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= -2.87! C(o=-2.9!,f=-3.9!) USER MOD Single : A 17 GLN : amide:sc= -0.591 K(o=-0.59,f=-3!) 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=-0.54) USER MOD Single : A 48 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.4!) 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 180:sc= 0 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= -1.05 K(o=-1.1,f=-2.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.9!) USER MOD Single : A 81 SER OG : rot 82:sc= 0.0105 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -60:sc= -1.78! USER MOD Single : A 95 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.614 19.435 10.316 1.00 0.00 N ATOM 145 CA LEU A 13 -4.005 18.752 9.187 1.00 0.00 C ATOM 146 C LEU A 13 -5.056 17.880 8.496 1.00 0.00 C ATOM 147 O LEU A 13 -5.933 17.322 9.153 1.00 0.00 O ATOM 148 CB LEU A 13 -2.762 17.980 9.634 1.00 0.00 C ATOM 149 CG LEU A 13 -1.576 18.828 10.097 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.724 18.069 11.117 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.748 19.310 8.904 1.00 0.00 C ATOM 0 HA LEU A 13 -3.655 19.474 8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.046 17.313 10.448 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.432 17.351 8.807 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.965 19.714 10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.112 18.694 11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.334 17.818 11.985 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.343 17.154 10.664 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.089 19.911 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.368 18.449 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.374 19.914 8.247 1.00 0.00 H new ATOM 163 N PRO A 14 -4.928 17.788 7.146 1.00 0.00 N ATOM 164 CA PRO A 14 -5.856 16.993 6.359 1.00 0.00 C ATOM 165 C PRO A 14 -5.573 15.498 6.523 1.00 0.00 C ATOM 166 O PRO A 14 -4.513 15.113 7.014 1.00 0.00 O ATOM 167 CB PRO A 14 -5.676 17.478 4.930 1.00 0.00 C ATOM 168 CG PRO A 14 -4.335 18.192 4.898 1.00 0.00 C ATOM 169 CD PRO A 14 -3.901 18.435 6.334 1.00 0.00 C ATOM 0 HA PRO A 14 -6.891 17.115 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.691 16.643 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.484 18.151 4.641 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.594 17.589 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.418 19.136 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.916 18.009 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.836 19.501 6.553 1.00 0.00 H new ATOM 177 N ASN A 15 -6.540 14.696 6.102 1.00 0.00 N ATOM 178 CA ASN A 15 -6.408 13.252 6.196 1.00 0.00 C ATOM 179 C ASN A 15 -7.370 12.591 5.206 1.00 0.00 C ATOM 180 O ASN A 15 -8.485 13.070 5.005 1.00 0.00 O ATOM 181 CB ASN A 15 -6.761 12.757 7.600 1.00 0.00 C ATOM 182 CG ASN A 15 -6.438 13.819 8.653 1.00 0.00 C ATOM 183 OD1 ASN A 15 -5.300 14.017 9.043 1.00 0.00 O ATOM 184 ND2 ASN A 15 -7.502 14.488 9.090 1.00 0.00 N ATOM 0 H ASN A 15 -7.418 15.019 5.695 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.373 12.992 5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.821 12.506 7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.207 11.844 7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.392 15.217 9.794 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.428 14.271 8.721 1.00 0.00 H new ATOM 191 N ARG A 16 -6.903 11.501 4.615 1.00 0.00 N ATOM 192 CA ARG A 16 -7.708 10.770 3.651 1.00 0.00 C ATOM 193 C ARG A 16 -7.382 9.276 3.713 1.00 0.00 C ATOM 194 O ARG A 16 -6.232 8.880 3.530 1.00 0.00 O ATOM 195 CB ARG A 16 -7.463 11.280 2.229 1.00 0.00 C ATOM 196 CG ARG A 16 -8.741 11.204 1.392 1.00 0.00 C ATOM 197 CD ARG A 16 -9.053 9.759 0.997 1.00 0.00 C ATOM 198 NE ARG A 16 -9.381 9.688 -0.445 1.00 0.00 N ATOM 199 CZ ARG A 16 -10.483 10.220 -0.991 1.00 0.00 C ATOM 200 NH1 ARG A 16 -11.369 10.865 -0.220 1.00 0.00 N ATOM 201 NH2 ARG A 16 -10.699 10.107 -2.309 1.00 0.00 N ATOM 0 H ARG A 16 -5.978 11.107 4.785 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.756 10.928 3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.108 12.310 2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.679 10.688 1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.576 11.618 1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.630 11.814 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.197 9.121 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.889 9.384 1.587 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.728 9.204 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.205 10.951 0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.208 11.270 -0.636 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.025 9.616 -2.896 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.538 10.512 -2.725 1.00 0.00 H new ATOM 215 N GLN A 17 -8.416 8.488 3.970 1.00 0.00 N ATOM 216 CA GLN A 17 -8.254 7.047 4.058 1.00 0.00 C ATOM 217 C GLN A 17 -9.110 6.351 2.998 1.00 0.00 C ATOM 218 O GLN A 17 -10.181 6.840 2.640 1.00 0.00 O ATOM 219 CB GLN A 17 -8.600 6.541 5.460 1.00 0.00 C ATOM 220 CG GLN A 17 -10.112 6.377 5.627 1.00 0.00 C ATOM 221 CD GLN A 17 -10.533 4.922 5.413 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.728 4.052 5.122 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.835 4.706 5.574 1.00 0.00 N ATOM 0 H GLN A 17 -9.369 8.820 4.120 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.208 6.806 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.105 5.586 5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.222 7.240 6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.409 6.702 6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.632 7.018 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.454 5.479 5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.215 3.767 5.454 1.00 0.00 H new ATOM 232 N LEU A 18 -8.606 5.221 2.525 1.00 0.00 N ATOM 233 CA LEU A 18 -9.311 4.453 1.513 1.00 0.00 C ATOM 234 C LEU A 18 -9.321 2.976 1.914 1.00 0.00 C ATOM 235 O LEU A 18 -8.750 2.604 2.938 1.00 0.00 O ATOM 236 CB LEU A 18 -8.710 4.710 0.130 1.00 0.00 C ATOM 237 CG LEU A 18 -8.607 6.177 -0.295 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.212 6.494 -0.837 1.00 0.00 C ATOM 239 CD2 LEU A 18 -9.706 6.536 -1.296 1.00 0.00 C ATOM 0 H LEU A 18 -7.718 4.819 2.824 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.351 4.773 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.712 4.274 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.310 4.179 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.759 6.800 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.166 7.542 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.469 6.301 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.006 5.864 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.610 7.584 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.610 5.908 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.682 6.373 -0.839 1.00 0.00 H new ATOM 251 N LYS A 19 -9.976 2.176 1.086 1.00 0.00 N ATOM 252 CA LYS A 19 -10.068 0.748 1.342 1.00 0.00 C ATOM 253 C LYS A 19 -9.844 -0.015 0.035 1.00 0.00 C ATOM 254 O LYS A 19 -10.720 -0.044 -0.829 1.00 0.00 O ATOM 255 CB LYS A 19 -11.391 0.412 2.032 1.00 0.00 C ATOM 256 CG LYS A 19 -11.203 0.277 3.544 1.00 0.00 C ATOM 257 CD LYS A 19 -12.463 -0.284 4.206 1.00 0.00 C ATOM 258 CE LYS A 19 -12.110 -1.102 5.450 1.00 0.00 C ATOM 259 NZ LYS A 19 -12.832 -0.583 6.633 1.00 0.00 N ATOM 0 H LYS A 19 -10.448 2.489 0.238 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.286 0.433 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.123 1.192 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.790 -0.518 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.357 -0.378 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.965 1.251 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.129 0.534 4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.003 -0.910 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.368 -2.149 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.035 -1.062 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.581 -1.149 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.566 0.409 6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.857 -0.644 6.468 1.00 0.00 H new ATOM 273 N VAL A 20 -8.667 -0.614 -0.069 1.00 0.00 N ATOM 274 CA VAL A 20 -8.317 -1.375 -1.256 1.00 0.00 C ATOM 275 C VAL A 20 -8.758 -2.829 -1.073 1.00 0.00 C ATOM 276 O VAL A 20 -7.985 -3.661 -0.599 1.00 0.00 O ATOM 277 CB VAL A 20 -6.821 -1.236 -1.545 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.424 -2.045 -2.782 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.428 0.234 -1.703 1.00 0.00 C ATOM 0 H VAL A 20 -7.943 -0.588 0.650 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.840 -0.984 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.276 -1.639 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.356 -1.929 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.651 -3.098 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.982 -1.685 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.360 0.305 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.986 0.673 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.658 0.773 -0.784 1.00 0.00 H new ATOM 289 N LYS A 21 -9.998 -3.091 -1.458 1.00 0.00 N ATOM 290 CA LYS A 21 -10.551 -4.430 -1.342 1.00 0.00 C ATOM 291 C LYS A 21 -9.625 -5.422 -2.048 1.00 0.00 C ATOM 292 O LYS A 21 -9.463 -5.367 -3.266 1.00 0.00 O ATOM 293 CB LYS A 21 -11.992 -4.461 -1.855 1.00 0.00 C ATOM 294 CG LYS A 21 -12.029 -4.576 -3.380 1.00 0.00 C ATOM 295 CD LYS A 21 -13.453 -4.396 -3.909 1.00 0.00 C ATOM 296 CE LYS A 21 -13.667 -2.976 -4.436 1.00 0.00 C ATOM 297 NZ LYS A 21 -15.007 -2.847 -5.050 1.00 0.00 N ATOM 0 H LYS A 21 -10.636 -2.399 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.603 -4.731 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.522 -5.303 -1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.513 -3.556 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.376 -3.823 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.645 -5.549 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.642 -5.116 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.169 -4.604 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.564 -2.260 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.899 -2.735 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.135 -1.877 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.092 -3.517 -5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.736 -3.056 -4.339 1.00 0.00 H new ATOM 311 N VAL A 22 -9.041 -6.307 -1.253 1.00 0.00 N ATOM 312 CA VAL A 22 -8.136 -7.310 -1.787 1.00 0.00 C ATOM 313 C VAL A 22 -8.879 -8.640 -1.925 1.00 0.00 C ATOM 314 O VAL A 22 -10.103 -8.687 -1.809 1.00 0.00 O ATOM 315 CB VAL A 22 -6.888 -7.410 -0.907 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.218 -6.044 -0.748 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.226 -8.017 0.456 1.00 0.00 C ATOM 0 H VAL A 22 -9.177 -6.350 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.794 -7.025 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.180 -8.074 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.334 -6.143 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.925 -5.666 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.917 -5.348 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.322 -8.077 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.961 -7.390 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.637 -9.017 0.317 1.00 0.00 H new ATOM 643 N GLN A 44 7.788 -0.251 -1.026 1.00 0.00 N ATOM 644 CA GLN A 44 7.718 0.868 -0.101 1.00 0.00 C ATOM 645 C GLN A 44 8.634 2.000 -0.567 1.00 0.00 C ATOM 646 O GLN A 44 8.364 3.171 -0.303 1.00 0.00 O ATOM 647 CB GLN A 44 8.071 0.427 1.321 1.00 0.00 C ATOM 648 CG GLN A 44 9.517 -0.068 1.398 1.00 0.00 C ATOM 649 CD GLN A 44 10.344 0.802 2.347 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.357 2.019 2.262 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.030 0.113 3.254 1.00 0.00 N ATOM 0 HA GLN A 44 6.693 1.239 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.931 1.260 2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.394 -0.366 1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.533 -1.103 1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.964 -0.054 0.404 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.975 -0.905 3.270 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.612 0.603 3.934 1.00 0.00 H new ATOM 660 N GLU A 45 9.700 1.613 -1.253 1.00 0.00 N ATOM 661 CA GLU A 45 10.658 2.581 -1.759 1.00 0.00 C ATOM 662 C GLU A 45 9.963 3.582 -2.684 1.00 0.00 C ATOM 663 O GLU A 45 10.221 4.782 -2.612 1.00 0.00 O ATOM 664 CB GLU A 45 11.816 1.884 -2.476 1.00 0.00 C ATOM 665 CG GLU A 45 13.092 1.935 -1.634 1.00 0.00 C ATOM 666 CD GLU A 45 14.181 1.042 -2.234 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.635 1.374 -3.350 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.533 0.048 -1.563 1.00 0.00 O ATOM 0 H GLU A 45 9.921 0.641 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 45 11.075 3.127 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.551 0.846 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.992 2.362 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.451 2.962 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.873 1.614 -0.616 1.00 0.00 H new ATOM 675 N ALA A 46 9.094 3.051 -3.532 1.00 0.00 N ATOM 676 CA ALA A 46 8.360 3.882 -4.470 1.00 0.00 C ATOM 677 C ALA A 46 7.623 4.981 -3.702 1.00 0.00 C ATOM 678 O ALA A 46 8.017 6.146 -3.747 1.00 0.00 O ATOM 679 CB ALA A 46 7.411 3.009 -5.293 1.00 0.00 C ATOM 0 H ALA A 46 8.882 2.055 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 46 9.042 4.368 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.860 3.633 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.986 2.264 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.709 2.507 -4.627 1.00 0.00 H new ATOM 685 N ILE A 47 6.566 4.573 -3.016 1.00 0.00 N ATOM 686 CA ILE A 47 5.770 5.508 -2.240 1.00 0.00 C ATOM 687 C ILE A 47 6.695 6.346 -1.355 1.00 0.00 C ATOM 688 O ILE A 47 6.504 7.553 -1.218 1.00 0.00 O ATOM 689 CB ILE A 47 4.680 4.768 -1.463 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.698 4.081 -2.415 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.969 5.707 -0.486 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.938 2.960 -1.703 1.00 0.00 C ATOM 0 H ILE A 47 6.242 3.606 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 47 5.245 6.200 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 47 5.155 3.986 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.991 4.813 -2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.239 3.673 