USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 488 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 15 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.026) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 48 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 100:sc= -0.672 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 43:sc= 0.307 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -74:sc= 0.215 USER MOD Single : A 95 GLN : amide:sc= -0.36 K(o=-0.36,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.521 18.581 10.716 1.00 0.00 N ATOM 145 CA LEU A 13 -3.953 18.298 9.409 1.00 0.00 C ATOM 146 C LEU A 13 -4.929 17.429 8.612 1.00 0.00 C ATOM 147 O LEU A 13 -5.725 16.692 9.192 1.00 0.00 O ATOM 148 CB LEU A 13 -2.559 17.685 9.551 1.00 0.00 C ATOM 149 CG LEU A 13 -1.393 18.675 9.601 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.265 18.149 10.491 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.901 19.014 8.192 1.00 0.00 C ATOM 0 HA LEU A 13 -3.813 19.221 8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.539 17.084 10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.396 17.004 8.715 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.751 19.602 10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.551 18.871 10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.640 18.000 11.503 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.099 17.201 10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.072 19.719 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.565 18.104 7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.714 19.461 7.620 1.00 0.00 H new ATOM 163 N PRO A 14 -4.831 17.546 7.261 1.00 0.00 N ATOM 164 CA PRO A 14 -5.695 16.780 6.379 1.00 0.00 C ATOM 165 C PRO A 14 -5.256 15.316 6.318 1.00 0.00 C ATOM 166 O PRO A 14 -4.088 15.004 6.544 1.00 0.00 O ATOM 167 CB PRO A 14 -5.607 17.483 5.034 1.00 0.00 C ATOM 168 CG PRO A 14 -4.347 18.332 5.089 1.00 0.00 C ATOM 169 CD PRO A 14 -3.900 18.408 6.540 1.00 0.00 C ATOM 0 HA PRO A 14 -6.727 16.744 6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.556 16.761 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.487 18.101 4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.564 17.893 4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.542 19.330 4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.872 18.065 6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.938 19.432 6.913 1.00 0.00 H new ATOM 177 N ASN A 15 -6.216 14.455 6.012 1.00 0.00 N ATOM 178 CA ASN A 15 -5.943 13.031 5.918 1.00 0.00 C ATOM 179 C ASN A 15 -7.037 12.361 5.084 1.00 0.00 C ATOM 180 O ASN A 15 -8.168 12.841 5.036 1.00 0.00 O ATOM 181 CB ASN A 15 -5.938 12.380 7.302 1.00 0.00 C ATOM 182 CG ASN A 15 -6.894 13.103 8.253 1.00 0.00 C ATOM 183 OD1 ASN A 15 -8.089 12.859 8.277 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.302 14.004 9.032 1.00 0.00 N ATOM 0 H ASN A 15 -7.184 14.717 5.826 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.964 12.904 5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.228 11.333 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.928 12.398 7.713 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.854 14.541 9.701 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.296 14.158 8.960 1.00 0.00 H new ATOM 191 N ARG A 16 -6.661 11.262 4.447 1.00 0.00 N ATOM 192 CA ARG A 16 -7.595 10.520 3.618 1.00 0.00 C ATOM 193 C ARG A 16 -7.243 9.031 3.622 1.00 0.00 C ATOM 194 O ARG A 16 -6.094 8.661 3.385 1.00 0.00 O ATOM 195 CB ARG A 16 -7.582 11.036 2.177 1.00 0.00 C ATOM 196 CG ARG A 16 -8.624 10.308 1.325 1.00 0.00 C ATOM 197 CD ARG A 16 -10.042 10.724 1.719 1.00 0.00 C ATOM 198 NE ARG A 16 -10.502 11.835 0.857 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.645 12.510 1.047 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.450 12.190 2.068 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.982 13.504 0.214 1.00 0.00 N ATOM 0 H ARG A 16 -5.721 10.867 4.488 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.592 10.662 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.784 12.107 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.591 10.895 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.456 10.529 0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.510 9.231 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.719 9.875 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.062 11.032 2.764 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.913 12.104 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.194 11.433 2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.319 12.704 2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.369 13.747 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.851 14.018 0.358 1.00 0.00 H new ATOM 215 N GLN A 17 -8.253 8.218 3.893 1.00 0.00 N ATOM 216 CA GLN A 17 -8.064 6.778 3.931 1.00 0.00 C ATOM 217 C GLN A 17 -9.054 6.087 2.991 1.00 0.00 C ATOM 218 O GLN A 17 -10.184 6.545 2.829 1.00 0.00 O ATOM 219 CB GLN A 17 -8.201 6.244 5.359 1.00 0.00 C ATOM 220 CG GLN A 17 -9.618 6.465 5.893 1.00 0.00 C ATOM 221 CD GLN A 17 -9.891 5.576 7.108 1.00 0.00 C ATOM 222 OE1 GLN A 17 -10.317 4.439 6.994 1.00 0.00 O ATOM 223 NE2 GLN A 17 -9.622 6.156 8.274 1.00 0.00 N ATOM 0 H GLN A 17 -9.205 8.529 4.088 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.053 6.556 3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.963 5.180 5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.482 6.743 6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.748 7.512 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.344 6.249 5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.267 7.112 8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.770 5.645 9.144 1.00 0.00 H new ATOM 232 N LEU A 18 -8.594 4.997 2.395 1.00 0.00 N ATOM 233 CA LEU A 18 -9.425 4.240 1.475 1.00 0.00 C ATOM 234 C LEU A 18 -9.227 2.744 1.730 1.00 0.00 C ATOM 235 O LEU A 18 -8.248 2.341 2.355 1.00 0.00 O ATOM 236 CB LEU A 18 -9.145 4.660 0.031 1.00 0.00 C ATOM 237 CG LEU A 18 -9.234 6.159 -0.261 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.952 6.666 -0.924 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.476 6.482 -1.094 1.00 0.00 C ATOM 0 H LEU A 18 -7.656 4.620 2.531 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.479 4.457 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.147 4.316 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.848 4.141 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.336 6.686 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.042 7.734 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.105 6.489 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.794 6.136 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.516 7.554 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.429 5.944 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.369 6.179 -0.548 1.00 0.00 H new ATOM 251 N LYS A 19 -10.173 1.961 1.232 1.00 0.00 N ATOM 252 CA LYS A 19 -10.116 0.519 1.398 1.00 0.00 C ATOM 253 C LYS A 19 -9.962 -0.142 0.026 1.00 0.00 C ATOM 254 O LYS A 19 -10.812 0.028 -0.847 1.00 0.00 O ATOM 255 CB LYS A 19 -11.328 0.022 2.188 1.00 0.00 C ATOM 256 CG LYS A 19 -12.428 -0.477 1.248 1.00 0.00 C ATOM 257 CD LYS A 19 -13.638 -0.978 2.039 1.00 0.00 C ATOM 258 CE LYS A 19 -14.635 -1.690 1.122 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.936 -1.863 1.806 1.00 0.00 N ATOM 0 H LYS A 19 -10.984 2.299 0.713 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.244 0.237 1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.025 -0.782 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.715 0.828 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.734 0.328 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.040 -1.281 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.308 -1.660 2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.128 -0.138 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.772 -1.114 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.239 -2.663 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.601 -2.348 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.803 -2.432 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.320 -0.931 2.063 1.00 0.00 H new ATOM 273 N VAL A 20 -8.872 -0.881 -0.120 1.00 0.00 N ATOM 274 CA VAL A 20 -8.597 -1.568 -1.370 1.00 0.00 C ATOM 275 C VAL A 20 -9.016 -3.035 -1.245 1.00 0.00 C ATOM 276 O VAL A 20 -8.500 -3.760 -0.396 1.00 0.00 O ATOM 277 CB VAL A 20 -7.124 -1.398 -1.748 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.891 -1.746 -3.219 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.639 0.020 -1.436 1.00 0.00 C ATOM 0 H VAL A 20 -8.169 -1.019 0.606 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.180 -1.131 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.541 -2.093 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.836 -1.617 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.180 -2.782 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.491 -1.088 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.589 0.115 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.231 0.740 -2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.751 0.217 -0.370 1.00 0.00 H new ATOM 289 N LYS A 21 -9.947 -3.427 -2.102 1.00 0.00 N ATOM 290 CA LYS A 21 -10.440 -4.793 -2.098 1.00 0.00 C ATOM 291 C LYS A 21 -9.378 -5.717 -2.698 1.00 0.00 C ATOM 292 O LYS A 21 -9.040 -5.598 -3.874 1.00 0.00 O ATOM 293 CB LYS A 21 -11.796 -4.875 -2.803 1.00 0.00 C ATOM 294 CG LYS A 21 -12.934 -5.008 -1.789 1.00 0.00 C ATOM 295 CD LYS A 21 -14.099 -5.809 -2.374 1.00 0.00 C ATOM 296 CE LYS A 21 -14.134 -7.226 -1.798 1.00 0.00 C ATOM 297 NZ LYS A 21 -14.220 -8.226 -2.886 1.00 0.00 N ATOM 0 H LYS A 21 -10.373 -2.822 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.616 -5.131 -1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.948 -3.983 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.806 -5.729 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.567 -5.499 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.281 -4.018 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.039 -5.301 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.004 -5.856 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.239 -7.405 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.989 -7.332 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.243 -9.182 -2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.086 -8.065 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.391 -8.135 -3.508 1.00 0.00 H new ATOM 311 N VAL A 22 -8.882 -6.616 -1.861 1.00 0.00 N ATOM 312 CA VAL A 22 -7.865 -7.560 -2.295 1.00 0.00 C ATOM 313 C VAL A 22 -8.363 -8.986 -2.054 1.00 0.00 C ATOM 314 O VAL A 22 -9.544 -9.197 -1.783 1.00 0.00 O ATOM 315 CB VAL A 22 -6.540 -7.262 -1.589 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.093 -5.822 -1.847 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.643 -7.544 -0.089 1.00 0.00 C ATOM 0 H VAL A 22 -9.165 -6.711 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.679 -7.457 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.782 -7.927 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.149 -5.637 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.960 -5.669 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.851 -5.133 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.688 -7.324 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.420 -6.916 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.894 -8.593 0.068 1.00 0.00 H new ATOM 643 N GLN A 44 7.135 0.309 -0.618 1.00 0.00 N ATOM 644 CA GLN A 44 7.723 1.338 0.223 1.00 0.00 C ATOM 645 C GLN A 44 8.404 2.402 -0.640 1.00 0.00 C ATOM 646 O GLN A 44 8.161 3.595 -0.467 1.00 0.00 O ATOM 647 CB GLN A 44 8.707 0.731 1.225 1.00 0.00 C ATOM 648 CG GLN A 44 8.773 1.567 2.504 1.00 0.00 C ATOM 649 CD GLN A 44 9.823 1.013 3.469 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.533 0.065 3.176 1.00 0.00 O ATOM 651 NE2 GLN A 44 9.882 1.655 4.632 1.00 0.00 N ATOM 0 HA GLN A 44 6.925 1.816 0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.403 -0.287 1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.698 0.669 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.013 2.601 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.797 1.574 2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.258 2.441 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.551 1.361 5.343 1.00 0.00 H new ATOM 660 N GLU A 45 9.245 1.932 -1.550 1.00 0.00 N ATOM 661 CA GLU A 45 9.963 2.828 -2.439 1.00 0.00 C ATOM 662 C GLU A 45 8.981 3.725 -3.195 1.00 0.00 C ATOM 663 O GLU A 45 9.021 4.947 -3.061 1.00 0.00 O ATOM 664 CB GLU A 45 10.849 2.045 -3.410 1.00 0.00 C ATOM 665 CG GLU A 45 11.436 2.965 -4.481 1.00 0.00 C ATOM 666 CD GLU A 45 10.842 2.654 -5.857 1.00 0.00 C ATOM 667 OE1 GLU A 45 11.076 1.522 -6.333 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.168 3.555 -6.401 1.00 0.00 O ATOM 0 H GLU A 45 9.445 0.942 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 45 10.614 3.461 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.656 1.560 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.266 1.255 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.237 4.005 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.519 2.847 -4.513 1.00 0.00 H new ATOM 675 N ALA A 46 8.122 3.083 -3.974 1.00 0.00 N ATOM 676 CA ALA A 46 7.131 3.808 -4.752 1.00 0.00 C ATOM 677 C ALA A 46 6.564 4.952 -3.909 1.00 0.00 C ATOM 678 O ALA A 46 6.855 6.119 -4.165 1.00 0.00 O ATOM 679 CB ALA A 46 6.046 2.839 -5.225 1.00 0.00 C ATOM 0 H ALA A 46 8.092 2.069 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 46 7.586 4.247 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.302 3.382 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.496 2.062 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.565 2.381 -4.361 1.00 0.00 H new ATOM 685 N ILE A 47 5.766 4.577 -2.920 1.00 0.00 N ATOM 686 CA ILE A 47 5.155 5.557 -2.038 1.00 0.00 C ATOM 687 C ILE A 47 6.239 6.487 -1.489 1.00 0.00 C ATOM 688 O ILE A 47 6.107 7.708 -1.556 1.00 0.00 O ATOM 689 CB ILE A 47 4.333 4.861 -0.951 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.215 4.017 -1.566 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.796 5.873 0.062 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.963 2.754 -0.739 1.00 0.00 C ATOM 0 H ILE A 47 5.528 3.608 -2.710 1.00 0.00 H new ATOM 0 HA ILE A 47 4.449 6.179 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 47 4.989 4.180 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.300 4.606 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.482 3.741 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.215 5.352 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.630 