USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 774 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 65 TYR OH : rot -63:sc= 1.34 USER MOD Set 1.2: A 147 ASN : amide:sc= -1.19 K(o=0.14,f=-4.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= -0.457 (180deg=-2.29!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00457 X(o=-0.0046,f=-0.095) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -45:sc= 0.221 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 59 TYR OH : rot -165:sc= 1.26 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.074 K(o=-0.074,f=-5.1!) USER MOD Single : A 73 SER OG : rot 26:sc= 0.591 USER MOD Single : A 76 SER OG : rot -70:sc= 0.547 USER MOD Single : A 80 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 82 THR OG1 : rot 145:sc= -0.0144 USER MOD Single : A 84 GLN : amide:sc= -0.0233 K(o=-0.023,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -170:sc= -2.3! USER MOD Single : A 92 SER OG : rot 180:sc=0.000155 USER MOD Single : A 99 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.5!) USER MOD Single : A 102 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.3!) USER MOD Single : A 105 MET CE :methyl -139:sc= -1.39 (180deg=-5.26!) USER MOD Single : A 106 GLN : amide:sc= -2.08! C(o=-2.1!,f=-3.1!) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 143 CYS SG : rot -50:sc= -1.39 USER MOD Single : A 145 ASN : amide:sc= -0.548 K(o=-0.55,f=0.025) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 10.946 -5.851 -3.304 1.00 0.00 N ATOM 235 CA THR A 19 9.807 -5.854 -4.213 1.00 0.00 C ATOM 236 C THR A 19 8.591 -6.511 -3.569 1.00 0.00 C ATOM 237 O THR A 19 7.563 -5.867 -3.359 1.00 0.00 O ATOM 238 CB THR A 19 10.138 -6.589 -5.526 1.00 0.00 C ATOM 239 OG1 THR A 19 8.989 -7.309 -5.987 1.00 0.00 O ATOM 240 CG2 THR A 19 11.300 -7.551 -5.330 1.00 0.00 C ATOM 0 HA THR A 19 9.578 -4.812 -4.436 1.00 0.00 H new ATOM 0 HB THR A 19 10.424 -5.846 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.207 -7.772 -6.823 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.515 -8.058 -6.271 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.181 -6.996 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.038 -8.289 -4.572 1.00 0.00 H new ATOM 248 N LYS A 20 8.715 -7.796 -3.257 1.00 0.00 N ATOM 249 CA LYS A 20 7.626 -8.541 -2.635 1.00 0.00 C ATOM 250 C LYS A 20 7.332 -8.007 -1.236 1.00 0.00 C ATOM 251 O LYS A 20 8.151 -7.303 -0.645 1.00 0.00 O ATOM 252 CB LYS A 20 7.976 -10.029 -2.561 1.00 0.00 C ATOM 253 CG LYS A 20 8.306 -10.644 -3.910 1.00 0.00 C ATOM 254 CD LYS A 20 7.900 -12.107 -3.970 1.00 0.00 C ATOM 255 CE LYS A 20 8.984 -13.010 -3.400 1.00 0.00 C ATOM 256 NZ LYS A 20 8.586 -14.444 -3.436 1.00 0.00 N ATOM 0 H LYS A 20 9.559 -8.344 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 20 6.734 -8.414 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.827 -10.161 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.138 -10.569 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.795 -10.091 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.376 -10.554 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.974 -12.252 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.698 -12.387 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.905 -12.874 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.197 -12.718 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.351 -15.027 -3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.721 -14.578 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.408 -14.730 -4.420 1.00 0.00 H new ATOM 270 N PHE A 21 6.159 -8.348 -0.713 1.00 0.00 N