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.199 5.156 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.692 6.109 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.509 6.526 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.247 2.488 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.646 2.217 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.379 3.375 -0.864 1.00 0.00 H new ATOM 704 N ASN A 48 7.678 5.672 -0.776 1.00 0.00 N ATOM 705 CA ASN A 48 8.633 6.339 0.092 1.00 0.00 C ATOM 706 C ASN A 48 9.212 7.555 -0.633 1.00 0.00 C ATOM 707 O ASN A 48 9.567 8.548 0.000 1.00 0.00 O ATOM 708 CB ASN A 48 9.792 5.408 0.454 1.00 0.00 C ATOM 709 CG ASN A 48 11.001 6.204 0.950 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.877 7.226 1.606 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.173 5.682 0.602 1.00 0.00 N ATOM 0 H ASN A 48 7.834 4.671 -0.891 1.00 0.00 H new ATOM 0 HA ASN A 48 8.111 6.636 1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.473 4.707 1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.074 4.817 -0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.039 6.140 0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.206 4.824 0.052 1.00 0.00 H new ATOM 718 N ASP A 49 9.289 7.437 -1.950 1.00 0.00 N ATOM 719 CA ASP A 49 9.819 8.515 -2.768 1.00 0.00 C ATOM 720 C ASP A 49 8.709 9.530 -3.047 1.00 0.00 C ATOM 721 O ASP A 49 8.898 10.731 -2.856 1.00 0.00 O ATOM 722 CB ASP A 49 10.327 7.988 -4.112 1.00 0.00 C ATOM 723 CG ASP A 49 11.401 8.849 -4.780 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.738 9.897 -4.187 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.861 8.439 -5.867 1.00 0.00 O ATOM 0 H ASP A 49 8.993 6.612 -2.471 1.00 0.00 H new ATOM 0 HA ASP A 49 10.645 8.975 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.727 6.985 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.481 7.897 -4.793 1.00 0.00 H new ATOM 730 N LEU A 50 7.575 9.012 -3.495 1.00 0.00 N ATOM 731 CA LEU A 50 6.435 9.858 -3.803 1.00 0.00 C ATOM 732 C LEU A 50 6.108 10.727 -2.587 1.00 0.00 C ATOM 733 O LEU A 50 5.607 11.841 -2.732 1.00 0.00 O ATOM 734 CB LEU A 50 5.256 9.013 -4.290 1.00 0.00 C ATOM 735 CG LEU A 50 5.386 8.428 -5.697 1.00 0.00 C ATOM 736 CD1 LEU A 50 6.470 7.349 -5.744 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.038 7.909 -6.202 1.00 0.00 C ATOM 0 H LEU A 50 7.421 8.016 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 50 6.673 10.534 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.109 8.192 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.356 9.627 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 50 5.697 9.226 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.542 6.949 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.428 7.783 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.214 6.545 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.159 7.498 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.674 7.130 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.320 8.728 -6.230 1.00 0.00 H new ATOM 749 N VAL A 51 6.404 10.185 -1.415 1.00 0.00 N ATOM 750 CA VAL A 51 6.148 10.897 -0.175 1.00 0.00 C ATOM 751 C VAL A 51 7.130 12.063 -0.049 1.00 0.00 C ATOM 752 O VAL A 51 6.845 13.049 0.629 1.00 0.00 O ATOM 753 CB VAL A 51 6.216 9.929 1.008 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.145 10.682 2.338 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.112 8.873 0.916 1.00 0.00 C ATOM 0 H VAL A 51 6.819 9.261 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 51 5.142 11.317 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 51 7.176 9.415 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.195 9.970 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.981 11.377 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.208 11.235 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.183 8.198 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.138 9.363 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.228 8.305 -0.007 1.00 0.00 H new ATOM 765 N LYS A 52 8.266 11.913 -0.714 1.00 0.00 N ATOM 766 CA LYS A 52 9.292 12.942 -0.685 1.00 0.00 C ATOM 767 C LYS A 52 9.070 13.910 -1.849 1.00 0.00 C ATOM 768 O LYS A 52 9.281 15.113 -1.709 1.00 0.00 O ATOM 769 CB LYS A 52 10.685 12.309 -0.668 1.00 0.00 C ATOM 770 CG LYS A 52 11.092 11.916 0.754 1.00 0.00 C ATOM 771 CD LYS A 52 12.392 12.611 1.164 1.00 0.00 C ATOM 772 CE LYS A 52 13.607 11.896 0.567 1.00 0.00 C ATOM 773 NZ LYS A 52 14.861 12.509 1.057 1.00 0.00 N ATOM 0 H LYS A 52 8.499 11.094 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 52 9.221 13.525 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.696 11.428 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.412 13.010 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.297 12.183 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.219 10.835 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.375 13.648 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.473 12.628 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.583 10.840 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.570 11.950 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.675 12.012 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.889 13.511 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.902 12.435 2.094 1.00 0.00 H new ATOM 787 N LYS A 53 8.648 13.347 -2.972 1.00 0.00 N ATOM 788 CA LYS A 53 8.395 14.146 -4.159 1.00 0.00 C ATOM 789 C LYS A 53 7.271 15.142 -3.869 1.00 0.00 C ATOM 790 O LYS A 53 7.160 16.170 -4.536 1.00 0.00 O ATOM 791 CB LYS A 53 8.121 13.243 -5.364 1.00 0.00 C ATOM 792 CG LYS A 53 9.421 12.647 -5.909 1.00 0.00 C ATOM 793 CD LYS A 53 9.392 12.576 -7.437 1.00 0.00 C ATOM 794 CE LYS A 53 8.174 11.791 -7.927 1.00 0.00 C ATOM 795 NZ LYS A 53 8.173 11.704 -9.404 1.00 0.00 N ATOM 0 H LYS A 53 8.475 12.348 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 53 9.278 14.729 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.442 12.441 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.623 13.816 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.267 13.253 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.568 11.648 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.370 13.584 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.304 12.102 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.183 10.789 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.260 12.276 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.340 11.168 -9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.142 12.662 -9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.037 11.221 -9.724 1.00 0.00 H new ATOM 809 N TYR A 54 6.465 14.803 -2.874 1.00 0.00 N ATOM 810 CA TYR A 54 5.354 15.655 -2.487 1.00 0.00 C ATOM 811 C TYR A 54 5.754 16.595 -1.349 1.00 0.00 C ATOM 812 O TYR A 54 6.893 16.566 -0.886 1.00 0.00 O ATOM 813 CB TYR A 54 4.253 14.713 -1.992 1.00 0.00 C ATOM 814 CG TYR A 54 3.414 14.094 -3.112 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.027 13.638 -4.262 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.045 13.992 -2.973 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.237 13.055 -5.316 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.256 13.409 -4.026 1.00 0.00 C ATOM 819 CZ TYR A 54 1.891 12.970 -5.146 1.00 0.00 C ATOM 820 OH TYR A 54 1.145 12.419 -6.141 1.00 0.00 O ATOM 0 H TYR A 54 6.559 13.949 -2.324 1.00 0.00 H new ATOM 