6.393 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.159 6.596 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.164 2.172 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.873 2.155 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.672 3.034 0.274 1.00 0.00 H new ATOM 704 N ASN A 48 7.287 5.873 -0.958 1.00 0.00 N ATOM 705 CA ASN A 48 8.392 6.631 -0.397 1.00 0.00 C ATOM 706 C ASN A 48 8.814 7.718 -1.388 1.00 0.00 C ATOM 707 O ASN A 48 9.236 8.801 -0.984 1.00 0.00 O ATOM 708 CB ASN A 48 9.602 5.731 -0.139 1.00 0.00 C ATOM 709 CG ASN A 48 10.875 6.561 0.041 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.884 7.598 0.683 1.00 0.00 O ATOM 711 ND2 ASN A 48 11.945 6.048 -0.560 1.00 0.00 N ATOM 0 H ASN A 48 7.394 4.860 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 48 8.059 7.066 0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.428 5.128 0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.729 5.039 -0.972 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.843 6.528 -0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.867 5.175 -1.082 1.00 0.00 H new ATOM 718 N ASP A 49 8.686 7.391 -2.665 1.00 0.00 N ATOM 719 CA ASP A 49 9.049 8.327 -3.717 1.00 0.00 C ATOM 720 C ASP A 49 7.996 9.434 -3.795 1.00 0.00 C ATOM 721 O ASP A 49 8.334 10.608 -3.931 1.00 0.00 O ATOM 722 CB ASP A 49 9.105 7.630 -5.078 1.00 0.00 C ATOM 723 CG ASP A 49 10.099 8.233 -6.072 1.00 0.00 C ATOM 724 OD1 ASP A 49 10.171 9.480 -6.118 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.765 7.433 -6.764 1.00 0.00 O ATOM 0 H ASP A 49 8.336 6.492 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 49 10.031 8.736 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.360 6.582 -4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.110 7.653 -5.523 1.00 0.00 H new ATOM 730 N LEU A 50 6.741 9.019 -3.704 1.00 0.00 N ATOM 731 CA LEU A 50 5.636 9.962 -3.763 1.00 0.00 C ATOM 732 C LEU A 50 5.648 10.834 -2.506 1.00 0.00 C ATOM 733 O LEU A 50 5.411 12.039 -2.580 1.00 0.00 O ATOM 734 CB LEU A 50 4.314 9.224 -3.986 1.00 0.00 C ATOM 735 CG LEU A 50 3.822 9.151 -5.433 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.618 8.216 -5.556 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.522 10.548 -5.980 1.00 0.00 C ATOM 0 H LEU A 50 6.465 8.044 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 50 5.750 10.630 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.420 8.207 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.544 9.709 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 50 4.620 8.730 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.288 8.182 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.901 7.214 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.806 8.584 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.174 10.468 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.750 11.019 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.428 11.153 -5.949 1.00 0.00 H new ATOM 749 N VAL A 51 5.928 10.193 -1.381 1.00 0.00 N ATOM 750 CA VAL A 51 5.974 10.895 -0.110 1.00 0.00 C ATOM 751 C VAL A 51 7.127 11.901 -0.131 1.00 0.00 C ATOM 752 O VAL A 51 7.108 12.888 0.602 1.00 0.00 O ATOM 753 CB VAL A 51 6.077 9.891 1.040 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.333 10.604 2.369 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.823 9.018 1.118 1.00 0.00 C ATOM 0 H VAL A 51 6.125 9.194 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 51 5.054 11.457 0.050 1.00 0.00 H new ATOM 0 HB VAL A 51 6.928 9.239 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.402 9.868 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.267 11.162 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.513 11.291 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.921 8.313 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.950 9.649 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.703 8.469 0.184 1.00 0.00 H new ATOM 765 N LYS A 52 8.105 11.614 -0.978 1.00 0.00 N ATOM 766 CA LYS A 52 9.264 12.481 -1.103 1.00 0.00 C ATOM 767 C LYS A 52 9.003 13.521 -2.194 1.00 0.00 C ATOM 768 O LYS A 52 9.568 14.613 -2.164 1.00 0.00 O ATOM 769 CB LYS A 52 10.530 11.653 -1.334 1.00 0.00 C ATOM 770 CG LYS A 52 11.153 11.222 -0.004 1.00 0.00 C ATOM 771 CD LYS A 52 12.627 11.628 0.068 1.00 0.00 C ATOM 772 CE LYS A 52 12.954 12.269 1.418 1.00 0.00 C ATOM 773 NZ LYS A 52 14.398 12.582 1.507 1.00 0.00 N ATOM 0 H LYS A 52 8.118 10.794 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 52 9.432 13.027 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.289 10.772 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.252 12.237 -1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.606 11.676 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.064 10.142 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.257 10.752 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.855 12.328 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.370 13.180 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.672 11.594 2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.603 13.016 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.950 11.706 1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.657 13.244 0.748 1.00 0.00 H new ATOM 787 N LYS A 53 8.145 13.145 -3.132 1.00 0.00 N ATOM 788 CA LYS A 53 7.802 14.032 -4.230 1.00 0.00 C ATOM 789 C LYS A 53 6.840 15.111 -3.728 1.00 0.00 C ATOM 790 O LYS A 53 6.748 16.188 -4.315 1.00 0.00 O ATOM 791 CB LYS A 53 7.262 13.231 -5.417 1.00 0.00 C ATOM 792 CG LYS A 53 8.405 12.676 -6.269 1.00 0.00 C ATOM 793 CD LYS A 53 8.203 13.017 -7.747 1.00 0.00 C ATOM 794 CE LYS A 53 6.849 12.509 -8.247 1.00 0.00 C ATOM 795 NZ LYS A 53 6.263 13.462 -9.216 1.00 0.00 N ATOM 0 H LYS A 53 7.678 12.239 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 53 8.691 14.544 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.642 12.411 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.623 13.867 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.354 13.087 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.463 11.594 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.265 14.096 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.003 12.573 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.971 11.533 -8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.171 12.375 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.345 13.102 -9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.128 14.385 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.904 13.569 -10.028 1.00 0.00 H new ATOM 809 N TYR A 54 6.147 14.784 -2.647 1.00 0.00 N ATOM 810 CA TYR A 54 5.196 15.711 -2.059 1.00 0.00 C ATOM 811 C TYR A 54 5.822 16.469 -0.886 1.00 0.00 C ATOM 812 O TYR A 54 6.956 16.193 -0.499 1.00 0.00 O ATOM 813 CB TYR A 54 4.039 14.856 -1.539 1.00 0.00 C ATOM 814 CG TYR A 54 3.027 14.458 -2.615 1.00 0.00 C ATOM 815 CD1 TYR A 54 3.463 13.913 -3.805 1.00 0.00 C ATOM 816 CD2 TYR A 54 1.677 14.646 -2.396 1.00 0.00 C ATOM 817 CE1 TYR A 54 2.510 13.539 -4.818 1.00 0.00 C ATOM 818 CE2 TYR A 54 0.724 14.272 -3.409 1.00 0.00 C ATOM 819 CZ TYR A 54 1.188 13.737 -4.570 1.00 0.00 C ATOM 820 OH TYR A 54 0.288 13.383 -5.527 1.00 0.00 O ATOM 0 H TYR A 54 6.226 13.890 -2.163 1.00 0.00 H new ATOM 0 HA TYR A 54 4.873 16.447 -2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.444 13.952 -1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.521 15.404 -0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.519 13.767 -3.977 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.335 15.074 -1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.838 13.111 -5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.335 14.413 -3.250 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.104 12.514 -5.301 1.00 0.00 H new ATOM 830 N THR A 55 5.054 17.408 -0.353 1.00 0.00 N ATOM 831 CA THR A 55 5.519 18.207 0.768 1.00 0.00 C ATOM 832 C THR A 55 4.889 17.714 2.072 1.00 0.00 C ATOM 833 O THR A 55 3.667 17.610 2.175 1.00 0.00 O ATOM 834 CB THR A 55 5.214 19.674 0.462 1.00 0.00 C ATOM 835 OG1 THR A 55 6.319 20.101 -0.330 1.00 0.00 O ATOM 836 CG2 THR A 55 5.284 20.560 1.708 1.00 0.00 C ATOM 0 H THR A 55 4.113 17.633 -0.677 1.00 0.00 H new ATOM 0 HA THR A 55 6.596 18.106 0.906 1.00 0.00 H new ATOM 0 HB THR A 55 4.222 19.752 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.202 21.043 -0.575 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.059 21.591 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.557 20.213 2.443 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.285 20.508 2.136 1.00 0.00 H new ATOM 844 N LEU A 56 5.750 17.424 3.036 1.00 0.00 N ATOM 845 CA LEU A 56 5.292 16.945 4.330 1.00 0.00 C ATOM 846 C LEU A 56 4.185 15.911 4.122 1.00 0.00 C ATOM 847 O LEU A 56 3.136 15.982 4.762 1.00 0.00 O ATOM 848 CB LEU A 56 4.879 18.119 5.220 1.00 0.00 C ATOM 849 CG LEU A 56 6.016 19.008 5.728 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.245 18.172 6.092 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.348 20.105 4.715 1.00 0.00 C ATOM 0 H LEU A 56 6.762 17.511 2.947 1.00 0.00 H new ATOM 0 HA LEU A 56 6.102 16.443 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.178 18.742 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.340 17.724 6.081 1.00 0.00 H new ATOM 0 HG LEU A 56 5.682 19.503 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.038 18.828 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.982 17.460 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.591 17.631 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.159 20.723 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.654 19.650 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.467 20.725 4.549 1.00 0.00 H new ATOM 863 N ALA A 57 4.455 14.973 3.226 1.00 0.00 N ATOM 864 CA ALA A 57 3.494 13.925 2.927 1.00 0.00 C ATOM 865 C ALA A 57 3.835 12.677 3.744 1.00 0.00 C ATOM 866 O ALA A 57 4.936 12.565 4.281 1.00 0.00 O ATOM 867 CB ALA A 57 3.488 13.652 1.421 1.00 0.00 C ATOM 0 H ALA A 57 5.326 14.917 2.697 1.00 0.00 H new ATOM 0 HA ALA A 57 2.488 14.237 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.767 12.866 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.211 14.561 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.482 13.334 1.105 1.00 0.00 H new ATOM 873 N ARG A 58 2.871 11.771 3.812 1.00 0.00 N ATOM 874 CA ARG A 58 3.055 10.536 4.555 1.00 0.00 C ATOM 875 C ARG A 58 1.939 9.545 4.222 1.00 0.00 C ATOM 876 O ARG A 58 0.759 9.889 4.282 1.00 0.00 O ATOM 877 CB ARG A 58 3.064 10.796 6.063 1.00 0.00 C ATOM 878 CG ARG A 58 4.425 10.448 6.671 1.00 0.00 C ATOM 879 CD ARG A 58 4.578 11.069 8.061 1.00 0.00 C ATOM 880 NE ARG A 58 5.442 10.213 8.904 1.00 0.00 N ATOM 881 CZ ARG A 58 5.713 10.458 10.193 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.191 11.536 10.795 1.00 0.00 N ATOM 883 NH2 ARG A 58 6.508 9.626 10.881 1.00 0.00 N ATOM 0 H ARG A 58 1.960 11.868 3.364 1.00 0.00 H new ATOM 0 HA ARG A 58 4.018 10.115 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.832 11.843 6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.285 10.203 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.531 9.365 6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.221 10.806 6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.010 12.066 7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.599 11.184 8.527 1.00 0.00 H new ATOM 0 HE ARG A 58 5.857 9.385 8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.587 12.170 10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.398 11.722 11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.907 8.806 10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.714 9.813 11.862 1.00 0.00 H new ATOM 897 N ALA A 59 2.350 8.333 3.878 1.00 0.00 N ATOM 898 CA ALA A 59 1.399 7.289 3.535 1.00 0.00 C ATOM 899 C ALA A 59 1.739 6.018 4.316 1.00 0.00 C ATOM 900 O ALA A 59 2.912 5.707 4.521 1.00 0.00 O ATOM 901 CB ALA A 59 1.411 7.064 2.022 1.00 0.00 C ATOM 0 H ALA A 59 3.329 8.051 3.829 1.00 0.00 H new ATOM 0 HA ALA A 59 0.388 7.586 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.698 6.281 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.134 7.988 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.410 6.762 1.707 1.00 0.00 H new ATOM 907 N PHE A 60 0.694 5.319 4.732 1.00 0.00 N ATOM 908 CA PHE A 60 0.867 4.090 5.486 1.00 0.00 C ATOM 909 C PHE A 60 -0.125 3.020 5.026 1.00 0.00 C ATOM 910 O PHE A 60 -1.098 3.325 4.339 1.00 0.00 O ATOM 911 CB PHE A 60 0.595 4.423 6.954 1.00 0.00 C ATOM 912 CG PHE A 60 1.156 5.775 7.399 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.470 6.065 7.202 1.00 0.00 C ATOM 914 CD2 PHE A 60 0.341 6.688 7.993 1.00 0.00 C ATOM 915 CE1 PHE A 60 2.991 7.320 7.615 1.00 0.00 C ATOM 916 CE2 PHE A 60 0.861 7.943 8.406 1.00 0.00 C ATOM 917 CZ PHE A 60 2.175 8.232 8.208 1.00 0.00 C ATOM 0 H PHE A 60 -0.277 5.581 4.561 1.00 0.00 H new ATOM 0 HA PHE A 60 1.874 3.701 5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.482 4.414 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.024 3.640 7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.118 5.340 6.731 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.702 6.458 8.151 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.035 7.550 7.458 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.213 8.668 8.877 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.571 9.187 8.522 1.00 0.00 H new ATOM 927 N VAL A 61 0.156 1.787 5.425 1.00 0.00 N ATOM 928 CA VAL A 61 -0.700 0.671 5.062 1.00 0.00 C ATOM 929 C VAL A 61 -0.637 -0.392 6.161 1.00 0.00 C ATOM 930 O VAL A 61 0.436 -0.686 6.685 1.00 0.00 O ATOM 931 CB VAL A 61 -0.303 0.132 3.686 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.860 1.017 2.569 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.216 -0.007 3.569 1.00 0.00 C ATOM 0 H VAL A 61 0.964 1.537 5.996 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.737 0.996 4.982 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.740 -0.861 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.563 0.612 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.948 1.043 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.466 2.028 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.471 -0.392 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.683 0.968 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.578 -0.696 4.332 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.882 -4.269 2.635 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.741 -3.498 3.099 1.00 0.00 C ATOM 1061 C VAL A 70 -7.162 -2.040 3.295 1.00 0.00 C ATOM 1062 O VAL A 70 -7.849 -1.469 2.449 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.572 -3.657 2.125 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.482 -2.620 2.403 