ATOM 271 CA PHE A 21 5.757 -7.903 0.617 1.00 0.00 C ATOM 272 C PHE A 21 4.599 -8.745 1.144 1.00 0.00 C ATOM 273 O PHE A 21 3.554 -8.856 0.503 1.00 0.00 O ATOM 274 CB PHE A 21 5.357 -6.427 0.584 1.00 0.00 C ATOM 275 CG PHE A 21 6.511 -5.498 0.341 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.331 -5.103 1.386 1.00 0.00 C ATOM 277 CD2 PHE A 21 6.777 -5.019 -0.931 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.395 -4.248 1.166 1.00 0.00 C ATOM 279 CE2 PHE A 21 7.839 -4.164 -1.158 1.00 0.00 C ATOM 280 CZ PHE A 21 8.649 -3.777 -0.107 1.00 0.00 C ATOM 0 H PHE A 21 5.470 -8.931 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 21 6.607 -8.026 1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.611 -6.279 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.884 -6.166 1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.137 -5.467 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.147 -5.317 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.027 -3.949 1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.036 -3.799 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.479 -3.108 -0.281 1.00 0.00 H new ATOM 290 N LYS A 22 4.792 -9.336 2.318 1.00 0.00 N ATOM 291 CA LYS A 22 3.765 -10.168 2.935 1.00 0.00 C ATOM 292 C LYS A 22 2.668 -9.307 3.555 1.00 0.00 C ATOM 293 O LYS A 22 2.846 -8.738 4.632 1.00 0.00 O ATOM 294 CB LYS A 22 4.385 -11.070 4.004 1.00 0.00 C ATOM 295 CG LYS A 22 4.853 -12.413 3.470 1.00 0.00 C ATOM 296 CD LYS A 22 5.894 -12.246 2.376 1.00 0.00 C ATOM 297 CE LYS A 22 6.182 -13.564 1.674 1.00 0.00 C ATOM 298 NZ LYS A 22 4.933 -14.241 1.229 1.00 0.00 N ATOM 0 H LYS A 22 5.651 -9.254 2.862 1.00 0.00 H new ATOM 0 HA LYS A 22 3.320 -10.789 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.231 -10.554 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.654 -11.238 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.272 -13.004 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.000 -12.968 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.544 -11.514 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.815 -11.853 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.824 -13.383 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.731 -14.222 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.082 -14.662 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.683 -14.989 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.161 -13.546 1.179 1.00 0.00 H new ATOM 312 N VAL A 23 1.534 -9.218 2.868 1.00 0.00 N ATOM 313 CA VAL A 23 0.407 -8.430 3.352 1.00 0.00 C ATOM 314 C VAL A 23 -0.812 -9.310 3.605 1.00 0.00 C ATOM 315 O VAL A 23 -0.853 -10.468 3.188 1.00 0.00 O ATOM 316 CB VAL A 23 0.027 -7.321 2.353 1.00 0.00 C ATOM 317 CG1 VAL A 23 1.182 -6.348 2.170 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.388 -7.925 1.020 1.00 0.00 C ATOM 0 H VAL A 23 1.371 -9.682 1.974 1.00 0.00 H new ATOM 0 HA VAL A 23 0.722 -7.972 4.290 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.822 -6.768 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.895 -5.572 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.428 -5.891 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.052 -6.883 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.653 -7.127 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.440 -8.503 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.248 -8.578 1.168 1.00 0.00 H new ATOM 328 N THR A 24 -1.805 -8.754 4.291 1.00 0.00 N ATOM 329 CA THR A 24 -3.025 -9.488 4.601 1.00 0.00 C ATOM 330 C THR A 24 -4.256 -8.605 4.428 1.00 0.00 C ATOM 331 O THR A 24 -4.504 -7.706 5.230 1.00 