USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 684 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 92 SER OG : rot 150:sc= 0 USER MOD Set 1.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0.0149 USER MOD Set 2.2: A 29 ASN : amide:sc= -4.52! C(o=-4.5!,f=-5.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= -1.86 USER MOD Single : A 19 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.11) USER MOD Single : A 20 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.39) USER MOD Single : A 24 TYR OH : rot -30:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -140:sc= -0.28 (180deg=-1.84!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.422 K(o=-0.42,f=-2.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 167:sc= -3.04 (180deg=-3.74!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.58! C(o=-2.6!,f=-14!) USER MOD Single : A 59 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.7) USER MOD Single : A 62 THR OG1 : rot 110:sc= -2.43! USER MOD Single : A 63 THR OG1 : rot -42:sc= -2.52! USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 73 SER OG : rot -7:sc= -1.22! USER MOD Single : A 80 MET CE :methyl 150:sc= -0.0585 (180deg=-1.34) USER MOD Single : A 83 SER OG : rot 180:sc= 0.21 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -123:sc= -1.3 USER MOD Single : A 88 LYS NZ :NH3+ -154:sc= -0.739 (180deg=-1.38!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N ALA A 12 -10.865 -2.640 5.547 1.00 0.00 N ATOM 157 CA ALA A 12 -9.782 -2.392 6.539 1.00 0.00 C ATOM 158 C ALA A 12 -8.451 -2.913 5.994 1.00 0.00 C ATOM 159 O ALA A 12 -7.400 -2.364 6.261 1.00 0.00 O ATOM 160 CB ALA A 12 -10.197 -3.175 7.785 1.00 0.00 C ATOM 0 HA ALA A 12 -9.648 -1.332 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.447 -3.042 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.160 -2.808 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.281 -4.233 7.538 1.00 0.00 H new ATOM 166 N LEU A 13 -8.489 -3.969 5.227 1.00 0.00 N ATOM 167 CA LEU A 13 -7.228 -4.527 4.661 1.00 0.00 C ATOM 168 C LEU A 13 -6.531 -3.477 3.791 1.00 0.00 C ATOM 169 O LEU A 13 -5.335 -3.282 3.876 1.00 0.00 O ATOM 170 CB LEU A 13 -7.668 -5.719 3.812 1.00 0.00 C ATOM 171 CG LEU A 13 -6.442 -6.360 3.160 1.00 0.00 C ATOM 172 CD1 LEU A 13 -6.499 -7.878 3.348 1.00 0.00 C ATOM 173 CD2 LEU A 13 -6.431 -6.034 1.665 1.00 0.00 C ATOM 0 H LEU A 13 -9.339 -4.469 4.968 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.520 -4.819 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.187 -6.449 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.372 -5.394 3.046 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.537 -5.969 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.625 -8.335 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.509 -8.113 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.404 -8.269 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.557 -6.490 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.336 -6.426 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.392 -4.953 1.529 1.00 0.00 H new ATOM 185 N GLU A 14 -7.273 -2.792 2.963 1.00 0.00 N ATOM 186 CA GLU A 14 -6.647 -1.747 2.098 1.00 0.00 C ATOM 187 C GLU A 14 -6.183 -0.580 2.966 1.00 0.00 C ATOM 188 O GLU A 14 -5.120 -0.024 2.770 1.00 0.00 O ATOM 189 CB GLU A 14 -7.750 -1.291 1.140 1.00 0.00 C ATOM 190 CG GLU A 14 -8.496 -2.507 0.592 1.00 0.00 C ATOM 191 CD GLU A 14 -7.599 -3.262 -0.390 1.00 0.00 C ATOM 192 OE1 GLU A 14 -6.736 -3.994 0.068 1.00 0.00 O ATOM 193 OE2 GLU A 14 -7.788 -3.093 -1.584 1.00 0.00 O ATOM 0 H GLU A 14 -8.280 -2.909 2.847 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.779 -2.124 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.445 -0.630 1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.318 -0.718 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.790 -3.164 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.412 -2.190 0.093 1.00 0.00 H new ATOM 200 N ALA A 15 -6.980 -0.209 3.927 1.00 0.00 N ATOM 201 CA ALA A 15 -6.606 0.918 4.821 1.00 0.00 C ATOM 202 C ALA A 15 -5.271 0.625 5.508 1.00 0.00 C ATOM 203 O ALA A 15 -4.413 1.480 5.611 1.00 0.00 O ATOM 204 CB ALA A 15 -7.738 0.983 5.844 1.00 0.00 C ATOM 0 H ALA A 15 -7.881 -0.642 4.132 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.481 1.859 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.545 1.792 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.682 1.166 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.796 0.037 6.383 1.00 0.00 H new ATOM 210 N LYS A 16 -5.086 -0.580 5.973 1.00 0.00 N ATOM 211 CA LYS A 16 -3.802 -0.928 6.646 1.00 0.00 C ATOM 212 C LYS A 16 -2.633 -0.713 5.682 1.00 0.00 C ATOM 213 O LYS A 16 -1.589 -0.215 6.055 1.00 0.00 O ATOM 214 CB LYS A 16 -3.932 -2.408 7.006 1.00 0.00 C ATOM 215 CG LYS A 16 -4.730 -2.553 8.302 1.00 0.00 C ATOM 216 CD LYS A 16 -4.641 -3.997 8.797 1.00 0.00 C ATOM 217 CE LYS A 16 -5.972 -4.404 9.432 1.00 0.00 C ATOM 218 NZ LYS A 16 -5.746 -5.783 9.948 1.00 0.00 N ATOM 0 H LYS A 16 -5.767 -1.338 5.916 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.613 -0.311 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.429 -2.947 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.944 -2.852 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.340 -1.873 9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.771 -2.279 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.404 -4.663 7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.835 -4.094 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.251 -3.722 10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.781 -4.383 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.616 -6.132 10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.489 -6.411 9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.975 -5.770 10.646 1.00 0.00 H new ATOM 232 N ILE A 17 -2.804 -1.084 4.443 1.00 0.00 N ATOM 233 CA ILE A 17 -1.708 -0.900 3.449 1.00 0.00 C ATOM 234 C ILE A 17 -1.498 0.588 3.166 1.00 0.00 C ATOM 235 O ILE A 17 -0.386 1.076 3.136 1.00 0.00 O ATOM 236 CB ILE A 17 -2.199 -1.615 2.192 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.080 -3.126 2.390 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.346 -1.190 0.996 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.256 -3.825 1.704 1.00 0.00 C ATOM 0 H ILE A 17 -3.656 -1.507 4.075 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.756 -1.295 3.803 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.240 -1.351 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.138 -3.485 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.072 -3.365 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.697 -1.701 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.428 -0.112 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.305 -1.454 1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.171 -4.903 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.192 -3.474 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.244 -3.597 0.638 1.00 0.00 H new ATOM 251 N CYS A 18 -2.562 1.311 2.962 1.00 0.00 N ATOM 252 CA CYS A 18 -2.431 2.771 2.684 1.00 0.00 C ATOM 253 C CYS A 18 -1.836 3.484 3.900 1.00 0.00 C ATOM 254 O CYS A 18 -1.018 4.373 3.773 1.00 0.00 O ATOM 255 CB CYS A 18 -3.858 3.254 2.423 1.00 0.00 C ATOM 256 SG CYS A 18 -4.222 3.133 0.654 1.00 0.00 S ATOM 0 H CYS A 18 -3.518 0.956 2.975 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.772 2.976 1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.567 2.653 2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.972 4.285 2.759 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.436 3.541 0.432 1.00 0.00 H new ATOM 262 N HIS A 19 -2.238 3.095 5.078 1.00 0.00 N ATOM 263 CA HIS A 19 -1.694 3.743 6.306 1.00 0.00 C ATOM 264 C HIS A 19 -0.218 3.380 6.481 1.00 0.00 C ATOM 265 O HIS A 19 0.578 4.186 6.918 1.00 0.00 O ATOM 266 CB HIS A 19 -2.528 3.181 7.458 1.00 0.00 C ATOM 267 CG HIS A 19 -3.661 4.122 7.761 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.583 3.869 8.765 1.00 0.00 N ATOM 269 CD2 HIS A 19 -4.035 5.319 7.201 1.00 0.00 C ATOM 270 CE1 HIS A 19 -5.458 4.891 8.779 1.00 0.00 C ATOM 271 NE2 HIS A 19 -5.170 5.802 7.845 1.00 0.00 N ATOM 0 H HIS A 19 -2.921 2.356 5.244 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.751 4.831 6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.918 2.198 7.193 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.904 3.049 8.342 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.526 5.810 6.385 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.291 4.966 9.462 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.674 6.666 7.647 1.00 0.00 H new ATOM 279 N GLN A 20 0.155 2.176 6.140 1.00 0.00 N ATOM 280 CA GLN A 20 1.584 1.782 6.290 1.00 0.00 C ATOM 281 C GLN A 20 2.446 2.654 5.379 1.00 0.00 C ATOM 282 O GLN A 20 3.430 3.231 5.804 1.00 0.00 O ATOM 283 CB GLN A 20 1.642 0.318 5.851 1.00 0.00 C ATOM 284 CG GLN A 20 2.143 -0.543 7.012 1.00 0.00 C ATOM 285 CD GLN A 20 1.184 -0.413 8.197 1.00 0.00 C ATOM 286 OE1 GLN A 20 0.074 -0.905 8.151 1.00 0.00 O ATOM 287 NE2 GLN A 20 1.568 0.233 9.263 1.00 0.00 N ATOM 0 H GLN A 20 -0.462 1.454 5.767 1.00 0.00 H new ATOM 0 HA GLN A 20 1.953 1.908 7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.654 -0.018 5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.305 0.211 4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.214 -1.585 6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.145 -0.229 7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.500 0.646 9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.936 0.325 10.059 1.00 0.00 H new ATOM 296 N ILE A 21 2.068 2.790 4.136 1.00 0.00 N ATOM 297 CA ILE A 21 2.858 3.656 3.220 1.00 0.00 C ATOM 298 C ILE A 21 2.910 5.055 3.821 1.00 0.00 C ATOM 299 O ILE A 21 3.902 5.753 3.736 1.00 0.00 O ATOM 300 CB ILE A 21 2.085 3.661 1.903 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.005 2.236 1.352 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.804 4.558 0.896 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.382 1.809 0.840 1.00 0.00 C ATOM 0 H ILE A 21 1.252 2.342 3.720 1.00 0.00 H new ATOM 0 HA ILE A 21 3.881 3.310 3.069 1.00 0.00 H new ATOM 0 HB ILE A 21 1.077 4.040 