0 HA TYR A 54 5.032 16.271 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.709 13.913 -1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.594 15.262 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.098 13.718 -4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.565 14.350 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.703 12.694 -6.221 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.184 13.322 -3.929 1.00 0.00 H new ATOM 0 HH TYR A 54 0.200 12.423 -5.882 1.00 0.00 H new ATOM 830 N THR A 55 4.794 17.407 -0.930 1.00 0.00 N ATOM 831 CA THR A 55 5.032 18.354 0.146 1.00 0.00 C ATOM 832 C THR A 55 4.542 17.783 1.478 1.00 0.00 C ATOM 833 O THR A 55 3.340 17.624 1.685 1.00 0.00 O ATOM 834 CB THR A 55 4.361 19.676 -0.232 1.00 0.00 C ATOM 835 OG1 THR A 55 5.241 20.251 -1.194 1.00 0.00 O ATOM 836 CG2 THR A 55 4.360 20.683 0.921 1.00 0.00 C ATOM 0 H THR A 55 3.850 17.428 -1.316 1.00 0.00 H new ATOM 0 HA THR A 55 6.098 18.540 0.281 1.00 0.00 H new ATOM 0 HB THR A 55 3.336 19.484 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.880 21.111 -1.494 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.872 21.603 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.820 20.264 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.387 20.900 1.215 1.00 0.00 H new ATOM 844 N LEU A 56 5.498 17.490 2.347 1.00 0.00 N ATOM 845 CA LEU A 56 5.179 16.940 3.654 1.00 0.00 C ATOM 846 C LEU A 56 4.058 15.909 3.508 1.00 0.00 C ATOM 847 O LEU A 56 3.009 16.034 4.138 1.00 0.00 O ATOM 848 CB LEU A 56 4.858 18.061 4.644 1.00 0.00 C ATOM 849 CG LEU A 56 6.021 18.986 5.009 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.342 18.216 5.050 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.086 20.186 4.062 1.00 0.00 C ATOM 0 H LEU A 56 6.494 17.623 2.172 1.00 0.00 H new ATOM 0 HA LEU A 56 6.042 16.418 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.054 18.668 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.476 17.611 5.560 1.00 0.00 H new ATOM 0 HG LEU A 56 5.845 19.376 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.152 18.897 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.278 17.424 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.538 17.778 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.921 20.827 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.227 19.835 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.157 20.752 4.127 1.00 0.00 H new ATOM 863 N ALA A 57 4.319 14.913 2.674 1.00 0.00 N ATOM 864 CA ALA A 57 3.345 13.860 2.438 1.00 0.00 C ATOM 865 C ALA A 57 3.642 12.680 3.364 1.00 0.00 C ATOM 866 O ALA A 57 4.718 12.604 3.954 1.00 0.00 O ATOM 867 CB ALA A 57 3.371 13.463 0.960 1.00 0.00 C ATOM 0 H ALA A 57 5.190 14.813 2.153 1.00 0.00 H new ATOM 0 HA ALA A 57 2.338 14.211 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.641 12.673 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.125 14.329 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.366 13.103 0.697 1.00 0.00 H new ATOM 873 N ARG A 58 2.668 11.787 3.463 1.00 0.00 N ATOM 874 CA ARG A 58 2.811 10.613 4.308 1.00 0.00 C ATOM 875 C ARG A 58 1.694 9.609 4.016 1.00 0.00 C ATOM 876 O ARG A 58 0.518 9.971 4.000 1.00 0.00 O ATOM 877 CB ARG A 58 2.772 10.993 5.789 1.00 0.00 C ATOM 878 CG ARG A 58 4.160 10.877 6.422 1.00 0.00 C ATOM 879 CD ARG A 58 4.076 10.966 7.947 1.00 0.00 C ATOM 880 NE ARG A 58 5.294 11.613 8.484 1.00 0.00 N ATOM 881 CZ ARG A 58 5.601 11.673 9.787 1.00 0.00 C ATOM 882 NH1 ARG A 58 4.780 11.126 10.695 1.00 0.00 N ATOM 883 NH2 ARG A 58 6.728 12.280 10.183 1.00 0.00 N ATOM 0 H ARG A 58 1.776 11.853 2.972 1.00 0.00 H new ATOM 0 HA ARG A 58 3.777 10.160 4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.403 12.013 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.073 10.344 6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.617 9.930 6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.804 11.670 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.193 11.535 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.967 9.968 8.372 1.00 0.00 H new ATOM 0 HE ARG A 58 5.940 12.040 7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.922 10.664 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.014 11.172 11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.353 12.697 9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.961 12.325 11.175 1.00 0.00 H new ATOM 897 N ALA A 59 2.101 8.369 3.792 1.00 0.00 N ATOM 898 CA ALA A 59 1.149 7.310 3.501 1.00 0.00 C ATOM 899 C ALA A 59 1.628 6.008 4.145 1.00 0.00 C ATOM 900 O ALA A 59 2.819 5.842 4.406 1.00 0.00 O ATOM 901 CB ALA A 59 0.974 7.182 1.986 1.00 0.00 C ATOM 0 H ALA A 59 3.077 8.073 3.806 1.00 0.00 H new ATOM 0 HA ALA A 59 0.172 7.546 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.260 6.388 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.604 8.124 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.934 6.943 1.528 1.00 0.00 H new ATOM 907 N PHE A 60 0.677 5.117 4.383 1.00 0.00 N ATOM 908 CA PHE A 60 0.987 3.834 4.991 1.00 0.00 C ATOM 909 C PHE A 60 -0.117 2.813 4.711 1.00 0.00 C ATOM 910 O PHE A 60 -1.186 3.168 4.217 1.00 0.00 O ATOM 911 CB PHE A 60 1.079 4.066 6.501 1.00 0.00 C ATOM 912 CG PHE A 60 2.071 5.160 6.903 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.406 4.900 6.907 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.617 6.392 7.258 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.326 5.914 7.280 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.538 7.407 7.631 1.00 0.00 C ATOM 917 CZ PHE A 60 3.872 7.147 7.635 1.00 0.00 C ATOM 0 H PHE A 60 -0.310 5.258 4.166 1.00 0.00 H new ATOM 0 HA PHE A 60 1.918 3.443 4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.091 4.329 6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.367 3.133 6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.766 3.921 6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.557 6.598 7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.386 5.707 7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.178 8.386 7.912 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.572 7.919 7.920 1.00 0.00 H new ATOM 927 N VAL A 61 0.181 1.564 5.037 1.00 0.00 N ATOM 928 CA VAL A 61 -0.773 0.488 4.826 1.00 0.00 C ATOM 929 C VAL A 61 -0.446 -0.670 5.771 1.00 0.00 C ATOM 930 O VAL A 61 0.707 -1.086 5.874 1.00 0.00 O ATOM 931 CB VAL A 61 -0.779 0.075 3.353 1.00 0.00 C ATOM 932 CG1 VAL A 61 -1.670 1.004 2.527 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.643 0.035 2.790 1.00 0.00 C ATOM 0 H VAL A 61 1.069 1.273 5.446 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.784 0.822 5.059 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.194 -0.931 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.657 0.688 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.691 0.961 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.298 2.026 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.611 -0.261 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.096 1.023 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.237 -0.685 3.353 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.903 -3.732 3.107 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.701 -3.094 3.617 1.00 0.00 C ATOM 1061 C VAL A 70 -7.021 -1.647 3.999 1.00 0.00 C ATOM 1062 O VAL A 70 -7.653 -0.923 3.231 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.573 -3.205 2.589 