0.00 O ATOM 332 CB THR A 24 -3.000 -10.038 6.039 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.869 -10.898 6.215 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.278 -10.804 6.348 1.00 0.00 C ATOM 0 H THR A 24 -1.788 -7.797 4.643 1.00 0.00 H new ATOM 0 HA THR A 24 -3.078 -10.323 3.902 1.00 0.00 H new ATOM 0 HB THR A 24 -2.925 -9.195 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.859 -11.242 7.132 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.237 -11.183 7.369 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.135 -10.139 6.242 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.378 -11.639 5.655 1.00 0.00 H new ATOM 342 N ASN A 25 -5.025 -8.870 3.377 1.00 0.00 N ATOM 343 CA ASN A 25 -6.232 -8.099 3.099 1.00 0.00 C ATOM 344 C ASN A 25 -7.180 -8.124 4.294 1.00 0.00 C ATOM 345 O ASN A 25 -7.405 -9.171 4.901 1.00 0.00 O ATOM 346 CB ASN A 25 -6.941 -8.650 1.860 1.00 0.00 C ATOM 347 CG ASN A 25 -8.115 -7.790 1.436 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.253 -8.258 1.378 1.00 0.00 O ATOM 349 ND2 ASN A 25 -7.844 -6.525 1.136 1.00 0.00 N ATOM 0 H ASN A 25 -4.834 -9.612 2.704 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.938 -7.066 2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.229 -8.719 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.291 -9.662 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.594 -5.898 0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.886 -6.180 1.198 1.00 0.00 H new ATOM 356 N VAL A 26 -7.735 -6.962 4.627 1.00 0.00 N ATOM 357 CA VAL A 26 -8.660 -6.850 5.748 1.00 0.00 C ATOM 358 C VAL A 26 -9.898 -6.049 5.361 1.00 0.00 C ATOM 359 O VAL A 26 -9.991 -5.529 4.249 1.00 0.00 O ATOM 360 CB VAL A 26 -7.991 -6.184 6.964 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.743 -6.951 7.375 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.656 -4.732 6.659 1.00 0.00 C ATOM 0 H VAL A 26 -7.560 -6.085 4.136 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.956 -7.864 6.016 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.693 -6.205 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.284 -6.465 8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.014 -7.974 7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.035 -6.965 6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.184 -4.277 7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.973 -4.687 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.571 -4.190 6.418 1.00 0.00 H new ATOM 372 N ASP A 27 -10.847 -5.953 6.286 1.00 0.00 N ATOM 373 CA ASP A 27 -12.080 -5.213 6.042 1.00 0.00 C ATOM 374 C ASP A 27 -12.086 -3.898 6.815 1.00 0.00 C ATOM 375 O ASP A 27 -11.121 -3.566 7.503 1.00 0.00 O ATOM 376 CB ASP A 27 -13.293 -6.057 6.437 1.00 0.00 C ATOM 377 CG ASP A 27 -13.690 -5.858 7.886 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.931 -6.295 8.775 1.00 0.00 O ATOM 379 OD2 ASP A 27 -14.762 -5.264 8.131 1.00 0.00 O ATOM 0 H ASP A 27 -10.786 -6.378 7.211 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.135 -4.988 4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.135 -5.801 5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.070 -7.110 6.266 1.00 0.00 H new ATOM 384 N ASP A 28 -13.180 -3.154 6.697 1.00 0.00 N ATOM 385 CA ASP A 28 -13.313 -1.875 7.385 1.00 0.00 C ATOM 386 C ASP A 28 -12.980 -2.018 8.867 1.00 0.00 C ATOM 387 O ASP A 28 -12.387 -1.122 9.468 1.00 0.00 O ATOM 388 CB ASP A 28 -14.731 -1.327 7.218 1.00 0.00 C ATOM 389 CG ASP A 28 -15.768 -2.182 7.919 1.00 0.00 C ATOM 390 OD1 ASP A 28 -16.181 -3.208 7.339 1.00 0.00 O ATOM 391 OD2 ASP A 28 -16.166 -1.826 9.048 