2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.667 1.552 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.274 2.187 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.254 4.563 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.861 5.573 1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.811 4.179 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.325 0.794 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.702 2.487 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.101 1.842 1.659 1.00 0.00 H new ATOM 315 N GLU A 22 1.843 5.453 4.450 1.00 0.00 N ATOM 316 CA GLU A 22 1.802 6.789 5.094 1.00 0.00 C ATOM 317 C GLU A 22 2.860 6.859 6.201 1.00 0.00 C ATOM 318 O GLU A 22 3.440 7.891 6.454 1.00 0.00 O ATOM 319 CB GLU A 22 0.396 6.902 5.684 1.00 0.00 C ATOM 320 CG GLU A 22 0.123 8.354 6.081 1.00 0.00 C ATOM 321 CD GLU A 22 -0.929 8.390 7.192 1.00 0.00 C ATOM 322 OE1 GLU A 22 -1.734 7.475 7.247 1.00 0.00 O ATOM 323 OE2 GLU A 22 -0.909 9.331 7.968 1.00 0.00 O ATOM 0 H GLU A 22 0.989 4.903 4.546 1.00 0.00 H new ATOM 0 HA GLU A 22 2.011 7.599 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.343 6.568 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.302 6.252 6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.043 8.828 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.226 8.919 5.217 1.00 0.00 H new ATOM 330 N TYR A 23 3.103 5.772 6.878 1.00 0.00 N ATOM 331 CA TYR A 23 4.113 5.793 7.975 1.00 0.00 C ATOM 332 C TYR A 23 5.500 6.192 7.443 1.00 0.00 C ATOM 333 O TYR A 23 6.188 6.993 8.045 1.00 0.00 O ATOM 334 CB TYR A 23 4.131 4.366 8.527 1.00 0.00 C ATOM 335 CG TYR A 23 5.456 4.098 9.201 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.737 4.660 10.451 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.403 3.287 8.570 1.00 0.00 C ATOM 338 CE1 TYR A 23 6.968 4.410 11.069 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.633 3.036 9.185 1.00 0.00 C ATOM 340 CZ TYR A 23 7.918 3.599 10.435 1.00 0.00 C ATOM 341 OH TYR A 23 9.131 3.352 11.045 1.00 0.00 O ATOM 0 H TYR A 23 2.648 4.872 6.721 1.00 0.00 H new ATOM 0 HA TYR A 23 3.861 6.525 8.743 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.316 4.231 9.238 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.972 3.651 7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.005 5.286 10.939 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.184 2.853 7.605 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.185 4.842 12.035 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.363 2.408 8.696 1.00 0.00 H new ATOM 0 HH TYR A 23 9.673 2.771 10.472 1.00 0.00 H new ATOM 351 N TYR A 24 5.930 5.649 6.330 1.00 0.00 N ATOM 352 CA TYR A 24 7.285 6.034 5.812 1.00 0.00 C ATOM 353 C TYR A 24 7.239 7.405 5.129 1.00 0.00 C ATOM 354 O TYR A 24 8.183 8.169 5.180 1.00 0.00 O ATOM 355 CB TYR A 24 7.703 4.985 4.772 1.00 0.00 C ATOM 356 CG TYR A 24 7.036 3.659 5.021 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.649 2.704 5.838 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.813 3.377 4.410 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.032 1.466 6.048 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.199 2.143 4.615 1.00 0.00 C ATOM 361 CZ TYR A 24 5.805 1.184 5.435 1.00 0.00 C ATOM 362 OH TYR A 24 5.196 -0.036 5.637 1.00 0.00 O ATOM 0 H TYR A 24 5.417 4.971 5.767 1.00 0.00 H new ATOM 0 HA TYR A 24 7.990 6.082 6.642 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.447 5.340 3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.785 4.859 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.598 2.922 6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.342 4.116 3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.502 0.729 6.682 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.254 1.926 4.140 1.00 0.00 H new ATOM 0 HH TYR A 24 5.879 -0.721 5.790 1.00 0.00 H new ATOM 372 N PHE A 25 6.162 7.702 4.460 1.00 0.00 N ATOM 373 CA PHE A 25 6.065 9.008 3.732 1.00 0.00 C ATOM 374 C PHE A 25 5.108 9.979 4.429 1.00 0.00 C ATOM 375 O PHE A 25 5.169 11.174 4.222 1.00 0.00 O ATOM 376 CB PHE A 25 5.513 8.647 2.353 1.00 0.00 C ATOM 377 CG PHE A 25 6.637 8.212 1.446 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.201 6.939 1.590 1.00 0.00 C ATOM 379 CD2 PHE A 25 7.112 9.080 0.456 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.241 6.534 0.745 1.00 0.00 C ATOM 381 CE2 PHE A 25 8.151 8.675 -0.389 1.00 0.00 C ATOM 382 CZ PHE A 25 8.716 7.402 -0.245 1.00 0.00 C ATOM 0 H PHE A 25 5.342 7.101 4.382 1.00 0.00 H new ATOM 0 HA PHE A 25 7.034 9.506 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.778 7.847 2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.998 9.506 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.834 6.269 2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.677 10.062 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.677 5.552 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.517 9.345 -1.153 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.518 7.090 -0.898 1.00 0.00 H new ATOM 392 N GLY A 26 4.223 9.476 5.238 1.00 0.00 N ATOM 393 CA GLY A 26 3.253 10.368 5.938 1.00 0.00 C ATOM 394 C GLY A 26 3.942 11.673 6.328 1.00 0.00 C ATOM 395 O GLY A 26 3.469 12.750 6.025 1.00 0.00 O ATOM 0 H GLY A 26 4.126 8.482 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.401 10.575 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.864 9.871 6.827 1.00 0.00 H new ATOM 399 N ASP A 27 5.059 11.582 6.995 1.00 0.00 N ATOM 400 CA ASP A 27 5.793 12.812 7.412 1.00 0.00 C ATOM 401 C ASP A 27 6.799 12.472 8.512 1.00 0.00 C ATOM 402 O ASP A 27 7.720 13.216 8.774 1.00 0.00 O ATOM 403 CB ASP A 27 4.721 13.763 7.951 1.00 0.00 C ATOM 404 CG ASP A 27 4.483 14.888 6.942 1.00 0.00 C ATOM 405 OD1 ASP A 27 5.092 14.848 5.885 1.00 0.00 O ATOM 406 OD2 ASP A 27 3.695 15.769 7.243 1.00 0.00 O ATOM 0 H ASP A 27 5.498 10.704 7.271 1.00 0.00 H new ATOM 0 HA ASP A 27 6.350 13.256 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.794 13.219 8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.037 14.179 8.908 1.00 0.00 H new ATOM 411 N PHE A 28 6.626 11.353 9.161 1.00 0.00 N ATOM 412 CA PHE A 28 7.575 10.968 10.248 1.00 0.00 C ATOM 413 C PHE A 28 8.845 10.352 9.659 1.00 0.00 C ATOM 414 O PHE A 28 9.945 10.675 10.057 1.00 0.00 O ATOM 415 CB PHE A 28 6.845 9.934 11.118 1.00 0.00 C ATOM 416 CG PHE A 28 5.361 9.955 10.838 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.544 10.913 11.450 1.00 0.00 C ATOM 418 CD2 PHE A 28 4.805 9.011 9.968 1.00 0.00 C ATOM 419 CE1 PHE A 28 3.168 10.926 11.189 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.430 9.026 9.706 1.00 0.00 C ATOM 421 CZ PHE A 28 2.611 9.983 10.316 1.00 0.00 C ATOM 0 H PHE A 28 5.871 10.689 8.987 1.00 0.00 H new ATOM 0 HA PHE A 28 7.874 11.840 10.830 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.244 8.939 10.921 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.025 10.146 12.172 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.974 11.641 12.122 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.436 8.271 9.499 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.536 11.664 11.661 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.001 8.299 9.033 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.550 9.994 10.114 1.00 0.00 H new ATOM 431 N ASN A 29 8.699 9.443 8.737 1.00 0.00 N ATOM 432 CA ASN A 29 9.896 8.778 8.149 1.00 0.00 C ATOM 433 C ASN A 29 10.664 9.709 7.203 1.00 0.00 C ATOM 434 O ASN A 29 11.868 9.622 7.086 1.00 0.00 O ATOM 435 CB ASN A 29 9.341 7.581 7.388 1.00 0.00 C ATOM 436 CG ASN A 29 9.612 6.303 8.184 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.749 5.237 7.618 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.694 6.363 9.485 1.00 0.00 N ATOM 0 H ASN A 29 7.802 9.131 8.364 1.00 0.00 H new ATOM 0 HA ASN A 29 10.610 8.492 8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.270 7.703 7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.805 7.515 6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.873 5.516 10.024 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.579 7.257 9.963 1.00 0.00 H new ATOM 445 N LEU A 30 9.986 10.578 6.509 1.00 0.00 N ATOM 446 CA LEU A 30 10.699 11.478 5.553 1.00 0.00 C ATOM 447 C LEU A 30 11.780 12.297 6.274 1.00 0.00 C ATOM 448 O LEU A 30 12.913 12.334 5.839 1.00 0.00 O ATOM 449 CB LEU A 30 9.613 12.396 4.990 1.00 0.00 C ATOM 450 CG LEU A 30 9.162 11.874 3.625 1.00 0.00 C ATOM 451 CD1 LEU A 30 7.950 12.676 3.147 1.00 0.00 C ATOM 452 CD2 LEU A 30 10.304 12.029 2.618 1.00 0.00 C ATOM 0 H LEU A 30 8.975 10.706 6.559 1.00 0.00 H new ATOM 0 HA LEU A 30 11.210 10.917 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.765 12.436 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.994 13.413 4.895 1.00 0.00 H new ATOM 0 HG LEU A 30 8.891 10.822 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.628 12.304 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.136 12.568 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.221 13.728 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.984 11.657 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.574 13.082 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.169 11.459 2.958 1.00 0.00 H new ATOM 464 N PRO A 31 11.400 12.921 7.355 1.00 0.00 N ATOM 465 CA PRO A 31 12.365 13.736 8.135 1.00 0.00 C ATOM 466 C PRO A 31 13.533 12.867 8.613 1.00 0.00 C ATOM 467 O PRO A 31 14.594 13.364 8.939 1.00 0.00 O ATOM 468 CB PRO A 31 11.550 14.245 9.325 1.00 0.00 C ATOM 469 CG PRO A 31 10.115 14.050 8.948 1.00 0.00 C ATOM 470 CD PRO A 31 10.062 12.932 7.940 1.00 0.00 C ATOM 0 HA PRO A 31 12.800 14.547 7.551 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.795 13.692 10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.763 15.295 9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.518 13.804 9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.701 14.966 8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.825 11.979 8.413 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.297 13.112 7.184 1.00 0.00 H new ATOM 478 N ARG A 32 13.349 11.576 8.657 1.00 0.00 N ATOM 479 CA ARG A 32 14.451 10.678 9.114 1.00 0.00 C ATOM 480 C ARG A 32 14.364 9.328 8.394 1.00 0.00 C ATOM 481 O ARG A 32 14.402 8.281 9.009 1.00 0.00 O ATOM 482 CB ARG A 32 14.222 10.502 10.615 1.00 