USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 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 75 THR OG1 : rot -161:sc= 0.525 USER MOD Set 1.2: A 77 HIS : no HD1:sc= -3.2! K(o=-2.7!,f=-0.46) USER MOD Set 2.1: A 72 CYS SG : rot -101:sc= 0.138 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 19 LYS NZ :NH3+ 163:sc= 0.0078 (180deg=0) USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0.00953 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 154:sc= -4.84! (180deg=-7.57!) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 0.342 (180deg=-0.18) USER MOD Single : A 27 ASN : amide:sc= -3.27! C(o=-3.3!,f=-13!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 41:sc= 0.634 USER MOD Single : A 42 HIS : no HD1:sc= -2.24! K(o=-2.2!,f=-0.049) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -0.138 (180deg=-0.667) USER MOD Single : A 47 HIS : no HE2:sc= 0.266 K(o=0.27,f=-3.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -101:sc= 1.01 USER MOD Single : A 63 SER OG : rot -91:sc= -0.219 USER MOD Single : A 67 HIS : no HD1:sc= -3.08 X(o=-3.1,f=-2.7) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.224 (180deg=-0.444) USER MOD Single : A 80 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 14.852 0.532 -0.903 1.00 0.00 N ATOM 158 CA PHE A 14 13.652 -0.294 -0.967 1.00 0.00 C ATOM 159 C PHE A 14 13.966 -1.740 -0.592 1.00 0.00 C ATOM 160 O PHE A 14 15.049 -2.245 -0.882 1.00 0.00 O ATOM 161 CB PHE A 14 13.044 -0.241 -2.371 1.00 0.00 C ATOM 162 CG PHE A 14 12.428 1.087 -2.707 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.217 2.218 -2.840 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.059 1.204 -2.889 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.653 3.441 -3.150 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.490 2.425 -3.199 1.00 0.00 C ATOM 167 CZ PHE A 14 11.287 3.545 -3.328 1.00 0.00 C ATOM 0 HA PHE A 14 12.931 0.101 -0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.819 -0.469 -3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.284 -1.018 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.285 2.143 -2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.430 0.332 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.280 4.315 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.422 2.503 -3.340 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.844 4.500 -3.568 1.00 0.00 H new ATOM 177 N GLN A 15 13.009 -2.397 0.056 1.00 0.00 N ATOM 178 CA GLN A 15 13.184 -3.784 0.473 1.00 0.00 C ATOM 179 C GLN A 15 12.121 -4.679 -0.154 1.00 0.00 C ATOM 180 O GLN A 15 11.090 -4.199 -0.628 1.00 0.00 O ATOM 181 CB GLN A 15 13.124 -3.892 1.997 1.00 0.00 C ATOM 182 CG GLN A 15 14.236 -3.133 2.705 1.00 0.00 C ATOM 183 CD GLN A 15 13.866 -2.745 4.123 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.198 -1.735 4.348 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.299 -3.547 5.089 1.00 0.00 N ATOM 0 H GLN A 15 12.106 -1.992 0.303 1.00 0.00 H new ATOM 0 HA GLN A 15 14.163 -4.119 0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.161 -3.515 2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.175 -4.943 2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.136 -3.748 2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.476 -2.234 2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.850 -4.374 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.081 -3.336 6.063 1.00 0.00 H new ATOM 194 N LYS A 16 12.377 -5.983 -0.154 1.00 0.00 N ATOM 195 CA LYS A 16 11.442 -6.947 -0.722 1.00 0.00 C ATOM 196 C LYS A 16 10.415 -7.385 0.317 1.00 0.00 C ATOM 197 O LYS A 16 10.701 -7.416 1.514 1.00 0.00 O ATOM 198 CB LYS A 16 12.196 -8.167 -1.256 1.00 0.00 C ATOM 199 CG LYS A 16 12.611 -8.037 -2.711 1.00 0.00 C ATOM 200 CD LYS A 16 13.883 -8.815 -3.000 1.00 0.00 C ATOM 201 CE LYS A 16 13.920 -9.309 -4.438 1.00 0.00 C ATOM 202 NZ LYS A 16 14.769 -10.524 -4.586 1.00 0.00 N ATOM 0 H LYS A 16 13.225 -6.397 0.233 1.00 0.00 H new ATOM 0 HA LYS A 16 10.916 -6.464 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.085 -8.329 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.567 -9.050 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.808 -8.399 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.764 -6.985 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.749 -8.182 -2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.954 -9.664 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.906 -9.531 -4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.302 -8.518 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.768 -10.829 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.742 -10.305 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.390 -11.287 -3.989 1.00 0.00 H new ATOM 216 N LYS A 17 9.217 -7.725 -0.148 1.00 0.00 N ATOM 217 CA LYS A 17 8.148 -8.165 0.739 1.00 0.00 C ATOM 218 C LYS A 17 7.652 -7.013 1.606 1.00 0.00 C ATOM 219 O LYS A 17 7.127 -7.227 2.699 1.00 0.00 O ATOM 220 CB LYS A 17 8.634 -9.313 1.627 1.00 0.00 C ATOM 221 CG LYS A 17 9.372 -10.400 0.866 1.00 0.00 C ATOM 222 CD LYS A 17 9.586 -11.636 1.725 1.00 0.00 C ATOM 223 CE LYS A 17 9.663 -12.897 0.878 1.00 0.00 C ATOM 224 NZ LYS A 17 11.058 -13.194 0.452 1.00 0.00 N ATOM 0 H LYS A 17 8.963 -7.704 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 17 7.320 -8.516 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.291 -8.911 2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.778 -9.755 2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.806 -10.669 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.336 -10.019 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.505 -11.526 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.770 -11.727 2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.269 -13.740 1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.031 -12.782 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.068 -14.061 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.425 -12.400 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.656 -13.329 1.292 1.00 0.00 H new ATOM 238 N MET A 18 7.820 -5.791 1.111 1.00 0.00 N ATOM 239 CA MET A 18 7.386 -4.605 1.841 1.00 0.00 C ATOM 240 C MET A 18 6.199 -3.944 1.148 1.00 0.00 C ATOM 241 O MET A 18 5.802 -4.348 0.055 1.00 0.00 O ATOM 242 CB MET A 18 8.539 -3.607 1.966 1.00 0.00 C ATOM 243 CG MET A 18 8.689 -2.698 0.756 1.00 0.00 C ATOM 244 SD MET A 18 9.860 -1.356 1.038 1.00 0.00 S ATOM 245 CE MET A 18 9.779 -0.501 -0.535 1.00 0.00 C ATOM 0 H MET A 18 8.253 -5.596 0.208 1.00 0.00 H new ATOM 0 HA MET A 18 7.074 -4.916 2.838 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.384 -2.994 2.854 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.469 -4.155 2.116 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.018 -3.289 -0.099 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.716 -2.279 0.498 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.047 0.546 -0.394 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.474 -0.963 -1.236 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.766 -0.566 -0.932 1.00 0.00 H new ATOM 255 N LYS A 19 5.635 -2.927 1.790 1.00 0.00 N ATOM 256 CA LYS A 19 4.494 -2.209 1.236 1.00 0.00 C ATOM 257 C LYS A 19 4.865 -0.766 0.910 1.00 0.00 C ATOM 258 O LYS A 19 5.715 -0.168 1.571 1.00 0.00 O ATOM 259 CB LYS A 19 3.322 -2.236 2.219 1.00 0.00 C ATOM 260 CG LYS A 19 2.714 -3.616 2.403 1.00 0.00 C ATOM 261 CD LYS A 19 2.192 -4.175 1.091 1.00 0.00 C ATOM 262 CE LYS A 19 1.483 -5.506 1.294 1.00 0.00 C ATOM 263 NZ LYS A 19 2.440 -6.647 1.309 1.00 0.00 N ATOM 0 H LYS A 19 5.950 -2.581 2.696 1.00 0.00 H new ATOM 0 HA LYS A 19 4.197 -2.707 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.661 -1.866 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.549 -1.551 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.463 -4.292 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.900 -3.562 3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.504 -3.461 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.020 -4.305 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.930 -5.483 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.753 -5.654 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.980 -7.481 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.735 -6.866 