1.00 0.00 O ATOM 0 H ASP A 28 -13.988 -3.414 6.131 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.607 -1.175 6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.774 -0.312 7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.971 -1.267 6.157 1.00 0.00 H new ATOM 396 N GLU A 29 -13.366 -3.149 9.449 1.00 0.00 N ATOM 397 CA GLU A 29 -13.110 -3.407 10.861 1.00 0.00 C ATOM 398 C GLU A 29 -11.651 -3.793 11.087 1.00 0.00 C ATOM 399 O GLU A 29 -10.995 -3.280 11.993 1.00 0.00 O ATOM 400 CB GLU A 29 -14.029 -4.517 11.374 1.00 0.00 C ATOM 401 CG GLU A 29 -15.451 -4.055 11.642 1.00 0.00 C ATOM 402 CD GLU A 29 -16.222 -5.021 12.521 1.00 0.00 C ATOM 403 OE1 GLU A 29 -15.631 -5.542 13.490 1.00 0.00 O ATOM 404 OE2 GLU A 29 -17.416 -5.256 12.239 1.00 0.00 O ATOM 0 H GLU A 29 -13.857 -3.901 8.965 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.315 -2.491 11.415 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.050 -5.326 10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.610 -4.928 12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.427 -3.075 12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.975 -3.935 10.694 1.00 0.00 H new ATOM 411 N GLY A 30 -11.150 -4.702 10.256 1.00 0.00 N ATOM 412 CA GLY A 30 -9.773 -5.143 10.382 1.00 0.00 C ATOM 413 C GLY A 30 -9.656 -6.648 10.523 1.00 0.00 C ATOM 414 O GLY A 30 -8.692 -7.152 11.098 1.00 0.00 O ATOM 0 H GLY A 30 -11.673 -5.141 9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.209 -4.818 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.319 -4.664 11.249 1.00 0.00 H new ATOM 418 N VAL A 31 -10.643 -7.368 9.998 1.00 0.00 N ATOM 419 CA VAL A 31 -10.647 -8.824 10.068 1.00 0.00 C ATOM 420 C VAL A 31 -9.930 -9.434 8.869 1.00 0.00 C ATOM 421 O VAL A 31 -10.184 -9.059 7.725 1.00 0.00 O ATOM 422 CB VAL A 31 -12.083 -9.379 10.130 1.00 0.00 C ATOM 423 CG1 VAL A 31 -12.065 -10.890 10.298 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.861 -8.718 11.258 1.00 0.00 C ATOM 0 H VAL A 31 -11.450 -6.966 9.520 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.119 -9.098 10.981 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.584 -9.148 9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.088 -11.264 10.340 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.547 -11.344 9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.547 -11.147 11.222 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.873 -9.122 11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.364 -8.916 12.208 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.904 -7.642 11.088 1.00 0.00 H new ATOM 434 N GLU A 32 -9.033 -10.378 9.140 1.00 0.00 N ATOM 435 CA GLU A 32 -8.279 -11.040 8.082 1.00 0.00 C ATOM 436 C GLU A 32 -9.217 -11.653 7.047 1.00 0.00 C ATOM 437 O GLU A 32 -10.048 -12.502 7.371 1.00 0.00 O ATOM 438 CB GLU A 32 -7.375 -12.124 8.672 1.00 0.00 C ATOM 439 CG GLU A 32 -6.475 -11.624 9.790 1.00 0.00 C ATOM 440 CD GLU A 32 -6.130 -12.710 10.791 1.00 0.00 C ATOM 441 OE1 GLU A 32 -5.928 -13.866 10.365 1.00 0.00 O ATOM 442 OE2 GLU A 32 -6.063 -12.403 12.000 1.00 0.00 O ATOM 0 H GLU A 32 -8.811 -10.701 10.082 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.661 -10.290 7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.996 -12.936 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.756 -12.541 7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.556 -11.225 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.968 -10.801 10.308 1.00 0.00 H new ATOM 449 N LEU A 33 -9.078 -11.216 5.800 1.00 0.00 N ATOM 450 CA LEU A 33 -9.913 -11.720 4.715 1.00 0.00 C ATOM 451 C LEU A 33 -9.120 -12.653 