0.00 C ATOM 483 CG ARG A 32 15.351 9.659 11.210 1.00 0.00 C ATOM 484 CD ARG A 32 15.307 9.747 12.737 1.00 0.00 C ATOM 485 NE ARG A 32 16.430 10.656 13.102 1.00 0.00 N ATOM 486 CZ ARG A 32 16.614 11.000 14.348 1.00 0.00 C ATOM 487 NH1 ARG A 32 15.815 10.549 15.276 1.00 0.00 N ATOM 488 NH2 ARG A 32 17.599 11.795 14.665 1.00 0.00 N ATOM 0 H ARG A 32 12.484 11.103 8.397 1.00 0.00 H new ATOM 0 HA ARG A 32 15.437 11.090 8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.185 11.475 11.104 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.261 10.019 10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.250 8.621 10.892 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.315 10.012 10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.351 10.141 13.082 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.430 8.765 13.193 1.00 0.00 H new ATOM 0 HE ARG A 32 17.055 11.010 12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.046 9.927 15.028 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.960 10.819 16.249 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.224 12.147 13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.744 12.065 15.638 1.00 0.00 H new ATOM 502 N ASP A 33 14.262 9.348 7.094 1.00 0.00 N ATOM 503 CA ASP A 33 14.190 8.067 6.332 1.00 0.00 C ATOM 504 C ASP A 33 15.549 7.751 5.700 1.00 0.00 C ATOM 505 O ASP A 33 15.874 8.257 4.645 1.00 0.00 O ATOM 506 CB ASP A 33 13.140 8.311 5.247 1.00 0.00 C ATOM 507 CG ASP A 33 11.938 7.398 5.486 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.845 6.843 6.569 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.128 7.269 4.583 1.00 0.00 O ATOM 0 H ASP A 33 14.225 10.194 6.526 1.00 0.00 H new ATOM 0 HA ASP A 33 13.931 7.221 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.825 9.355 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.567 8.118 4.263 1.00 0.00 H new ATOM 514 N LYS A 34 16.345 6.918 6.315 1.00 0.00 N ATOM 515 CA LYS A 34 17.671 6.588 5.712 1.00 0.00 C ATOM 516 C LYS A 34 17.483 5.646 4.526 1.00 0.00 C ATOM 517 O LYS A 34 18.064 5.826 3.473 1.00 0.00 O ATOM 518 CB LYS A 34 18.468 5.891 6.820 1.00 0.00 C ATOM 519 CG LYS A 34 18.145 6.525 8.176 1.00 0.00 C ATOM 520 CD LYS A 34 18.179 8.050 8.053 1.00 0.00 C ATOM 521 CE LYS A 34 19.223 8.617 9.017 1.00 0.00 C ATOM 522 NZ LYS A 34 18.832 8.095 10.357 1.00 0.00 N ATOM 0 H LYS A 34 16.139 6.455 7.200 1.00 0.00 H new ATOM 0 HA LYS A 34 18.184 7.478 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.226 4.828 6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.536 5.972 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.162 6.200 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.866 6.195 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.420 8.338 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.197 8.466 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.228 8.294 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.223 9.707 9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.962 8.840 11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.834 7.804 10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.427 7.276 10.598 1.00 0.00 H new ATOM 536 N PHE A 35 16.674 4.641 4.695 1.00 0.00 N ATOM 537 CA PHE A 35 16.440 3.674 3.584 1.00 0.00 C ATOM 538 C PHE A 35 15.598 4.327 2.486 1.00 0.00 C ATOM 539 O PHE A 35 15.870 4.174 1.312 1.00 0.00 O ATOM 540 CB PHE A 35 15.691 2.501 4.221 1.00 0.00 C ATOM 541 CG PHE A 35 14.392 2.986 4.821 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.239 3.051 4.030 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.341 3.365 6.167 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.034 3.497 4.587 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.137 3.811 6.723 1.00 0.00 C ATOM 546 CZ PHE A 35 11.983 3.878 5.933 1.00 0.00 C ATOM 0 H PHE A 35 16.162 4.445 5.555 1.00 0.00 H new ATOM 0 HA PHE A 35 17.370 3.349 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.492 1.735 3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.308 2.040 4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.279 2.758 2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.231 3.313 6.777 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.144 3.547 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.098 4.104 7.762 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.054 4.223 6.362 1.00 0.00 H new ATOM 556 N LEU A 36 14.585 5.061 2.855 1.00 0.00 N ATOM 557 CA LEU A 36 13.741 5.727 1.822 1.00 0.00 C ATOM 558 C LEU A 36 14.611 6.665 0.982 1.00 0.00 C ATOM 559 O LEU A 36 14.482 6.741 -0.223 1.00 0.00 O ATOM 560 CB LEU A 36 12.696 6.519 2.608 1.00 0.00 C ATOM 561 CG LEU A 36 11.321 6.333 1.961 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.400 6.702 0.477 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.885 4.872 2.097 1.00 0.00 C ATOM 0 H LEU A 36 14.306 5.228 3.822 1.00 0.00 H new ATOM 0 HA LEU A 36 13.273 5.017 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.671 6.180 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.962 7.576 2.624 1.00 0.00 H new ATOM 0 HG LEU A 36 10.597 6.978 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.421 6.569 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.710 7.742 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.125 6.057 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.906 4.740 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.610 4.228 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.828 4.606 3.153 1.00 0.00 H new ATOM 575 N LYS A 37 15.510 7.369 1.616 1.00 0.00 N ATOM 576 CA LYS A 37 16.407 8.292 0.864 1.00 0.00 C ATOM 577 C LYS A 37 17.203 7.502 -0.171 1.00 0.00 C ATOM 578 O LYS A 37 17.523 7.987 -1.238 1.00 0.00 O ATOM 579 CB LYS A 37 17.344 8.869 1.921 1.00 0.00 C ATOM 580 CG LYS A 37 17.293 10.392 1.870 1.00 0.00 C ATOM 581 CD LYS A 37 16.547 10.910 3.100 1.00 0.00 C ATOM 582 CE LYS A 37 15.445 11.876 2.660 1.00 0.00 C ATOM 583 NZ LYS A 37 14.195 11.066 2.682 1.00 0.00 N ATOM 0 H LYS A 37 15.662 7.344 2.624 1.00 0.00 H new ATOM 0 HA LYS A 37 15.860 9.070 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.053 8.518 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.363 8.523 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.303 10.801 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.791 10.721 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.115 10.077 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.240 11.415 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.375 12.729 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.642 12.272 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.392 11.659 2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.289 10.265 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.030 10.708 3.644 1.00 0.00 H new ATOM 597 N GLU A 38 17.514 6.280 0.146 1.00 0.00 N ATOM 598 CA GLU A 38 18.283 5.427 -0.804 1.00 0.00 C ATOM 599 C GLU A 38 17.403 5.054 -2.001 1.00 0.00 C ATOM 600 O GLU A 38 17.827 5.113 -3.138 1.00 0.00 O ATOM 601 CB GLU A 38 18.660 4.180 -0.004 1.00 0.00 C ATOM 602 CG GLU A 38 20.164 3.929 -0.128 1.00 0.00 C ATOM 603 CD GLU A 38 20.580 2.826 0.845 1.00 0.00 C ATOM 604 OE1 GLU A 38 19.748 1.986 1.148 1.00 0.00 O ATOM 605 OE2 GLU A 38 21.723 2.838 1.272 1.00 0.00 O ATOM 0 H GLU A 38 17.268 5.830 1.028 1.00 0.00 H new ATOM 0 HA GLU A 38 19.163 5.935 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.388 4.311 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.105 3.317 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.412 3.640 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.715 4.845 0.087 1.00 0.00 H new ATOM 612 N GLN A 39 16.180 4.672 -1.751 1.00 0.00 N ATOM 613 CA GLN A 39 15.270 4.297 -2.872 1.00 0.00 C ATOM 614 C GLN A 39 14.860 5.545 -3.660 1.00 0.00 C ATOM 615 O GLN A 39 14.823 5.540 -4.875 1.00 0.00 O ATOM 616 CB GLN A 39 14.052 3.664 -2.198 1.00 0.00 C ATOM 617 CG GLN A 39 14.328 2.185 -1.927 1.00 0.00 C ATOM 618 CD GLN A 39 14.664 1.478 -3.242 1.00 0.00 C ATOM 619 OE1 GLN A 39 13.925 1.573 -4.202 1.00 0.00 O ATOM 620 NE2 GLN A 39 15.756 0.769 -3.326 1.00 0.00 N ATOM 0 H GLN A 39 15.771 4.603 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 39 15.744 3.616 -3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.831 4.180 -1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.175 3.770 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.155 2.081 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.457 1.721 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.376 0.690 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.990 0.294 -4.198 1.00 0.00 H new ATOM 629 N ILE A 40 14.555 6.614 -2.978 1.00 0.00 N ATOM 630 CA ILE A 40 14.152 7.858 -3.694 1.00 0.00 C ATOM 631 C ILE A 40 15.339 8.405 -4.490 1.00 0.00 C ATOM 632 O ILE A 40 15.187 8.900 -5.589 1.00 0.00 O ATOM 633 CB ILE A 40 13.729 8.845 -2.604 1.00 0.00 C ATOM 634 CG1 ILE A 40 14.971 9.370 -1.878 1.00 0.00 C ATOM 635 CG2 ILE A 40 12.812 8.144 -1.599 1.00 0.00 C ATOM 636 CD1 ILE A 40 14.561 10.482 -0.909 1.00 0.00 C ATOM 0 H ILE A 40 14.567 6.681 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 40 13.342 7.681 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 40 13.194 9.677 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.458 8.560 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.694 9.750 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.513 8.851 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.925 7.773 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.343 7.309 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 40 15.444 10.857 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.094 11.295 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.853 10.087 -0.180 1.00 0.00 H new ATOM 648 N LYS A 41 16.521 8.313 -3.946 1.00 0.00 N ATOM 649 CA LYS A 41 17.719 8.821 -4.673 1.00 0.00 C ATOM 650 C LYS A 41 18.101 7.848 -5.790 1.00 0.00 C ATOM 651 O LYS A 41 18.650 8.233 -6.803 1.00 0.00 O ATOM 652 CB LYS A 41 18.824 8.889 -3.618 1.00 0.00 C ATOM 653 CG LYS A 41 18.683 10.181 -2.812 1.00 0.00 C ATOM 654 CD LYS A 41 20.056 10.609 -2.290 1.00 0.00 C ATOM 655 CE LYS A 41 19.891 11.329 -0.949 1.00 0.00 C ATOM 656 NZ LYS A 41 21.153 11.054 -0.208 1.00 0.00 N ATOM 0 H LYS A 41 16.709 