0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.275 -6.392 1.874 1.00 0.00 H new ATOM 277 N LEU A 20 4.221 -0.210 -0.111 1.00 0.00 N ATOM 278 CA LEU A 20 4.482 1.164 -0.523 1.00 0.00 C ATOM 279 C LEU A 20 3.372 1.680 -1.433 1.00 0.00 C ATOM 280 O LEU A 20 2.868 0.951 -2.287 1.00 0.00 O ATOM 281 CB LEU A 20 5.830 1.255 -1.242 1.00 0.00 C ATOM 282 CG LEU A 20 5.791 1.101 -2.763 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.622 2.456 -3.432 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.053 0.412 -3.262 1.00 0.00 C ATOM 0 H LEU A 20 3.514 -0.690 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 20 4.512 1.786 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.281 2.219 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.488 0.487 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 20 4.934 0.480 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.596 2.327 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.690 2.913 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.458 3.101 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.008 0.311 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.925 1.007 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.132 -0.576 -2.808 1.00 0.00 H new ATOM 296 N GLU A 21 2.998 2.942 -1.246 1.00 0.00 N ATOM 297 CA GLU A 21 1.949 3.555 -2.051 1.00 0.00 C ATOM 298 C GLU A 21 2.499 4.025 -3.395 1.00 0.00 C ATOM 299 O GLU A 21 3.362 4.901 -3.453 1.00 0.00 O ATOM 300 CB GLU A 21 1.324 4.734 -1.303 1.00 0.00 C ATOM 301 CG GLU A 21 0.420 4.317 -0.155 1.00 0.00 C ATOM 302 CD GLU A 21 -0.284 5.494 0.491 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.203 6.611 -0.062 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.917 5.298 1.549 1.00 0.00 O ATOM 0 H GLU A 21 3.406 3.559 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 21 1.182 2.803 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.120 5.370 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.749 5.336 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.324 3.610 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.012 3.795 0.597 1.00 0.00 H new ATOM 311 N VAL A 22 1.993 3.435 -4.473 1.00 0.00 N ATOM 312 CA VAL A 22 2.432 3.792 -5.817 1.00 0.00 C ATOM 313 C VAL A 22 1.333 4.526 -6.577 1.00 0.00 C ATOM 314 O VAL A 22 0.159 4.163 -6.498 1.00 0.00 O ATOM 315 CB VAL A 22 2.852 2.547 -6.620 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.345 2.944 -8.003 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.920 1.766 -5.869 1.00 0.00 C ATOM 0 H VAL A 22 1.279 2.708 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 22 3.294 4.450 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 22 1.981 1.904 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.637 2.051 -8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.548 3.458 -8.540 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.204 3.608 -7.906 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.206 0.889 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.793 2.400 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.527 1.449 -4.903 1.00 0.00 H new ATOM 327 N VAL A 23 1.721 5.562 -7.315 1.00 0.00 N ATOM 328 CA VAL A 23 0.769 6.347 -8.092 1.00 0.00 C ATOM 329 C VAL A 23 0.455 5.670 -9.422 1.00 0.00 C ATOM 330 O VAL A 23 1.324 5.541 -10.284 1.00 0.00 O ATOM 331 CB VAL A 23 1.302 7.766 -8.363 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.336 8.538 -9.249 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.544 8.503 -7.055 1.00 0.00 C ATOM 0 H VAL A 23 2.688 5.877 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.143 6.417 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 23 2.254 7.684 -8.888 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.729 9.539 -9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.218 8.017 -10.199 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.632 8.612 -8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.920 9.504 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.609 8.576 -6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.277 7.958 -6.460 1.00 0.00 H new ATOM 343 N ASP A 24 -0.792 5.242 -9.581 1.00 0.00 N ATOM 344 CA ASP A 24 -1.223 4.580 -10.807 1.00 0.00 C ATOM 345 C ASP A 24 -0.877 5.423 -12.030 1.00 0.00 C ATOM 346 O ASP A 24 -1.475 6.473 -12.263 1.00 0.00 O ATOM 347 CB ASP A 24 -2.728 4.312 -10.766 1.00 0.00 C ATOM 348 CG ASP A 24 -3.139 3.174 -11.679 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.275 2.674 -12.430 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.324 2.782 -11.642 1.00 0.00 O ATOM 0 H ASP A 24 -1.523 5.341 -8.876 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.695 3.629 -10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.025 4.079 -9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.263 5.217 -11.055 1.00 0.00 H new ATOM 355 N LYS A 25 0.094 4.957 -12.808 1.00 0.00 N ATOM 356 CA LYS A 25 0.521 5.667 -14.008 1.00 0.00 C ATOM 357 C LYS A 25 -0.682 6.177 -14.795 1.00 0.00 C ATOM 358 O LYS A 25 -0.821 7.379 -15.025 1.00 0.00 O ATOM 359 CB LYS A 25 1.371 4.752 -14.892 1.00 0.00 C ATOM 360 CG LYS A 25 2.108 3.672 -14.119 1.00 0.00 C ATOM 361 CD LYS A 25 2.870 4.252 -12.939 1.00 0.00 C ATOM 362 CE LYS A 25 4.244 4.755 -13.357 1.00 0.00 C ATOM 363 NZ LYS A 25 5.166 3.635 -13.692 1.00 0.00 N ATOM 0 H LYS A 25 0.601 4.090 -12.629 1.00 0.00 H new ATOM 0 HA LYS A 25 1.121 6.523 -13.699 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.729 4.280 -15.636 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.097 5.357 -15.435 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.396 2.928 -13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.802 3.157 -14.783 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.299 5.071 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.979 3.492 -12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.143 5.413 -14.220 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.673 5.350 -12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.143 3.909 -13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.904 2.793 -13.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.097 3.420 -14.707 1.00 0.00 H new ATOM 377 N ARG A 26 -1.549 5.257 -15.204 1.00 0.00 N ATOM 378 CA ARG A 26 -2.740 5.615 -15.965 1.00 0.00 C ATOM 379 C ARG A 26 -3.604 6.606 -15.190 1.00 0.00 C ATOM 380 O ARG A 26 -4.237 7.483 -15.775 1.00 0.00 O ATOM 381 CB ARG A 26 -3.555 4.363 -16.297 1.00 0.00 C ATOM 382 CG ARG A 26 -3.782 3.451 -15.103 1.00 0.00 C ATOM 383 CD ARG A 26 -3.725 1.985 -15.504 1.00 0.00 C ATOM 384 NE ARG A 26 -2.417 1.614 -16.037 1.00 0.00 N ATOM 385 CZ ARG A 26 -2.215 0.563 -16.825 1.00 0.00 C ATOM 386 NH1 ARG A 26 -3.231 -0.216 -17.169 1.00 0.00 N ATOM 387 NH2 ARG A 26 -0.995 0.291 -17.270 1.00 0.00 N ATOM 0 H ARG A 26 -1.449 4.258 -15.021 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.418 6.088 -16.893 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.521 4.665 -16.702 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.043 3.803 -17.079 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.028 3.651 -14.342 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.752 3.670 -14.656 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.953 1.363 -14.638 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.492 1.784 -16.252 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.614 2.193 -15.791 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.170 -0.009 -16.829 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.074 -1.022 -17.774 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.211 0.889 -17.007 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.841 -0.516 -17.875 1.00 0.00 H new ATOM 401 N ASN A 27 -3.624 6.457 -13.869 1.00 0.00 N ATOM 402 CA ASN A 27 -4.411 7.338 -13.013 1.00 0.00 C ATOM 403 C ASN A 27 -3.545 7.940 -11.910 1.00 0.00 C ATOM 404 O ASN A 27 -3.401 7.379 -10.824 1.00 0.00 O ATOM 405 CB ASN A 27 -5.582 6.571 -12.396 1.00 0.00 C ATOM 406 CG ASN A 27 -6.394 5.822 -13.434 1.00 0.00 C ATOM 407 OD1 ASN A 27 -5.967 5.666 -14.578 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.573 5.355 -13.039 1.00 0.00 N ATOM 0 H ASN A 27 -3.105 5.735 -13.369 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.801 8.149 -13.628 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.202 