3.806 1.00 0.00 C ATOM 452 O LEU A 33 -9.385 -13.853 3.747 1.00 0.00 O ATOM 453 CB LEU A 33 -10.482 -10.558 3.900 1.00 0.00 C ATOM 454 CG LEU A 33 -11.454 -9.634 4.635 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.784 -8.419 3.783 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.722 -10.386 5.011 1.00 0.00 C ATOM 0 H LEU A 33 -8.395 -10.514 5.515 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.736 -12.284 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.650 -9.958 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.991 -10.968 3.028 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.975 -9.289 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.477 -7.773 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.869 -7.868 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.243 -8.743 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.403 -9.714 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.204 -10.761 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.469 -11.223 5.661 1.00 0.00 H new ATOM 468 N GLY A 34 -8.142 -12.094 3.099 1.00 0.00 N ATOM 469 CA GLY A 34 -7.323 -12.890 2.205 1.00 0.00 C ATOM 470 C GLY A 34 -5.882 -12.422 2.166 1.00 0.00 C ATOM 471 O GLY A 34 -5.606 -11.270 1.831 1.00 0.00 O ATOM 0 H GLY A 34 -7.903 -11.103 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.354 -13.933 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.742 -12.848 1.200 1.00 0.00 H new ATOM 475 N SER A 35 -4.962 -13.316 2.510 1.00 0.00 N ATOM 476 CA SER A 35 -3.541 -12.987 2.519 1.00 0.00 C ATOM 477 C SER A 35 -2.921 -13.220 1.145 1.00 0.00 C ATOM 478 O SER A 35 -3.312 -14.136 0.422 1.00 0.00 O ATOM 479 CB SER A 35 -2.808 -13.822 3.570 1.00 0.00 C ATOM 480 OG SER A 35 -3.659 -14.130 4.661 1.00 0.00 O ATOM 0 H SER A 35 -5.175 -14.275 2.786 1.00 0.00 H new ATOM 0 HA SER A 35 -3.440 -11.931 2.770 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.444 -14.744 3.117 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.935 -13.276 3.928 1.00 0.00 H new ATOM 0 HG SER A 35 -3.168 -14.666 5.318 1.00 0.00 H new ATOM 486 N GLY A 36 -1.951 -12.383 0.790 1.00 0.00 N ATOM 487 CA GLY A 36 -1.292 -12.513 -0.496 1.00 0.00 C ATOM 488 C GLY A 36 0.022 -11.759 -0.554 1.00 0.00 C ATOM 489 O GLY A 36 0.358 -11.012 0.365 1.00 0.00 O ATOM 0 H GLY A 36 -1.610 -11.617 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.111 -13.568 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.954 -12.143 -1.279 1.00 0.00 H new ATOM 493 N VAL A 37 0.769 -11.956 -1.636 1.00 0.00 N ATOM 494 CA VAL A 37 2.054 -11.289 -1.809 1.00 0.00 C ATOM 495 C VAL A 37 1.920 -10.064 -2.706 1.00 0.00 C ATOM 496 O VAL A 37 1.530 -10.172 -3.868 1.00 0.00 O ATOM 497 CB VAL A 37 3.103 -12.241 -2.413 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.499 -11.651 -2.280 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.027 -13.608 -1.749 1.00 0.00 C ATOM 0 H VAL A 37 0.506 -12.572 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 37 2.385 -10.977 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 37 2.887 -12.366 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.227 -12.338 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.543 -10.697 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.729 -11.495 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.775 -14.268 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.217 -13.505 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.035 -14.032 -1.902 1.00 0.00 H new ATOM 509 N MET A 38 2.246 -8.898 -2.158 1.00 0.00 N ATOM 510 CA MET A 38 2.163 -7.651 -2.909 1.00 0.00 C ATOM 511 