.929 -2.765 1.00 0.00 C ATOM 269 CG LYS A 42 -2.949 16.162 -3.887 1.00 0.00 C ATOM 270 CD LYS A 42 -2.725 17.521 -4.553 1.00 0.00 C ATOM 271 CE LYS A 42 -3.905 18.459 -4.294 1.00 0.00 C ATOM 272 NZ LYS A 42 -4.926 18.315 -5.354 1.00 0.00 N ATOM 0 H LYS A 42 -1.032 13.949 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.110 16.639 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.253 15.084 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.905 16.801 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.862 15.370 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.961 16.112 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.808 17.970 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.591 17.386 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.347 18.237 -3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.555 19.491 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.719 18.959 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.505 18.550 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.273 17.335 -5.371 1.00 0.00 H new ATOM 282 N VAL A 43 0.317 13.634 -2.345 1.00 0.00 N ATOM 283 CA VAL A 43 1.150 12.835 -1.463 1.00 0.00 C ATOM 284 C VAL A 43 2.204 12.099 -2.292 1.00 0.00 C ATOM 285 O VAL A 43 1.976 11.790 -3.460 1.00 0.00 O ATOM 286 CB VAL A 43 0.277 11.893 -0.631 1.00 0.00 C ATOM 287 CG1 VAL A 43 -1.092 11.693 -1.285 1.00 0.00 C ATOM 288 CG2 VAL A 43 0.978 10.552 -0.406 1.00 0.00 C ATOM 0 H VAL A 43 -0.314 13.096 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 43 1.681 13.473 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 43 0.118 12.356 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.692 11.019 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.598 12.654 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.962 11.262 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.336 9.901 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.181 10.082 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.917 10.716 0.123 1.00 0.00 H new ATOM 298 N ASN A 44 3.335 11.837 -1.654 1.00 0.00 N ATOM 299 CA ASN A 44 4.425 11.143 -2.317 1.00 0.00 C ATOM 300 C ASN A 44 4.288 9.638 -2.076 1.00 0.00 C ATOM 301 O ASN A 44 4.225 9.193 -0.930 1.00 0.00 O ATOM 302 CB ASN A 44 5.780 11.588 -1.765 1.00 0.00 C ATOM 303 CG ASN A 44 6.369 12.723 -2.605 1.00 0.00 C ATOM 304 OD1 ASN A 44 5.693 13.360 -3.397 1.00 0.00 O ATOM 305 ND2 ASN A 44 7.664 12.939 -2.391 1.00 0.00 N ATOM 0 H ASN A 44 3.520 12.093 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 44 4.375 11.377 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.665 11.917 -0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.468 10.743 -1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.150 13.674 -2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.171 12.369 -1.714 1.00 0.00 H new ATOM 311 N LEU A 45 4.244 8.896 -3.172 1.00 0.00 N ATOM 312 CA LEU A 45 4.116 7.451 -3.094 1.00 0.00 C ATOM 313 C LEU A 45 5.509 6.822 -3.021 1.00 0.00 C ATOM 314 O LEU A 45 5.664 5.704 -2.533 1.00 0.00 O ATOM 315 CB LEU A 45 3.263 6.926 -4.250 1.00 0.00 C ATOM 316 CG LEU A 45 4.017 6.186 -5.357 1.00 0.00 C ATOM 317 CD1 LEU A 45 5.139 7.054 -5.930 1.00 0.00 C ATOM 318 CD2 LEU A 45 4.534 4.834 -4.861 1.00 0.00 C ATOM 0 H LEU A 45 4.295 9.269 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 45 3.589 7.164 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.506 6.256 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.735 7.768 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 45 3.319 5.984 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.659 6.505 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.715 7.968 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.843 7.309 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.066 4.330 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.211 4.989 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.694 4.219 -4.540 1.00 0.00 H new ATOM 329 N GLU A 46 6.486 7.567 -3.515 1.00 0.00 N ATOM 330 CA GLU A 46 7.860 7.097 -3.512 1.00 0.00 C ATOM 331 C GLU A 46 8.324 6.819 -2.081 1.00 0.00 C ATOM 332 O GLU A 46 9.037 5.848 -1.832 1.00 0.00 O ATOM 333 CB GLU A 46 8.785 8.102 -4.203 1.00 0.00 C ATOM 334 CG GLU A 46 9.331 7.534 -5.514 1.00 0.00 C ATOM 335 CD GLU A 46 10.811 7.881 -5.687 1.00 0.00 C ATOM 336 OE1 GLU A 46 11.172 9.022 -5.327 1.00 0.00 O ATOM 337 OE2 GLU A 46 11.548 6.997 -6.176 1.00 0.00 O ATOM 0 H GLU A 46 6.353 8.494 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 46 7.905 6.165 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.241 9.025 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.612 8.356 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.204 6.452 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.760 7.932 -6.353 1.00 0.00 H new ATOM 342 N VAL A 47 7.900 7.689 -1.176 1.00 0.00 N ATOM 343 CA VAL A 47 8.262 7.550 0.224 1.00 0.00 C ATOM 344 C VAL A 47 7.545 6.334 0.814 1.00 0.00 C ATOM 345 O VAL A 47 7.804 5.947 1.952 1.00 0.00 O ATOM 346 CB VAL A 47 7.955 8.847 0.976 1.00 0.00 C ATOM 347 CG1 VAL A 47 8.910 9.966 0.551 1.00 0.00 C ATOM 348 CG2 VAL A 47 6.498 9.266 0.777 1.00 0.00 C ATOM 0 H VAL A 47 7.309 8.493 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 47 9.333 7.377 0.325 1.00 0.00 H new ATOM 0 HB VAL A 47 8.107 8.661 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.671 10.877 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.936 9.670 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.804 10.148 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.308 10.190 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.307 9.425 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.840 8.482 1.151 1.00 0.00 H new ATOM 358 N ILE A 48 6.656 5.766 0.013 1.00 0.00 N ATOM 359 CA ILE A 48 5.898 4.602 0.440 1.00 0.00 C ATOM 360 C ILE A 48 6.349 3.382 -0.365 1.00 0.00 C ATOM 361 O ILE A 48 5.763 2.306 -0.248 1.00 0.00 O ATOM 362 CB ILE A 48 4.396 4.878 0.351 1.00 0.00 C ATOM 363 CG1 ILE A 48 4.118 6.380 0.277 1.00 0.00 C ATOM 364 CG2 ILE A 48 3.647 4.212 1.508 1.00 0.00 C ATOM 365 CD1 ILE A 48 4.343 7.047 1.635 1.00 0.00 C ATOM 0 H ILE A 48 6.443 6.090 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 48 6.096 4.382 1.489 1.00 0.00 H new ATOM 0 HB ILE A 48 4.021 4.436 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.768 6.837 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.091 6.548 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.581 4.424 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.807 3.134 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.019 4.603 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.138 8.115 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.674 6.604 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.377 6.898 1.947 1.00 0.00 H new ATOM 376 N LYS A 49 7.385 3.590 -1.165 1.00 0.00 N ATOM 377 CA LYS A 49 7.920 2.520 -1.989 1.00 0.00 C ATOM 378 C LYS A 49 8.619 1.494 -1.095 1.00 0.00 C ATOM 379 O LYS A 49 8.415 0.291 -1.247 1.00 0.00 O ATOM 380 CB LYS A 49 8.817 3.090 -3.089 1.00 0.00 C ATOM 381 CG LYS A 49 7.992 3.841 -4.135 1.00 0.00 C ATOM 382 CD LYS A 49 7.284 2.867 -5.079 1.00 0.00 C ATOM 383 CE LYS A 49 7.872 2.945 -6.489 1.00 0.00 C ATOM 384 NZ LYS A 49 7.814 4.333 -7.000 1.00 0.00 N ATOM 0 H LYS A 49 7.868 4.484 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 49 7.115 1.997 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.554 3.763 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.369 2.282 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.255 4.471 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.641 4.502 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.379 1.851 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.219 3.096 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.905 2.598 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.321 2.282 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.600 4.320 -8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.070 4.858 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.731 4.798 -6.845 1.00 0.00 H new ATOM 394 N PRO A 50 9.451 2.020 -0.157 1.00 0.00 N ATOM 395 CA PRO A 50 10.182 1.164 0.762 1.00 0.00 C ATOM 396 C PRO A 50 9.256 0.607 1.846 1.00 0.00 C ATOM 397 O PRO A 50 9.493 -0.480 2.370 1.00 0.00 O ATOM 398 CB PRO A 50 11.291 2.041 1.320 1.00 0.00 C ATOM 399 CG PRO A 50 10.863 3.475 1.052 1.00 0.00 C ATOM 400 CD PRO A 50 9.718 3.441 0.053 1.00 0.00 C ATOM 0 HA PRO A 50 10.598 0.282 0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.427 1.867 2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.243 1.821 0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.548 3.959 1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.697 4.055 0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.839 3.956 0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.991 3.935 -0.880 1.00 0.00 H new ATOM 405 N TRP A 51 8.223 1.379 2.150 1.00 0.00 N ATOM 406 CA TRP A 51 7.261 0.977 3.162 1.00 0.00 C ATOM 407 C TRP A 51 6.436 -0.182 2.597 1.00 0.00 C ATOM 408 O TRP A 51 6.243 -1.196 3.265 1.00 0.00 O ATOM 409 CB TRP A 51 6.401 2.163 3.604 1.00 0.00 C ATOM 410 CG TRP A 51 5.483 1.858 4.789 1.00 0.00 C ATOM 411 CD1 TRP A 51 5.679 2.157 6.081 1.00 0.00 C ATOM 412 CD2 TRP A 51 4.211 1.180 4.740 1.00 0.00 C ATOM 413 NE1 TRP A 51 4.629 1.722 6.865 1.00 0.00 N ATOM 414 CE2 TRP A 51 3.708 1.110 6.023 1.00 0.00 C ATOM 415 CE3 TRP A 51 3.507 0.644 3.647 1.00 0.00 C ATOM 416 CZ2 TRP A 51 2.481 0.511 6.334 1.00 0.00 C ATOM 417 CZ3 TRP A 51 2.283 0.049 3.974 1.00 0.00 C ATOM 418 CH2 TRP A 51 1.763 -0.030 5.262 1.00 0.00 C ATOM 0 H TRP A 51 8.031 2.281 1.713 1.00 0.00 H new ATOM 0 HA TRP A 51 7.770 0.635 4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.055 2.994 3.868 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.793 2.492 2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.548 2.673 6.461 1.00 0.00 H new ATOM 0 HE1 TRP A 51 4.545 1.830 7.876 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.881 0.688 2.