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.526 -2.110 2.802 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -4.930 -4.593 2.629 1.00 0.00 C ATOM 0 HA VAL A 70 -6.353 -3.600 4.518 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.007 -3.065 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.736 -2.212 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.996 -1.132 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.099 -2.204 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.131 -4.646 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.517 -4.774 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.682 -5.349 2.405 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.569 -1.269 5.186 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.799 0.079 5.679 1.00 0.00 C ATOM 1077 C ARG A 71 -5.759 1.040 5.100 1.00 0.00 C ATOM 1078 O ARG A 71 -4.609 1.052 5.534 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.731 0.125 7.207 1.00 0.00 C ATOM 1080 CG ARG A 71 -8.001 -0.459 7.830 1.00 0.00 C ATOM 1081 CD ARG A 71 -7.952 -0.371 9.357 1.00 0.00 C ATOM 1082 NE ARG A 71 -8.976 -1.262 9.947 1.00 0.00 N ATOM 1083 CZ ARG A 71 -9.467 -1.125 11.187 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -9.030 -0.132 11.974 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -10.393 -1.980 11.639 1.00 0.00 N ATOM 0 H ARG A 71 -6.045 -1.872 5.820 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.796 0.383 5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.862 -0.434 7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.600 1.155 7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.873 0.079 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.115 -1.499 7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.962 -0.654 9.714 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.124 0.657 9.676 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.330 -2.028 9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.324 0.519 11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.403 -0.027 12.917 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.725 -2.736 11.040 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.766 -1.876 12.582 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.202 1.825 4.128 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.325 2.788 3.485 1.00 0.00 C ATOM 1101 C VAL A 72 -5.516 4.159 4.135 1.00 0.00 C ATOM 1102 O VAL A 72 -6.643 4.636 4.267 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.578 2.801 1.976 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -5.167 4.141 1.363 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.858 1.639 1.289 1.00 0.00 C ATOM 0 H VAL A 72 -7.157 1.813 3.771 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.281 2.505 3.623 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.648 2.673 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.357 4.124 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.745 4.943 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.105 4.312 1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.055 1.672 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.785 1.721 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.221 0.695 1.696 1.00 0.00 H new ATOM 1115 N TYR A 73 -4.399 4.755 4.525 1.00 0.00 N ATOM 1116 CA TYR A 73 -4.430 6.063 5.158 1.00 0.00 C ATOM 1117 C TYR A 73 -3.224 6.904 4.737 1.00 0.00 C ATOM 1118 O TYR A 73 -2.091 6.425 4.756 1.00 0.00 O ATOM 1119 CB TYR A 73 -4.356 5.804 6.664 1.00 0.00 C ATOM 1120 CG TYR A 73 -5.036 6.878 7.515 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -6.379 6.770 7.817 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -4.308 7.954 7.980 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -7.020 7.781 8.618 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -4.949 8.965 8.780 1.00 0.00 C ATOM 1125 CZ TYR A 73 -6.273 8.828 9.060 1.00 0.00 C ATOM 1126 OH TYR A 73 -6.879 9.783 9.816 1.00 0.00 O ATOM 0 H TYR A 73 -3.467 4.356 4.415 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.330 6.607 4.871 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.816 4.840 6.879 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.309 5.731 6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.949 5.928 7.453 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.257 8.038 7.744 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.070 7.709 8.862 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.391 9.813 9.149 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.224 10.470 10.062 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.508 8.145 4.367 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.460 9.057 3.942 1.00 0.00 C ATOM 1138 C ALA A 74 -2.712 10.436 4.556 1.00 0.00 C ATOM 1139 O ALA A 74 -3.811 10.717 5.032 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.409 9.100 2.414 1.00 0.00 C ATOM 0 H ALA A 74 -4.449 8.540 4.353 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.486 8.713 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.623 9.784 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.200 8.102 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.368 9.444 2.027 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.675 11.260 4.525 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.769 12.603 5.073 1.00 0.00 C ATOM 1148 C GLU A 75 -0.697 13.504 4.456 1.00 0.00 C ATOM 1149 O GLU A 75 0.377 13.033 4.085 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.658 12.583 6.598 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.239 12.215 7.039 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.266 11.293 8.259 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -1.119 10.379 8.261 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.567 11.522 9.163 1.00 0.00 O ATOM 0 H GLU A 75 -0.765 11.024 4.129 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.748 13.010 4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.925 13.561 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.368 11.865 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.285 11.724 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.319 13.121 7.276 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.026 14.785 4.366 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.105 15.756 3.801 1.00 0.00 C ATOM 1163 C ALA A 76 -0.308 17.106 4.491 1.00 0.00 C ATOM 1164 O ALA A 76 -1.244 17.274 5.272 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.313 15.837 2.288 1.00 0.00 C ATOM 0 H ALA A 76 -1.918 15.172 4.675 1.00 0.00 H new ATOM 0 HA ALA A 76 0.927 15.451 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.378 16.566 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.128 14.860 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.338 16.144 2.077 1.00 0.00 H new ATOM 1171 N ASN A 77 0.582 18.035 4.176 1.00 0.00 N ATOM 1172 CA ASN A 77 0.512 19.366 4.756 1.00 0.00 C ATOM 1173 C ASN A 77 -0.651 20.132 4.123 1.00 0.00 C ATOM 1174 O ASN A 77 -1.069 21.169 4.637 1.00 0.00 O ATOM 1175 CB ASN A 77 1.797 20.152 4.488 1.00 0.00 C ATOM 1176 CG ASN A 77 1.610 21.636 4.811 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.939 22.012 5.757 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.239 22.455 3.973 1.00 0.00 N ATOM 0 H ASN A 77 1.356 17.893 3.527 1.00 0.00 H new ATOM 0 HA ASN A 77 0.373 19.258 5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.609 19.745 5.090 