C MET A 38 3.479 -7.359 -3.625 1.00 0.00 C ATOM 512 O MET A 38 4.513 -7.166 -2.986 1.00 0.00 O ATOM 513 CB MET A 38 1.809 -6.491 -1.976 1.00 0.00 C ATOM 514 CG MET A 38 1.438 -5.212 -2.710 1.00 0.00 C ATOM 515 SD MET A 38 0.641 -4.002 -1.638 1.00 0.00 S ATOM 516 CE MET A 38 -1.071 -4.515 -1.762 1.00 0.00 C ATOM 0 H MET A 38 2.570 -8.791 -1.197 1.00 0.00 H new ATOM 0 HA MET A 38 1.378 -7.758 -3.657 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.976 -6.789 -1.339 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.657 -6.291 -1.320 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.337 -4.772 -3.142 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.771 -5.453 -3.538 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.692 -3.860 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.394 -4.456 -2.801 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.170 -5.542 -1.409 1.00 0.00 H new ATOM 526 N GLU A 39 3.431 -7.329 -4.953 1.00 0.00 N ATOM 527 CA GLU A 39 4.620 -7.063 -5.754 1.00 0.00 C ATOM 528 C GLU A 39 4.533 -5.691 -6.417 1.00 0.00 C ATOM 529 O GLU A 39 3.478 -5.296 -6.916 1.00 0.00 O ATOM 530 CB GLU A 39 4.798 -8.147 -6.819 1.00 0.00 C ATOM 531 CG GLU A 39 6.037 -7.957 -7.679 1.00 0.00 C ATOM 532 CD GLU A 39 6.511 -9.251 -8.311 1.00 0.00 C ATOM 533 OE1 GLU A 39 6.410 -10.307 -7.652 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.984 -9.208 -9.466 1.00 0.00 O ATOM 0 H GLU A 39 2.582 -7.485 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 39 5.484 -7.072 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.851 -9.120 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.918 -8.161 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.823 -7.231 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.838 -7.540 -7.069 1.00 0.00 H new ATOM 541 N LEU A 40 5.648 -4.969 -6.418 1.00 0.00 N ATOM 542 CA LEU A 40 5.699 -3.641 -7.020 1.00 0.00 C ATOM 543 C LEU A 40 6.777 -3.572 -8.096 1.00 0.00 C ATOM 544 O LEU A 40 7.964 -3.743 -7.814 1.00 0.00 O ATOM 545 CB LEU A 40 5.964 -2.584 -5.947 1.00 0.00 C ATOM 546 CG LEU A 40 4.728 -1.971 -5.288 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.233 -2.856 -4.154 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.034 -0.570 -4.778 1.00 0.00 C ATOM 0 H LEU A 40 6.529 -5.281 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 40 4.734 -3.443 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.581 -3.032 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.549 -1.780 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 40 3.939 -1.899 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.353 -2.404 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.973 -3.839 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.018 -2.960 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.143 -0.150 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.839 -0.618 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.340 0.062 -5.612 1.00 0.00 H new ATOM 560 N THR A 41 6.358 -3.318 -9.332 1.00 0.00 N ATOM 561 CA THR A 41 7.287 -3.224 -10.450 1.00 0.00 C ATOM 562 C THR A 41 7.270 -1.829 -11.064 1.00 0.00 C ATOM 563 O THR A 41 6.593 -0.931 -10.566 1.00 0.00 O ATOM 564 CB THR A 41 6.956 -4.258 -11.543 1.00 0.00 C ATOM 565 OG1 THR A 41 5.703 -3.936 -12.159 1.00 0.00 O ATOM 566 CG2 THR A 41 6.894 -5.662 -10.960 1.00 0.00 C ATOM 0 H THR A 41 5.380 -3.174 -9.583 1.00 0.00 H new ATOM 0 HA THR A 41 8.281 -3.431 -10.053 1.00 0.00 H new ATOM 0 HB THR A 41 7.747 -4.228 -12.292 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.045 -3.718 -11.467 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.659 -6.374 -11.751 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.858 -5.915 -10.518 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.121 -5.704 -10.193 1.00 0.00 H new ATOM 574 N GLN A 42 8.018 -1.656 -12.149 1.00 0.00 N ATOM 575 CA GLN A 42 8.088 -0.369 -12.831 1.00 0.00 C ATOM 576 C GLN A 42 6.858 -0.148 -13.705 1.00 0.00 C ATOM 577 O GLN A 42 6.447 0.988 -13.940 1.00 0.00 O ATOM 578 CB GLN A 42 9.356 -0.287 -13.683 1.00 0.00 C ATOM 579 CG GLN A 42 9.646 1.109 -14.209 1.00 0.00 C ATOM 580 CD GLN A 42 10.537 1.097 -15.435 1.00 0.00 C ATOM 581 OE1 GLN A 42 11.761 1.017 -15.327 1.00 0.00 O ATOM 582 NE2 GLN A 42 9.927 1.175 -16.612 1.00 0.00 N ATOM 0 H GLN A 42 8.584 -2.390 -12.574 1.00 0.00 H new ATOM 0 HA GLN A 42 8.117 0.414 -12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.205 -0.626 -13.090 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.262 -0.972 -14.526 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.706 1.604 -14.453 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.122 1.697 -13.424 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.910 1.240 -16.656 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.475 1.170 -17.472 1.00 0.00 H new ATOM 591 N SER A 43 6.275 -1.243 -14.185 1.00 0.00 N ATOM 592 CA SER A 43 5.094 -1.169 -15.037 1.00 0.00 C ATOM 593 C SER A 43 3.877 -0.710 -14.240 1.00 0.00 C ATOM 594 O SER A 43 3.421 0.424 -14.382 1.00 0.00 O ATOM 595 CB SER A 43 4.816 -2.530 -15.677 1.00 0.00 C ATOM 596 OG SER A 43 5.848 -2.891 -16.578 1.00 0.00 O ATOM 0 H SER A 43 6.602 -2.191 -13.998 1.00 0.00 H new ATOM 0 HA SER A 43 5.288 -0.439 -15.823 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.726 -3.289 -14.900 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.863 -2.499 -16.205 1.00 0.00 H new ATOM 0 HG SER A 43 5.647 -3.765 -16.972 1.00 0.00 H new ATOM 602 N GLU A 44 3.356 -1.600 -13.402 1.00 0.00 N ATOM 603 CA GLU A 44 2.191 -1.287 -12.583 1.00 0.00 C ATOM 604 C GLU A 44 2.203 -2.095 -11.289 1.00 0.00 C ATOM 605 O GLU A 44 3.100 -2.907 -11.058 1.00 0.00 O ATOM 606 CB GLU A 44 0.903 -1.568 -13.360 1.00 0.00 C ATOM 607 CG GLU A 44 0.664 -3.044 -13.629 1.00 0.00 C ATOM 608 CD GLU A 44 1.745 -3.662 -14.494 1.00 0.00 C ATOM 609 OE1 GLU A 44 1.856 -3.271 -15.675 1.00 0.00 O ATOM 610 OE2 GLU A 44 2.479 -4.537 -13.990 1.00 0.00 O ATOM 0 H GLU A 44 3.722 -2.543 -13.272 1.00 0.00 H new ATOM 0 HA GLU A 44 2.231 -0.227 -12.330 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.057 -1.168 -12.801 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.938 -1.035 -14.310 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.613 -3.579 -12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.302 -3.169 -14.117 1.00 0.00 H new ATOM 617 N LEU A 45 1.201 -1.866 -10.446 1.00 0.00 N ATOM 618 CA LEU A 45 1.095 -2.572 -9.174 1.00 0.00 C ATOM 619 C LEU A 45 0.436 -3.935 -9.360 1.00 0.00 C ATOM 620 O LEU A 45 -0.591 -4.053 -10.028 1.00 0.00 O ATOM 621 CB LEU A 45 0.295 -1.738 -8.171 1.00 0.00 C ATOM 622 CG LEU A 45 0.693 -1.891 -6.703 1.00 0.00 C ATOM 623 CD1 LEU A 45 -0.082 -0.912 -5.835 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.463 -3.320 -6.234 1.00 0.00 C ATOM 0 H LEU A 45 0.451 -1.197 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 45 2.102 -2.727 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.390 -0.687 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.759 -1.999 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 45 1.755 -1.666 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.215 -1.036 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.133 