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.005 -5.077 2.177 1.00 0.00 C ATOM 0 HA VAL A 70 -6.396 -3.869 4.064 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.949 -3.484 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.663 -2.755 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.896 -1.618 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.110 -2.747 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.175 -5.163 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.651 -5.291 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.784 -5.790 1.907 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.730 -1.478 4.415 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.054 -0.098 4.732 1.00 0.00 C ATOM 1077 C ARG A 71 -5.864 0.812 4.418 1.00 0.00 C ATOM 1078 O ARG A 71 -4.799 0.676 5.018 1.00 0.00 O ATOM 1079 CB ARG A 71 -7.427 0.055 6.208 1.00 0.00 C ATOM 1080 CG ARG A 71 -8.714 -0.708 6.530 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.678 -1.268 7.953 1.00 0.00 C ATOM 1082 NE ARG A 71 -9.942 -0.951 8.654 1.00 0.00 N ATOM 1083 CZ ARG A 71 -10.191 -1.262 9.933 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -9.263 -1.901 10.660 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -11.366 -0.935 10.486 1.00 0.00 N ATOM 0 H ARG A 71 -6.159 -1.954 5.113 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.909 0.191 4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.614 -0.316 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.556 1.111 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.572 -0.045 6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.846 -1.523 5.818 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.529 -2.347 7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.834 -0.845 8.498 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.670 -0.465 8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.368 -2.150 10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.452 -2.138 11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.072 -0.449 9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.555 -1.172 11.460 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.085 1.718 3.478 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.045 2.650 3.076 1.00 0.00 C ATOM 1101 C VAL A 72 -5.277 3.995 3.767 1.00 0.00 C ATOM 1102 O VAL A 72 -6.388 4.521 3.753 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.002 2.761 1.551 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.353 4.076 1.115 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.278 1.562 0.934 1.00 0.00 C ATOM 0 H VAL A 72 -6.970 1.827 2.982 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.066 2.288 3.389 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.029 2.757 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.335 4.130 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.928 4.914 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.333 4.123 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.262 1.666 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.256 1.521 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.800 0.644 1.203 1.00 0.00 H new ATOM 1115 N TYR A 73 -4.209 4.514 4.356 1.00 0.00 N ATOM 1116 CA TYR A 73 -4.282 5.787 5.051 1.00 0.00 C ATOM 1117 C TYR A 73 -3.060 6.654 4.737 1.00 0.00 C ATOM 1118 O TYR A 73 -1.931 6.167 4.746 1.00 0.00 O ATOM 1119 CB TYR A 73 -4.286 5.454 6.544 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.716 6.617 7.440 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -3.813 7.608 7.765 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -6.007 6.674 7.924 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -4.217 8.703 8.608 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -6.412 7.769 8.768 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.497 8.729 9.068 1.00 0.00 C ATOM 1126 OH TYR A 73 -5.879 9.763 9.865 1.00 0.00 O ATOM 0 H TYR A 73 -3.288 4.075 4.366 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.169 6.341 4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.954 4.610 6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.286 5.134 6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.802 7.562 7.387 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.714 5.898 7.670 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.520 9.486 8.869 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.419 7.826 9.154 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.819 9.651 10.118 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.329 7.923 4.467 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.266 8.862 4.151 1.00 0.00 C ATOM 1138 C ALA A 74 -2.533 10.188 4.867 1.00 0.00 C ATOM 1139 O ALA A 74 -3.633 10.416 5.368 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.165 9.028 2.634 1.00 0.00 C ATOM 0 H ALA A 74 -4.267 8.323 4.461 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.305 8.486 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.368 9.732 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.945 8.064 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.111 9.407 2.246 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.508 11.027 4.891 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.618 12.324 5.537 1.00 0.00 C ATOM 1148 C GLU A 75 -0.546 13.276 5.003 1.00 0.00 C ATOM 1149 O GLU A 75 0.643 12.966 5.050 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.524 12.189 7.058 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.358 11.282 7.456 1.00 0.00 C ATOM 1152 CD GLU A 75 0.711 12.067 8.220 1.00 0.00 C ATOM 1153 OE1 GLU A 75 0.997 13.204 7.788 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.218 11.511 9.218 1.00 0.00 O ATOM 0 H GLU A 75 -0.598 10.834 4.474 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.597 12.743 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.393 13.174 7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.456 11.782 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.724 10.463 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.081 10.836 6.564 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.005 14.416 4.507 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.100 15.415 3.965 1.00 0.00 C ATOM 1163 C ALA A 76 -0.313 16.741 4.697 1.00 0.00 C ATOM 1164 O ALA A 76 -1.086 16.810 5.652 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.322 15.539 2.456 1.00 0.00 C ATOM 0 H ALA A 76 -1.992 14.670 4.469 1.00 0.00 H new ATOM 0 HA ALA A 76 0.937 15.117 4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.357 16.288 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.129 14.578 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.352 15.839 2.263 1.00 0.00 H new ATOM 1171 N ASN A 77 0.386 17.761 4.222 1.00 0.00 N ATOM 1172 CA ASN A 77 0.283 19.082 4.820 1.00 0.00 C ATOM 1173 C ASN A 77 -0.884 19.837 4.180 1.00 0.00 C ATOM 1174 O ASN A 77 -1.494 20.696 4.814 1.00 0.00 O ATOM 1175 CB ASN A 77 1.558 19.894 4.585 1.00 0.00 C ATOM 1176 CG ASN A 77 1.345 21.365 4.945 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.673 21.705 5.905 1.00 0.00 O ATOM 1178 ND2 ASN A 77 1.953 22.217 4.125 1.00 0.00 N ATOM 0 H ASN A 77 1.026 17.700 3.430 1.00 0.00 H new ATOM 0 HA ASN A 77 0.129 18.956 5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.371 19.483 5.184 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.859 19.811 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.872 