7.908 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 41 17.544 9.791 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.762 8.026 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.802 8.852 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.258 10.967 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.996 10.030 -1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.699 9.737 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.542 11.267 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.742 12.399 -1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.024 10.956 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.116 11.515 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.265 10.028 -0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.960 11.427 -0.747 1.00 0.00 H new ATOM 670 N LEU A 42 17.807 6.589 -5.613 1.00 0.00 N ATOM 671 CA LEU A 42 18.146 5.587 -6.663 1.00 0.00 C ATOM 672 C LEU A 42 17.702 6.095 -8.038 1.00 0.00 C ATOM 673 O LEU A 42 18.409 5.966 -9.018 1.00 0.00 O ATOM 674 CB LEU A 42 17.364 4.332 -6.272 1.00 0.00 C ATOM 675 CG LEU A 42 17.298 3.375 -7.463 1.00 0.00 C ATOM 676 CD1 LEU A 42 18.716 2.989 -7.887 1.00 0.00 C ATOM 677 CD2 LEU A 42 16.526 2.117 -7.059 1.00 0.00 C ATOM 0 H LEU A 42 17.346 6.211 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 42 19.217 5.396 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 42 17.844 3.842 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.357 4.603 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 42 16.791 3.863 -8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.669 2.307 -8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.267 3.885 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 42 19.224 2.499 -7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.477 1.433 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.035 1.629 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.516 2.392 -6.756 1.00 0.00 H new ATOM 689 N ASP A 43 16.537 6.677 -8.114 1.00 0.00 N ATOM 690 CA ASP A 43 16.044 7.202 -9.419 1.00 0.00 C ATOM 691 C ASP A 43 15.424 8.588 -9.222 1.00 0.00 C ATOM 692 O ASP A 43 16.073 9.504 -8.755 1.00 0.00 O ATOM 693 CB ASP A 43 14.990 6.193 -9.878 1.00 0.00 C ATOM 694 CG ASP A 43 14.653 6.438 -11.349 1.00 0.00 C ATOM 695 OD1 ASP A 43 13.792 7.262 -11.611 1.00 0.00 O ATOM 696 OD2 ASP A 43 15.260 5.796 -12.191 1.00 0.00 O ATOM 0 H ASP A 43 15.903 6.812 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 43 16.841 7.313 -10.154 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.362 5.177 -9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.092 6.287 -9.268 1.00 0.00 H new ATOM 701 N GLU A 44 14.174 8.754 -9.564 1.00 0.00 N ATOM 702 CA GLU A 44 13.525 10.084 -9.384 1.00 0.00 C ATOM 703 C GLU A 44 12.537 10.025 -8.216 1.00 0.00 C ATOM 704 O GLU A 44 11.489 10.639 -8.245 1.00 0.00 O ATOM 705 CB GLU A 44 12.785 10.347 -10.697 1.00 0.00 C ATOM 706 CG GLU A 44 12.685 11.855 -10.932 1.00 0.00 C ATOM 707 CD GLU A 44 12.357 12.123 -12.401 1.00 0.00 C ATOM 708 OE1 GLU A 44 13.116 11.680 -13.248 1.00 0.00 O ATOM 709 OE2 GLU A 44 11.352 12.766 -12.657 1.00 0.00 O ATOM 0 H GLU A 44 13.576 8.028 -9.959 1.00 0.00 H new ATOM 0 HA GLU A 44 14.245 10.871 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.312 9.873 -11.525 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.788 9.907 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.913 12.283 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.625 12.338 -10.664 1.00 0.00 H new ATOM 716 N GLY A 45 12.860 9.282 -7.192 1.00 0.00 N ATOM 717 CA GLY A 45 11.936 9.175 -6.030 1.00 0.00 C ATOM 718 C GLY A 45 11.017 7.972 -6.230 1.00 0.00 C ATOM 719 O GLY A 45 10.382 7.499 -5.309 1.00 0.00 O ATOM 0 H GLY A 45 13.724 8.745 -7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.505 9.064 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.346 10.087 -5.934 1.00 0.00 H new ATOM 723 N TRP A 46 10.933 7.481 -7.436 1.00 0.00 N ATOM 724 CA TRP A 46 10.047 6.315 -7.710 1.00 0.00 C ATOM 725 C TRP A 46 10.523 5.073 -6.951 1.00 0.00 C ATOM 726 O TRP A 46 11.618 4.585 -7.151 1.00 0.00 O ATOM 727 CB TRP A 46 10.149 6.090 -9.218 1.00 0.00 C ATOM 728 CG TRP A 46 9.215 7.020 -9.922 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.544 7.799 -10.978 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.810 7.287 -9.638 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.432 8.527 -11.361 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.338 8.246 -10.565 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.908 6.795 -8.675 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.019 8.701 -10.539 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.581 7.251 -8.646 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.137 8.202 -9.576 1.00 0.00 C ATOM 0 H TRP A 46 11.441 7.838 -8.245 1.00 0.00 H new ATOM 0 HA TRP A 46 9.023 6.500 -7.386 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.172 6.261 -9.554 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.902 5.056 -9.460 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.516 7.845 -11.446 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.421 9.190 -12.136 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.239 6.062 -7.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.682 9.433 -11.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.898 6.867 -7.903 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.115 8.549 -9.548 1.00 0.00 H new ATOM 747 N VAL A 47 9.690 4.552 -6.095 1.00 0.00 N ATOM 748 CA VAL A 47 10.061 3.329 -5.326 1.00 0.00 C ATOM 749 C VAL A 47 9.028 2.232 -5.598 1.00 0.00 C ATOM 750 O VAL A 47 7.851 2.511 -5.701 1.00 0.00 O ATOM 751 CB VAL A 47 10.032 3.751 -3.857 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.652 2.648 -2.997 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.835 5.042 -3.684 1.00 0.00 C ATOM 0 H VAL A 47 8.761 4.922 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 47 11.039 2.935 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 47 9.001 3.918 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.632 2.949 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.083 1.727 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.684 2.482 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.816 5.345 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.866 4.873 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.396 5.829 -4.297 1.00 0.00 H new ATOM 763 N PRO A 48 9.494 1.020 -5.722 1.00 0.00 N ATOM 764 CA PRO A 48 8.592 -0.105 -6.001 1.00 0.00 C ATOM 765 C PRO A 48 8.041 -0.675 -4.696 1.00 0.00 C ATOM 766 O PRO A 48 8.663 -0.601 -3.655 1.00 0.00 O ATOM 767 CB PRO A 48 9.487 -1.121 -6.705 1.00 0.00 C ATOM 768 CG PRO A 48 10.904 -0.683 -6.454 1.00 0.00 C ATOM 769 CD PRO A 48 10.873 0.571 -5.614 1.00 0.00 C ATOM 0 HA PRO A 48 7.727 0.176 -6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.316 -2.125 -6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.273 -1.152 -7.773 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.459 -1.469 -5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.416 -0.495 -7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.149 0.368 -4.579 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.570 1.321 -5.988 1.00 0.00 H new ATOM 777 N LEU A 49 6.867 -1.227 -4.748 1.00 0.00 N ATOM 778 CA LEU A 49 6.244 -1.791 -3.515 1.00 0.00 C ATOM 779 C LEU A 49 7.137 -2.863 -2.886 1.00 0.00 C ATOM 780 O LEU A 49 6.814 -3.413 -1.853 1.00 0.00 O ATOM 781 CB LEU A 49 4.927 -2.410 -3.985 1.00 0.00 C ATOM 782 CG LEU A 49 4.054 -1.335 -4.634 1.00 0.00 C ATOM 783 CD1 LEU A 49 2.788 -1.981 -5.201 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.666 -0.292 -3.584 1.00 0.00 C ATOM 0 H LEU A 49 6.305 -1.315 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 49 6.097 -1.025 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.124 -3.211 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.402 -2.857 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 49 4.609 -0.853 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.165 -1.216 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.063 -2.726 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.233 -2.462 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.044 0.475 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.111 -0.775 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.567 0.168 -3.178 1.00 0.00 H new ATOM 796 N GLU A 50 8.272 -3.146 -3.466 1.00 0.00 N ATOM 797 CA GLU A 50 9.166 -4.159 -2.843 1.00 0.00 C ATOM 798 C GLU A 50 9.689 -3.577 -1.537 1.00 0.00 C ATOM 799 O GLU A 50 9.730 -4.227 -0.512 1.00 0.00 O ATOM 800 CB GLU A 50 10.306 -4.378 -3.838 1.00 0.00 C ATOM 801 CG GLU A 50 11.080 -3.077 -4.045 1.00 0.00 C ATOM 802 CD GLU A 50 12.241 -3.328 -5.011 1.00 0.00 C ATOM 803 OE1 GLU A 50 11.973 -3.658 -6.154 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.377 -3.188 -4.589 1.00 0.00 O ATOM 0 H GLU A 50 8.614 -2.726 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 50 8.665 -5.102 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.977 -5.154 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.906 -4.728 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.420 -2.307 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.458 -2.710 -3.091 1.00 0.00 H new ATOM 811 N ILE A 51 10.057 -2.332 -1.580 1.00 0.00 N ATOM 812 CA ILE A 51 10.555 -1.642 -0.360 1.00 0.00 C ATOM 813 C ILE A 51 9.451 -1.626 0.698 1.00 0.00 C ATOM 814 O ILE A 51 9.681 -1.838 1.873 1.00 0.00 O ATOM 815 CB ILE A 51 10.833 -0.206 -0.807 1.00 0.00 C ATOM 816 CG1 ILE A 51 11.593 -0.188 -2.136 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.652 0.502 0.263 1.00 0.00 C ATOM 818 CD1 ILE A 51 12.761 -1.170 -2.088 1.00 0.00 C ATOM 0 H ILE A 51 10.034 -1.753 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 51 11.434 -2.130 0.062 1.00 0.00 H new ATOM 0 HB ILE A 51 9.883 0.309 -0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.920 -0.452 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.962 0.817 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.853 1.526 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.095 0.512 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.595 -0.025 