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 2.109 0.469 7.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.702 -0.379 3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.809 -0.507 5.434 1.00 0.00 H new ATOM 428 N ILE A 52 5.972 0.008 1.370 1.00 0.00 N ATOM 429 CA ILE A 52 5.172 -1.009 0.707 1.00 0.00 C ATOM 430 C ILE A 52 6.021 -2.264 0.501 1.00 0.00 C ATOM 431 O ILE A 52 5.608 -3.365 0.865 1.00 0.00 O ATOM 432 CB ILE A 52 4.568 -0.455 -0.586 1.00 0.00 C ATOM 433 CG1 ILE A 52 3.200 0.177 -0.325 1.00 0.00 C ATOM 434 CG2 ILE A 52 4.503 -1.536 -1.666 1.00 0.00 C ATOM 435 CD1 ILE A 52 3.206 1.665 -0.682 1.00 0.00 C ATOM 0 H ILE A 52 6.134 0.850 0.818 1.00 0.00 H new ATOM 0 HA ILE A 52 4.325 -1.296 1.330 1.00 0.00 H new ATOM 0 HB ILE A 52 5.221 0.334 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.440 -0.338 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.932 0.052 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.070 -1.117 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.508 -1.900 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.884 -2.362 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.221 2.090 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.951 2.182 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.450 1.785 -1.737 1.00 0.00 H new ATOM 446 N THR A 53 7.193 -2.060 -0.084 1.00 0.00 N ATOM 447 CA THR A 53 8.103 -3.162 -0.343 1.00 0.00 C ATOM 448 C THR A 53 8.476 -3.864 0.965 1.00 0.00 C ATOM 449 O THR A 53 8.582 -5.089 1.008 1.00 0.00 O ATOM 450 CB THR A 53 9.311 -2.609 -1.102 1.00 0.00 C ATOM 451 OG1 THR A 53 8.804 -2.327 -2.403 1.00 0.00 O ATOM 452 CG2 THR A 53 10.387 -3.670 -1.342 1.00 0.00 C ATOM 0 H THR A 53 7.533 -1.147 -0.386 1.00 0.00 H new ATOM 0 HA THR A 53 7.633 -3.926 -0.963 1.00 0.00 H new ATOM 0 HB THR A 53 9.740 -1.777 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.548 -2.115 -3.005 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.222 -3.226 -1.884 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.739 -4.054 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.968 -4.487 -1.929 1.00 0.00 H new ATOM 460 N LYS A 54 8.665 -3.058 2.000 1.00 0.00 N ATOM 461 CA LYS A 54 9.022 -3.586 3.304 1.00 0.00 C ATOM 462 C LYS A 54 7.813 -4.299 3.911 1.00 0.00 C ATOM 463 O LYS A 54 7.960 -5.321 4.581 1.00 0.00 O ATOM 464 CB LYS A 54 9.593 -2.479 4.193 1.00 0.00 C ATOM 465 CG LYS A 54 9.991 -3.027 5.565 1.00 0.00 C ATOM 466 CD LYS A 54 9.921 -1.934 6.633 1.00 0.00 C ATOM 467 CE LYS A 54 9.475 -2.509 7.979 1.00 0.00 C ATOM 468 NZ LYS A 54 10.567 -3.300 8.590 1.00 0.00 N ATOM 0 H LYS A 54 8.577 -2.043 1.961 1.00 0.00 H new ATOM 0 HA LYS A 54 9.815 -4.328 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.462 -2.032 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.853 -1.688 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.330 -3.850 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.002 -3.432 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.898 -1.463 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.225 -1.156 6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.185 -1.700 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.596 -3.138 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.249 -3.684 9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.825 -4.083 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.395 -2.690 8.741 1.00 0.00 H new ATOM 478 N ARG A 55 6.643 -3.733 3.656 1.00 0.00 N ATOM 479 CA ARG A 55 5.407 -4.302 4.168 1.00 0.00 C ATOM 480 C ARG A 55 5.065 -5.591 3.418 1.00 0.00 C ATOM 481 O ARG A 55 4.789 -6.618 4.036 1.00 0.00 O ATOM 482 CB ARG A 55 4.247 -3.315 4.029 1.00 0.00 C ATOM 483 CG ARG A 55 4.022 -2.545 5.332 1.00 0.00 C ATOM 484 CD ARG A 55 3.389 -3.443 6.397 1.00 0.00 C ATOM 485 NE ARG A 55 4.313 -3.598 7.543 1.00 0.00 N ATOM 486 CZ ARG A 55 4.521 -2.654 8.472 1.00 0.00 C ATOM 487 NH1 ARG A 55 3.873 -1.483 8.395 1.00 0.00 N ATOM 488 NH2 ARG A 55 5.378 -2.881 9.477 1.00 0.00 N ATOM 0 H ARG A 55 6.524 -2.885 3.101 1.00 0.00 H new ATOM 0 HA ARG A 55 5.556 -4.522 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.456 -2.615 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.338 -3.852 3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.972 -2.156 5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.377 -1.687 5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.447 -3.012 6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.158 -4.419 5.971 1.00 0.00 H new ATOM 0 HE ARG A 55 4.823 -4.477 7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.221 -1.310 7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.031 -0.765 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.872 -3.772 9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.537 -2.163 10.184 1.00 0.00 H new ATOM 499 N VAL A 56 5.094 -5.494 2.097 1.00 0.00 N ATOM 500 CA VAL A 56 4.791 -6.639 1.256 1.00 0.00 C ATOM 501 C VAL A 56 5.830 -7.735 1.499 1.00 0.00 C ATOM 502 O VAL A 56 5.486 -8.912 1.595 1.00 0.00 O ATOM 503 CB VAL A 56 4.710 -6.206 -0.210 1.00 0.00 C ATOM 504 CG1 VAL A 56 3.574 -5.202 -0.423 1.00 0.00 C ATOM 505 CG2 VAL A 56 6.046 -5.632 -0.686 1.00 0.00 C ATOM 0 H VAL A 56 5.323 -4.640 1.588 1.00 0.00 H new ATOM 0 HA VAL A 56 3.816 -7.053 1.513 1.00 0.00 H new ATOM 0 HB VAL A 56 4.492 -7.090 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.538 -4.910 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.626 -5.660 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.748 -4.320 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.962 -5.332 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.306 -4.765 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.823 -6.390 -0.588 1.00 0.00 H new ATOM 515 N THR A 57 7.082 -7.309 1.590 1.00 0.00 N ATOM 516 CA THR A 57 8.174 -8.240 1.821 1.00 0.00 C ATOM 517 C THR A 57 8.046 -8.881 3.204 1.00 0.00 C ATOM 518 O THR A 57 8.286 -10.077 3.363 1.00 0.00 O ATOM 519 CB THR A 57 9.488 -7.485 1.621 1.00 0.00 C ATOM 520 OG1 THR A 57 9.487 -7.145 0.236 1.00 0.00 O ATOM 521 CG2 THR A 57 10.713 -8.387 1.780 1.00 0.00 C ATOM 0 H THR A 57 7.364 -6.332 1.508 1.00 0.00 H new ATOM 0 HA THR A 57 8.146 -9.067 1.111 1.00 0.00 H new ATOM 0 HB THR A 57 9.546 -6.664 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.191 -6.217 0.127 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.619 -7.800 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.722 -8.815 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.672 -9.189 1.043 1.00 0.00 H new ATOM 529 N GLU A 58 7.668 -8.056 4.170 1.00 0.00 N ATOM 530 CA GLU A 58 7.505 -8.527 5.536 1.00 0.00 C ATOM 531 C GLU A 58 6.237 -9.376 5.656 1.00 0.00 C ATOM 532 O GLU A 58 6.167 -10.278 6.489 1.00 0.00 O ATOM 533 CB GLU A 58 7.479 -7.358 6.520 1.00 0.00 C ATOM 534 CG GLU A 58 8.897 -6.908 6.876 1.00 0.00 C ATOM 535 CD GLU A 58 8.996 -6.525 8.353 1.00 0.00 C ATOM 536 OE1 GLU A 58 8.315 -5.547 8.734 1.00 0.00 O ATOM 537 OE2 GLU A 58 9.750 -7.217 9.070 1.00 0.00 O ATOM 0 H GLU A 58 7.470 -7.065 4.034 1.00 0.00 H new ATOM 0 HA GLU A 58 8.362 -9.151 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.928 -6.524 6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.949 -7.652 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.603 -7.709 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.179 -6.057 6.256 1.00 0.00 H new ATOM 542 N ILE A 59 5.266 -9.055 4.814 1.00 0.00 N ATOM 543 CA ILE A 59 4.005 -9.776 4.817 1.00 0.00 C ATOM 544 C ILE A 59 4.272 -11.263 4.580 1.00 0.00 C ATOM 545 O ILE A 59 3.747 -12.114 5.298 1.00 0.00 O ATOM 546 CB ILE A 59 3.033 -9.158 3.809 1.00 0.00 C ATOM 547 CG1 ILE A 59 2.361 -7.911 4.389 1.00 0.00 C ATOM 548 CG2 ILE A 59 2.009 -10.189 3.331 1.00 0.00 C ATOM 549 CD1 ILE A 59 1.944 -6.946 3.277 1.00 0.00 C ATOM 0 H ILE A 59 5.327 -8.305 4.125 1.00 0.00 H new ATOM 0 HA ILE A 59 3.519 -9.690 5.789 1.00 0.00 H new ATOM 0 HB ILE A 59 3.603 -8.841 2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.486 -8.202 4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.046 -7.409 5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.331 -9.724 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.526 -11.021 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.439 -10.558 4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.469 -6.069 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.825 -6.638 2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.241 -7.443 2.609 1.00 0.00 H new ATOM 560 N LEU A 60 5.088 -11.532 3.573 1.00 0.00 N ATOM 561 CA LEU A 60 5.433 -12.902 3.232 1.00 0.00 C ATOM 562 C LEU A 60 6.812 -13.235 3.804 1.00 0.00 C ATOM 563 O LEU A 60 6.996 -14.283 4.421 1.00 0.00 O ATOM 564 CB LEU A 60 5.322 -13.124 1.723 1.00 0.00 C ATOM 565 CG LEU A 60 4.984 -11.888 0.887 1.00 0.00 C ATOM 566 CD1 LEU A 60 6.252 -11.125 0.499 1.00 0.00 C ATOM 567 CD2 LEU A 60 4.146 -12.266 -0.336 1.00 0.00 C ATOM 0 H LEU A 60 5.521 -10.824 2.981 1.00 0.00 H new ATOM 0 HA LEU A 60 4.725 -13.596 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.267 -13.533 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.558 -13.881 1.542 1.00 0.00 H new ATOM 0 HG LEU A 60 4.379 -11.218 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.984 -10.251 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.774 -10.805 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.903 -11.775 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.919 -11.369 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.704 -12.966 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.216 -12.732 -0.010 1.00 0.00 H new ATOM 578 N GLY A 61 7.746 -12.323 3.578 1.00 0.00 N ATOM 579 CA GLY A 61 9.104 -12.506 4.062 1.00 0.00 C ATOM 580 C GLY A 61 10.119 -12.326 2.931 1.00 0.00 C ATOM 581 O GLY A 61 11.321 -12.245 3.178 1.00 0.00 O ATOM 0 H GLY A 61 7.589 -11.455 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.310 -11.790 4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.209 -13.501 4.494 1.00 0.00 