23.222 4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.501 21.866 3.339 1.00 0.00 H new ATOM 1185 N SER A 78 -1.159 19.488 2.932 1.00 0.00 N ATOM 1186 CA SER A 78 -2.242 20.123 2.199 1.00 0.00 C ATOM 1187 C SER A 78 -3.323 19.092 1.867 1.00 0.00 C ATOM 1188 O SER A 78 -3.019 17.927 1.615 1.00 0.00 O ATOM 1189 CB SER A 78 -1.727 20.784 0.918 1.00 0.00 C ATOM 1190 OG SER A 78 -0.473 21.431 1.118 1.00 0.00 O ATOM 0 H SER A 78 -0.651 18.774 2.410 1.00 0.00 H new ATOM 0 HA SER A 78 -2.672 20.901 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.626 20.031 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.458 21.512 0.566 1.00 0.00 H new ATOM 0 HG SER A 78 -0.178 21.839 0.277 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.563 19.559 1.877 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.691 18.693 1.580 1.00 0.00 C ATOM 1198 C GLN A 79 -5.485 17.996 0.233 1.00 0.00 C ATOM 1199 O GLN A 79 -5.790 16.814 0.089 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.004 19.477 1.597 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.019 20.545 0.501 1.00 0.00 C ATOM 1202 CD GLN A 79 -7.939 21.707 0.880 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -7.583 22.590 1.645 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.137 21.659 0.306 1.00 0.00 N ATOM 0 H GLN A 79 -4.811 20.526 2.086 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.752 17.930 2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.842 18.794 1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.138 19.948 2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.007 20.916 0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.353 20.103 -0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.370 20.892 -0.324 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.823 22.389 0.496 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.969 18.760 -0.719 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.719 18.231 -2.049 1.00 0.00 C ATOM 1215 C GLU A 80 -3.756 17.045 -1.976 1.00 0.00 C ATOM 1216 O GLU A 80 -4.129 15.917 -2.296 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.179 19.319 -2.979 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.206 19.680 -4.055 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.473 18.489 -4.978 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.477 17.871 -5.411 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -6.669 18.224 -5.230 1.00 0.00 O ATOM 0 H GLU A 80 -4.717 19.741 -0.596 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.665 17.881 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.928 20.207 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.258 18.975 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.137 19.995 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.843 20.525 -4.641 1.00 0.00 H new ATOM 1228 N SER A 81 -2.536 17.339 -1.553 1.00 0.00 N ATOM 1229 CA SER A 81 -1.516 16.311 -1.434 1.00 0.00 C ATOM 1230 C SER A 81 -2.080 15.098 -0.692 1.00 0.00 C ATOM 1231 O SER A 81 -1.888 13.960 -1.118 1.00 0.00 O ATOM 1232 CB SER A 81 -0.277 16.845 -0.714 1.00 0.00 C ATOM 1233 OG SER A 81 -0.582 17.959 0.120 1.00 0.00 O ATOM 0 H SER A 81 -2.230 18.275 -1.288 1.00 0.00 H new ATOM 0 HA SER A 81 -1.217 16.008 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.162 16.050 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.472 17.138 -1.450 1.00 0.00 H new ATOM 0 HG SER A 81 -1.410 17.781 0.614 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.765 15.383 0.406 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.359 14.329 1.212 1.00 0.00 C ATOM 1241 C ALA A 82 -4.218 13.432 0.319 1.00 0.00 C ATOM 1242 O ALA A 82 -3.962 12.234 0.208 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.161 14.952 2.356 1.00 0.00 C ATOM 0 H ALA A 82 -2.922 16.328 0.756 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.585 13.705 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.607 14.162 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.499 15.555 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.949 15.583 1.946 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.218 14.046 -0.295 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.116 13.318 -1.175 1.00 0.00 C ATOM 1251 C ASP A 83 -5.297 12.583 -2.238 1.00 0.00 C ATOM 1252 O ASP A 83 -5.367 11.360 -2.345 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.076 14.270 -1.893 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.498 13.737 -2.076 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.630 12.694 -2.754 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.421 14.383 -1.535 1.00 0.00 O ATOM 0 H ASP A 83 -5.426 15.040 -0.201 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.689 12.618 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.123 15.204 -1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.664 14.506 -2.874 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.539 13.360 -2.997 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.707 12.798 -4.048 1.00 0.00 C ATOM 1263 C ARG A 84 -2.922 11.597 -3.518 1.00 0.00 C ATOM 1264 O ARG A 84 -3.112 10.473 -3.980 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.727 13.840 -4.591 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.934 14.059 -6.091 1.00 0.00 C ATOM 1267 CD ARG A 84 -3.190 15.535 -6.400 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.619 15.882 -7.720 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.942 16.984 -8.412 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -3.833 17.851 -7.914 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.373 17.217 -9.603 1.00 0.00 N ATOM 0 H ARG A 84 -4.483 14.374 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.365 12.478 -4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.862 14.782 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.704 13.513 -4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.055 13.717 -6.637 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.777 13.460 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.261 15.736 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.744 16.160 -5.626 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.937 15.243 -8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.266 17.673 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.078 18.689 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.695 16.556 -9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.618 18.055 -10.130 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.055 11.875 -2.555 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.240 10.832 -1.957 1.00 0.00 C ATOM 1287 C LEU A 85 -2.097 9.582 -1.741 1.00 0.00 C ATOM 1288 O LEU A 85 -1.767 8.506 -2.237 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.567 11.342 -0.681 1.00 0.00 C ATOM 1290 CG LEU A 85 0.729 10.635 -0.278 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.794 10.779 -1.366 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.226 11.135 1.080 1.00 0.00 C ATOM 0 H LEU A 85 -1.900 12.808 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.428 10.552 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.355 12.404 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.277 11.253 0.141 1.00 0.00 H new ATOM 0 HG LEU A 85 0.519 9.571 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.705 10.268 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.429 