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.086 20.037 3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.176 23.465 4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.785 22.073 3.200 1.00 0.00 H new ATOM 1185 N SER A 78 -1.141 19.593 3.017 1.00 0.00 N ATOM 1186 CA SER A 78 -2.248 20.213 2.309 1.00 0.00 C ATOM 1187 C SER A 78 -3.355 19.186 2.065 1.00 0.00 C ATOM 1188 O SER A 78 -3.077 18.008 1.845 1.00 0.00 O ATOM 1189 CB SER A 78 -1.784 20.817 0.982 1.00 0.00 C ATOM 1190 OG SER A 78 -0.421 21.232 1.032 1.00 0.00 O ATOM 0 H SER A 78 -0.792 18.733 2.593 1.00 0.00 H new ATOM 0 HA SER A 78 -2.640 21.020 2.928 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.911 20.083 0.186 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.414 21.671 0.732 1.00 0.00 H new ATOM 0 HG SER A 78 -0.162 21.610 0.166 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.588 19.669 2.114 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.738 18.807 1.902 1.00 0.00 C ATOM 1198 C GLN A 79 -5.825 18.390 0.433 1.00 0.00 C ATOM 1199 O GLN A 79 -6.657 17.560 0.067 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.029 19.493 2.354 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.420 20.616 1.391 1.00 0.00 C ATOM 1202 CD GLN A 79 -8.111 21.760 2.134 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -8.414 21.677 3.313 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -8.344 22.832 1.381 1.00 0.00 N ATOM 0 H GLN A 79 -4.815 20.646 2.297 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.611 17.910 2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.834 18.760 2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.897 19.899 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.531 20.991 0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.084 20.224 0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.065 22.837 0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.802 23.649 1.785 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.956 18.984 -0.371 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.924 18.685 -1.792 1.00 0.00 C ATOM 1215 C GLU A 80 -4.101 17.421 -2.050 1.00 0.00 C ATOM 1216 O GLU A 80 -4.493 16.574 -2.852 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.373 19.869 -2.590 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.481 20.549 -3.396 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.953 21.042 -4.745 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.067 20.352 -5.295 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.447 22.098 -5.196 1.00 0.00 O ATOM 0 H GLU A 80 -4.268 19.672 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.945 18.506 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.918 20.590 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.588 19.525 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.301 19.849 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.884 21.389 -2.830 1.00 0.00 H new ATOM 1228 N SER A 81 -2.977 17.332 -1.354 1.00 0.00 N ATOM 1229 CA SER A 81 -2.096 16.186 -1.498 1.00 0.00 C ATOM 1230 C SER A 81 -2.573 15.044 -0.598 1.00 0.00 C ATOM 1231 O SER A 81 -2.490 13.876 -0.975 1.00 0.00 O ATOM 1232 CB SER A 81 -0.650 16.556 -1.163 1.00 0.00 C ATOM 1233 OG SER A 81 -0.464 17.967 -1.091 1.00 0.00 O ATOM 0 H SER A 81 -2.656 18.035 -0.689 1.00 0.00 H new ATOM 0 HA SER A 81 -2.127 15.860 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.371 16.104 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.015 16.141 -1.920 1.00 0.00 H new ATOM 0 HG SER A 81 -0.749 18.290 -0.211 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.063 15.421 0.574 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.553 14.443 1.530 1.00 0.00 C ATOM 1241 C ALA A 82 -4.531 13.498 0.830 1.00 0.00 C ATOM 1242 O ALA A 82 -4.632 12.326 1.189 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.190 15.166 2.719 1.00 0.00 C ATOM 0 H ALA A 82 -3.131 16.391 0.883 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.732 13.840 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.558 14.432 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.446 15.802 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.020 15.779 2.369 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.228 14.043 -0.156 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.195 13.263 -0.909 1.00 0.00 C ATOM 1251 C ASP A 83 -5.507 12.646 -2.129 1.00 0.00 C ATOM 1252 O ASP A 83 -5.540 11.430 -2.315 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.343 14.143 -1.409 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.759 15.265 -0.457 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -7.443 15.136 0.746 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -8.384 16.228 -0.952 1.00 0.00 O ATOM 0 H ASP A 83 -5.142 15.016 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.592 12.491 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.054 14.585 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.209 13.510 -1.601 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.901 13.512 -2.927 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.206 13.067 -4.123 1.00 0.00 C ATOM 1263 C ARG A 84 -3.442 11.772 -3.843 1.00 0.00 C ATOM 1264 O ARG A 84 -3.720 10.738 -4.449 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.226 14.132 -4.620 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.393 14.373 -6.121 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.201 13.815 -6.902 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.444 13.943 -8.356 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.300 15.084 -9.044 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.914 16.202 -8.414 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.543 15.107 -10.362 1.00 0.00 N ATOM 0 H ARG A 84 -4.877 14.519 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.955 12.891 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.390 15.063 -4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.204 13.817 -4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.313 13.902 -6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.490 15.442 -6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.293 14.352 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.043 12.768 -6.642 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.740 13.111 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.730 16.184 -7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.804 17.070 -8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.838 14.256 -10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.433 15.975 -10.886 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.492 11.870 -2.923 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.686 10.719 -2.555 1.00 0.00 C ATOM 1287 C LEU A 85 -2.605 9.538 -2.238 1.00 0.00 C ATOM 1288 O LEU A 85 -2.618 8.545 -2.964 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.730 11.077 -1.415 1.00 0.00 C ATOM 1290 CG LEU A 85 0.305 10.012 -1.048 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.432 9.963 -2.081 1.00 0.00 C ATOM 1292 CD2 LEU A 85 0.836 10.230 0.371 1.00 0.00 C ATOM 0 H LEU A 85 -2.263 12.729 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.053 10.416 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.201 11.991 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.322 11.301 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.186 9.039 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.154 