H new ATOM 585 N PHE A 62 9.597 -12.271 1.715 1.00 0.00 N ATOM 586 CA PHE A 62 10.442 -12.103 0.545 1.00 0.00 C ATOM 587 C PHE A 62 9.960 -10.934 -0.317 1.00 0.00 C ATOM 588 O PHE A 62 8.781 -10.584 -0.292 1.00 0.00 O ATOM 589 CB PHE A 62 10.342 -13.395 -0.269 1.00 0.00 C ATOM 590 CG PHE A 62 8.920 -13.947 -0.388 1.00 0.00 C ATOM 591 CD1 PHE A 62 8.086 -13.472 -1.350 1.00 0.00 C ATOM 592 CD2 PHE A 62 8.491 -14.913 0.468 1.00 0.00 C ATOM 593 CE1 PHE A 62 6.765 -13.984 -1.460 1.00 0.00 C ATOM 594 CE2 PHE A 62 7.172 -15.425 0.358 1.00 0.00 C ATOM 595 CZ PHE A 62 6.337 -14.950 -0.604 1.00 0.00 C ATOM 0 H PHE A 62 8.599 -12.340 1.514 1.00 0.00 H new ATOM 0 HA PHE A 62 11.466 -11.894 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.735 -13.213 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.977 -14.152 0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.427 -12.706 -2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.155 -15.291 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.101 -13.606 -2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.832 -16.192 1.038 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.333 -15.340 -0.688 1.00 0.00 H new ATOM 604 N GLU A 63 10.897 -10.362 -1.059 1.00 0.00 N ATOM 605 CA GLU A 63 10.583 -9.239 -1.926 1.00 0.00 C ATOM 606 C GLU A 63 9.804 -9.718 -3.153 1.00 0.00 C ATOM 607 O GLU A 63 10.354 -10.409 -4.010 1.00 0.00 O ATOM 608 CB GLU A 63 11.853 -8.493 -2.339 1.00 0.00 C ATOM 609 CG GLU A 63 11.518 -7.112 -2.906 1.00 0.00 C ATOM 610 CD GLU A 63 12.640 -6.605 -3.814 1.00 0.00 C ATOM 611 OE1 GLU A 63 13.786 -6.544 -3.319 1.00 0.00 O ATOM 612 OE2 GLU A 63 12.327 -6.289 -4.982 1.00 0.00 O ATOM 0 H GLU A 63 11.874 -10.655 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 63 9.956 -8.541 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.513 -8.386 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.394 -9.075 -3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.585 -7.162 -3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.360 -6.408 -2.089 1.00 0.00 H new ATOM 617 N ASP A 64 8.538 -9.332 -3.199 1.00 0.00 N ATOM 618 CA ASP A 64 7.679 -9.714 -4.306 1.00 0.00 C ATOM 619 C ASP A 64 8.065 -8.908 -5.548 1.00 0.00 C ATOM 620 O ASP A 64 9.223 -8.522 -5.705 1.00 0.00 O ATOM 621 CB ASP A 64 6.211 -9.421 -3.991 1.00 0.00 C ATOM 622 CG ASP A 64 5.775 -9.759 -2.564 1.00 0.00 C ATOM 623 OD1 ASP A 64 5.891 -10.950 -2.203 1.00 0.00 O ATOM 624 OD2 ASP A 64 5.336 -8.819 -1.867 1.00 0.00 O ATOM 0 H ASP A 64 8.086 -8.758 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 64 7.805 -10.783 -4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.021 -8.363 -4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.587 -9.981 -4.688 1.00 0.00 H new ATOM 628 N ASP A 65 7.075 -8.678 -6.398 1.00 0.00 N ATOM 629 CA ASP A 65 7.299 -7.925 -7.621 1.00 0.00 C ATOM 630 C ASP A 65 5.950 -7.554 -8.239 1.00 0.00 C ATOM 631 O ASP A 65 5.687 -6.384 -8.509 1.00 0.00 O ATOM 632 CB ASP A 65 8.076 -8.755 -8.644 1.00 0.00 C ATOM 633 CG ASP A 65 9.497 -8.264 -8.928 1.00 0.00 C ATOM 634 OD1 ASP A 65 9.837 -7.177 -8.412 1.00 0.00 O ATOM 635 OD2 ASP A 65 10.212 -8.987 -9.655 1.00 0.00 O ATOM 0 H ASP A 65 6.116 -9.000 -6.264 1.00 0.00 H new ATOM 0 HA ASP A 65 7.874 -7.034 -7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.127 -9.785 -8.291 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.518 -8.766 -9.580 1.00 0.00 H new ATOM 639 N VAL A 66 5.129 -8.574 -8.444 1.00 0.00 N ATOM 640 CA VAL A 66 3.813 -8.370 -9.026 1.00 0.00 C ATOM 641 C VAL A 66 2.973 -7.503 -8.087 1.00 0.00 C ATOM 642 O VAL A 66 2.267 -6.600 -8.534 1.00 0.00 O ATOM 643 CB VAL A 66 3.162 -9.720 -9.335 1.00 0.00 C ATOM 644 CG1 VAL A 66 2.293 -10.190 -8.167 1.00 0.00 C ATOM 645 CG2 VAL A 66 2.350 -9.654 -10.630 1.00 0.00 C ATOM 0 H VAL A 66 5.350 -9.544 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 66 3.894 -7.838 -9.974 1.00 0.00 H new ATOM 0 HB VAL A 66 3.958 -10.451 -9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.842 -11.152 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.910 -10.296 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.507 -9.458 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.898 -10.626 -10.826 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.566 -8.903 -10.530 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.006 -9.385 -11.458 1.00 0.00 H new ATOM 655 N VAL A 67 3.077 -7.807 -6.801 1.00 0.00 N ATOM 656 CA VAL A 67 2.336 -7.067 -5.794 1.00 0.00 C ATOM 657 C VAL A 67 2.927 -5.662 -5.663 1.00 0.00 C ATOM 658 O VAL A 67 2.189 -4.680 -5.582 1.00 0.00 O ATOM 659 CB VAL A 67 2.333 -7.839 -4.473 1.00 0.00 C ATOM 660 CG1 VAL A 67 2.521 -9.338 -4.715 1.00 0.00 C ATOM 661 CG2 VAL A 67 3.401 -7.299 -3.520 1.00 0.00 C ATOM 0 H VAL A 67 3.664 -8.556 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 67 1.294 -6.956 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 67 1.361 -7.695 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.515 -9.864 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.709 -9.710 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.473 -9.509 -5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.377 -7.865 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.384 -7.399 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.204 -6.248 -3.311 1.00 0.00 H new ATOM 671 N ILE A 68 4.250 -5.610 -5.648 1.00 0.00 N ATOM 672 CA ILE A 68 4.949 -4.341 -5.529 1.00 0.00 C ATOM 673 C ILE A 68 4.606 -3.460 -6.731 1.00 0.00 C ATOM 674 O ILE A 68 4.298 -2.279 -6.574 1.00 0.00 O ATOM 675 CB ILE A 68 6.450 -4.570 -5.342 1.00 0.00 C ATOM 676 CG1 ILE A 68 6.728 -5.373 -4.070 1.00 0.00 C ATOM 677 CG2 ILE A 68 7.213 -3.245 -5.362 1.00 0.00 C ATOM 678 CD1 ILE A 68 8.062 -6.115 -4.171 1.00 0.00 C ATOM 0 H ILE A 68 4.858 -6.426 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 68 4.619 -3.807 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 68 6.812 -5.163 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.744 -4.704 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.922 -6.088 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.278 -3.436 -5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.052 -2.747 -6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.854 -2.606 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.236 -6.678 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.034 -6.801 -5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.869 -5.396 -4.313 1.00 0.00 H new ATOM 689 N GLU A 69 4.670 -4.068 -7.907 1.00 0.00 N ATOM 690 CA GLU A 69 4.370 -3.354 -9.137 1.00 0.00 C ATOM 691 C GLU A 69 2.924 -2.858 -9.123 1.00 0.00 C ATOM 692 O GLU A 69 2.644 -1.736 -9.545 1.00 0.00 O ATOM 693 CB GLU A 69 4.637 -4.233 -10.361 1.00 0.00 C ATOM 694 CG GLU A 69 5.940 -3.829 -11.051 1.00 0.00 C ATOM 695 CD GLU A 69 5.765 -3.788 -12.572 1.00 0.00 C ATOM 696 OE1 GLU A 69 5.282 -4.806 -13.113 1.00 0.00 O ATOM 697 OE2 GLU A 69 6.118 -2.742 -13.156 1.00 0.00 O ATOM 0 H GLU A 69 4.925 -5.047 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 69 5.030 -2.489 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.691 -5.279 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.808 -4.147 -11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.258 -2.850 -10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.728 -4.536 -10.791 1.00 0.00 H new ATOM 702 N PHE A 70 2.041 -3.716 -8.632 1.00 0.00 N ATOM 703 CA PHE A 70 0.630 -3.379 -8.558 1.00 0.00 C ATOM 704 C PHE A 70 0.414 -2.102 -7.743 1.00 0.00 C ATOM 705 O PHE A 70 -0.350 -1.225 -8.147 1.00 0.00 O ATOM 706 CB PHE A 70 -0.072 -4.542 -7.855 1.00 0.00 C ATOM 707 CG PHE A 70 -0.661 -5.582 -8.810 1.00 0.00 C ATOM 708 CD1 PHE A 70 -1.471 -5.186 -9.829 1.00 0.00 C ATOM 709 CD2 PHE A 70 -0.377 -6.901 -8.640 1.00 0.00 C ATOM 710 CE1 PHE A 70 -2.018 -6.151 -10.716 1.00 0.00 C ATOM 711 CE2 PHE A 70 -0.924 -7.865 -9.527 1.00 0.00 C ATOM 712 CZ PHE A 70 -1.734 -7.470 -10.545 1.00 0.00 C ATOM 0 H PHE A 70 2.276 -4.645 -8.281 1.00 0.00 H new ATOM 0 HA PHE A 70 0.235 -3.211 -9.560 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.639 -5.034 -7.191 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.871 -4.145 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.698 -4.139 -9.963 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.265 -7.215 -7.830 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.659 -5.837 -11.526 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.697 -8.912 -9.393 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.152 -8.204 -11.218 1.00 0.00 H new ATOM 721 N ILE A 71 1.100 -2.036 -6.612 1.00 0.00 N ATOM 722 CA ILE A 71 0.992 -0.881 -5.737 1.00 0.00 C ATOM 723 C ILE A 71 1.686 0.315 -6.392 1.00 0.00 C ATOM 724 O ILE A 71 1.132 1.414 -6.431 1.00 0.00 O ATOM 725 CB ILE A 71 1.526 -1.213 -4.343 1.00 0.00 C ATOM 726 CG1 ILE A 71 0.747 -2.373 -3.719 1.00 0.00 C ATOM 727 CG2 ILE A 71 1.525 0.026 -3.445 1.00 0.00 C ATOM 728 CD1 ILE A 71 1.690 -3.500 -3.290 1.00 0.00 C ATOM 0 H ILE A 71 1.733 -2.764 -6.281 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.053 -0.607 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 71 2.562 -1.537 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.185 -2.016 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.021 -2.755 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.909 -0.238 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.158 0.796 -3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.507 0.404 -3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.111 -4.312 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.232 -3.871 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.400 -3.121 -2.555 1.00 0.00 H new ATOM 739 N PHE A 72 2.888 0.063 -6.890 1.00 0.00 N ATOM 740 CA PHE A 72 3.662 1.106 -7.541 1.00 0.00 C ATOM 741 C PHE A 72 2.944 1.623 -8.790 1.00 0.00 C ATOM 742 O PHE A 72 2.797 2.830 -8.971 1.00 0.00 O ATOM 743 CB PHE A 72 4.994 0.480 -7.956 1.00 0.00 C ATOM 744 CG PHE A 72 5.905 0.119 -6.780 1.00 0.00 C ATOM 745 