10.337 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.009 11.835 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.148 10.617 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.415 12.207 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.469 10.938 1.839 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.180 9.767 -1.002 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.087 8.668 -0.715 1.00 0.00 C ATOM 1306 C ALA A 86 -4.575 8.058 -2.030 1.00 0.00 C ATOM 1307 O ALA A 86 -4.240 6.919 -2.353 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.239 9.170 0.158 1.00 0.00 C ATOM 0 H ALA A 86 -3.451 10.661 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.574 7.884 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.919 8.345 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.842 9.566 1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.778 9.957 -0.369 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.358 8.844 -2.755 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.895 8.395 -4.028 1.00 0.00 C ATOM 1316 C TYR A 87 -4.856 7.588 -4.808 1.00 0.00 C ATOM 1317 O TYR A 87 -5.168 6.530 -5.353 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.232 9.664 -4.814 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.087 9.514 -6.330 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -6.842 8.577 -7.006 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.202 10.316 -7.021 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -6.706 8.436 -8.432 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.066 10.175 -8.448 1.00 0.00 C ATOM 1324 CZ TYR A 87 -5.825 9.242 -9.083 1.00 0.00 C ATOM 1325 OH TYR A 87 -5.696 9.109 -10.430 1.00 0.00 O ATOM 0 H TYR A 87 -5.633 9.788 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.764 7.755 -3.874 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.256 9.960 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.583 10.472 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.535 7.950 -6.465 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.611 11.049 -6.492 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.290 7.706 -8.973 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.377 10.796 -9.001 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.032 9.750 -10.760 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.642 8.117 -4.837 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.555 7.459 -5.541 1.00 0.00 C ATOM 1337 C GLU A 88 -2.214 6.128 -4.866 1.00 0.00 C ATOM 1338 O GLU A 88 -2.429 5.063 -5.442 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.324 8.365 -5.620 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.584 9.563 -6.535 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.447 9.740 -7.543 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.196 8.770 -8.292 1.00 0.00 O ATOM 1343 OE2 GLU A 88 0.146 10.840 -7.542 1.00 0.00 O ATOM 0 H GLU A 88 -3.387 8.995 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.880 7.254 -6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.061 8.715 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.472 7.796 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.526 9.423 -7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.687 10.467 -5.935 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.688 6.234 -3.654 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.315 5.053 -2.895 1.00 0.00 C ATOM 1352 C VAL A 89 -2.375 3.968 -3.094 1.00 0.00 C ATOM 1353 O VAL A 89 -2.085 2.904 -3.640 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.105 5.421 -1.424 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.947 4.166 -0.563 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.094 6.355 -1.259 1.00 0.00 C ATOM 0 H VAL A 89 -1.512 7.120 -3.179 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.368 4.652 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.992 5.953 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.799 4.455 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.844 3.553 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.085 3.595 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.221 6.601 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.993 5.861 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.076 7.270 -1.827 1.00 0.00 H new ATOM 1366 N SER A 90 -3.582 4.274 -2.642 1.00 0.00 N ATOM 1367 CA SER A 90 -4.687 3.338 -2.764 1.00 0.00 C ATOM 1368 C SER A 90 -4.618 2.621 -4.114 1.00 0.00 C ATOM 1369 O SER A 90 -4.729 1.397 -4.177 1.00 0.00 O ATOM 1370 CB SER A 90 -6.032 4.051 -2.609 1.00 0.00 C ATOM 1371 OG SER A 90 -6.037 5.325 -3.248 1.00 0.00 O ATOM 0 H SER A 90 -3.819 5.157 -2.190 1.00 0.00 H new ATOM 0 HA SER A 90 -4.603 2.602 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.822 3.430 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.256 4.176 -1.550 1.00 0.00 H new ATOM 0 HG SER A 90 -5.510 5.959 -2.718 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.436 3.413 -5.160 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.351 2.869 -6.505 1.00 0.00 C ATOM 1379 C LEU A 91 -3.070 2.043 -6.636 1.00 0.00 C ATOM 1380 O LEU A 91 -3.113 0.885 -7.049 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.472 3.985 -7.543 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.849 4.154 -8.189 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.208 5.634 -8.337 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -5.923 3.411 -9.524 1.00 0.00 C ATOM 0 H LEU A 91 -4.345 4.427 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.186 2.195 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.197 4.927 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.743 3.801 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.592 3.707 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.191 5.726 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.223 6.105 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.465 6.128 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.912 3.547 -9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.168 3.807 -10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.742 2.349 -9.360 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.960 2.671 -6.277 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.668 2.008 -6.350 1.00 0.00 C ATOM 1398 C LEU A 92 -0.793 0.594 -5.779 1.00 0.00 C ATOM 1399 O LEU A 92 -0.280 -0.361 -6.360 1.00 0.00 O ATOM 1400 CB LEU A 92 0.407 2.855 -5.667 1.00 0.00 C ATOM 1401 CG LEU A 92 0.428 4.340 -6.037 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.828 4.930 -5.860 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -0.113 4.560 -7.451 1.00 0.00 C ATOM 0 H LEU A 92 -1.928 3.631 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.349 1.906 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.276 2.772 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.382 2.428 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.233 4.872 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.815 5.986 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.138 4.825 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.530 4.400 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.087 5.623 -7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.503 4.013 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.140 4.200 -7.508 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.476 