9.198 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.018 9.724 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.929 10.932 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.570 9.460 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.306 11.211 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.011 10.175 1.081 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.351 9.684 -1.153 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.271 8.642 -0.731 1.00 0.00 C ATOM 1306 C ALA A 86 -4.996 8.081 -1.956 1.00 0.00 C ATOM 1307 O ALA A 86 -4.908 6.887 -2.241 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.239 9.206 0.312 1.00 0.00 C ATOM 0 H ALA A 86 -3.337 10.509 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.730 7.820 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.929 8.424 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.677 9.564 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.802 10.032 -0.123 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.696 8.968 -2.647 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.436 8.577 -3.835 1.00 0.00 C ATOM 1316 C TYR A 87 -5.559 7.752 -4.780 1.00 0.00 C ATOM 1317 O TYR A 87 -6.054 6.869 -5.479 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.833 9.879 -4.533 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.997 9.747 -6.048 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.640 8.648 -6.580 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -6.503 10.728 -6.884 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.796 8.524 -8.006 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -6.659 10.604 -8.310 1.00 0.00 C ATOM 1324 CZ TYR A 87 -7.297 9.508 -8.801 1.00 0.00 C ATOM 1325 OH TYR A 87 -7.444 9.391 -10.148 1.00 0.00 O ATOM 0 H TYR A 87 -5.767 9.957 -2.407 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.299 7.967 -3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.770 10.237 -4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.077 10.636 -4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.027 7.880 -5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -6.000 11.588 -6.469 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.298 7.669 -8.434 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.278 11.365 -8.975 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.040 10.167 -10.590 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.273 8.069 -4.770 1.00 0.00 N ATOM 1336 CA GLU A 88 -3.323 7.369 -5.617 1.00 0.00 C ATOM 1337 C GLU A 88 -2.906 6.048 -4.968 1.00 0.00 C ATOM 1338 O GLU A 88 -2.985 4.992 -5.593 1.00 0.00 O ATOM 1339 CB GLU A 88 -2.104 8.244 -5.914 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.469 9.393 -6.854 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.475 9.491 -8.013 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -1.475 8.554 -8.841 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.738 10.500 -8.046 1.00 0.00 O ATOM 0 H GLU A 88 -3.867 8.802 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.808 7.147 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.704 8.645 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.318 7.638 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.475 9.242 -7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.480 10.331 -6.300 1.00 0.00 H new ATOM 1350 N VAL A 89 -2.470 6.150 -3.721 1.00 0.00 N ATOM 1351 CA VAL A 89 -2.040 4.977 -2.979 1.00 0.00 C ATOM 1352 C VAL A 89 -2.985 3.813 -3.283 1.00 0.00 C ATOM 1353 O VAL A 89 -2.538 2.694 -3.531 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.954 5.304 -1.487 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.718 4.037 -0.662 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.867 6.346 -1.216 1.00 0.00 C ATOM 0 H VAL A 89 -2.405 7.028 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.040 4.674 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.909 5.730 -1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.661 4.297 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.542 3.341 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.783 3.570 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.827 6.561 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.098 5.960 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.096 7.261 -1.762 1.00 0.00 H new ATOM 1366 N SER A 90 -4.275 4.116 -3.253 1.00 0.00 N ATOM 1367 CA SER A 90 -5.287 3.109 -3.522 1.00 0.00 C ATOM 1368 C SER A 90 -4.917 2.318 -4.779 1.00 0.00 C ATOM 1369 O SER A 90 -4.654 1.118 -4.706 1.00 0.00 O ATOM 1370 CB SER A 90 -6.669 3.745 -3.683 1.00 0.00 C ATOM 1371 OG SER A 90 -6.706 4.672 -4.765 1.00 0.00 O ATOM 0 H SER A 90 -4.642 5.045 -3.046 1.00 0.00 H new ATOM 0 HA SER A 90 -5.327 2.429 -2.671 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.411 2.964 -3.849 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.944 4.254 -2.759 1.00 0.00 H new ATOM 0 HG SER A 90 -6.059 5.390 -4.603 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.908 3.021 -5.901 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.575 2.400 -7.171 1.00 0.00 C ATOM 1379 C LEU A 91 -3.276 1.605 -7.020 1.00 0.00 C ATOM 1380 O LEU A 91 -3.217 0.432 -7.383 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.528 3.448 -8.285 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.879 4.007 -8.737 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.568 4.764 -7.599 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -5.724 4.872 -9.989 1.00 0.00 C ATOM 0 H LEU A 91 -5.126 4.016 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.351 1.692 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.907 4.279 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.031 3.008 -9.150 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.523 3.169 -9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.526 5.151 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.733 4.088 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.937 5.593 -7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.699 5.256 -10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.055 5.706 -9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.307 4.271 -10.797 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.268 2.277 -6.484 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.974 1.649 -6.281 1.00 0.00 C ATOM 1398 C LEU A 92 -1.178 0.243 -5.713 1.00 0.00 C ATOM 1399 O LEU A 92 -0.686 -0.735 -6.274 1.00 0.00 O ATOM 1400 CB LEU A 92 -0.077 2.537 -5.416 1.00 0.00 C ATOM 1401 CG LEU A 92 -0.010 4.012 -5.814 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.309 4.643 -5.364 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -0.246 4.187 -7.316 1.00 0.00 C ATOM 0 H LEU A 92 -2.321 3.250 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.452 1.537 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.424 2.475 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.934 2.129 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.812 4.541 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.330 5.692 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.396 4.570 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.142 4.117 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.193 5.245 -7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.517 3.641 -7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.231 3.800 -7.577 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.906 