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.294 -1.148 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.441 -0.888 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.383 -2.176 -1.907 1.00 0.00 H new ATOM 830 N MET A 52 8.253 -1.367 0.264 1.00 0.00 N ATOM 831 CA MET A 52 7.092 -1.320 1.197 1.00 0.00 C ATOM 832 C MET A 52 6.628 -2.731 1.577 1.00 0.00 C ATOM 833 O MET A 52 6.307 -3.004 2.717 1.00 0.00 O ATOM 834 CB MET A 52 5.999 -0.591 0.415 1.00 0.00 C ATOM 835 CG MET A 52 6.063 0.910 0.714 1.00 0.00 C ATOM 836 SD MET A 52 7.786 1.468 0.673 1.00 0.00 S ATOM 837 CE MET A 52 7.830 2.187 2.333 1.00 0.00 C ATOM 0 H MET A 52 8.023 -1.183 -0.713 1.00 0.00 H new ATOM 0 HA MET A 52 7.343 -0.820 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.126 -0.764 -0.654 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.020 -0.984 0.688 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.474 1.462 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.628 1.115 1.692 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.863 2.389 2.615 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.263 3.118 2.341 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.390 1.488 3.044 1.00 0.00 H new ATOM 847 N ILE A 53 6.561 -3.621 0.624 1.00 0.00 N ATOM 848 CA ILE A 53 6.086 -5.007 0.922 1.00 0.00 C ATOM 849 C ILE A 53 7.229 -5.908 1.400 1.00 0.00 C ATOM 850 O ILE A 53 7.033 -7.084 1.633 1.00 0.00 O ATOM 851 CB ILE A 53 5.517 -5.531 -0.396 1.00 0.00 C ATOM 852 CG1 ILE A 53 6.665 -5.892 -1.341 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.636 -4.459 -1.044 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.728 -7.411 -1.511 1.00 0.00 C ATOM 0 H ILE A 53 6.814 -3.450 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 53 5.347 -5.003 1.723 1.00 0.00 H new ATOM 0 HB ILE A 53 4.915 -6.418 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.518 -5.413 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.609 -5.521 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.233 -4.838 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.815 -4.208 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.232 -3.567 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.546 -7.668 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.896 -7.879 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.787 -7.770 -1.929 1.00 0.00 H new ATOM 866 N LYS A 54 8.417 -5.391 1.555 1.00 0.00 N ATOM 867 CA LYS A 54 9.536 -6.259 2.024 1.00 0.00 C ATOM 868 C LYS A 54 9.858 -5.956 3.489 1.00 0.00 C ATOM 869 O LYS A 54 10.368 -6.792 4.209 1.00 0.00 O ATOM 870 CB LYS A 54 10.723 -5.901 1.129 1.00 0.00 C ATOM 871 CG LYS A 54 11.986 -6.585 1.658 1.00 0.00 C ATOM 872 CD LYS A 54 13.182 -6.195 0.786 1.00 0.00 C ATOM 873 CE LYS A 54 13.557 -4.736 1.055 1.00 0.00 C ATOM 874 NZ LYS A 54 15.023 -4.663 0.801 1.00 0.00 N ATOM 0 H LYS A 54 8.661 -4.416 1.380 1.00 0.00 H new ATOM 0 HA LYS A 54 9.289 -7.319 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.528 -6.217 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.863 -4.820 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.165 -6.291 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.856 -7.667 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.030 -6.845 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.937 -6.330 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.008 -4.060 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.319 -4.449 2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.356 -3.691 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.520 -5.312 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.219 -4.935 -0.184 1.00 0.00 H new ATOM 888 N PHE A 55 9.564 -4.766 3.935 1.00 0.00 N ATOM 889 CA PHE A 55 9.852 -4.408 5.354 1.00 0.00 C ATOM 890 C PHE A 55 8.907 -5.165 6.291 1.00 0.00 C ATOM 891 O PHE A 55 7.770 -5.435 5.957 1.00 0.00 O ATOM 892 CB PHE A 55 9.600 -2.902 5.440 1.00 0.00 C ATOM 893 CG PHE A 55 10.921 -2.172 5.470 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.817 -2.390 6.523 1.00 0.00 C ATOM 895 CD2 PHE A 55 11.251 -1.278 4.444 1.00 0.00 C ATOM 896 CE1 PHE A 55 13.043 -1.715 6.552 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.478 -0.603 4.472 1.00 0.00 C ATOM 898 CZ PHE A 55 13.373 -0.820 5.526 1.00 0.00 C ATOM 0 H PHE A 55 9.137 -4.025 3.379 1.00 0.00 H new ATOM 0 HA PHE A 55 10.868 -4.669 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.009 -2.572 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.023 -2.669 6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.562 -3.080 7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.560 -1.109 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.734 -1.884 7.365 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.734 0.085 3.680 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.318 -0.298 5.548 1.00 0.00 H new ATOM 908 N ASN A 56 9.369 -5.511 7.461 1.00 0.00 N ATOM 909 CA ASN A 56 8.498 -6.252 8.418 1.00 0.00 C ATOM 910 C ASN A 56 7.251 -5.425 8.745 1.00 0.00 C ATOM 911 O ASN A 56 6.225 -5.954 9.124 1.00 0.00 O ATOM 912 CB ASN A 56 9.357 -6.446 9.668 1.00 0.00 C ATOM 913 CG ASN A 56 9.965 -5.105 10.083 1.00 0.00 C ATOM 914 OD1 ASN A 56 9.590 -4.070 9.569 1.00 0.00 O ATOM 915 ND2 ASN A 56 10.896 -5.080 10.998 1.00 0.00 N ATOM 0 H ASN A 56 10.312 -5.313 7.796 1.00 0.00 H new ATOM 0 HA ASN A 56 8.152 -7.202 8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.751 -6.849 10.479 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.147 -7.170 9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.309 -4.191 11.282 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.211 -5.949 11.429 1.00 0.00 H new ATOM 922 N ARG A 57 7.332 -4.130 8.600 1.00 0.00 N ATOM 923 CA ARG A 57 6.151 -3.269 8.903 1.00 0.00 C ATOM 924 C ARG A 57 4.972 -3.656 8.006 1.00 0.00 C ATOM 925 O ARG A 57 3.850 -3.772 8.456 1.00 0.00 O ATOM 926 CB ARG A 57 6.613 -1.844 8.599 1.00 0.00 C ATOM 927 CG ARG A 57 6.818 -1.084 9.910 1.00 0.00 C ATOM 928 CD ARG A 57 8.016 -0.141 9.771 1.00 0.00 C ATOM 929 NE ARG A 57 8.216 0.427 11.133 1.00 0.00 N ATOM 930 CZ ARG A 57 8.749 -0.305 12.074 1.00 0.00 C ATOM 931 NH1 ARG A 57 9.106 -1.535 11.824 1.00 0.00 N ATOM 932 NH2 ARG A 57 8.923 0.194 13.267 1.00 0.00 N ATOM 0 H ARG A 57 8.164 -3.631 8.285 1.00 0.00 H new ATOM 0 HA ARG A 57 5.813 -3.376 9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.542 -1.865 8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.873 -1.334 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.921 -0.516 10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.987 -1.786 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.903 -0.676 9.432 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.819 0.644 9.041 1.00 0.00 H new ATOM 0 HE ARG A 57 7.937 1.388 11.331 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.969 -1.926 10.892 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.522 -2.105 12.560 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.643 1.155 13.464 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.339 -0.377 14.003 1.00 0.00 H new ATOM 946 N LEU A 58 5.217 -3.854 6.740 1.00 0.00 N ATOM 947 CA LEU A 58 4.110 -4.233 5.816 1.00 0.00 C ATOM 948 C LEU A 58 4.042 -5.755 5.668 1.00 0.00 C ATOM 949 O LEU A 58 2.977 -6.333 5.580 1.00 0.00 O ATOM 950 CB LEU A 58 4.469 -3.580 4.480 1.00 0.00 C ATOM 951 CG LEU A 58 3.204 -3.015 3.831 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.583 -1.896 2.860 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.484 -4.129 3.067 1.00 0.00 C ATOM 0 H LEU A 58 6.136 -3.770 6.305 1.00 0.00 H new ATOM 0 HA LEU A 58 3.137 -3.906 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.197 -2.784 4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.934 -4.311 3.819 1.00 0.00 H new ATOM 0 HG LEU A 58 2.546 -2.617 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.681 -1.494 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.098 -1.103 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.241 -2.293 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.582 -3.728 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.143 -4.525 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.213 -4.928 3.758 1.00 0.00 H new ATOM 965 N ASN A 59 5.172 -6.408 5.641 1.00 0.00 N ATOM 966 CA ASN A 59 5.172 -7.893 5.499 1.00 0.00 C ATOM 967 C ASN A 59 4.327 -8.531 6.605 1.00 0.00 C ATOM 968 O ASN A 59 3.860 -9.645 6.477 1.00 0.00 O ATOM 969 CB ASN A 59 6.638 -8.304 5.639 1.00 0.00 C ATOM 970 CG ASN A 59 6.724 -9.813 5.876 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.623 -10.271 6.995 1.00 0.00 O ATOM 972 ND2 ASN A 59 6.909 -10.609 4.858 1.00 0.00 N ATOM 0 H ASN A 59 6.094 -5.978 5.711 1.00 0.00 H new ATOM 0 HA ASN A 59 4.747 -8.217 4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.190 -8.034 4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.100 -7.768 6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.969 -11.617 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.994 -10.223 3.918 1.00 0.00 H new ATOM 979 N ARG A 60 4.127 -7.834 7.689 1.00 0.00 N ATOM 980 CA ARG A 60 3.312 -8.402 8.802 1.00 0.00 C ATOM 981 C ARG A 60 1.834 -8.453 8.404 1.00 0.00 C ATOM 982 O ARG A 60 1.008 -8.984 9.118 1.00 0.00 O ATOM 983 CB ARG A 60 3.521 -7.444 9.975 1.00 0.00 C ATOM 984 CG ARG A 60 3.017 -8.096 11.263 1.00 0.00 C ATOM 985 CD ARG A 60 3.692 -7.436 12.468 1.00 0.00 C ATOM 986 NE ARG A 60 3.566 -5.973 12.226 1.00 0.00 N ATOM 987 CZ ARG A 60 4.326 -5.134 12.877 1.00 0.00 C ATOM 988 NH1 ARG A 60 5.198 -5.578 13.741 1.00 0.00 N ATOM 989 NH2 ARG A 60 4.214 -3.851 12.664 1.00 0.00 N ATOM 0 H ARG A 60 4.492 -6.896 7.853 1.00 0.00 H new ATOM 0 HA ARG A 60 3.607 -9.421 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.578 -7.195 10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.988 -6.510 9.795 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.935 -7.991 11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.234 -9.164 11.251 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.206 -7.725 13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.737 -7.734 12.547 1.00 0.00 H new ATOM 0 HE ARG A 60 2.885 -5.625 11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.286 -6.580 13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.792 -4.922 14.249 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.533 -3.504 11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.808 -3.196 13.173 1.00 0.00 H new ATOM 1003 N LEU A 61 1.495 -7.901 7.270 1.00 0.00 N ATOM 1004 CA LEU A 61 0.068 -7.918 6.831 1.00 0.00 C ATOM 1005 C LEU A 61 -0.024 -8.241 5.336 1.00 0.00 C ATOM 1006 O LEU A 61 0.654 -9.119 4.839 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.446 -6.506 7.112 1.00 0.00 C ATOM 1008 CG LEU A 61 -0.293 -6.192 8.601 1.00 0.00 C ATOM 1009 CD1 LEU A 61 0.677 -5.023 8.779 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.657 -5.817 9.183 1.00 0.00 C ATOM 0 H LEU A 61 2.142 -7.440 6.630 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.517 -8.676 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.110 -5.781 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.492 -6.424 6.818 1.00 0.00 H new ATOM 0 HG LEU A 61 0.096 -7.068 9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.786 -4.799 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.648 -5.290 8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.289 -4.146 8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.551 -5.593 10.244 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.045 -4.941 8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.348 -6.650 9.056 1.00 0.00 H new ATOM 1022 N THR A 62 -0.857 -7.541 4.616 1.00 0.00 N ATOM 1023 CA THR A 62 -0.992 -7.809 3.155 1.00 0.00 C ATOM 1024 C THR A 62 0.384 -8.040 2.525 1.00 0.00 C ATOM 1025 O THR A 62 0.848 -9.158 2.419 1.00 0.00 O ATOM 1026 CB THR A 62 -1.640 -6.549 2.578 1.00 0.00 C ATOM 1027 OG1 THR A 62 -3.015 -6.522 2.931 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.502 -6.553 1.055 1.00 0.00 C ATOM 0 H THR A 62 -1.451 -6.794 4.976 1.00 0.00 H new ATOM 0 HA THR A 62 -1.585 -8.702 2.955 1.00 0.00 H new ATOM 0 HB THR A 62 -1.143 -5.667 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.171 -5.810 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.964 -5.655 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.446 -6.573 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.997 -7.434 0.647 1.00 0.00 H new ATOM 1036 N THR A 63 1.038 -6.991 2.105 1.00 0.00 N ATOM 1037 CA THR A 63 2.384 -7.144 1.480 1.00 0.00 C ATOM 1038 C THR A 63 2.256 -7.777 0.090 1.00 0.00 C ATOM 1039 O THR A 63 3.235 -7.997 -0.594 1.00 0.00 O ATOM 1040 CB THR A 63 3.160 -8.068 2.421 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.798 -7.785 3.764 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.661 -7.844 2.235 1.00 0.00 C ATOM 0 H THR A 63 0.697 -6.032 2.168 1.00 0.00 H new ATOM 0 HA THR A 63 2.886 -6.186 1.347 1.00 0.00 H new ATOM 0 HB THR A 63 2.920 -9.106 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.745 -6.815 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.213 -8.503 2.906 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.936 -8.063 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.905 -6.806 2.463 1.00 0.00 H new ATOM 1050 N ASP A 64 1.055 -8.067 -0.333 1.00 0.00 N ATOM 1051 CA ASP A 64 0.868 -8.681 -1.679 1.00 0.00 C ATOM 1052 C ASP A 64 0.811 -7.591 -2.752 1.00 0.00 C ATOM 1053 O ASP A 64 -0.078 -6.762 -2.760 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.467 -9.422 -1.595 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.302 -10.837 -2.153 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.210 -10.967 -3.363 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -0.271 -11.765 -1.362 1.00 0.00 O ATOM 0 H ASP A 64 0.197 -7.906 0.194 1.00 0.00 H new ATOM 0 HA ASP A 64 1.687 -9.348 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.806 -9.465 -0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.230 -8.884 -2.158 1.00 0.00 H new ATOM 1062 N PHE A 65 1.754 -7.581 -3.653 1.00 0.00 N ATOM 1063 CA PHE A 65 1.753 -6.541 -4.721 1.00 0.00 C ATOM 1064 C PHE A 65 0.335 -6.325 -5.256 1.00 0.00 C ATOM 1065 O PHE A 65 -0.095 -5.207 -5.463 1.00 0.00 O ATOM 1066 CB PHE A 65 2.658 -7.096 -5.822 1.00 0.00 C ATOM 1067 CG PHE A 65 4.104 -6.922 -5.426 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.541 -5.710 -4.874 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.011 -7.971 -5.616 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.882 -5.551 -4.512 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.354 -7.810 -5.253 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.790 -6.599 -4.701 1.00 0.00 C ATOM 0 H PHE A 65 2.525 -8.247 -3.696 1.00 0.00 H new ATOM 0 HA PHE A 65 2.103 -5.577 -4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.441 -8.151 -5.988 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.463 -6.579 -6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.842 -4.899 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.675 -8.905 -6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.218 -4.617 -4.086 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.054 -8.620 -5.399 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.826 -6.474 -4.422 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.396 -7.383 -5.487 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.783 -7.223 -6.013 1.00 0.00 C ATOM 1084 C ASN A 66 -2.701 -6.650 -4.929 1.00 0.00 C ATOM 1085 O ASN A 66 -3.500 -5.771 -5.183 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.226 -8.634 -6.400 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.685 -8.976 -7.791 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -0.748 -8.360 -8.258 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -2.241 -9.939 -8.473 1.00 0.00 N ATOM 0 H ASN A 66 -0.095 -8.346 -5.335 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.825 -6.536 -6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.860 -9.355 -5.669 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.314 -8.699 -6.395 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.889 -10.176 -9.401 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.028 -10.455 -8.079 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.590 -7.133 -3.721 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.454 -6.603 -2.627 1.00 0.00 C ATOM 1098 C VAL A 67 -3.012 -5.185 -2.256 1.00 0.00 C ATOM 1099 O VAL A 67 -3.819 -4.291 -2.096 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.242 -7.557 -1.452 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.193 -7.186 -0.314 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.524 -8.992 -1.904 1.00 0.00 C ATOM 0 H VAL A 67 -1.941 -7.869 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.503 -6.547 -2.916 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.212 -7.480 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.041 -7.867 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.994 -6.164 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.223 -7.262 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.373 -9.673 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.554 -9.068 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.846 -9.258 -2.715 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.732 -4.979 -2.121 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.219 -3.626 -1.762 1.00 0.00 C ATOM 1114 C ILE A 68 -1.511 -2.636 -2.890 1.00 0.00 C ATOM 1115 O ILE A 68 -1.962 -1.531 -2.664 1.00 0.00 O ATOM 1116 CB ILE A 68 0.288 -3.819 -1.592 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.880 -2.607 -0.859 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.951 -3.979 -2.963 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.999 -1.980 -1.696 1.00 0.00 C ATOM 0 H ILE A 68 -1.014 -5.693 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.686 -3.225 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 68 0.473 -4.719 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.100 -1.870 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.270 -2.914 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.025 -4.116 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.532 -4.848 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.768 -3.087 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.412 -1.121 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.785 -2.716 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.597 -1.656 -2.656 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.251 -3.031 -4.101 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.505 -2.124 -5.257 1.00 0.00 C ATOM 1133 C VAL A 69 -2.976 -1.696 -5.287 1.00 0.00 C ATOM 1134 O VAL A 69 -3.291 -0.540 -5.485 1.00 0.00 O ATOM 1135 CB VAL A 69 -1.162 -2.957 -6.493 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.809 -2.333 -7.731 1.00 0.00 C ATOM 1137 CG2 VAL A 69 0.358 -2.990 -6.677 1.00 0.00 C ATOM 0 H VAL A 69 -0.872 -3.946 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.914 -1.210 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.538 -3.971 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.563 -2.929 -8.610 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.891 -2.307 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.435 -1.318 -7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.605 -3.583 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.731 -1.974 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.821 -3.436 -5.797 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.877 -2.619 -5.100 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.327 -2.267 -5.125 1.00 0.00 C ATOM 1149 C GLU A 70 -5.659 -1.258 -4.020 1.00 0.00 C ATOM 1150 O GLU A 70 -6.322 -0.268 -4.250 1.00 0.00 O ATOM 1151 CB GLU A 70 -6.057 -3.586 -4.880 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.513 -4.176 -6.216 1.00 0.00 C ATOM 1153 CD GLU A 70 -8.021 -4.432 -6.174 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -8.743 -3.537 -5.765 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.427 -5.519 -6.550 1.00 0.00 O ATOM 0 H GLU A 70 -3.673 -3.604 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.618 -1.804 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.399 -4.287 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.917 -3.422 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.272 -3.491 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.981 -5.106 -6.415 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.213 -1.508 -2.819 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.515 -0.568 -1.701 1.00 0.00 C ATOM 1164 C ALA A 71 -4.787 0.766 -1.900 1.00 0.00 C ATOM 1165 O ALA A 71 -5.384 1.822 -1.840 1.00 0.00 O ATOM 1166 CB ALA A 71 -5.009 -1.274 -0.442 1.00 0.00 C ATOM 0 H ALA A 71 -4.653 -2.321 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.578 -0.335 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.195 -0.644 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.532 -2.223 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.939 -1.459 -0.534 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.502 0.730 -2.130 1.00 0.00 N ATOM 1173 CA LEU A 72 -2.749 2.003 -2.324 1.00 0.00 C ATOM 1174 C LEU A 72 -3.197 2.702 -3.610 1.00 0.00 C ATOM 1175 O LEU A 72 -3.169 3.912 -3.711 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.277 1.589 -2.416 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.002 0.959 -3.782 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -0.772 2.060 -4.818 1.00 0.00 C ATOM 1179 CD2 LEU A 72 0.248 0.081 -3.690 1.00 0.00 C ATOM 0 H LEU A 72 -2.943 -0.121 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.922 2.708 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.635 2.458 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.039 0.880 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.857 0.353 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.576 1.609 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.659 2.690 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.083 2.667 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.448 -0.370 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.100 0.691 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.087 -0.704 -2.951 1.00 0.00 H new ATOM 1191 N SER A 73 -3.612 1.952 -4.594 1.00 0.00 N ATOM 1192 CA SER A 73 -4.064 2.581 -5.869 1.00 0.00 C ATOM 1193 C SER A 73 -5.436 3.234 -5.676 1.00 0.00 C ATOM 1194 O SER A 73 -5.983 3.830 -6.583 1.00 0.00 O ATOM 1195 CB SER A 73 -4.152 1.433 -6.872 1.00 0.00 C ATOM 1196 OG SER A 73 -5.137 0.504 -6.439 1.00 0.00 O ATOM 0 H SER A 73 -3.658 0.933 -4.571 1.00 0.00 H new ATOM 0 HA SER A 73 -3.384 3.362 -6.208 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.407 1.817 -7.860 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.185 0.939 -6.962 1.00 0.00 H new ATOM 0 HG SER A 73 -5.453 0.755 -5.546 1.00 0.00 H new ATOM 1301 N MET A 80 1.731 11.703 -2.207 1.00 0.00 N ATOM 1302 CA MET A 80 2.798 11.272 -3.156 1.00 0.00 C ATOM 1303 C MET A 80 2.219 11.082 -4.557 1.00 0.00 C ATOM 1304 O MET A 80 1.171 11.601 -4.886 1.00 0.00 O ATOM 1305 CB MET A 80 3.301 9.939 -2.603 1.00 0.00 C ATOM 1306 CG MET A 80 4.146 10.189 -1.353 1.00 0.00 C ATOM 1307 SD MET A 80 3.785 8.914 -0.123 1.00 0.00 S ATOM 1308 CE MET A 80 4.102 7.479 -1.180 1.00 0.00 C ATOM 0 HA MET A 80 3.596 12.010 -3.241 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.457 9.293 -2.361 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.893 9.421 -3.357 1.00 0.00 H new ATOM 0 HG2 MET A 80 5.206 10.175 -1.608 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.929 11.176 -0.945 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.459 6.649 -0.570 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.181 7.188 -1.684 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.857 7.734 -1.923 1.00 0.00 H new ATOM 1318 N GLU A 81 2.898 10.339 -5.385 1.00 0.00 N ATOM 1319 CA GLU A 81 2.395 10.109 -6.770 1.00 0.00 C ATOM 1320 C GLU A 81 2.707 8.677 -7.211 1.00 0.00 C ATOM 1321 O GLU A 81 3.647 8.065 -6.744 1.00 0.00 O ATOM 1322 CB GLU A 81 3.155 11.111 -7.638 1.00 0.00 C ATOM 1323 CG GLU A 81 2.580 12.513 -7.425 1.00 0.00 C ATOM 1324 CD GLU A 81 1.453 12.761 -8.428 1.00 0.00 C ATOM 1325 OE1 GLU A 81 1.758 12.969 -9.591 1.00 0.00 O ATOM 1326 OE2 GLU A 81 0.305 12.741 -8.017 1.00 0.00 O ATOM 0 H GLU A 81 3.781 9.880 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 81 1.315 10.240 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.215 11.099 -7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.077 10.830 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.203 12.612 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.363 13.261 -7.549 1.00 0.00 H new ATOM 1333 N ILE A 82 1.926 8.139 -8.107 1.00 0.00 N ATOM 1334 CA ILE A 82 2.180 6.747 -8.577 1.00 0.00 C ATOM 1335 C ILE A 82 2.362 6.728 -10.097 1.00 0.00 C ATOM 1336 O ILE A 82 1.708 7.456 -10.819 1.00 0.00 O ATOM 1337 CB ILE A 82 0.935 5.957 -8.177 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.545 6.314 -6.740 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.231 4.459 -8.265 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.715 5.541 -6.345 1.00 0.00 C ATOM 0 H ILE A 82 1.124 8.602 -8.534 1.00 0.00 H new ATOM 0 HA ILE A 82 3.086 6.324 -8.142 1.00 0.00 H new ATOM 0 HB ILE A 82 0.115 6.206 -8.851 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.361 6.071 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.368 7.386 -6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.343 3.895 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.511 4.203 -9.287 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.051 4.210 -7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.992 5.795 -5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.530 5.806 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.521 4.470 -6.413 1.00 0.00 H new ATOM 1352 N SER A 83 3.244 5.902 -10.590 1.00 0.00 N ATOM 1353 CA SER A 83 3.464 5.839 -12.064 1.00 0.00 C ATOM 1354 C SER A 83 2.200 5.332 -12.763 1.00 0.00 C ATOM 1355 O SER A 83 1.133 5.290 -12.185 1.00 0.00 O ATOM 1356 CB SER A 83 4.613 4.851 -12.251 1.00 0.00 C ATOM 1357 OG SER A 83 4.086 3.538 -12.383 1.00 0.00 O ATOM 0 H SER A 83 3.821 5.269 -10.037 1.00 0.00 H new ATOM 0 HA SER A 83 3.694 6.815 -12.491 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.193 5.113 -13.136 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.292 4.899 -11.399 1.00 0.00 H new ATOM 0 HG SER A 83 4.821 2.901 -12.505 1.00 0.00 H new ATOM 1363 N GLU A 84 2.312 4.946 -14.006 1.00 0.00 N ATOM 1364 CA GLU A 84 1.117 4.441 -14.740 1.00 0.00 C ATOM 1365 C GLU A 84 0.880 2.965 -14.412 1.00 0.00 C ATOM 1366 O GLU A 84 -0.212 2.454 -14.560 1.00 0.00 O ATOM 1367 CB GLU A 84 1.458 4.616 -16.220 1.00 0.00 C ATOM 1368 CG GLU A 84 0.330 5.378 -16.919 1.00 0.00 C ATOM 1369 CD GLU A 84 0.815 5.870 -18.284 1.00 0.00 C ATOM 1370 OE1 GLU A 84 1.658 5.207 -18.866 1.00 0.00 O ATOM 1371 OE2 GLU A 84 0.336 6.903 -18.724 1.00 0.00 O ATOM 0 H GLU A 84 3.179 4.959 -14.544 1.00 0.00 H new ATOM 0 HA GLU A 84 0.207 4.976 -14.467 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.397 5.159 -16.326 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.598 3.642 -16.689 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.539 4.731 -17.042 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.014 6.223 -16.307 1.00 0.00 H new ATOM 1378 N ASP A 85 1.896 2.276 -13.970 1.00 0.00 N ATOM 1379 CA ASP A 85 1.728 0.833 -13.634 1.00 0.00 C ATOM 1380 C ASP A 85 1.104 0.679 -12.244 1.00 0.00 C ATOM 1381 O ASP A 85 0.691 -0.394 -11.854 1.00 0.00 O ATOM 1382 CB ASP A 85 3.144 0.255 -13.652 1.00 0.00 C ATOM 1383 CG ASP A 85 3.084 -1.232 -14.011 1.00 0.00 C ATOM 1384 OD1 ASP A 85 2.400 -1.963 -13.311 1.00 0.00 O ATOM 1385 OD2 ASP A 85 3.721 -1.615 -14.978 1.00 0.00 O ATOM 0 H ASP A 85 2.835 2.649 -13.827 1.00 0.00 H new ATOM 0 HA ASP A 85 1.068 0.322 -14.335 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.758 0.790 -14.376 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.614 0.386 -12.677 1.00 0.00 H new ATOM 1390 N LYS A 86 1.032 1.746 -11.493 1.00 0.00 N ATOM 1391 CA LYS A 86 0.434 1.659 -10.129 1.00 0.00 C ATOM 1392 C LYS A 86 1.290 0.757 -9.233 1.00 0.00 C ATOM 1393 O LYS A 86 0.862 0.320 -8.183 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.964 1.063 -10.349 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.044 -0.341 -9.745 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.291 -1.053 -10.271 1.00 0.00 C ATOM 1397 CE LYS A 86 -1.894 -2.404 -10.871 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.090 -2.245 -12.339 1.00 0.00 N ATOM 0 H LYS A 86 1.361 2.672 -11.765 1.00 0.00 H new ATOM 0 HA LYS A 86 0.382 2.627 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.717 1.706 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.185 1.021 -11.416 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.151 -0.911 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.079 -0.279 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.007 -1.199 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.782 -0.439 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.859 -2.652 -10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.513 -3.209 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.838 -3.132 -12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.086 -2.016 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.483 -1.476 -12.689 1.00 0.00 H new ATOM 1412 N THR A 87 2.498 0.477 -9.640 1.00 0.00 N ATOM 1413 CA THR A 87 3.381 -0.395 -8.815 1.00 0.00 C ATOM 1414 C THR A 87 4.614 0.386 -8.350 1.00 0.00 C ATOM 1415 O THR A 87 5.718 -0.122 -8.346 1.00 0.00 O ATOM 1416 CB THR A 87 3.792 -1.538 -9.746 1.00 0.00 C ATOM 1417 OG1 THR A 87 3.897 -1.047 -11.075 1.00 0.00 O ATOM 1418 CG2 THR A 87 2.739 -2.647 -9.690 1.00 0.00 C ATOM 0 H THR A 87 2.912 0.815 -10.509 1.00 0.00 H new ATOM 0 HA THR A 87 2.879 -0.759 -7.919 1.00 0.00 H new ATOM 0 HB THR A 87 4.755 -1.939 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.308 -1.565 -11.663 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.032 -3.461 -10.353 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.659 -3.021 -8.669 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.775 -2.250 -10.007 1.00 0.00 H new ATOM 1426 N LYS A 88 4.436 1.619 -7.958 1.00 0.00 N ATOM 1427 CA LYS A 88 5.601 2.428 -7.497 1.00 0.00 C ATOM 1428 C LYS A 88 5.124 3.627 -6.670 1.00 0.00 C ATOM 1429 O LYS A 88 4.013 4.095 -6.818 1.00 0.00 O ATOM 1430 CB LYS A 88 6.286 2.899 -8.780 1.00 0.00 C ATOM 1431 CG LYS A 88 7.534 3.711 -8.430 1.00 0.00 C ATOM 1432 CD LYS A 88 8.777 2.841 -8.619 1.00 0.00 C ATOM 1433 CE LYS A 88 9.208 2.877 -10.087 1.00 