0.505 -4.648 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.674 -0.776 -3.992 1.00 0.00 C ATOM 1417 C VAL A 93 -2.344 -1.746 -4.968 1.00 0.00 C ATOM 1418 O VAL A 93 -1.745 -2.743 -5.367 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.469 -0.585 -2.699 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.412 -1.842 -1.829 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.974 0.639 -1.926 1.00 0.00 C ATOM 0 H VAL A 93 -1.900 1.300 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.716 -1.211 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.511 -0.412 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.985 -1.679 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.835 -2.684 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.375 -2.060 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.556 0.752 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.922 0.508 -1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.091 1.530 -2.542 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.578 -1.419 -5.324 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.335 -2.248 -6.245 1.00 0.00 C ATOM 1433 C PHE A 94 -3.432 -2.817 -7.341 1.00 0.00 C ATOM 1434 O PHE A 94 -3.561 -3.982 -7.715 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.394 -1.350 -6.889 1.00 0.00 C ATOM 1436 CG PHE A 94 -5.995 -1.920 -8.175 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -5.258 -1.945 -9.317 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.267 -2.402 -8.175 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -5.816 -2.473 -10.511 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -7.825 -2.931 -9.369 1.00 0.00 C ATOM 1441 CZ PHE A 94 -7.088 -2.955 -10.512 1.00 0.00 C ATOM 0 H PHE A 94 -4.072 -0.591 -4.991 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.782 -3.085 -5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.196 -1.178 -6.171 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.948 -0.379 -7.107 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.248 -1.563 -9.316 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.852 -2.382 -7.268 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -5.231 -2.492 -11.418 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.835 -3.314 -9.369 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.513 -3.357 -11.420 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.537 -1.968 -7.826 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.612 -2.371 -8.871 1.00 0.00 C ATOM 1453 C GLN A 95 -0.473 -3.204 -8.280 1.00 0.00 C ATOM 1454 O GLN A 95 -0.151 -4.274 -8.794 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.069 -1.154 -9.622 1.00 0.00 C ATOM 1456 CG GLN A 95 -1.942 -0.822 -10.833 1.00 0.00 C ATOM 1457 CD GLN A 95 -1.101 -0.734 -12.108 1.00 0.00 C ATOM 1458 OE1 GLN A 95 0.119 -0.722 -12.078 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -1.818 -0.673 -13.226 1.00 0.00 N ATOM 0 H GLN A 95 -2.433 -1.002 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.152 -2.988 -9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.030 -0.296 -8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.048 -1.350 -9.948 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.710 -1.586 -10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.456 0.124 -10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.837 -0.687 -13.180 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.349 -0.612 -14.130 1.00 0.00 H new ATOM 1468 N LEU A 96 0.104 -2.682 -7.208 1.00 0.00 N ATOM 1469 CA LEU A 96 1.200 -3.365 -6.541 1.00 0.00 C ATOM 1470 C LEU A 96 0.704 -4.705 -5.996 1.00 0.00 C ATOM 1471 O LEU A 96 0.842 -5.736 -6.652 1.00 0.00 O ATOM 1472 CB LEU A 96 1.826 -2.461 -5.477 1.00 0.00 C ATOM 1473 CG LEU A 96 3.183 -1.848 -5.830 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.199 -0.347 -5.536 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.319 -2.584 -5.119 1.00 0.00 C ATOM 0 H LEU A 96 -0.166 -1.794 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 96 1.999 -3.585 -7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.129 -1.651 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.938 -3.038 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 96 3.344 -1.968 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.174 0.064 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.428 0.148 -6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.006 -0.182 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.272 -2.128 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.176 -2.518 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.320 -3.631 -5.422 1.00 0.00 H new ATOM 1487 N ALA A 97 0.137 -4.648 -4.800 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.380 -5.844 -4.158 1.00 0.00 C ATOM 1489 C ALA A 97 -1.156 -6.673 -5.184 1.00 0.00 C ATOM 1490 O ALA A 97 -0.790 -7.811 -5.473 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.242 -5.448 -2.957 1.00 0.00 C ATOM 0 H ALA A 97 0.024 -3.791 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 97 0.436 -6.462 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.630 -6.346 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.638 -4.887 -2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.074 -4.829 -3.294 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.214 -6.069 -5.707 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.044 -6.737 -6.695 1.00 0.00 C ATOM 1499 C GLY A 98 -4.491 -6.847 -6.210 1.00 0.00 C ATOM 1500 O GLY A 98 -4.951 -7.932 -5.858 1.00 0.00 O ATOM 0 H GLY A 98 -2.515 -5.125 -5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.012 -6.186 -7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.647 -7.732 -6.896 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.169 -5.708 -6.208 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.554 -5.663 -5.773 1.00 0.00 C ATOM 1506 C GLY A 99 -7.441 -6.525 -6.673 1.00 0.00 C ATOM 1507 O GLY A 99 -7.154 -6.691 -7.858 1.00 0.00 O ATOM 0 H GLY A 99 -4.784 -4.810 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.627 -6.012 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.909 -4.633 -5.786 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.500 -7.052 -6.078 1.00 0.00 N ATOM 1512 CA ILE A 100 -9.430 -7.893 -6.811 1.00 0.00 C ATOM 1513 C ILE A 100 -10.836 -7.298 -6.713 1.00 0.00 C ATOM 1514 O ILE A 100 -11.181 -6.674 -5.710 1.00 0.00 O ATOM 1515 CB ILE A 100 -9.340 -9.342 -6.326 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -9.789 -9.461 -4.868 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -7.934 -9.905 -6.541 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -10.927 -10.474 -4.726 1.00 0.00 C ATOM 0 H ILE A 100 -8.735 -6.913 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.167 -7.918 -7.869 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.023 -9.946 -6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.946 -9.766 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.117 -8.487 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.897 -10.936 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.689 -9.876 -7.603 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.213 -9.305 -5.986 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.227 -10.540 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -11.777 -10.153 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.588 -11.452 -5.068 1.00 0.00 H new