5.865 -11.658 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.230 7.268 -11.866 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.164 4.844 -13.694 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.887 5.508 -12.081 1.00 0.00 H new ATOM 415 N PRO A 28 -2.955 9.111 -12.194 1.00 0.00 N ATOM 416 CA PRO A 28 -2.095 9.816 -11.240 1.00 0.00 C ATOM 417 C PRO A 28 -2.879 10.385 -10.063 1.00 0.00 C ATOM 418 O PRO A 28 -2.301 10.765 -9.045 1.00 0.00 O ATOM 419 CB PRO A 28 -1.489 10.946 -12.075 1.00 0.00 C ATOM 420 CG PRO A 28 -2.474 11.178 -13.169 1.00 0.00 C ATOM 421 CD PRO A 28 -3.083 9.837 -13.469 1.00 0.00 C ATOM 0 HA PRO A 28 -1.354 9.153 -10.794 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.342 11.845 -11.477 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.514 10.665 -12.473 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.237 11.893 -12.862 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.986 11.591 -14.052 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.125 9.929 -13.776 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.556 9.328 -14.276 1.00 0.00 H new ATOM 429 N MET A 29 -4.199 10.441 -10.209 1.00 0.00 N ATOM 430 CA MET A 29 -5.063 10.963 -9.156 1.00 0.00 C ATOM 431 C MET A 29 -5.548 9.840 -8.245 1.00 0.00 C ATOM 432 O MET A 29 -6.454 10.033 -7.433 1.00 0.00 O ATOM 433 CB MET A 29 -6.260 11.694 -9.765 1.00 0.00 C ATOM 434 CG MET A 29 -5.896 13.016 -10.420 1.00 0.00 C ATOM 435 SD MET A 29 -5.537 12.844 -12.179 1.00 0.00 S ATOM 436 CE MET A 29 -5.287 14.556 -12.643 1.00 0.00 C ATOM 0 H MET A 29 -4.694 10.132 -11.046 1.00 0.00 H new ATOM 0 HA MET A 29 -4.482 11.666 -8.559 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.731 11.048 -10.506 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.999 11.876 -8.985 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.717 13.721 -10.288 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.028 13.440 -9.916 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.056 14.615 -13.707 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.194 15.125 -12.437 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.459 14.972 -12.068 1.00 0.00 H new ATOM 446 N PHE A 30 -4.940 8.666 -8.384 1.00 0.00 N ATOM 447 CA PHE A 30 -5.312 7.512 -7.574 1.00 0.00 C ATOM 448 C PHE A 30 -4.071 6.794 -7.050 1.00 0.00 C ATOM 449 O PHE A 30 -3.111 6.574 -7.788 1.00 0.00 O ATOM 450 CB PHE A 30 -6.169 6.543 -8.391 1.00 0.00 C ATOM 451 CG PHE A 30 -7.626 6.908 -8.417 1.00 0.00 C ATOM 452 CD1 PHE A 30 -8.075 7.964 -9.195 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.546 6.196 -7.666 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.415 8.302 -9.220 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.887 6.529 -7.688 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.322 7.583 -8.467 1.00 0.00 C ATOM 0 H PHE A 30 -4.188 8.489 -9.050 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.892 7.868 -6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.792 6.511 -9.413 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.061 5.539 -7.980 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.370 8.528 -9.788 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.211 5.370 -7.056 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.752 9.128 -9.828 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.594 5.966 -7.097 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.370 7.844 -8.487 1.00 0.00 H new ATOM 466 N ILE A 31 -4.100 6.431 -5.772 1.00 0.00 N ATOM 467 CA ILE A 31 -2.980 5.738 -5.149 1.00 0.00 C ATOM 468 C ILE A 31 -3.447 4.483 -4.419 1.00 0.00 C ATOM 469 O ILE A 31 -4.524 4.464 -3.824 1.00 0.00 O ATOM 470 CB ILE A 31 -2.236 6.649 -4.155 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.624 7.846 -4.887 1.00 0.00 C ATOM 472 CG2 ILE A 31 -1.160 5.864 -3.421 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.436 9.061 -4.006 1.00 0.00 C ATOM 0 H ILE A 31 -4.888 6.606 -5.148 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.298 5.456 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.951 7.022 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.659 7.554 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.263 8.113 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.643 6.521 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.620 5.041 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.445 5.466 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.998 9.870 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.402 9.379 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.772 8.811 -3.178 1.00 0.00 H new ATOM 485 N ARG A 32 -2.629 3.437 -4.469 1.00 0.00 N ATOM 486 CA ARG A 32 -2.957 2.178 -3.812 1.00 0.00 C ATOM 487 C ARG A 32 -1.718 1.558 -3.172 1.00 0.00 C ATOM 488 O ARG A 32 -0.617 2.099 -3.276 1.00 0.00 O ATOM 489 CB ARG A 32 -3.570 1.199 -4.815 1.00 0.00 C ATOM 490 CG ARG A 32 -4.994 1.549 -5.216 1.00 0.00 C ATOM 491 CD ARG A 32 -5.774 0.313 -5.637 1.00 0.00 C ATOM 492 NE ARG A 32 -6.985 0.656 -6.378 1.00 0.00 N ATOM 493 CZ ARG A 32 -8.007 -0.176 -6.541 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.965 -1.394 -6.017 1.00 0.00 N ATOM 495 NH2 ARG A 32 -9.075 0.209 -7.228 1.00 0.00 N ATOM 0 H ARG A 32 -1.734 3.437 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.684 2.386 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.947 1.170 -5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.558 0.197 -4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.500 2.033 -4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.976 2.266 -6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.140 -0.323 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.042 -0.265 -4.753 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.049 1.586 -6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.146 -1.693 -5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.751 -2.031 -6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.112 1.145 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.859 -0.431 -7.352 1.00 0.00 H new ATOM 509 N VAL A 33 -1.906 0.421 -2.511 1.00 0.00 N ATOM 510 CA VAL A 33 -0.804 -0.273 -1.855 1.00 0.00 C ATOM 511 C VAL A 33 -0.067 -1.181 -2.832 1.00 0.00 C ATOM 512 O VAL A 33 -0.687 -1.881 -3.632 1.00 0.00 O ATOM 513 CB VAL A 33 -1.300 -1.113 -0.663 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.139 -1.843 -0.004 1.00 0.00 C ATOM 515 CG2 VAL A 33 -2.027 -0.234 0.343 1.00 0.00 C ATOM 0 H VAL A 33 -2.811 -0.040 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.120 0.493 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.003 -1.858 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.509 -2.431 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.334 -2.504 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.591 -1.117 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.370 -0.844 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.349 0.536 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.884 0.237 -0.138 1.00 0.00 H new ATOM 525 N ALA A 34 1.260 -1.166 -2.761 1.00 0.00 N ATOM 526 CA ALA A 34 2.082 -1.991 -3.637 1.00 0.00 C ATOM 527 C ALA A 34 2.968 -2.934 -2.832 1.00 0.00 C ATOM 528 O ALA A 34 3.192 -2.726 -1.639 1.00 0.00 O ATOM 529 CB ALA A 34 2.931 -1.112 -4.545 1.00 0.00 C ATOM 0 H ALA A 34 1.789 -0.591 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 34 1.418 -2.597 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.540 -1.741 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.281 -0.484 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.580 -0.481 -3.938 1.00 0.00 H new ATOM 535 N THR A 35 3.471 -3.974 -3.490 1.00 0.00 N ATOM 536 CA THR A 35 4.331 -4.951 -2.835 1.00 0.00 C ATOM 537 C THR A 35 5.604 -5.189 -3.639 1.00 0.00 C ATOM 538 O THR A 35 5.579 -5.844 -4.681 1.00 0.00 O ATOM 539 CB THR A 35 3.605 -6.294 -2.635 1.00 0.00 C ATOM 540 OG1 THR A 35 2.416 -6.098 -1.861 1.00 0.00 O ATOM 541 CG2 THR A 35 4.509 -7.300 -1.939 1.00 0.00 C ATOM 0 H THR A 35 3.297 -4.161 -4.477 1.00 0.00 H new ATOM 0 HA THR A 35 4.592 -4.539 -1.860 1.00 0.00 H new ATOM 0 HB THR A 35 3.339 -6.687 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.959 -6.957 -1.740 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.974 -8.241 -1.809 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.399 -7.470 -2.545 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.803 -6.912 -0.964 1.00 0.00 H new ATOM 549 N VAL A 36 6.717 -4.655 -3.147 1.00 0.00 N ATOM 550 CA VAL A 36 8.002 -4.811 -3.819 1.00 0.00 C ATOM 551 C VAL A 36 8.347 -6.284 -4.008 1.00 0.00 C ATOM 552 O VAL A 36 8.747 -6.964 -3.064 1.00 0.00 O ATOM 553 CB VAL A 36 9.135 -4.126 -3.032 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.398 -4.045 -3.875 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.702 -2.743 -2.571 1.00 0.00 C ATOM 0 H VAL A 36 6.755 -4.110 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 36 7.909 -4.334 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 36 9.355 -4.726 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.187 -3.558 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.717 -5.050 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.196 -3.468 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.514 -2.273 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.454 -2.132 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.827 -2.832 -1.927 1.00 0.00 H new ATOM 565 N ALA A 37 8.191 -6.770 -5.236 1.00 0.00 N ATOM 566 CA ALA A 37 8.489 -8.161 -5.550 1.00 0.00 C ATOM 567 C ALA A 37 9.974 -8.353 -5.840 1.00 0.00 C ATOM 568 O ALA A 37 10.613 -9.250 -5.289 1.00 0.00 O ATOM 569 CB ALA A 37 7.654 -8.626 -6.734 1.00 0.00 C ATOM 0 H ALA A 37 7.860 -6.220 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 37 8.234 -8.766 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.887 -9.667 -6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.595 -8.535 -6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.880 -8.009 -7.604 1.00 0.00 H new ATOM 575 N ASP A 38 10.517 -7.506 -6.707 1.00 0.00 N ATOM 576 CA ASP A 38 11.927 -7.582 -7.070 1.00 0.00 C ATOM 577 C ASP A 38 12.560 -6.194 -7.086 1.00 0.00 C ATOM 578 O ASP A 38 11.987 -5.244 -7.622 1.00 0.00 O ATOM 579 CB ASP A 38 12.088 -8.245 -8.439 1.00 0.00 C ATOM 580 CG ASP A 38 13.410 -8.975 -8.577 1.00 0.00 C ATOM 581 OD1 ASP A 38 13.579 -10.022 -7.919 1.00 0.00 O ATOM 582 OD2 ASP A 38 14.274 -8.499 -9.342 1.00 0.00 O ATOM 0 H ASP A 38 10.002 -6.758 -7.172 1.00 0.00 H new ATOM 0 HA ASP A 38 12.438 -8.186 -6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.270 -8.948 -8.598 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.012 -7.486 -9.218 1.00 0.00 H new ATOM 587 N THR A 39 13.745 -6.082 -6.493 1.00 0.00 N ATOM 588 CA THR A 39 14.454 -4.811 -6.437 1.00 0.00 C ATOM 589 C THR A 39 15.649 -4.805 -7.383 1.00 0.00 C ATOM 590 O THR A 39 16.637 -5.505 -7.155 1.00 0.00 O ATOM 591 CB THR A 39 14.943 -4.503 -5.009 1.00 0.00 C ATOM 592 OG1 THR A 39 15.769 -5.572 -4.533 1.00 0.00 O ATOM 593 CG2 THR A 39 13.767 -4.306 -4.065 1.00 0.00 C ATOM 0 H THR A 39 14.233 -6.857 -6.045 1.00 0.00 H new ATOM 0 HA THR A 39 13.747 -4.041 -6.745 1.00 0.00 H new ATOM 0 HB THR A 39 15.523 -3.581 -5.038 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.355 -5.880 -5.256 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.137 -4.090 -3.063 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.156 -3.473 -4.414 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.164 -5.214 -4.041 1.00 0.00 H new ATOM 601 N ASP A 40 15.554 -4.012 -8.444 1.00 0.00 N ATOM 602 CA ASP A 40 16.629 -3.915 -9.425 1.00 0.00 C ATOM 603 C ASP A 40 17.785 -3.081 -8.882 1.00 0.00 C ATOM 604 O ASP A 40 17.778 -2.672 -7.721 1.00 0.00 O ATOM 605 CB ASP A 40 16.108 -3.301 -10.725 1.00 0.00 C ATOM 606 CG ASP A 40 16.901 -3.751 -11.937 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.527 -4.830 -11.869 1.00 0.00 O ATOM 608 OD2 ASP A 40 16.895 -3.025 -12.952 1.00 0.00 O ATOM 0 H ASP A 40 14.744 -3.427 -8.647 1.00 0.00 H new ATOM 0 HA ASP A 40 16.994 -4.922 -9.629 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.061 -3.573 -10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.148 -2.214 -10.652 1.00 0.00 H new ATOM 613 N ASP A 41 18.778 -2.833 -9.730 1.00 0.00 N ATOM 614 CA ASP A 41 19.942 -2.048 -9.336 1.00 0.00 C ATOM 615 C ASP A 41 19.558 -0.593 -9.090 1.00 0.00 C ATOM 616 O ASP A 41 20.056 0.043 -8.160 1.00 0.00 O ATOM 617 CB ASP A 41 21.026 -2.128 -10.412 1.00 0.00 C ATOM 618 CG ASP A 41 21.741 -3.465 -10.416 1.00 0.00 C ATOM 619 OD1 ASP A 41 21.121 -4.468 -10.827 1.00 0.00 O ATOM 620 OD2 ASP A 41 22.920 -3.507 -10.010 1.00 0.00 O ATOM 0 H ASP A 41 18.800 -3.164 -10.694 1.00 0.00 H new ATOM 0 HA ASP A 41 20.332 -2.464 -8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.576 -1.957 -11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.752 -1.331 -10.252 1.00 0.00 H new ATOM 625 N HIS A 42 18.670 -0.070 -9.929 1.00 0.00 N ATOM 626 CA HIS A 42 18.219 1.311 -9.803 1.00 0.00 C ATOM 627 C HIS A 42 16.698 1.396 -9.884 1.00 0.00 C ATOM 628 O HIS A 42 16.131 2.484 -9.979 1.00 0.00 O ATOM 629 CB HIS A 42 18.848 2.177 -10.895 1.00 0.00 C ATOM 630 CG HIS A 42 19.148 1.427 -12.156 1.00 0.00 C ATOM 631 ND1 HIS A 42 20.210 1.734 -12.980 1.00 0.00 N ATOM 632 CD2 HIS A 42 18.518 0.376 -12.732 1.00 0.00 C ATOM 633 CE1 HIS A 42 20.220 0.905 -14.009 1.00 0.00 C ATOM 634 NE2 HIS A 42 19.204 0.071 -13.882 1.00 0.00 N ATOM 0 H HIS A 42 18.248 -0.582 -10.704 1.00 0.00 H new ATOM 0 HA HIS A 42 18.535 1.682 -8.828 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.175 3.003 -11.125 1.00 0.00 H new ATOM 0 HB3 HIS A 42 19.771 2.614 -10.514 1.00 0.00 H new ATOM 0 HD2 HIS A 42 17.640 -0.128 -12.357 1.00 0.00 H new ATOM 0 HE1 HIS A 42 20.937 0.909 -14.817 1.00 0.00 H new ATOM 0 HE2 HIS A 42 18.967 -0.678 -14.532 1.00 0.00 H new ATOM 643 N ARG A 43 16.043 0.240 -9.847 1.00 0.00 N ATOM 644 CA ARG A 43 14.588 0.183 -9.919 1.00 0.00 C ATOM 645 C ARG A 43 14.040 -0.909 -9.005 1.00 0.00 C ATOM 646 O ARG A 43 14.799 -1.683 -8.421 1.00 0.00 O ATOM 647 CB ARG A 43 14.136 -0.068 -11.359 1.00 0.00 C ATOM 648 CG ARG A 43 14.795 0.852 -12.373 1.00 0.00 C ATOM 649 CD ARG A 43 13.929 1.028 -13.611 1.00 0.00 C ATOM 650 NE ARG A 43 14.722 1.362 -14.791 1.00 0.00 N ATOM 651 CZ ARG A 43 15.376 0.461 -15.515 1.00 0.00 C ATOM 652 NH1 ARG A 43 15.331 -0.822 -15.182 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.076 0.842 -16.576 1.00 0.00 N ATOM 0 H ARG A 43 16.497 -0.670 -9.768 1.00 0.00 H new ATOM 0 HA ARG A 43 14.196 1.143 -9.585 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.354 -1.103 -11.624 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.055 0.055 -11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.981 1.824 -11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.764 0.444 -12.660 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.372 0.110 -13.797 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.196 1.815 -13.432 1.00 0.00 H new ATOM 0 HE ARG A 43 14.777 2.340 -15.074 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.793 -1.119 -14.368 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.834 -1.512 -15.740 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.112 1.828 -16.836 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.578 0.149 -17.131 1.00 0.00 H new ATOM 667 N VAL A 44 12.718 -0.965 -8.884 1.00 0.00 N ATOM 668 CA VAL A 44 12.068 -1.962 -8.042 1.00 0.00 C ATOM 669 C VAL A 44 10.665 -2.278 -8.546 1.00 0.00 C ATOM 670 O VAL A 44 9.802 -1.402 -8.605 1.00 0.00 O ATOM 671 CB VAL A 44 11.981 -1.490 -6.578 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.373 -1.308 -5.993 1.00 0.00 C ATOM 673 CG2 VAL A 44 11.180 -0.201 -6.481 1.00 0.00 C ATOM 0 H VAL A 44 12.075 -0.331 -9.359 1.00 0.00 H new ATOM 0 HA VAL A 44 12.679 -2.863 -8.090 1.00 0.00 H new ATOM 0 HB VAL A 44 11.466 -2.255 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.292 -0.974 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.909 -2.256 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.917 -0.563 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.129 0.118 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.665 0.574 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.172 -0.370 -6.859 1.00 0.00 H new ATOM 683 N LYS A 45 10.442 -3.536 -8.910 1.00 0.00 N ATOM 684 CA LYS A 45 9.142 -3.970 -9.409 1.00 0.00 C ATOM 685 C LYS A 45 8.073 -3.837 -8.329 1.00 0.00 C ATOM 686 O LYS A 45 8.162 -4.463 -7.272 1.00 0.00 O ATOM 687 CB LYS A 45 9.217 -5.421 -9.892 1.00 0.00 C ATOM 688 CG LYS A 45 8.018 -5.849 -10.719 1.00 0.00 C ATOM 689 CD LYS A 45 8.319 -7.095 -11.535 1.00 0.00 C ATOM 690 CE LYS A 45 7.464 -7.159 -12.792 1.00 0.00 C ATOM 691 NZ LYS A 45 6.176 -7.866 -12.550 1.00 0.00 N ATOM 0 H LYS A 45 11.145 -4.274 -8.869 1.00 0.00 H new ATOM 0 HA LYS A 45 8.869 -3.328 -10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.122 -5.551 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.305 -6.079 -9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.170 -6.040 -10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.727 -5.038 -11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.374 -7.105 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.140 -7.982 -10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.263 -6.148 -13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.016 -7.669 -13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.534 -7.701 -13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.353 -8.886 -12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.741 -7.505 -11.677 1.00 0.00 H new ATOM 705 N VAL A 46 7.061 -3.020 -8.602 1.00 0.00 N ATOM 706 CA VAL A 46 5.973 -2.807 -7.655 1.00 0.00 C ATOM 707 C VAL A 46 4.719 -3.561 -8.081 1.00 0.00 C ATOM 708 O VAL A 46 4.147 -3.290 -9.138 1.00 0.00 O ATOM 709 CB VAL A 46 5.637 -1.310 -7.514 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.722 -0.591 -6.726 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.451 -0.675 -8.883 1.00 0.00 C ATOM 0 H VAL A 46 6.972 -2.494 -9.472 1.00 0.00 H new ATOM 0 HA VAL A 46 6.312 -3.188 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 46 4.700 -1.216 -6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.467 0.465 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.801 -1.031 -5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.676 -0.692 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.214 0.382 -8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.370 -0.779 -9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.635 -1.173 -9.407 1.00 0.00 H new ATOM 721 N HIS A 47 4.294 -4.508 -7.251 1.00 0.00 N ATOM 722 CA HIS A 47 3.105 -5.301 -7.541 1.00 0.00 C ATOM 723 C HIS A 47 1.928 -4.851 -6.680 1.00 0.00 C ATOM 724 O HIS A 47 1.998 -4.880 -5.451 1.00 0.00 O ATOM 725 CB HIS A 47 3.386 -6.786 -7.305 1.00 0.00 C ATOM 726 CG HIS A 47 2.147 -7.623 -7.213 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.674 -8.384 -8.262 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.284 -7.818 -6.189 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.573 -9.009 -7.886 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.315 -8.683 -6.633 1.00 0.00 N ATOM 0 H HIS A 47 4.755 -4.745 -6.373 1.00 0.00 H new ATOM 0 HA HIS A 47 2.845 -5.150 -8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.010 -7.163 -8.116 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.959 -6.897 -6.384 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.107 -8.453 -9.183 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.346 -7.376 -5.206 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.016 -9.674 -8.500 1.00 0.00 H new ATOM 739 N PHE A 48 0.848 -4.435 -7.333 1.00 0.00 N ATOM 740 CA PHE A 48 -0.343 -3.977 -6.627 1.00 0.00 C ATOM 741 C PHE A 48 -1.140 -5.159 -6.082 1.00 0.00 C ATOM 742 O PHE A 48 -1.663 -5.973 -6.843 1.00 0.00 O ATOM 743 CB PHE A 48 -1.223 -3.140 -7.558 1.00 0.00 C ATOM 744 CG PHE A 48 -0.683 -1.762 -7.814 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.630 -1.582 -8.217 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.489 -0.647 -7.652 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.130 -0.316 -8.454 1.00 0.00 C ATOM 748 CE2 PHE A 48 -0.995 0.622 -7.888 1.00 0.00 C ATOM 749 CZ PHE A 48 0.317 0.788 -8.288 1.00 0.00 C ATOM 0 H PHE A 48 0.773 -4.406 -8.350 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.023 -3.359 -5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.331 -3.662 -8.509 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.220 -3.056 -7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.271 -2.442 -8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.515 -0.771 -7.338 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.155 -0.190 -8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.634 1.483 -7.760 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.706 1.779 -8.470 1.00 0.00 H new ATOM 759 N ASP A 49 -1.228 -5.246 -4.759 1.00 0.00 N ATOM 760 CA ASP A 49 -1.961 -6.327 -4.111 1.00 0.00 C ATOM 761 C ASP A 49 -3.351 -6.482 -4.719 1.00 0.00 C ATOM 762 O ASP A 49 -4.122 -5.525 -4.783 1.00 0.00 O ATOM 763 CB ASP A 49 -2.075 -6.065 -2.608 1.00 0.00 C ATOM 764 CG ASP A 49 -2.232 -7.343 -1.808 1.00 0.00 C ATOM 765 OD1 ASP A 49 -3.111 -8.157 -2.159 1.00 0.00 O ATOM 766 OD2 ASP A 49 -1.477 -7.528 -0.831 1.00 0.00 O ATOM 0 H ASP A 49 -0.801 -4.581 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.409 -7.253 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.187 -5.533 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.929 -5.414 -2.419 1.00 0.00 H new ATOM 771 N GLY A 50 -3.664 -7.694 -5.167 1.00 0.00 N ATOM 772 CA GLY A 50 -4.961 -7.952 -5.765 1.00 0.00 C ATOM 773 C GLY A 50 -4.941 -7.811 -7.274 1.00 0.00 C ATOM 774 O GLY A 50 -5.482 -8.654 -7.990 1.00 0.00 O ATOM 0 H GLY A 50 -3.043 -8.502 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.286 -8.959 -5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.694 -7.261 -5.348 1.00 0.00 H new ATOM 778 N TRP A 51 -4.317 -6.743 -7.759 1.00 0.00 N ATOM 779 CA TRP A 51 -4.231 -6.494 -9.193 1.00 0.00 C ATOM 780 C TRP A 51 -3.520 -7.641 -9.903 1.00 0.00 C ATOM 781 O TRP A 51 -2.743 -8.374 -9.293 1.00 0.00 O ATOM 782 CB TRP A 51 -3.497 -5.179 -9.460 1.00 0.00 C ATOM 783 CG TRP A 51 -4.241 -3.974 -8.970 1.00 0.00 C ATOM 784 CD1 TRP A 51 -5.014 -3.888 -7.848 1.00 0.00 C ATOM 785 CD2 TRP A 51 -4.282 -2.683 -9.588 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.535 -2.622 -7.731 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.100 -1.863 -8.786 1.00 0.00 C ATOM 788 CE3 TRP A 51 -3.707 -2.139 -10.740 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -5.355 -0.531 -9.101 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -3.962 -0.817 -11.051 1.00 0.00 C ATOM 791 CH2 TRP A 51 -4.780 -0.025 -10.234 1.00 0.00 C ATOM 0 H TRP A 51 -3.863 -6.036 -7.180 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.245 -6.422 -9.586 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.519 -5.213 -8.980 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.323 -5.079 -10.531 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -5.190 -4.697 -7.154 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.146 -2.299 -6.981 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.075 -2.741 -11.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.985 0.081 -8.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.523 -0.387 -11.939 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.960 1.005 -10.504 1.00 0.00 H new ATOM 841 N TYR A 55 -0.463 -5.897 -14.687 1.00 0.00 N ATOM 842 CA TYR A 55 -0.413 -4.496 -14.284 1.00 0.00 C ATOM 843 C TYR A 55 0.987 -4.114 -13.812 1.00 0.00 C ATOM 844 O TYR A 55 1.519 -3.071 -14.191 1.00 0.00 O ATOM 845 CB TYR A 55 -1.429 -4.228 -13.172 1.00 0.00 C ATOM 846 CG TYR A 55 -2.862 -4.205 -13.653 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.625 -5.366 -13.680 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.453 -3.023 -14.081 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.934 -5.350 -14.120 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.762 -2.997 -14.521 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.498 -4.163 -14.539 1.00 0.00 C ATOM 852 OH TYR A 55 -6.803 -4.143 -14.977 1.00 0.00 O ATOM 0 HA TYR A 55 -0.663 -3.885 -15.151 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.325 -4.994 -12.404 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.197 -3.272 -12.702 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.187 -6.297 -13.351 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.879 -2.108 -14.070 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.513 -6.262 -14.136 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.206 -2.069 -14.849 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.047 -3.230 -15.235 1.00 0.00 H new ATOM 862 N