CD1 PHE A 72 5.432 0.191 -5.507 1.00 0.00 C ATOM 746 CD2 PHE A 72 7.187 -0.275 -7.008 1.00 0.00 C ATOM 747 CE1 PHE A 72 6.278 -0.143 -4.416 1.00 0.00 C ATOM 748 CE2 PHE A 72 8.032 -0.610 -5.917 1.00 0.00 C ATOM 749 CZ PHE A 72 7.559 -0.537 -4.644 1.00 0.00 C ATOM 0 H PHE A 72 3.345 -0.848 -6.856 1.00 0.00 H new ATOM 0 HA PHE A 72 3.801 1.946 -6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.795 -0.420 -8.538 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.521 1.173 -8.611 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.414 0.502 -5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.562 -0.333 -8.019 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.903 -0.084 -3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.050 -0.923 -6.098 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.201 -0.792 -3.814 1.00 0.00 H new ATOM 758 N ASN A 73 2.517 0.682 -9.620 1.00 0.00 N ATOM 759 CA ASN A 73 1.819 1.027 -10.847 1.00 0.00 C ATOM 760 C ASN A 73 0.536 1.785 -10.501 1.00 0.00 C ATOM 761 O ASN A 73 0.183 2.754 -11.174 1.00 0.00 O ATOM 762 CB ASN A 73 1.430 -0.227 -11.630 1.00 0.00 C ATOM 763 CG ASN A 73 2.597 -0.721 -12.488 1.00 0.00 C ATOM 764 OD1 ASN A 73 2.599 -0.610 -13.703 1.00 0.00 O ATOM 765 ND2 ASN A 73 3.586 -1.272 -11.791 1.00 0.00 N ATOM 0 H ASN A 73 2.641 -0.319 -9.467 1.00 0.00 H new ATOM 0 HA ASN A 73 2.486 1.639 -11.455 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.125 -1.012 -10.938 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.572 -0.011 -12.266 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.410 -1.633 -12.272 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.521 -1.334 -10.775 1.00 0.00 H new ATOM 771 N GLN A 74 -0.128 1.318 -9.454 1.00 0.00 N ATOM 772 CA GLN A 74 -1.363 1.939 -9.012 1.00 0.00 C ATOM 773 C GLN A 74 -1.072 3.286 -8.347 1.00 0.00 C ATOM 774 O GLN A 74 -1.823 4.244 -8.522 1.00 0.00 O ATOM 775 CB GLN A 74 -2.135 1.016 -8.067 1.00 0.00 C ATOM 776 CG GLN A 74 -2.952 -0.012 -8.850 1.00 0.00 C ATOM 777 CD GLN A 74 -2.347 -0.255 -10.235 1.00 0.00 C ATOM 778 OE1 GLN A 74 -2.591 0.473 -11.183 1.00 0.00 O ATOM 779 NE2 GLN A 74 -1.546 -1.315 -10.297 1.00 0.00 N ATOM 0 H GLN A 74 0.167 0.515 -8.899 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.990 2.115 -9.886 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.438 0.503 -7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.798 1.608 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.989 -0.950 -8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.979 0.338 -8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.385 -1.882 -9.465 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.093 -1.561 -11.177 1.00 0.00 H new ATOM 786 N LEU A 75 0.021 3.315 -7.598 1.00 0.00 N ATOM 787 CA LEU A 75 0.420 4.528 -6.906 1.00 0.00 C ATOM 788 C LEU A 75 1.114 5.470 -7.893 1.00 0.00 C ATOM 789 O LEU A 75 1.502 6.579 -7.531 1.00 0.00 O ATOM 790 CB LEU A 75 1.271 4.190 -5.678 1.00 0.00 C ATOM 791 CG LEU A 75 0.528 3.549 -4.505 1.00 0.00 C ATOM 792 CD1 LEU A 75 1.448 3.394 -3.293 1.00 0.00 C ATOM 793 CD2 LEU A 75 -0.741 4.334 -4.164 1.00 0.00 C ATOM 0 H LEU A 75 0.642 2.518 -7.456 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.456 5.053 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.070 3.517 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.745 5.106 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 75 0.217 2.548 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.895 2.936 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.295 2.761 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.810 4.374 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.250 3.857 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.475 5.356 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.403 4.350 -5.030 1.00 0.00 H new ATOM 804 N GLU A 76 1.246 4.992 -9.122 1.00 0.00 N ATOM 805 CA GLU A 76 1.887 5.777 -10.165 1.00 0.00 C ATOM 806 C GLU A 76 0.869 6.709 -10.826 1.00 0.00 C ATOM 807 O GLU A 76 1.235 7.551 -11.644 1.00 0.00 O ATOM 808 CB GLU A 76 2.555 4.870 -11.201 1.00 0.00 C ATOM 809 CG GLU A 76 3.985 4.523 -10.783 1.00 0.00 C ATOM 810 CD GLU A 76 4.992 4.977 -11.842 1.00 0.00 C ATOM 811 OE1 GLU A 76 5.209 6.205 -11.929 1.00 0.00 O ATOM 812 OE2 GLU A 76 5.520 4.086 -12.542 1.00 0.00 O ATOM 0 H GLU A 76 0.921 4.072 -9.419 1.00 0.00 H new ATOM 0 HA GLU A 76 2.667 6.387 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.974 3.955 -11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.566 5.366 -12.171 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.215 4.999 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.072 3.447 -10.631 1.00 0.00 H new ATOM 817 N VAL A 77 -0.387 6.527 -10.446 1.00 0.00 N ATOM 818 CA VAL A 77 -1.459 7.342 -10.993 1.00 0.00 C ATOM 819 C VAL A 77 -1.788 8.468 -10.012 1.00 0.00 C ATOM 820 O VAL A 77 -1.083 8.662 -9.022 1.00 0.00 O ATOM 821 CB VAL A 77 -2.668 6.463 -11.321 1.00 0.00 C ATOM 822 CG1 VAL A 77 -2.243 5.208 -12.086 1.00 0.00 C ATOM 823 CG2 VAL A 77 -3.440 6.096 -10.053 1.00 0.00 C ATOM 0 H VAL A 77 -0.686 5.828 -9.766 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.147 7.806 -11.929 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.334 7.038 -11.964 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.121 4.601 -12.306 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.758 5.497 -13.019 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.546 4.630 -11.479 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.294 5.471 -10.315 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.785 5.550 -9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.792 7.005 -9.565 1.00 0.00 H new ATOM 833 N LYS A 78 -2.860 9.184 -10.320 1.00 0.00 N ATOM 834 CA LYS A 78 -3.291 10.286 -9.478 1.00 0.00 C ATOM 835 C LYS A 78 -4.483 9.839 -8.630 1.00 0.00 C ATOM 836 O LYS A 78 -4.790 10.454 -7.609 1.00 0.00 O ATOM 837 CB LYS A 78 -3.572 11.530 -10.325 1.00 0.00 C ATOM 838 CG LYS A 78 -2.337 11.931 -11.134 1.00 0.00 C ATOM 839 CD LYS A 78 -2.357 11.288 -12.522 1.00 0.00 C ATOM 840 CE LYS A 78 -0.951 11.237 -13.123 1.00 0.00 C ATOM 841 NZ LYS A 78 -0.988 11.600 -14.558 1.00 0.00 N ATOM 0 H LYS A 78 -3.443 9.022 -11.141 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.497 10.570 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.406 11.335 -11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.872 12.355 -9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.299 13.016 -11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.435 11.628 -10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.764 10.279 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.017 11.854 -13.179 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.294 11.921 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.535 10.237 -13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.026 11.561 -14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.599 10.931 -15.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.365 12.563 -14.663 1.00 0.00 H new ATOM 851 N ASN A 79 -5.124 8.772 -9.083 1.00 0.00 N ATOM 852 CA ASN A 79 -6.276 8.234 -8.379 1.00 0.00 C ATOM 853 C ASN A 79 -6.194 6.707 -8.366 1.00 0.00 C ATOM 854 O ASN A 79 -6.773 6.043 -9.224 1.00 0.00 O ATOM 855 CB ASN A 79 -7.580 8.633 -9.071 1.00 0.00 C ATOM 856 CG ASN A 79 -8.378 9.616 -8.214 1.00 0.00 C ATOM 857 OD1 ASN A 79 -9.570 9.469 -8.001 1.00 0.00 O ATOM 858 ND2 ASN A 79 -7.657 10.626 -7.736 1.00 0.00 N ATOM 0 H ASN A 79 -4.867 8.265 -9.930 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.269 8.635 -7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.359 9.085 -10.038 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.180 7.744 -9.264 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.099 11.337 -7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.662 10.690 -7.952 1.00 0.00 H new ATOM 864 N PRO A 80 -5.449 6.179 -7.357 1.00 0.00 N ATOM 865 CA PRO A 80 -5.285 4.742 -7.222 1.00 0.00 C ATOM 866 C PRO A 80 -6.556 4.094 -6.670 1.00 0.00 C ATOM 867 O PRO A 80 -7.276 4.704 -5.881 1.00 0.00 O ATOM 868 CB PRO A 80 -4.084 4.569 -6.306 1.00 0.00 C ATOM 869 CG PRO A 80 -3.908 5.899 -5.592 1.00 0.00 C ATOM 870 CD PRO A 80 -4.749 6.934 -6.323 1.00 0.00 C ATOM 0 HA PRO A 80 -5.116 4.246 -8.178 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.250 3.762 -5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.192 4.311 -6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.221 5.818 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.859 6.194 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.450 7.424 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.126 7.716 -6.757 1.00 0.00 H new ATOM 875 N ASP A 81 -6.792 2.865 -7.105 1.00 0.00 N ATOM 876 CA ASP A 81 -7.964 2.127 -6.664 1.00 0.00 C ATOM 877 C ASP A 81 -7.560 1.149 -5.560 1.00 0.00 C ATOM 878 O ASP A 81 -7.273 -0.016 -5.832 1.00 0.00 O ATOM 879 CB ASP A 81 -8.571 1.319 -7.813 1.00 0.00 C ATOM 880 CG ASP A 81 -9.699 0.369 -7.410 1.00 0.00 C ATOM 881 OD1 ASP A 81 -10.689 0.873 -6.837 1.00 0.00 O ATOM 882 OD2 ASP A 81 -9.546 -0.842 -7.683 1.00 0.00 O ATOM 0 H ASP A 81 -6.192 2.362 -7.758 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.699 2.846 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.951 2.012 -8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.779 0.739 -8.287 1.00 0.00 H new ATOM 886 N SER A 82 -7.548 1.658 -4.337 1.00 0.00 N ATOM 887 CA SER A 82 -7.183 0.844 -3.190 1.00 0.00 C ATOM 888 C SER A 82 -7.777 -0.559 -3.335 1.00 0.00 C ATOM 889 O SER A 82 -7.181 -1.539 -2.889 1.00 0.00 O ATOM 890 CB SER A 82 -7.654 1.487 -1.885 1.00 0.00 C ATOM 891 OG SER A 82 -7.915 0.517 -0.875 1.00 0.00 O ATOM 0 H SER A 82 -7.785 2.625 -4.115 1.00 0.00 H new ATOM 0 HA SER A 82 -6.096 0.771 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.895 2.184 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.558 2.067 -2.072 1.00 0.00 H new ATOM 0 HG SER A 82 -7.523 0.814 -0.027 1.00 0.00 H new ATOM 896 N LYS A 83 -8.944 -0.612 -3.960 1.00 