0.00 C ATOM 1434 NZ LYS A 88 10.697 2.875 -10.050 1.00 0.00 N ATOM 0 H LYS A 88 3.537 2.100 -7.937 1.00 0.00 H new ATOM 0 HA LYS A 88 6.275 1.855 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.559 2.041 -9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.599 3.506 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.596 4.595 -9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.476 4.062 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.586 3.201 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.565 1.815 -8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.825 2.014 -10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.827 3.766 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.066 3.326 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.024 3.402 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.042 1.895 -9.997 1.00 0.00 H new ATOM 1448 N ILE A 89 5.961 4.130 -5.805 1.00 0.00 N ATOM 1449 CA ILE A 89 5.568 5.302 -4.971 1.00 0.00 C ATOM 1450 C ILE A 89 6.708 6.326 -4.945 1.00 0.00 C ATOM 1451 O ILE A 89 7.870 5.974 -4.984 1.00 0.00 O ATOM 1452 CB ILE A 89 5.319 4.733 -3.575 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.480 3.816 -3.182 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.017 3.931 -3.575 1.00 0.00 C ATOM 1455 CD1 ILE A 89 7.052 4.264 -1.837 1.00 0.00 C ATOM 0 H ILE A 89 6.904 3.779 -5.639 1.00 0.00 H new ATOM 0 HA ILE A 89 4.687 5.814 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 89 5.243 5.551 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.136 2.784 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.256 3.846 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.840 3.525 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.189 4.582 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.093 3.113 -4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.879 3.611 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 89 7.411 5.290 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.274 4.211 -1.075 1.00 0.00 H new ATOM 1467 N ARG A 90 6.386 7.588 -4.891 1.00 0.00 N ATOM 1468 CA ARG A 90 7.454 8.630 -4.874 1.00 0.00 C ATOM 1469 C ARG A 90 7.026 9.827 -4.021 1.00 0.00 C ATOM 1470 O ARG A 90 5.854 10.054 -3.796 1.00 0.00 O ATOM 1471 CB ARG A 90 7.628 9.046 -6.337 1.00 0.00 C ATOM 1472 CG ARG A 90 6.461 9.940 -6.761 1.00 0.00 C ATOM 1473 CD ARG A 90 6.686 10.425 -8.195 1.00 0.00 C ATOM 1474 NE ARG A 90 7.434 11.707 -8.056 1.00 0.00 N ATOM 1475 CZ ARG A 90 6.834 12.852 -8.255 1.00 0.00 C ATOM 1476 NH1 ARG A 90 5.569 12.890 -8.579 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.505 13.965 -8.131 1.00 0.00 N ATOM 0 H ARG A 90 5.431 7.944 -4.858 1.00 0.00 H new ATOM 0 HA ARG A 90 8.382 8.256 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.571 9.578 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.672 8.162 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.523 9.388 -6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.378 10.792 -6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.255 9.697 -8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.739 10.575 -8.714 1.00 0.00 H new ATOM 0 HE ARG A 90 8.422 11.691 -7.804 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.042 12.023 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.109 13.787 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.493 13.939 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.041 14.860 -8.285 1.00 0.00 H new ATOM 1491 N ARG A 91 7.968 10.605 -3.562 1.00 0.00 N ATOM 1492 CA ARG A 91 7.617 11.802 -2.744 1.00 0.00 C ATOM 1493 C ARG A 91 7.693 13.050 -3.626 1.00 0.00 C ATOM 1494 O ARG A 91 8.616 13.215 -4.396 1.00 0.00 O ATOM 1495 CB ARG A 91 8.673 11.855 -1.635 1.00 0.00 C ATOM 1496 CG ARG A 91 8.765 13.281 -1.082 1.00 0.00 C ATOM 1497 CD ARG A 91 8.678 13.248 0.446 1.00 0.00 C ATOM 1498 NE ARG A 91 7.526 14.128 0.785 1.00 0.00 N ATOM 1499 CZ ARG A 91 6.303 13.701 0.619 1.00 0.00 C ATOM 1500 NH1 ARG A 91 6.088 12.501 0.154 1.00 0.00 N ATOM 1501 NH2 ARG A 91 5.296 14.474 0.920 1.00 0.00 N ATOM 0 H ARG A 91 8.966 10.464 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 91 6.610 11.753 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.412 11.160 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.641 11.542 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.703 13.742 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.959 13.892 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.520 12.233 0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.599 13.611 0.902 1.00 0.00 H new ATOM 0 HE ARG A 91 7.692 15.067 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.875 11.896 -0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.133 12.168 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.464 15.412 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.341 14.141 0.790 1.00 0.00 H new ATOM 1515 N SER A 92 6.732 13.925 -3.529 1.00 0.00 N ATOM 1516 CA SER A 92 6.761 15.150 -4.375 1.00 0.00 C ATOM 1517 C SER A 92 7.903 16.070 -3.939 1.00 0.00 C ATOM 1518 O SER A 92 7.836 16.691 -2.897 1.00 0.00 O ATOM 1519 CB SER A 92 5.410 15.824 -4.139 1.00 0.00 C ATOM 1520 OG SER A 92 4.392 15.076 -4.792 1.00 0.00 O ATOM 0 H SER A 92 5.931 13.846 -2.903 1.00 0.00 H new ATOM 0 HA SER A 92 6.925 14.920 -5.428 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.203 15.886 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.428 16.845 -4.520 1.00 0.00 H new ATOM 0 HG SER A 92 3.550 15.171 -4.300 1.00 0.00 H new ATOM 1526 N PRO A 93 8.915 16.133 -4.762 1.00 0.00 N ATOM 1527 CA PRO A 93 10.080 16.998 -4.462 1.00 0.00 C ATOM 1528 C PRO A 93 9.639 18.458 -4.497 1.00 0.00 C ATOM 1529 O PRO A 93 10.257 19.327 -3.914 1.00 0.00 O ATOM 1530 CB PRO A 93 11.062 16.700 -5.595 1.00 0.00 C ATOM 1531 CG PRO A 93 10.225 16.119 -6.691 1.00 0.00 C ATOM 1532 CD PRO A 93 9.066 15.421 -6.034 1.00 0.00 C ATOM 0 HA PRO A 93 10.519 16.817 -3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.571 17.606 -5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.834 16.000 -5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.873 16.901 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.807 15.420 -7.291 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.162 15.486 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.271 14.362 -5.879 1.00 0.00 H new ATOM 1540 N SER A 94 8.561 18.725 -5.181 1.00 0.00 N ATOM 1541 CA SER A 94 8.049 20.118 -5.268 1.00 0.00 C ATOM 1542 C SER A 94 7.065 20.383 -4.129 1.00 0.00 C ATOM 1543 O SER A 94 6.475 21.441 -4.041 1.00 0.00 O ATOM 1544 CB SER A 94 7.331 20.183 -6.611 1.00 0.00 C ATOM 1545 OG SER A 94 8.237 19.828 -7.647 1.00 0.00 O ATOM 0 H SER A 94 8.010 18.031 -5.687 1.00 0.00 H new ATOM 0 HA SER A 94 8.843 20.861 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.476 19.506 -6.612 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.943 21.187 -6.780 1.00 0.00 H new ATOM 0 HG SER A 94 7.777 19.867 -8.511 1.00 0.00 H new ATOM 1551 N LYS A 95 6.902 19.441 -3.239 1.00 0.00 N ATOM 1552 CA LYS A 95 5.978 19.652 -2.089 1.00 0.00 C ATOM 1553 C LYS A 95 6.772 19.558 -0.783 1.00 0.00 C ATOM 1554 O LYS A 95 7.530 18.628 -0.590 1.00 0.00 O ATOM 1555 CB LYS A 95 4.956 18.518 -2.183 1.00 0.00 C ATOM 1556 CG LYS A 95 3.580 19.096 -2.519 1.00 0.00 C ATOM 1557 CD LYS A 95 3.003 18.365 -3.733 1.00 0.00 C ATOM 1558 CE LYS A 95 1.474 18.375 -3.656 1.00 0.00 C ATOM 1559 NZ LYS A 95 1.060 17.001 -4.051 1.00 0.00 N ATOM 0 H LYS A 95 7.369 18.535 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 95 5.492 20.628 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.259 17.804 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.913 17.974 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.911 18.990 -1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.663 20.162 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.335 18.847 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.370 17.339 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.131 18.617 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.050 19.123 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.023 16.929 -4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.394 16.801 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.473 16.311 -3.392 1.00 0.00 H new ATOM 1573 N PRO A 96 6.582 20.523 0.073 1.00 0.00 N ATOM 1574 CA PRO A 96 7.305 20.535 1.365 1.00 0.00 C ATOM 1575 C PRO A 96 6.834 19.395 2.264 1.00 0.00 C ATOM 1576 O PRO A 96 5.685 19.003 2.249 1.00 0.00 O ATOM 1577 CB PRO A 96 6.952 21.874 1.988 1.00 0.00 C ATOM 1578 CG PRO A 96 5.705 22.325 1.287 1.00 0.00 C ATOM 1579 CD PRO A 96 5.691 21.677 -0.075 1.00 0.00 C ATOM 0 HA PRO A 96 8.379 20.403 1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.786 21.776 3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.759 22.594 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.820 22.040 1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.688 23.411 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.685 21.370 -0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.047 22.360 -0.846 1.00 0.00 H new ATOM 1587 N LEU A 97 7.718 18.884 3.070 1.00 0.00 N ATOM 1588 CA LEU A 97 7.345 17.797 4.006 1.00 0.00 C ATOM 1589 C LEU A 97 7.676 18.241 5.421 1.00 0.00 C ATOM 1590 O LEU A 97 8.812 18.525 5.744 1.00 0.00 O ATOM 1591 CB LEU A 97 8.143 16.557 3.591 1.00 0.00 C ATOM 1592 CG LEU A 97 9.418 16.425 4.431 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.058 15.928 5.833 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.362 15.420 3.765 1.00 0.00 C ATOM 0 H LEU A 97 8.694 19.178 3.119 1.00 0.00 H new ATOM 0 HA LEU A 97 6.280 17.565 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.528 15.665 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.403 16.623 2.535 1.00 0.00 H new ATOM 0 HG LEU A 97 9.907 17.396 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.965 15.834 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.382 16.639 6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.570 14.956 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.270 15.324 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.870 14.450 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.619 15.770 2.765 1.00 0.00 H new