ASP A 56 1.578 -4.968 -12.984 1.00 0.00 N ATOM 863 CA ASP A 56 2.917 -4.723 -12.461 1.00 0.00 C ATOM 864 C ASP A 56 3.799 -4.060 -13.514 1.00 0.00 C ATOM 865 O ASP A 56 3.654 -4.315 -14.710 1.00 0.00 O ATOM 866 CB ASP A 56 3.554 -6.033 -11.996 1.00 0.00 C ATOM 867 CG ASP A 56 2.628 -6.845 -11.112 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.516 -6.361 -10.813 1.00 0.00 O ATOM 869 OD2 ASP A 56 3.015 -7.966 -10.720 1.00 0.00 O ATOM 0 H ASP A 56 1.151 -5.836 -12.660 1.00 0.00 H new ATOM 0 HA ASP A 56 2.829 -4.048 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.834 -6.627 -12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.472 -5.814 -11.451 1.00 0.00 H new ATOM 874 N TYR A 57 4.712 -3.208 -13.063 1.00 0.00 N ATOM 875 CA TYR A 57 5.616 -2.505 -13.966 1.00 0.00 C ATOM 876 C TYR A 57 6.885 -2.072 -13.240 1.00 0.00 C ATOM 877 O TYR A 57 6.852 -1.736 -12.056 1.00 0.00 O ATOM 878 CB TYR A 57 4.919 -1.285 -14.571 1.00 0.00 C ATOM 879 CG TYR A 57 4.154 -0.461 -13.559 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.820 0.261 -12.577 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.766 -0.405 -13.587 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.125 1.014 -11.650 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.063 0.347 -12.665 1.00 0.00 C ATOM 884 CZ TYR A 57 2.747 1.054 -11.698 1.00 0.00 C ATOM 885 OH TYR A 57 2.052 1.804 -10.778 1.00 0.00 O ATOM 0 H TYR A 57 4.846 -2.987 -12.076 1.00 0.00 H new ATOM 0 HA TYR A 57 5.894 -3.191 -14.766 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.665 -0.653 -15.053 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.233 -1.618 -15.349 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.899 0.233 -12.537 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.227 -0.958 -14.342 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.658 1.568 -10.892 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.984 0.381 -12.701 1.00 0.00 H new ATOM 0 HH TYR A 57 1.690 1.216 -10.083 1.00 0.00 H new ATOM 895 N TRP A 58 8.002 -2.082 -13.958 1.00 0.00 N ATOM 896 CA TRP A 58 9.284 -1.689 -13.383 1.00 0.00 C ATOM 897 C TRP A 58 9.345 -0.181 -13.168 1.00 0.00 C ATOM 898 O TRP A 58 9.496 0.585 -14.121 1.00 0.00 O ATOM 899 CB TRP A 58 10.431 -2.135 -14.291 1.00 0.00 C ATOM 900 CG TRP A 58 10.875 -3.544 -14.039 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.683 -4.622 -14.857 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.582 -4.029 -12.892 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.229 -5.747 -14.287 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.787 -5.409 -13.082 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.063 -3.430 -11.725 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.451 -6.198 -12.146 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.722 -4.215 -10.797 1.00 0.00 C ATOM 908 CH2 TRP A 58 12.912 -5.586 -11.012 1.00 0.00 C ATOM 0 H TRP A 58 8.046 -2.358 -14.939 1.00 0.00 H new ATOM 0 HA TRP A 58 9.385 -2.179 -12.415 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.119 -2.041 -15.331 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.278 -1.464 -14.150 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.177 -4.594 -15.811 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.220 -6.682 -14.695 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.923 -2.373 -11.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.597 -7.256 -12.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.097 -3.763 -9.890 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.432 -6.171 -10.268 1.00 0.00 H new ATOM 919 N ILE A 59 9.228 0.239 -11.913 1.00 0.00 N ATOM 920 CA ILE A 59 9.271 1.656 -11.575 1.00 0.00 C ATOM 921 C ILE A 59 10.583 2.017 -10.885 1.00 0.00 C ATOM 922 O ILE A 59 11.110 1.241 -10.088 1.00 0.00 O ATOM 923 CB ILE A 59 8.097 2.054 -10.662 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.941 3.575 -10.628 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.310 1.507 -9.258 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.572 4.032 -10.172 1.00 0.00 C ATOM 0 H ILE A 59 9.103 -0.382 -11.113 1.00 0.00 H new ATOM 0 HA ILE A 59 9.193 2.206 -12.513 1.00 0.00 H new ATOM 0 HB ILE A 59 7.180 1.623 -11.065 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.696 3.995 -9.963 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.136 3.975 -11.623 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.472 1.796 -8.624 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.377 0.420 -9.297 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.234 1.913 -8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.533 5.121 -10.172 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.813 3.642 -10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.382 3.662 -9.164 1.00 0.00 H new ATOM 938 N ASP A 60 11.103 3.199 -11.196 1.00 0.00 N ATOM 939 CA ASP A 60 12.351 3.664 -10.604 1.00 0.00 C ATOM 940 C ASP A 60 12.191 3.887 -9.103 1.00 0.00 C ATOM 941 O ASP A 60 11.258 4.557 -8.661 1.00 0.00 O ATOM 942 CB ASP A 60 12.809 4.959 -11.278 1.00 0.00 C ATOM 943 CG ASP A 60 13.281 4.734 -12.701 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.435 4.764 -13.618 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.498 4.529 -12.897 1.00 0.00 O ATOM 0 H ASP A 60 10.679 3.852 -11.855 1.00 0.00 H new ATOM 0 HA ASP A 60 13.107 2.895 -10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.987 5.675 -11.280 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.617 5.402 -10.696 1.00 0.00 H new ATOM 950 N ALA A 61 13.106 3.319 -8.325 1.00 0.00 N ATOM 951 CA ALA A 61 13.067 3.456 -6.874 1.00 0.00 C ATOM 952 C ALA A 61 13.187 4.918 -6.457 1.00 0.00 C ATOM 953 O ALA A 61 12.698 5.314 -5.399 1.00 0.00 O ATOM 954 CB ALA A 61 14.175 2.631 -6.236 1.00 0.00 C ATOM 0 H ALA A 61 13.884 2.759 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 61 12.104 3.083 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.134 2.743 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.044 1.581 -6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.142 2.977 -6.600 1.00 0.00 H new ATOM 960 N ASP A 62 13.840 5.716 -7.295 1.00 0.00 N ATOM 961 CA ASP A 62 14.024 7.135 -7.014 1.00 0.00 C ATOM 962 C ASP A 62 12.977 7.973 -7.741 1.00 0.00 C ATOM 963 O ASP A 62 13.185 9.159 -7.996 1.00 0.00 O ATOM 964 CB ASP A 62 15.428 7.580 -7.425 1.00 0.00 C ATOM 965 CG ASP A 62 15.896 6.913 -8.703 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.261 5.721 -8.650 1.00 0.00 O ATOM 967 OD2 ASP A 62 15.898 7.584 -9.757 1.00 0.00 O ATOM 0 H ASP A 62 14.251 5.404 -8.175 1.00 0.00 H new ATOM 0 HA ASP A 62 13.903 7.287 -5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.439 8.662 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.128 7.351 -6.622 1.00 0.00 H new ATOM 972 N SER A 63 11.853 7.348 -8.074 1.00 0.00 N ATOM 973 CA SER A 63 10.775 8.034 -8.777 1.00 0.00 C ATOM 974 C SER A 63 9.955 8.887 -7.813 1.00 0.00 C ATOM 975 O SER A 63 9.693 8.503 -6.673 1.00 0.00 O ATOM 976 CB SER A 63 9.868 7.021 -9.478 1.00 0.00 C ATOM 977 OG SER A 63 8.976 7.668 -10.369 1.00 0.00 O ATOM 0 H SER A 63 11.665 6.367 -7.868 1.00 0.00 H new ATOM 0 HA SER A 63 11.221 8.689 -9.525 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.476 6.301 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.302 6.460 -8.735 1.00 0.00 H new ATOM 0 HG SER A 63 8.147 7.893 -9.896 1.00 0.00 H new ATOM 983 N PRO A 64 9.539 10.073 -8.282 1.00 0.00 N ATOM 984 CA PRO A 64 8.742 11.006 -7.479 1.00 0.00 C ATOM 985 C PRO A 64 7.326 10.496 -7.234 1.00 0.00 C ATOM 986 O PRO A 64 6.665 10.905 -6.279 1.00 0.00 O ATOM 987 CB PRO A 64 8.713 12.274 -8.335 1.00 0.00 C ATOM 988 CG PRO A 64 8.913 11.795 -9.731 1.00 0.00 C ATOM 989 CD PRO A 64 9.814 10.595 -9.631 1.00 0.00 C ATOM 0 HA PRO A 64 9.166 11.155 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.765 12.801 -8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.499 12.969 -8.039 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.962 11.532 -10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.364 12.571 -10.349 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.588 9.857 -10.401 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.862 10.869 -9.750 1.00 0.00 H new ATOM 997 N ASP A 65 6.867 9.600 -8.100 1.00 0.00 N ATOM 998 CA ASP A 65 5.529 9.032 -7.976 1.00 0.00 C ATOM 999 C ASP A 65 5.474 8.012 -6.844 1.00 0.00 C ATOM 1000 O ASP A 65 4.451 7.866 -6.176 1.00 0.00 O ATOM 1001 CB ASP A 65 5.106 8.376 -9.292 1.00 0.00 C ATOM 1002 CG ASP A 65 5.725 9.051 -10.500 1.00 0.00 C ATOM 1003 OD1 ASP A 65 6.971 9.087 -10.586 1.00 0.00 O ATOM 1004 OD2 ASP A 65 4.965 9.543 -11.360 1.00 0.00 O ATOM 0 H ASP A 65 7.401 9.251 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 65 4.838 9.842 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.394 7.325 -9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.020 8.408 -9.378 1.00 0.00 H new ATOM 1009 N ILE A 66 6.582 7.308 -6.635 1.00 0.00 N ATOM 1010 CA ILE A 66 6.659 6.301 -5.584 1.00 0.00 C ATOM 1011 C ILE A 66 6.522 6.935 -4.204 1.00 0.00 C ATOM 1012 O ILE A 66 7.284 7.833 -3.843 1.00 0.00 O ATOM 1013 CB ILE A 66 7.986 5.521 -5.648 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.966 4.533 -6.817 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.236 4.792 -4.336 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.239 3.728 -6.949 1.00 0.00 C ATOM 0 H ILE A 66 7.438 7.417 -7.179 1.00 0.00 H new ATOM 0 HA ILE A 66 5.832 5.610 -5.748 1.00 0.00 H new ATOM 0 HB ILE A 66 8.799 6.229 -5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.126 3.851 -6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.795 5.082 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.177 4.246 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.288 5.515 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.422 4.092 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.154 3.049 -7.798 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.081 4.402 -7.107 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.401 3.152 -6.038 1.00 0.00 H new ATOM 1028 N HIS A 67 5.546 6.462 -3.435 1.00 0.00 N ATOM 1029 CA HIS A 67 5.310 6.981 -2.093 1.00 0.00 C ATOM 1030 C HIS A 67 5.235 5.845 -1.077 1.00 0.00 C ATOM 1031 O HIS A 67 4.716 4.764 -1.355 1.00 0.00 O ATOM 1032 CB HIS A 67 4.018 7.798 -2.059 1.00 0.00 C ATOM 1033 CG HIS A 67 3.972 8.888 -3.085 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.851 9.950 -3.095 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.146 9.075 -4.141 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.567 10.745 -4.111 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.536 10.236 -4.762 1.00 0.00 N ATOM 0 H HIS A 67 4.906 5.720 -3.719 1.00 0.00 H new ATOM 0 HA HIS A 67 6.146 7.628 -1.828 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.171 7.130 -2.213 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.902 8.237 -1.068 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.332 8.431 -4.439 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.089 11.656 -4.366 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.100 10.640 -5.591 1.00 0.00 H new ATOM 1046 N PRO A 68 5.765 6.094 0.130 1.00 0.00 N ATOM 1047 CA PRO A 68 5.770 5.105 1.212 1.00 0.00 C ATOM 1048 C PRO A 68 4.374 4.848 1.769 1.00 0.00 C ATOM 1049 O PRO A 68 3.474 5.676 1.623 1.00 0.00 O ATOM 1050 CB PRO A 68 6.661 5.748 2.277 1.00 0.00 C ATOM 1051 CG PRO A 68 6.563 7.212 2.019 1.00 0.00 C ATOM 1052 CD PRO A 68 6.399 7.361 0.532 1.00 0.00 C ATOM 0 HA PRO A 68 6.124 4.132 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.319 5.499 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.691 5.400 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.716 7.646 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.457 7.730 2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.776 8.219 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.358 7.506 0.034 1.00 0.00 H new ATOM 1060 N VAL A 69 4.200 3.696 2.409 1.00 0.00 N ATOM 1061 CA VAL A 69 2.914 3.331 2.990 1.00 0.00 C ATOM 1062 C VAL A 69 2.363 4.458 3.857 1.00 0.00 C ATOM 1063 O VAL A 69 1.155 4.562 4.065 1.00 0.00 O ATOM 1064 CB VAL A 69 3.024 2.051 3.840 1.00 0.00 C ATOM 1065 CG1 VAL A 69 1.830 1.925 4.773 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.145 0.827 2.945 1.00 0.00 C ATOM 0 H VAL A 69 4.934 2.999 2.538 1.00 0.00 H new ATOM 0 HA VAL A 69 2.232 3.149 2.159 1.00 0.00 H new ATOM 0 HB VAL A 69 3.925 2.117 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.925 1.015 5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.795 2.788 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.913 1.881 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.222 -0.068 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.264 0.754 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.036 0.917 2.324 1.00 0.00 H new ATOM 1076 N GLY A 70 3.259 5.301 4.362 1.00 0.00 N ATOM 1077 CA GLY A 70 2.843 6.410 5.201 1.00 0.00 C ATOM 1078 C GLY A 70 2.707 7.704 4.425 1.00 0.00 C ATOM 1079 O GLY A 70 3.049 8.775 4.927 1.00 0.00 O ATOM 0 H GLY A 70 4.265 5.236 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.889 6.169 5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.567 6.546 6.004 1.00 0.00 H new ATOM 1083 N TRP A 71 2.207 7.607 3.199 1.00 0.00 N ATOM 1084 CA TRP A 71 2.028 8.780 2.351 1.00 0.00 C ATOM 1085 C TRP A 71 0.614 9.336 2.483 1.00 0.00 C ATOM 1086 O TRP A 71 0.423 10.478 2.902 1.00 0.00 O ATOM 1087 CB TRP A 71 2.317 8.429 0.891 1.00 0.00 C ATOM 1088 CG TRP A 71 2.195 9.600 -0.037 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.198 10.435 -0.438 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.002 10.065 -0.678 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.700 11.392 -1.290 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.356 11.186 -1.453 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.330 9.642 -0.674 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.425 11.888 -2.214 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.253 10.340 -1.429 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.872 11.452 -2.192 1.00 0.00 C ATOM 0 H TRP A 71 1.918 6.728 2.769 1.00 0.00 H new ATOM 0 HA TRP A 71 2.732 9.545 2.679 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.324 8.018 0.816 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.629 7.647 0.570 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.230 10.355 -0.131 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.243 12.135 -1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.633 8.785 -0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.716 12.746 -2.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.286 10.023 -1.431 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.616 11.975 -2.774 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.373 8.523 2.122 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.770 8.935 2.200 1.00 0.00 C ATOM 1109 C CYS A 72 -2.036 9.716 3.482 1.00 0.00 C ATOM 1110 O CYS A 72 -2.968 10.517 3.551 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.688 7.713 2.133 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.542 6.602 3.552 1.00 0.00 S ATOM 0 H CYS A 72 -0.232 7.575 1.773 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.979 9.585 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.721 8.052 2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.466 7.155 1.224 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.814 5.575 3.226 1.00 0.00 H new ATOM 1118 N SER A 73 -1.211 9.477 4.497 1.00 0.00 N ATOM 1119 CA SER A 73 -1.360 10.155 5.779 1.00 0.00 C ATOM 1120 C SER A 73 -0.534 11.437 5.816 1.00 0.00 C ATOM 1121 O SER A 73 -1.072 12.533 5.967 1.00 0.00 O ATOM 1122 CB SER A 73 -0.938 9.229 6.921 1.00 0.00 C ATOM 1123 OG SER A 73 -1.700 8.034 6.918 1.00 0.00 O ATOM 0 H SER A 73 -0.433 8.819 4.456 1.00 0.00 H new ATOM 0 HA SER A 73 -2.411 10.418 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.121 8.989 6.826 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.064 9.742 7.875 1.00 0.00 H new ATOM 0 HG SER A 73 -1.409 7.459 7.656 1.00 0.00 H new ATOM 1129 N LYS A 74 0.780 11.290 5.677 1.00 0.00 N ATOM 1130 CA LYS A 74 1.684 12.434 5.693 1.00 0.00 C ATOM 1131 C LYS A 74 1.157 13.556 4.803 1.00 0.00 C ATOM 1132 O LYS A 74 1.348 14.737 5.096 1.00 0.00 O ATOM 1133 CB LYS A 74 3.080 12.013 5.228 1.00 0.00 C ATOM 1134 CG LYS A 74 3.238 11.991 3.718 1.00 0.00 C ATOM 1135 CD LYS A 74 4.563 11.373 3.305 1.00 0.00 C ATOM 1136 CE LYS A 74 4.969 11.808 1.905 1.00 0.00 C ATOM 1137 NZ LYS A 74 6.025 10.926 1.334 1.00 0.00 N ATOM 0 H LYS