0.00 N ATOM 897 CA LYS A 83 -9.625 -1.878 -4.168 1.00 0.00 C ATOM 898 C LYS A 83 -8.721 -2.812 -4.976 1.00 0.00 C ATOM 899 O LYS A 83 -8.502 -3.959 -4.589 1.00 0.00 O ATOM 900 CB LYS A 83 -10.998 -1.650 -4.804 1.00 0.00 C ATOM 901 CG LYS A 83 -11.976 -1.043 -3.796 1.00 0.00 C ATOM 902 CD LYS A 83 -12.553 0.275 -4.316 1.00 0.00 C ATOM 903 CE LYS A 83 -13.196 1.076 -3.182 1.00 0.00 C ATOM 904 NZ LYS A 83 -14.544 1.543 -3.578 1.00 0.00 N ATOM 0 H LYS A 83 -9.435 0.202 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.819 -2.367 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.899 -0.988 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.393 -2.596 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.785 -1.746 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.467 -0.872 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.762 0.865 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.294 0.072 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.267 0.458 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.568 1.930 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.967 2.085 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.468 2.150 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.145 0.723 -3.796 1.00 0.00 H new ATOM 914 N MET A 84 -8.220 -2.285 -6.083 1.00 0.00 N ATOM 915 CA MET A 84 -7.343 -3.056 -6.949 1.00 0.00 C ATOM 916 C MET A 84 -6.007 -3.344 -6.261 1.00 0.00 C ATOM 917 O MET A 84 -5.384 -4.375 -6.513 1.00 0.00 O ATOM 918 CB MET A 84 -7.094 -2.282 -8.245 1.00 0.00 C ATOM 919 CG MET A 84 -7.920 -2.860 -9.396 1.00 0.00 C ATOM 920 SD MET A 84 -6.948 -4.050 -10.307 1.00 0.00 S ATOM 921 CE MET A 84 -6.990 -5.422 -9.167 1.00 0.00 C ATOM 0 H MET A 84 -8.404 -1.333 -6.401 1.00 0.00 H new ATOM 0 HA MET A 84 -7.828 -4.007 -7.171 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.349 -1.232 -8.101 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.034 -2.320 -8.498 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.820 -3.335 -9.006 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.245 -2.059 -10.060 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.650 -6.326 -9.673 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.336 -5.212 -8.321 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.010 -5.568 -8.810 1.00 0.00 H new ATOM 929 N MET A 85 -5.607 -2.415 -5.406 1.00 0.00 N ATOM 930 CA MET A 85 -4.355 -2.556 -4.680 1.00 0.00 C ATOM 931 C MET A 85 -4.391 -3.776 -3.758 1.00 0.00 C ATOM 932 O MET A 85 -3.512 -4.635 -3.825 1.00 0.00 O ATOM 933 CB MET A 85 -4.103 -1.295 -3.850 1.00 0.00 C ATOM 934 CG MET A 85 -2.615 -0.937 -3.837 1.00 0.00 C ATOM 935 SD MET A 85 -2.394 0.734 -3.249 1.00 0.00 S ATOM 936 CE MET A 85 -2.946 1.641 -4.684 1.00 0.00 C ATOM 0 H MET A 85 -6.127 -1.562 -5.199 1.00 0.00 H new ATOM 0 HA MET A 85 -3.550 -2.694 -5.402 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.677 -0.464 -4.260 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.452 -1.451 -2.829 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.071 -1.631 -3.197 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.200 -1.036 -4.840 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.091 2.116 -5.165 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.423 0.957 -5.386 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.661 2.405 -4.379 1.00 0.00 H new ATOM 944 N GLN A 86 -5.416 -3.815 -2.919 1.00 0.00 N ATOM 945 CA GLN A 86 -5.577 -4.916 -1.985 1.00 0.00 C ATOM 946 C GLN A 86 -5.990 -6.188 -2.730 1.00 0.00 C ATOM 947 O GLN A 86 -5.611 -7.290 -2.338 1.00 0.00 O ATOM 948 CB GLN A 86 -6.592 -4.565 -0.895 1.00 0.00 C ATOM 949 CG GLN A 86 -7.622 -5.684 -0.725 1.00 0.00 C ATOM 950 CD GLN A 86 -8.626 -5.342 0.378 1.00 0.00 C ATOM 951 OE1 GLN A 86 -8.491 -4.363 1.094 1.00 0.00 O ATOM 952 NE2 GLN A 86 -9.636 -6.200 0.475 1.00 0.00 N ATOM 0 H GLN A 86 -6.143 -3.102 -2.867 1.00 0.00 H new ATOM 0 HA GLN A 86 -4.619 -5.098 -1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.074 -4.396 0.049 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.099 -3.635 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.150 -5.843 -1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.114 -6.617 -0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.689 -6.999 -0.156 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.359 -6.059 1.181 1.00 0.00 H new ATOM 959 N ILE A 87 -6.759 -5.991 -3.790 1.00 0.00 N ATOM 960 CA ILE A 87 -7.226 -7.108 -4.592 1.00 0.00 C ATOM 961 C ILE A 87 -6.024 -7.821 -5.215 1.00 0.00 C ATOM 962 O ILE A 87 -6.000 -9.048 -5.298 1.00 0.00 O ATOM 963 CB ILE A 87 -8.261 -6.637 -5.617 1.00 0.00 C ATOM 964 CG1 ILE A 87 -9.652 -6.545 -4.988 1.00 0.00 C ATOM 965 CG2 ILE A 87 -8.250 -7.531 -6.858 1.00 0.00 C ATOM 966 CD1 ILE A 87 -10.522 -5.524 -5.726 1.00 0.00 C ATOM 0 H ILE A 87 -7.070 -5.075 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.741 -7.837 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.988 -5.633 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.132 -7.523 -5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.563 -6.261 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.994 -7.174 -7.570 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.263 -7.501 -7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.485 -8.556 -6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.506 -5.478 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.051 -4.542 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.629 -5.824 -6.769 1.00 0.00 H new ATOM 977 N ASN A 88 -5.057 -7.021 -5.638 1.00 0.00 N ATOM 978 CA ASN A 88 -3.854 -7.560 -6.252 1.00 0.00 C ATOM 979 C ASN A 88 -2.996 -8.232 -5.178 1.00 0.00 C ATOM 980 O ASN A 88 -2.388 -9.272 -5.425 1.00 0.00 O ATOM 981 CB ASN A 88 -3.021 -6.451 -6.898 1.00 0.00 C ATOM 982 CG ASN A 88 -3.564 -6.093 -8.282 1.00 0.00 C ATOM 983 OD1 ASN A 88 -3.820 -6.946 -9.117 1.00 0.00 O ATOM 984 ND2 ASN A 88 -3.725 -4.788 -8.480 1.00 0.00 N ATOM 0 H ASN A 88 -5.081 -6.004 -5.568 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.157 -8.275 -7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.029 -5.567 -6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.983 -6.773 -6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.082 -4.448 -9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.491 -4.127 -7.739 1.00 0.00 H new ATOM 990 N LEU A 89 -2.975 -7.609 -4.009 1.00 0.00 N ATOM 991 CA LEU A 89 -2.201 -8.134 -2.896 1.00 0.00 C ATOM 992 C LEU A 89 -2.767 -9.494 -2.483 1.00 0.00 C ATOM 993 O LEU A 89 -2.013 -10.423 -2.200 1.00 0.00 O ATOM 994 CB LEU A 89 -2.148 -7.117 -1.754 1.00 0.00 C ATOM 995 CG LEU A 89 -1.257 -5.895 -1.984 1.00 0.00 C ATOM 996 CD1 LEU A 89 -1.141 -5.053 -0.712 1.00 0.00 C ATOM 997 CD2 LEU A 89 0.113 -6.309 -2.525 1.00 0.00 C ATOM 0 H LEU A 89 -3.481 -6.746 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.166 -8.297 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.162 -6.770 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.804 -7.628 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.726 -5.268 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.502 -4.191 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.131 -4.711 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.707 -5.656 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.727 -5.421 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.603 -6.968 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.013 -6.832 -3.473 1.00 0.00 H new ATOM 1008 N THR A 90 -4.090 -9.567 -2.462 1.00 0.00 N ATOM 1009 CA THR A 90 -4.766 -10.798 -2.089 1.00 0.00 C ATOM 1010 C THR A 90 -4.346 -11.939 -3.017 1.00 0.00 C ATOM 1011 O THR A 90 -4.462 -13.110 -2.658 1.00 0.00 O ATOM 1012 CB THR A 90 -6.272 -10.531 -2.097 1.00 0.00 C ATOM 1013 OG1 THR A 90 -6.418 -9.337 -1.333 1.00 0.00 O ATOM 1014 CG2 THR A 90 -7.057 -11.579 -1.305 1.00 0.00 C ATOM 0 H THR A 90 -4.712 -8.793 -2.697 1.00 0.00 H new ATOM 0 HA THR A 90 -4.483 -11.117 -1.086 1.00 0.00 H new ATOM 0 HB THR A 90 -6.631 -10.510 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.396 -8.561 -1.931 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.120 -11.342 -1.343 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.889 -12.564 -1.739 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.722 -11.578 -0.268 1.00 0.00 H new ATOM 1022 N GLY A 91 -3.865 -11.558 -4.191 1.00 0.00 N ATOM 1023 CA GLY A 91 -3.427 -12.535 -5.173 1.00 0.00 C ATOM 1024 C GLY A 91 -2.080 -13.144 -4.778 1.00 0.00 C ATOM 1025 O GLY A 91 -1.658 -14.149 -5.348 1.00 0.00 O ATOM 0 H GLY A 91 -3.769 -10.586 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.174 -13.324 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.343 -12.061 -6.151 1.00 0.00 H new ATOM 1029 N PHE A 92 -1.443 -12.510 -3.805 1.00 0.00 N ATOM 1030 CA PHE A 92 -0.152 -12.976 -3.327 1.00 0.00 C ATOM 1031 C PHE A 92 -0.182 -13.219 -1.816 1.00 0.00 C ATOM 1032 O PHE A 92 0.229 -14.279 -1.347 1.00 0.00 O ATOM 1033 CB PHE A 92 0.863 -11.873 -3.633 1.00 0.00 C ATOM 1034 CG PHE A 92 1.898 -12.257 -4.693 1.00 0.00 C ATOM 1035 CD1 PHE A 92 1.491 -12.754 -5.892 1.00 0.00 C ATOM 1036 CD2 PHE A 92 3.224 -12.102 -4.436 1.00 0.00 C ATOM 1037 CE1 PHE A 92 2.451 -13.111 -6.875 1.00 0.00 C ATOM 1038 CE2 PHE A 92 4.185 -12.459 -5.419 1.00 0.00 C ATOM 1039 CZ PHE A 92 3.778 -12.955 -6.618 1.00 0.00 C ATOM 0 H PHE A 92 -1.797 -11.677 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 92 0.108 -13.916 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.328 -10.984 -3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.382 -11.606 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.438 -12.877 -6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.547 -11.707 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.128 -13.506 -7.827 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.238 -12.337 -5.214 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.508 -13.225 -7.366 1.00 0.00 H new ATOM 1048 N LEU A 93 -0.674 -12.221 -1.098 1.00 0.00 N ATOM 1049 CA LEU A 93 -0.764 -12.313 0.349 1.00 0.00 C ATOM 1050 C LEU A 93 -1.729 -13.438 0.725 1.00 0.00 C ATOM 1051 O LEU A 93 -2.043 -14.294 -0.101 1.00 0.00 O ATOM 1052 CB LEU A 93 -1.136 -10.957 0.950 1.00 0.00 C ATOM 1053 CG LEU A 93 -0.415 -9.742 0.364 1.00 0.00 C ATOM 1054 CD1 LEU A 93 -0.554 -8.526 1.282 1.00 0.00 C ATOM 1055 CD2 LEU A 93 1.050 -10.067 0.062 1.00 0.00 C ATOM 0 H LEU A 93 -1.015 -11.344 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 93 0.206 -12.569 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.209 -10.811 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.938 -10.990 2.021 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.891 -9.487 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.032 -7.676 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.609 -8.281 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.120 -8.754 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.540 -9.186 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.554 -10.362 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.101 -10.884 -0.658 1.00 0.00 H new ATOM 1066 N ASN A 94 -2.174 -13.402 1.973 1.00 0.00 N ATOM 1067 CA ASN A 94 -3.097 -14.409 2.468 1.00 0.00 C ATOM 1068 C ASN A 94 -4.532 -13.900 2.308 1.00 0.00 C ATOM 1069 O ASN A 94 -5.486 -14.648 2.517 1.00 0.00 O ATOM 1070 CB ASN A 94 -2.859 -14.691 3.953 1.00 0.00 C ATOM 1071 CG ASN A 94 -1.624 -15.571 4.152 1.00 0.00 C ATOM 1072 OD1 ASN A 94 -1.711 -16.775 4.336 1.00 0.00 O ATOM 1073 ND2 ASN A 94 -0.473 -14.908 4.105 1.00 0.00 N ATOM 0 H ASN A 94 -1.912 -12.691 2.656 1.00 0.00 H new ATOM 0 HA ASN A 94 -2.938 -15.324 1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.730 -13.751 4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.733 -15.184 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.408 -15.407 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.471 -13.900 3.947 1.00 0.00 H new ATOM 1079 N GLY A 95 -4.639 -12.632 1.939 1.00 0.00 N ATOM 1080 CA GLY A 95 -5.941 -12.016 1.749 1.00 0.00 C ATOM 1081 C GLY A 95 -6.270 -11.061 2.898 1.00 0.00 C ATOM 1082 O GLY A 95 -6.611 -9.903 2.668 1.00 0.00 O ATOM 0 H GLY A 95 -3.846 -12.015 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.955 -11.472 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.707 -12.789 1.684 1.00 0.00 H new ATOM 1086 N LYS A 96 -6.154 -11.584 4.110 1.00 0.00 N ATOM 1087 CA LYS A 96 -6.434 -10.792 5.296 1.00 0.00 C ATOM 1088 C LYS A 96 -5.351 -9.725 5.459 1.00 0.00 C ATOM 1089 O LYS A 96 -5.627 -8.622 5.928 1.00 0.00 O ATOM 1090 CB LYS A 96 -6.594 -11.698 6.519 1.00 0.00 C ATOM 1091 CG LYS A 96 -7.956 -12.396 6.510 1.00 0.00 C ATOM 1092 CD LYS A 96 -8.473 -12.606 7.934 1.00 0.00 C ATOM 1093 CE LYS A 96 -9.965 -12.951 7.930 1.00 0.00 C ATOM 1094 NZ LYS A 96 -10.380 -13.468 9.252 1.00 0.00 N ATOM 0 H LYS A 96 -5.870 -12.546 4.296 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.384 -10.268 5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.799 -12.444 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.490 -11.108 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.671 -11.799 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.873 -13.358 6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.912 -13.408 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.306 -11.704 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.549 -12.065 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.170 -13.696 7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.394 -13.697 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.836 -14.325 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.202 -12.746 9.979 1.00 0.00 H new ATOM 1104 N ASN A 97 -4.141 -10.089 5.062 1.00 0.00 N ATOM 1105 CA ASN A 97 -3.014 -9.176 5.158 1.00 0.00 C ATOM 1106 C ASN A 97 -3.177 -8.063 4.120 1.00 0.00 C ATOM 1107 O ASN A 97 -2.733 -6.937 4.339 1.00 0.00 O ATOM 1108 CB ASN A 97 -1.696 -9.897 4.875 1.00 0.00 C ATOM 1109 CG ASN A 97 -0.957 -10.220 6.177 1.00 0.00 C ATOM 1110 OD1 ASN A 97 -0.957 -11.341 6.658 1.00 0.00 O ATOM 1111 ND2 ASN A 97 -0.332 -9.179 6.716 1.00 0.00 N ATOM 0 H ASN A 97 -3.916 -11.004 4.673 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.993 -8.770 6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.892 -10.818 4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.066 -9.275 4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.189 -9.291 7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.373 -8.267 6.260 1.00 0.00 H new ATOM 1117 N ALA A 98 -3.812 -8.417 3.013 1.00 0.00 N ATOM 1118 CA ALA A 98 -4.038 -7.462 1.941 1.00 0.00 C ATOM 1119 C ALA A 98 -4.987 -6.368 2.431 1.00 0.00 C ATOM 1120 O ALA A 98 -4.763 -5.186 2.174 1.00 0.00 O ATOM 1121 CB ALA A 98 -4.577 -8.195 0.710 1.00 0.00 C ATOM 0 H ALA A 98 -4.178 -9.352 2.835 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.104 -6.981 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.747 -7.479 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.852 -8.941 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.516 -8.687 0.962 1.00 0.00 H new ATOM 1127 N ARG A 99 -6.028 -6.800 3.128 1.00 0.00 N ATOM 1128 CA ARG A 99 -7.013 -5.871 3.656 1.00 0.00 C ATOM 1129 C ARG A 99 -6.398 -5.023 4.772 1.00 0.00 C ATOM 1130 O ARG A 99 -6.638 -3.819 4.845 1.00 0.00 O ATOM 1131 CB ARG A 99 -8.233 -6.614 4.203 1.00 0.00 C ATOM 1132 CG ARG A 99 -9.456 -6.392 3.310 1.00 0.00 C ATOM 1133 CD ARG A 99 -10.746 -6.412 4.131 1.00 0.00 C ATOM 1134 NE ARG A 99 -10.645 -5.455 5.257 1.00 0.00 N ATOM 1135 CZ ARG A 99 -11.389 -5.523 6.369 1.00 0.00 C ATOM 1136 NH1 ARG A 99 -12.291 -6.502 6.514 1.00 0.00 N ATOM 1137 NH2 ARG A 99 -11.229 -4.610 7.338 1.00 0.00 N ATOM 0 H ARG A 99 -6.211 -7.781 3.339 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.332 -5.225 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.015 -7.680 4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.449 -6.270 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.365 -5.437 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.496 -7.166 2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.594 -6.152 3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.929 -7.417 4.512 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.967 -4.697 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.412 -7.197 5.777 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.857 -6.553 7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.541 -3.865 7.228 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.795 -4.661 8.185 1.00 0.00 H new ATOM 1148 N GLU A 100 -5.618 -5.686 5.612 1.00 0.00 N ATOM 1149 CA GLU A 100 -4.966 -5.008 6.721 1.00 0.00 C ATOM 1150 C GLU A 100 -3.817 -4.137 6.209 1.00 0.00 C ATOM 1151 O GLU A 100 -3.577 -3.050 6.734 1.00 0.00 O ATOM 1152 CB GLU A 100 -4.470 -6.013 7.763 1.00 0.00 C ATOM 1153 CG GLU A 100 -5.643 -6.650 8.512 1.00 0.00 C ATOM 1154 CD GLU A 100 -5.375 -6.687 10.017 1.00 0.00 C ATOM 1155 OE1 GLU A 100 -4.996 -5.623 10.554 1.00 0.00 O ATOM 1156 OE2 GLU A 100 -5.558 -7.779 10.599 1.00 0.00 O ATOM 0 H GLU A 100 -5.422 -6.685 5.548 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.697 -4.362 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.882 -6.789 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.810 -5.512 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.555 -6.086 8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.808 -7.662 8.143 1.00 0.00 H new ATOM 1161 N PHE A 101 -3.138 -4.646 5.192 1.00 0.00 N ATOM 1162 CA PHE A 101 -2.021 -3.928 4.604 1.00 0.00 C ATOM 1163 C PHE A 101 -2.465 -2.563 4.073 1.00 0.00 C ATOM 1164 O PHE A 101 -1.817 -1.550 4.336 1.00 0.00 O ATOM 1165 CB PHE A 101 -1.509 -4.774 3.437 1.00 0.00 C ATOM 1166 CG PHE A 101 -0.637 -4.002 2.444 1.00 0.00 C ATOM 1167 CD1 PHE A 101 -1.217 -3.282 1.447 1.00 0.00 C ATOM 1168 CD2 PHE A 101 0.718 -4.038 2.559 1.00 0.00 C ATOM 1169 CE1 PHE A 101 -0.408 -2.566 0.526 1.00 0.00 C ATOM 1170 CE2 PHE A 101 1.526 -3.322 1.636 1.00 0.00 C ATOM 1171 CZ PHE A 101 0.947 -2.602 0.640 1.00 0.00 C ATOM 0 H PHE A 101 -3.340 -5.548 4.760 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.249 -3.762 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.936 -5.612 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.362 -5.195 2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.293 -3.255 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.179 -4.610 3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.868 -1.993 -0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.602 -3.350 1.726 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.563 -2.058 -0.061 1.00 0.00 H new ATOM 1180 N MET A 102 -3.564 -2.579 3.336 1.00 0.00 N ATOM 1181 CA MET A 102 -4.102 -1.356 2.765 1.00 0.00 C ATOM 1182 C MET A 102 -4.534 -0.383 3.863 1.00 0.00 C ATOM 1183 O MET A 102 -4.526 0.831 3.661 1.00 0.00 O ATOM 1184 CB MET A 102 -5.302 -1.690 1.877 1.00 0.00 C ATOM 1185 CG MET A 102 -4.848 -2.252 0.528 1.00 0.00 C ATOM 1186 SD MET A 102 -3.758 -1.091 -0.279 1.00 0.00 S ATOM 1187 CE MET A 102 -4.931 0.177 -0.726 1.00 0.00 C ATOM 0 H MET A 102 -4.098 -3.421 3.120 1.00 0.00 H new ATOM 0 HA MET A 102 -3.321 -0.881 2.171 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.941 -2.416 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.902 -0.794 1.718 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.336 -3.203 0.674 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.714 -2.450 -0.103 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.420 0.968 -1.275 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.711 -0.254 -1.353 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.379 0.592 0.177 1.00 0.00 H new ATOM 1195 N GLY A 103 -4.903 -0.951 5.002 1.00 0.00 N ATOM 1196 CA GLY A 103 -5.337 -0.150 6.133 1.00 0.00 C ATOM 1197 C GLY A 103 -4.139 0.427 6.890 1.00 0.00 C ATOM 1198 O GLY A 103 -4.282 0.904 8.014 1.00 0.00 O ATOM 0 H GLY A 103 -4.910 -1.958 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.976 0.661 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.937 -0.761 6.807 1.00 0.00 H new ATOM 1202 N GLU A 104 -2.984 0.363 6.243 1.00 0.00 N ATOM 1203 CA GLU A 104 -1.762 0.871 6.841 1.00 0.00 C ATOM 1204 C GLU A 104 -1.046 1.810 5.866 1.00 0.00 C ATOM 1205 O GLU A 104 -0.393 2.764 6.286 1.00 0.00 O ATOM 1206 CB GLU A 104 -0.845 -0.273 7.274 1.00 0.00 C ATOM 1207 CG GLU A 104 -1.317 -0.883 8.595 1.00 0.00 C ATOM 1208 CD GLU A 104 -0.171 -0.951 9.608 1.00 0.00 C ATOM 1209 OE1 GLU A 104 0.491 0.094 9.785 1.00 0.00 O ATOM 1210 OE2 GLU A 104 0.016 -2.045 10.181 1.00 0.00 O ATOM 0 H GLU A 104 -2.869 -0.033 5.310 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.026 1.437 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.826 -1.041 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.175 0.095 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.133 -0.288 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.710 -1.884 8.418 1.00 0.00 H new ATOM 1215 N LEU A 105 -1.191 1.504 4.585 1.00 0.00 N ATOM 1216 CA LEU A 105 -0.566 2.308 3.549 1.00 0.00 C ATOM 1217 C LEU A 105 -1.586 3.306 2.998 1.00 0.00 C ATOM 1218 O LEU A 105 -1.234 4.432 2.652 1.00 0.00 O ATOM 1219 CB LEU A 105 0.056 1.410 2.477 1.00 0.00 C ATOM 1220 CG LEU A 105 -0.340 1.717 1.032 1.00 0.00 C ATOM 1221 CD1 LEU A 105 -1.806 1.358 0.777 1.00 0.00 C ATOM 1222 CD2 LEU A 105 -0.037 3.174 0.678 1.00 0.00 C ATOM 0 H LEU A 105 -1.732 0.711 4.241 1.00 0.00 H new ATOM 0 HA LEU A 105 0.258 2.890 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.141 1.479 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.214 0.377 2.695 1.00 0.00 H new ATOM 0 HG LEU A 105 0.264 1.093 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.062 1.586 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.958 0.295 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.444 1.937 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.328 3.366 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.597 3.834 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.030 3.363 0.795 1.00 0.00 H new ATOM 1233 N TRP A 106 -2.831 2.856 2.935 1.00 0.00 N ATOM 1234 CA TRP A 106 -3.905 3.696 2.432 1.00 0.00 C ATOM 1235 C TRP A 106 -4.017 4.918 3.345 1.00 0.00 C ATOM 1236 O TRP A 106 -4.185 6.040 2.869 1.00 0.00 O ATOM 1237 CB TRP A 106 -5.213 2.909 2.326 1.00 0.00 C ATOM 1238 CG TRP A 106 -6.266 3.567 1.433 1.00 0.00 C ATOM 1239 CD1 TRP A 106 -7.480 4.018 1.782 1.00 0.00 C ATOM 1240 CD2 TRP A 106 -6.149 3.835 0.019 1.00 0.00 C ATOM 1241 NE1 TRP A 106 -8.150 4.553 0.701 1.00 0.00 N ATOM 1242 CE2 TRP A 106 -7.315 4.439 -0.404 1.00 0.00 C ATOM 1243 CE3 TRP A 106 -5.093 3.576 -0.871 1.00 0.00 C ATOM 1244 CZ2 TRP A 106 -7.536 4.834 -1.730 1.00 0.00 C ATOM 1245 CZ3 TRP A 106 -5.329 3.976 -2.191 1.00 0.00 C ATOM 1246 CH2 TRP A 106 -6.498 4.585 -2.635 1.00 0.00 C ATOM 0 H TRP A 106 -3.120 1.921 3.224 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.686 4.036 1.420 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -4.995 1.913 1.940 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.629 2.780 3.325 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.882 3.969 2.783 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.086 4.958 0.711 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.172 3.105 -0.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.458 5.305 -2.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.548 3.799 -2.916 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.604 4.864 -3.673 1.00 0.00 H new ATOM 1256 N PRO A 107 -3.915 4.653 4.675 1.00 0.00 N ATOM 1257 CA PRO A 107 -4.002 5.720 5.659 1.00 0.00 C ATOM 1258 C PRO A 107 -2.714 6.544 5.690 1.00 0.00 C ATOM 1259 O PRO A 107 -2.736 7.724 6.039 1.00 0.00 O ATOM 1260 CB PRO A 107 -4.289 5.016 6.976 1.00 0.00 C ATOM 1261 CG PRO A 107 -3.892 3.564 6.768 1.00 0.00 C ATOM 1262 CD PRO A 107 -3.715 3.338 5.276 1.00 0.00 C ATOM 0 HA PRO A 107 -4.785 6.442 5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.719 5.464 7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.343 5.098 7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.967 3.341 7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.657 2.898 7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.723 2.946 5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.437 2.615 4.897 1.00 0.00 H new ATOM 1267 N LEU A 108 -1.622 5.891 5.321 1.00 0.00 N ATOM 1268 CA LEU A 108 -0.327 6.549 5.301 1.00 0.00 C ATOM 1269 C LEU A 108 -0.387 7.756 4.363 1.00 0.00 C ATOM 1270 O LEU A 108 0.108 8.832 4.696 1.00 0.00 O ATOM 1271 CB LEU A 108 0.776 5.549 4.948 1.00 0.00 C ATOM 1272 CG LEU A 108 1.933 5.448 5.945 1.00 0.00 C ATOM 1273 CD1 LEU A 108 1.827 4.168 6.777 1.00 0.00 C ATOM 1274 CD2 LEU A 108 3.282 5.558 5.234 1.00 0.00 C ATOM 0 H LEU A 108 -1.608 4.913 5.033 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.077 6.928 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.325 4.562 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.184 5.817 3.974 1.00 0.00 H new ATOM 0 HG LEU A 108 1.864 6.289 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.660 4.119 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.888 4.170 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.857 3.301 6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.086 5.483 5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.377 4.752 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.346 6.518 4.722 1.00 0.00 H new ATOM 1285 N LEU A 109 -0.997 7.537 3.206 1.00 0.00 N ATOM 1286 CA LEU A 109 -1.128 8.593 2.218 1.00 0.00 C ATOM 1287 C LEU A 109 -2.139 9.628 2.714 1.00 0.00 C ATOM 1288 O LEU A 109 -2.006 10.817 2.430 1.00 0.00 O ATOM 1289 CB LEU A 109 -1.472 8.005 0.847 1.00 0.00 C ATOM 1290 CG LEU A 109 -0.699 6.748 0.444 1.00 0.00 C ATOM 1291 CD1 LEU A 109 -1.189 6.211 -0.902 1.00 0.00 C ATOM 1292 CD2 LEU A 109 0.809 7.008 0.444 1.00 0.00 C ATOM 0 H LEU A 109 -1.405 6.643 2.932 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.178 9.112 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.537 7.774 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.300 8.771 0.091 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.892 5.975 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.623 5.317 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.248 5.962 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.046 6.970 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.335 6.098 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.041 7.803 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.126 7.308 1.443 1.00 0.00 H new ATOM 1303 N LEU A 110 -3.127 9.139 3.448 1.00 0.00 N ATOM 1304 CA LEU A 110 -4.161 10.007 3.986 1.00 0.00 C ATOM 1305 C LEU A 110 -3.506 11.154 4.758 1.00 0.00 C ATOM 1306 O LEU A 110 -3.877 12.314 4.585 1.00 0.00 O ATOM 1307 CB LEU A 110 -5.160 9.198 4.817 1.00 0.00 C ATOM 1308 CG LEU A 110 -6.386 8.673 4.067 1.00 0.00 C ATOM 1309 CD1 LEU A 110 -6.108 8.570 2.567 1.00 0.00 C ATOM 1310 CD2 LEU A 110 -6.860 7.343 4.656 1.00 0.00 C ATOM 0 H LEU A 110 -3.234 8.152 3.683 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.741 10.455 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.635 8.349 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.503 9.820 5.643 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.198 9.389 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.995 8.194 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.854 9.555 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.276 7.887 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.732 6.991 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.061 6.606 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.125 7.483 5.704 1.00 0.00 H new ATOM 1321 N SER A 111 -2.544 10.790 5.593 1.00 0.00 N ATOM 1322 CA SER A 111 -1.834 11.775 6.391 1.00 0.00 C ATOM 1323 C SER A 111 -0.779 12.479 5.536 1.00 0.00 C ATOM 1324 O SER A 111 -0.501 13.661 5.735 1.00 0.00 O ATOM 1325 CB SER A 111 -1.181 11.126 7.613 1.00 0.00 C ATOM 1326 OG SER A 111 -1.549 11.780 8.825 1.00 0.00 O ATOM 0 H SER A 111 -2.240 9.827 5.734 1.00 0.00 H new ATOM 0 HA SER A 111 -2.555 12.512 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.471 10.077 7.665 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.097 11.152 7.502 1.00 0.00 H new ATOM 0 HG SER A 111 -1.113 11.335 9.582 1.00 0.00 H new ATOM 1331 N ALA A 112 -0.218 11.723 4.604 1.00 0.00 N ATOM 1332 CA ALA A 112 0.802 12.260 3.718 1.00 0.00 C ATOM 1333 C ALA A 112 0.195 13.376 2.867 1.00 0.00 C ATOM 1334 O ALA A 112 0.779 14.451 2.738 1.00 0.00 O ATOM 1335 CB ALA A 112 1.386 11.129 2.869 1.00 0.00 C ATOM 0 H ALA A 112 -0.450 10.743 4.443 1.00 0.00 H new ATOM 0 HA ALA A 112 1.621 12.693 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.151 11.531 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.830 10.377 3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.593 10.673 2.276 1.00 0.00 H new ATOM 1341 N GLN A 113 -0.971 13.083 2.307 1.00 0.00 N ATOM 1342 CA GLN A 113 -1.663 14.049 1.471 1.00 0.00 C ATOM 1343 C GLN A 113 -1.994 15.307 2.277 1.00 0.00 C ATOM 1344 O GLN A 113 -2.315 16.348 1.705 1.00 0.00 O ATOM 1345 CB GLN A 113 -2.926 13.440 0.861 1.00 0.00 C ATOM 1346 CG GLN A 113 -3.957 13.115 1.945 1.00 0.00 C ATOM 1347 CD GLN A 113 -5.358 12.979 1.347 1.00 0.00 C ATOM 1348 OE1 GLN A 113 -6.171 13.888 1.392 1.00 0.00 O ATOM 1349 NE2 GLN A 113 -5.594 11.798 0.784 1.00 0.00 N ATOM 0 H GLN A 113 -1.453 12.191 2.416 1.00 0.00 H new ATOM 0 HA GLN A 113 -1.003 14.330 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -3.357 14.135 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.669 12.532 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -3.681 12.188 2.448 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -3.955 13.901 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -4.869 11.080 0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.500 11.609 0.355 1.00 0.00 H new ATOM 1356 N GLU A 114 -1.905 15.170 3.592 1.00 0.00 N ATOM 1357 CA GLU A 114 -2.191 16.282 4.482 1.00 0.00 C ATOM 1358 