0.186 -4.607 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.181 -1.084 -3.957 1.00 0.00 C ATOM 1417 C VAL A 93 -2.737 -2.069 -4.987 1.00 0.00 C ATOM 1418 O VAL A 93 -2.106 -3.082 -5.286 1.00 0.00 O ATOM 1419 CB VAL A 93 -3.120 -0.870 -2.767 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -3.190 -2.123 -1.892 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.695 0.349 -1.946 1.00 0.00 C ATOM 0 H VAL A 93 -2.314 0.999 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.263 -1.515 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.119 -0.679 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.864 -1.944 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.561 -2.960 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.195 -2.359 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.378 0.479 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.683 0.200 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.720 1.238 -2.575 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.912 -1.738 -5.502 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.559 -2.582 -6.492 1.00 0.00 C ATOM 1433 C PHE A 94 -3.576 -2.990 -7.591 1.00 0.00 C ATOM 1434 O PHE A 94 -3.428 -4.175 -7.887 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.687 -1.756 -7.115 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.835 -2.595 -7.678 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.593 -3.511 -8.654 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.098 -2.426 -7.202 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.659 -4.290 -9.176 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.164 -3.205 -7.725 1.00 0.00 C ATOM 1441 CZ PHE A 94 -8.922 -4.120 -8.701 1.00 0.00 C ATOM 0 H PHE A 94 -4.433 -0.897 -5.252 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.932 -3.491 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.084 -1.075 -6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.274 -1.141 -7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.590 -3.646 -9.032 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.290 -1.699 -6.426 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.467 -5.018 -9.950 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.167 -3.071 -7.347 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.733 -4.712 -9.099 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.931 -1.987 -8.166 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.966 -2.227 -9.226 1.00 0.00 C ATOM 1453 C GLN A 95 -0.859 -3.162 -8.734 1.00 0.00 C ATOM 1454 O GLN A 95 -0.662 -4.242 -9.289 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.382 -0.911 -9.745 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.105 -0.453 -11.013 1.00 0.00 C ATOM 1457 CD GLN A 95 -1.139 -0.376 -12.197 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.187 -1.131 -12.305 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -1.436 0.577 -13.076 1.00 0.00 N ATOM 0 H GLN A 95 -3.057 -1.006 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.481 -2.710 -10.057 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.467 -0.143 -8.976 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.320 -1.037 -9.953 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.915 -1.145 -11.244 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.558 0.524 -10.845 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.248 1.175 -12.925 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.851 0.710 -13.901 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.166 -2.713 -7.698 1.00 0.00 N ATOM 1469 CA LEU A 96 0.916 -3.495 -7.126 1.00 0.00 C ATOM 1470 C LEU A 96 0.340 -4.755 -6.476 1.00 0.00 C ATOM 1471 O LEU A 96 0.328 -5.823 -7.087 1.00 0.00 O ATOM 1472 CB LEU A 96 1.751 -2.638 -6.172 1.00 0.00 C ATOM 1473 CG LEU A 96 2.656 -1.593 -6.827 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.562 -2.235 -7.880 1.00 0.00 C ATOM 1475 CD2 LEU A 96 1.833 -0.441 -7.406 1.00 0.00 C ATOM 0 H LEU A 96 -0.333 -1.817 -7.240 1.00 0.00 H new ATOM 0 HA LEU A 96 1.603 -3.823 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.074 -2.126 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.372 -3.301 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 96 3.304 -1.172 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.195 -1.470 -8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.188 -2.993 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.949 -2.700 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.500 0.288 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.145 -0.827 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.267 0.039 -6.608 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.123 -4.589 -5.246 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.699 -5.699 -4.507 1.00 0.00 C ATOM 1489 C ALA A 97 -1.527 -6.565 -5.459 1.00 0.00 C ATOM 1490 O ALA A 97 -1.249 -7.752 -5.625 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.528 -5.161 -3.339 1.00 0.00 C ATOM 0 H ALA A 97 -0.111 -3.702 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 97 0.086 -6.328 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.960 -5.994 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.888 -4.578 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.328 -4.527 -3.722 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.528 -5.937 -6.059 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.398 -6.636 -6.990 1.00 0.00 C ATOM 1499 C GLY A 98 -4.834 -6.115 -6.895 1.00 0.00 C ATOM 1500 O GLY A 98 -5.379 -5.604 -7.872 1.00 0.00 O ATOM 0 H GLY A 98 -2.756 -4.953 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.027 -6.507 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.380 -7.705 -6.777 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.405 -6.261 -5.708 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.767 -5.812 -5.473 1.00 0.00 C ATOM 1506 C GLY A 99 -7.753 -6.553 -6.377 1.00 0.00 C ATOM 1507 O GLY A 99 -7.358 -7.142 -7.382 1.00 0.00 O ATOM 0 H GLY A 99 -4.949 -6.684 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.032 -5.976 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.837 -4.740 -5.655 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.018 -6.501 -5.988 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.065 -7.160 -6.751 1.00 0.00 C ATOM 1513 C ILE A 100 -11.247 -6.203 -6.919 1.00 0.00 C ATOM 1514 O ILE A 100 -11.378 -5.235 -6.172 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.441 -8.494 -6.103 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.213 -8.273 -4.801 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.204 -9.370 -5.894 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.418 -9.211 -4.712 1.00 0.00 C ATOM 0 H ILE A 100 -9.342 -6.012 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.710 -7.407 -7.751 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.104 -9.029 -6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.553 -8.441 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.549 -7.238 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.499 -10.312 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.733 -9.570 -6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.498 -8.853 -5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.949 -9.033 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.088 -9.024 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.077 -10.246 -4.744 1.00 0.00 H new