A 74 1.242 10.389 5.552 1.00 0.00 H new ATOM 0 HA LYS A 74 1.745 12.804 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.816 12.696 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.301 11.021 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.418 11.427 3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.173 13.007 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.337 11.662 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.486 10.286 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.095 11.797 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.331 12.836 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.049 11.037 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.949 11.189 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.815 9.935 1.571 1.00 0.00 H new ATOM 1151 N THR A 75 0.492 13.179 3.715 1.00 0.00 N ATOM 1152 CA THR A 75 -0.062 14.153 2.783 1.00 0.00 C ATOM 1153 C THR A 75 -1.554 14.355 3.021 1.00 0.00 C ATOM 1154 O THR A 75 -2.144 15.322 2.542 1.00 0.00 O ATOM 1155 CB THR A 75 0.160 13.721 1.321 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.632 12.565 1.027 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.627 13.416 1.063 1.00 0.00 C ATOM 0 H THR A 75 0.324 12.206 3.458 1.00 0.00 H new ATOM 0 HA THR A 75 0.461 15.093 2.960 1.00 0.00 H new ATOM 0 HB THR A 75 -0.142 14.543 0.672 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.279 12.122 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.758 13.113 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.224 14.307 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.952 12.609 1.720 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.160 13.434 3.765 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.578 13.530 4.054 1.00 0.00 C ATOM 1167 C GLY A 76 -4.438 13.276 2.832 1.00 0.00 C ATOM 1168 O GLY A 76 -5.573 13.748 2.753 1.00 0.00 O ATOM 0 H GLY A 76 -1.694 12.624 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.836 12.811 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.799 14.521 4.450 1.00 0.00 H new ATOM 1172 N HIS A 77 -3.896 12.531 1.874 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.621 12.216 0.648 1.00 0.00 C ATOM 1174 C HIS A 77 -5.389 10.906 0.792 1.00 0.00 C ATOM 1175 O HIS A 77 -4.999 10.008 1.539 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.653 12.126 -0.533 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.437 13.434 -1.230 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -4.469 14.276 -1.588 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -2.298 14.044 -1.635 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.974 15.346 -2.184 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -2.659 15.230 -2.224 1.00 0.00 N ATOM 0 H HIS A 77 -2.958 12.134 1.923 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.336 13.017 0.462 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.694 11.750 -0.178 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.035 11.400 -1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.293 13.667 -1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.547 16.175 -2.573 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.016 15.911 -2.627 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.507 10.791 0.060 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.353 9.594 0.090 1.00 0.00 C ATOM 1192 C PRO A 78 -6.683 8.394 -0.569 1.00 0.00 C ATOM 1193 O PRO A 78 -6.002 8.531 -1.587 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.593 10.017 -0.703 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.113 11.099 -1.608 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.032 11.821 -0.852 1.00 0.00 C ATOM 0 HA PRO A 78 -7.570 9.273 1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.005 9.181 -1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.383 10.375 -0.042 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.728 10.686 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.925 11.777 -1.871 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.258 12.198 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.427 12.678 -0.306 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.879 7.218 0.017 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.293 5.992 -0.514 1.00 0.00 C ATOM 1206 C LEU A 79 -7.379 5.017 -0.959 1.00 0.00 C ATOM 1207 O LEU A 79 -8.508 5.069 -0.474 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.400 5.332 0.538 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.497 4.203 0.040 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.340 4.764 -0.773 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.979 3.379 1.210 1.00 0.00 C ATOM 0 H LEU A 79 -7.439 7.087 0.860 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.688 6.255 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.772 6.102 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.037 4.938 1.330 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.085 3.551 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.708 3.946 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.730 5.310 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.752 5.439 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.338 2.580 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.407 4.020 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.820 2.946 1.751 1.00 0.00 H new ATOM 1223 N GLN A 80 -7.027 4.129 -1.883 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.973 3.142 -2.391 1.00 0.00 C ATOM 1225 C GLN A 80 -7.538 1.729 -2.016 1.00 0.00 C ATOM 1226 O GLN A 80 -6.384 1.340 -2.195 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.100 3.262 -3.911 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.810 4.528 -4.363 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.157 4.714 -3.692 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -11.039 3.861 -3.798 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.323 5.832 -2.996 1.00 0.00 N ATOM 0 H GLN A 80 -6.095 4.073 -2.295 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.944 3.337 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.104 3.236 -4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.641 2.396 -4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.179 5.390 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.948 4.496 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.565 6.512 -2.935 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.208 6.011 -2.522 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.483 0.940 -1.483 1.00 0.00 N ATOM 1241 CA PRO A 81 -8.222 -0.442 -1.072 1.00 0.00 C ATOM 1242 C PRO A 81 -7.984 -1.366 -2.261 1.00 0.00 C ATOM 1243 O PRO A 81 -8.524 -1.167 -3.350 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.501 -0.840 -0.333 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.559 0.039 -0.905 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.880 1.338 -1.241 1.00 0.00 C ATOM 0 HA PRO A 81 -7.320 -0.523 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.736 -1.893 -0.487 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.400 -0.690 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.002 -0.411 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.367 0.194 -0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.322 1.807 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.958 2.055 -0.424 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.158 -2.401 -2.052 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.831 -3.377 -3.096 1.00 0.00 C ATOM 1256 C PRO A 82 -8.017 -4.268 -3.448 1.00 0.00 C ATOM 1257 O PRO A 82 -9.155 -3.982 -3.073 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.707 -4.205 -2.468 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.918 -4.077 -0.999 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.479 -2.700 -0.780 1.00 0.00 C ATOM 0 HA PRO A 82 -6.551 -2.894 -4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.757 -5.246 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.727 -3.829 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.605 -4.841 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.981 -4.207 -0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.173 -2.678 0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.693 -1.976 -0.564 1.00 0.00 H new