C GLU A 114 -0.923 17.101 4.732 1.00 0.00 C ATOM 1359 O GLU A 114 -0.990 18.206 5.270 1.00 0.00 O ATOM 1360 CB GLU A 114 -2.795 15.789 5.798 1.00 0.00 C ATOM 1361 CG GLU A 114 -4.178 15.178 5.572 1.00 0.00 C ATOM 1362 CD GLU A 114 -5.252 15.950 6.342 1.00 0.00 C ATOM 1363 OE1 GLU A 114 -5.440 15.624 7.534 1.00 0.00 O ATOM 1364 OE2 GLU A 114 -5.860 16.848 5.721 1.00 0.00 O ATOM 0 H GLU A 114 -1.639 14.305 4.063 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.927 16.927 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.136 15.048 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.871 16.619 6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.413 15.185 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.175 14.136 5.891 1.00 0.00 H new ATOM 1369 N ASN A 115 0.201 16.529 4.329 1.00 0.00 N ATOM 1370 CA ASN A 115 1.483 17.193 4.503 1.00 0.00 C ATOM 1371 C ASN A 115 1.728 18.138 3.324 1.00 0.00 C ATOM 1372 O ASN A 115 0.805 18.448 2.571 1.00 0.00 O ATOM 1373 CB ASN A 115 2.627 16.179 4.541 1.00 0.00 C ATOM 1374 CG ASN A 115 3.333 16.200 5.899 1.00 0.00 C ATOM 1375 OD1 ASN A 115 4.429 16.714 6.051 1.00 0.00 O ATOM 1376 ND2 ASN A 115 2.645 15.612 6.875 1.00 0.00 N ATOM 0 H ASN A 115 0.252 15.613 3.882 1.00 0.00 H new ATOM 0 HA ASN A 115 1.454 17.740 5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.239 15.180 4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.344 16.404 3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.031 15.572 7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.732 15.201 6.679 1.00 0.00 H new ATOM 1382 N ILE A 116 2.974 18.569 3.201 1.00 0.00 N ATOM 1383 CA ILE A 116 3.351 19.472 2.128 1.00 0.00 C ATOM 1384 C ILE A 116 4.243 18.728 1.132 1.00 0.00 C ATOM 1385 O ILE A 116 4.083 18.873 -0.080 1.00 0.00 O ATOM 1386 CB ILE A 116 3.987 20.743 2.694 1.00 0.00 C ATOM 1387 CG1 ILE A 116 3.770 21.931 1.755 1.00 0.00 C ATOM 1388 CG2 ILE A 116 5.469 20.521 3.005 1.00 0.00 C ATOM 1389 CD1 ILE A 116 4.859 21.987 0.681 1.00 0.00 C ATOM 0 H ILE A 116 3.736 18.309 3.827 1.00 0.00 H new ATOM 0 HA ILE A 116 2.468 19.803 1.581 1.00 0.00 H new ATOM 0 HB ILE A 116 3.492 20.983 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.791 21.851 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.772 22.858 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 116 5.898 21.439 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.571 19.722 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 116 5.995 20.244 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.681 22.841 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.834 22.091 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.838 21.069 0.094 1.00 0.00 H new ATOM 1400 N ALA A 117 5.165 17.950 1.679 1.00 0.00 N ATOM 1401 CA ALA A 117 6.083 17.183 0.854 1.00 0.00 C ATOM 1402 C ALA A 117 5.432 15.851 0.476 1.00 0.00 C ATOM 1403 O ALA A 117 6.045 15.027 -0.202 1.00 0.00 O ATOM 1404 CB ALA A 117 7.406 16.996 1.600 1.00 0.00 C ATOM 0 H ALA A 117 5.296 17.834 2.684 1.00 0.00 H new ATOM 0 HA ALA A 117 6.304 17.715 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.095 16.421 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.842 17.971 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.225 16.463 2.533 1.00 0.00 H new ATOM 1410 N GLY A 118 4.201 15.680 0.933 1.00 0.00 N ATOM 1411 CA GLY A 118 3.460 14.462 0.652 1.00 0.00 C ATOM 1412 C GLY A 118 4.076 13.266 1.381 1.00 0.00 C ATOM 1413 O GLY A 118 4.146 12.168 0.830 1.00 0.00 O ATOM 0 H GLY A 118 3.697 16.365 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.421 14.585 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.455 14.275 -0.422 1.00 0.00 H new ATOM 1417 N ILE A 119 4.508 13.519 2.608 1.00 0.00 N ATOM 1418 CA ILE A 119 5.114 12.477 3.417 1.00 0.00 C ATOM 1419 C ILE A 119 4.257 12.239 4.662 1.00 0.00 C ATOM 1420 O ILE A 119 3.750 13.186 5.261 1.00 0.00 O ATOM 1421 CB ILE A 119 6.571 12.823 3.730 1.00 0.00 C ATOM 1422 CG1 ILE A 119 7.518 12.185 2.711 1.00 0.00 C ATOM 1423 CG2 ILE A 119 6.931 12.436 5.167 1.00 0.00 C ATOM 1424 CD1 ILE A 119 7.493 12.949 1.386 1.00 0.00 C ATOM 0 H ILE A 119 4.450 14.431 3.061 1.00 0.00 H new ATOM 0 HA ILE A 119 5.144 11.536 2.867 1.00 0.00 H new ATOM 0 HB ILE A 119 6.690 13.903 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.533 12.174 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.230 11.147 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 119 7.972 12.693 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.287 12.976 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.790 11.363 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.175 12.475 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.482 12.937 0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.804 13.980 1.554 1.00 0.00 H new ATOM 1435 N PRO A 120 4.118 10.935 5.024 1.00 0.00 N ATOM 1436 CA PRO A 120 3.331 10.561 6.187 1.00 0.00 C ATOM 1437 C PRO A 120 4.083 10.877 7.481 1.00 0.00 C ATOM 1438 O PRO A 120 5.313 10.878 7.505 1.00 0.00 O ATOM 1439 CB PRO A 120 3.049 9.079 6.010 1.00 0.00 C ATOM 1440 CG PRO A 120 4.071 8.577 5.003 1.00 0.00 C ATOM 1441 CD PRO A 120 4.704 9.787 4.338 1.00 0.00 C ATOM 0 HA PRO A 120 2.400 11.123 6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.141 8.548 6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 120 2.033 8.915 5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.831 7.973 5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.593 7.940 4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.789 9.774 4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.487 9.811 3.270 1.00 0.00 H new ATOM 1446 N SER A 121 3.312 11.135 8.527 1.00 0.00 N ATOM 1447 CA SER A 121 3.889 11.451 9.823 1.00 0.00 C ATOM 1448 C SER A 121 4.697 10.260 10.340 1.00 0.00 C ATOM 1449 O SER A 121 5.516 10.406 11.246 1.00 0.00 O ATOM 1450 CB SER A 121 2.804 11.835 10.831 1.00 0.00 C ATOM 1451 OG SER A 121 2.068 10.700 11.280 1.00 0.00 O ATOM 0 H SER A 121 2.292 11.132 8.504 1.00 0.00 H new ATOM 0 HA SER A 121 4.553 12.307 9.702 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.263 12.331 11.686 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.122 12.552 10.374 1.00 0.00 H new ATOM 0 HG SER A 121 1.386 10.986 11.923 1.00 0.00 H new ATOM 1456 N ALA A 122 4.438 9.106 9.743 1.00 0.00 N ATOM 1457 CA ALA A 122 5.131 7.889 10.131 1.00 0.00 C ATOM 1458 C ALA A 122 6.635 8.073 9.917 1.00 0.00 C ATOM 1459 O ALA A 122 7.444 7.462 10.613 1.00 0.00 O ATOM 1460 CB ALA A 122 4.569 6.706 9.340 1.00 0.00 C ATOM 0 H ALA A 122 3.757 8.988 8.993 1.00 0.00 H new ATOM 0 HA ALA A 122 4.972 7.678 11.188 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.089 5.793 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 122 3.505 6.600 9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.712 6.880 8.274 1.00 0.00 H new ATOM 1466 N PHE A 123 6.964 8.917 8.950 1.00 0.00 N ATOM 1467 CA PHE A 123 8.355 9.189 8.634 1.00 0.00 C ATOM 1468 C PHE A 123 8.819 10.495 9.283 1.00 0.00 C ATOM 1469 O PHE A 123 9.952 10.591 9.752 1.00 0.00 O ATOM 1470 CB PHE A 123 8.451 9.326 7.114 1.00 0.00 C ATOM 1471 CG PHE A 123 7.836 8.156 6.344 1.00 0.00 C ATOM 1472 CD1 PHE A 123 7.601 6.975 6.975 1.00 0.00 C ATOM 1473 CD2 PHE A 123 7.524 8.298 5.027 1.00 0.00 C ATOM 1474 CE1 PHE A 123 7.031 5.889 6.260 1.00 0.00 C ATOM 1475 CE2 PHE A 123 6.953 7.211 4.312 1.00 0.00 C ATOM 1476 CZ PHE A 123 6.718 6.030 4.944 1.00 0.00 C ATOM 0 H PHE A 123 6.290 9.422 8.375 1.00 0.00 H new ATOM 0 HA PHE A 123 8.986 8.383 9.010 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.955 10.248 6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 123 9.500 9.421 6.834 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.848 6.863 8.020 1.00 0.00 H new ATOM 0 HD2 PHE A 123 7.710 9.236 4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 123 6.846 4.950 6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 123 6.706 7.323 3.267 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.283 5.204 4.401 1.00 0.00 H new ATOM 1485 N LEU A 124 7.920 11.468 9.288 1.00 0.00 N ATOM 1486 CA LEU A 124 8.223 12.764 9.871 1.00 0.00 C ATOM 1487 C LEU A 124 8.727 12.569 11.303 1.00 0.00 C ATOM 1488 O LEU A 124 9.900 12.804 11.590 1.00 0.00 O ATOM 1489 CB LEU A 124 7.014 13.695 9.767 1.00 0.00 C ATOM 1490 CG LEU A 124 6.436 13.888 8.363 1.00 0.00 C ATOM 1491 CD1 LEU A 124 5.115 14.658 8.415 1.00 0.00 C ATOM 1492 CD2 LEU A 124 7.454 14.559 7.438 1.00 0.00 C ATOM 0 H LEU A 124 6.981 11.385 8.898 1.00 0.00 H new ATOM 0 HA LEU A 124 9.022 13.254 9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.226 13.308 10.413 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.297 14.672 10.159 1.00 0.00 H new ATOM 0 HG LEU A 124 6.220 12.905 7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.726 14.781 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 124 4.394 14.104 9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.283 15.638 8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.018 14.684 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.724 15.535 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.346 13.936 7.366 1.00 0.00 H new ATOM 1503 N GLU A 125 7.816 12.141 12.164 1.00 0.00 N ATOM 1504 CA GLU A 125 8.153 11.912 13.559 1.00 0.00 C ATOM 1505 C GLU A 125 9.412 11.049 13.665 1.00 0.00 C ATOM 1506 O GLU A 125 10.438 11.501 14.172 1.00 0.00 O ATOM 1507 CB GLU A 125 6.984 11.271 14.307 1.00 0.00 C ATOM 1508 CG GLU A 125 7.195 11.344 15.821 1.00 0.00 C ATOM 1509 CD GLU A 125 6.195 12.303 16.469 1.00 0.00 C ATOM 1510 OE1 GLU A 125 4.989 11.978 16.427 1.00 0.00 O ATOM 1511 OE2 GLU A 125 6.660 13.339 16.992 1.00 0.00 O ATOM 0 H GLU A 125 6.844 11.947 11.923 1.00 0.00 H new ATOM 0 HA GLU A 125 8.356 12.875 14.027 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.056 11.777 14.041 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.879 10.230 14.001 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.085 10.350 16.255 1.00 0.00 H new ATOM 0 HG3 GLU A 125 8.212 11.674 16.034 1.00 0.00 H new