0.107 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.150 -1.105 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.752 -3.410 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.592 -3.573 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.064 -4.002 -6.836 1.00 0.00 H new ATOM 636 N VAL A 46 1.034 -4.962 -8.764 1.00 0.00 N ATOM 637 CA VAL A 46 0.503 -6.316 -8.861 1.00 0.00 C ATOM 638 C VAL A 46 0.367 -6.953 -7.482 1.00 0.00 C ATOM 639 O VAL A 46 1.176 -6.703 -6.588 1.00 0.00 O ATOM 640 CB VAL A 46 1.399 -7.208 -9.740 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.744 -8.561 -9.971 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.702 -6.520 -11.062 1.00 0.00 C ATOM 0 H VAL A 46 1.886 -4.882 -8.209 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.482 -6.238 -9.321 1.00 0.00 H new ATOM 0 HB VAL A 46 2.342 -7.373 -9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.392 -9.177 -10.594 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.584 -9.056 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.214 -8.421 -10.471 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.336 -7.165 -11.671 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.770 -6.323 -11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.217 -5.578 -10.872 1.00 0.00 H new ATOM 652 N LEU A 47 -0.661 -7.778 -7.317 1.00 0.00 N ATOM 653 CA LEU A 47 -0.904 -8.453 -6.047 1.00 0.00 C ATOM 654 C LEU A 47 -1.119 -9.948 -6.257 1.00 0.00 C ATOM 655 O LEU A 47 -2.200 -10.381 -6.657 1.00 0.00 O ATOM 656 CB LEU A 47 -2.122 -7.844 -5.348 1.00 0.00 C ATOM 657 CG LEU A 47 -2.220 -8.083 -3.841 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.670 -8.037 -3.387 1.00 0.00 C ATOM 659 CD2 LEU A 47 -1.584 -9.415 -3.470 1.00 0.00 C ATOM 0 H LEU A 47 -1.340 -7.996 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.025 -8.316 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.118 -6.769 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.022 -8.241 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.676 -7.289 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.720 -8.209 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.093 -7.059 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.238 -8.810 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.663 -9.569 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.100 -10.222 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.533 -9.410 -3.760 1.00 0.00 H new ATOM 671 N HIS A 48 -0.083 -10.734 -5.981 1.00 0.00 N ATOM 672 CA HIS A 48 -0.159 -12.182 -6.137 1.00 0.00 C ATOM 673 C HIS A 48 -1.053 -12.798 -5.065 1.00 0.00 C ATOM 674 O HIS A 48 -0.920 -12.490 -3.880 1.00 0.00 O ATOM 675 CB HIS A 48 1.239 -12.798 -6.068 1.00 0.00 C ATOM 676 CG HIS A 48 2.145 -12.351 -7.173 1.00 0.00 C ATOM 677 ND1 HIS A 48 2.227 -12.998 -8.388 1.00 0.00 N ATOM 678 CD2 HIS A 48 3.012 -11.313 -7.242 1.00 0.00 C ATOM 679 CE1 HIS A 48 3.105 -12.378 -9.156 1.00 0.00 C ATOM 680 NE2 HIS A 48 3.596 -11.352 -8.484 1.00 0.00 N ATOM 0 H HIS A 48 0.819 -10.392 -5.648 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.594 -12.395 -7.114 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.693 -12.542 -5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.151 -13.884 -6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.208 -10.589 -6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.375 -12.662 -10.162 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.295 -10.696 -8.831 1.00 0.00 H new ATOM 689 N LEU A 49 -1.963 -13.668 -5.488 1.00 0.00 N ATOM 690 CA LEU A 49 -2.880 -14.327 -4.564 1.00 0.00 C ATOM 691 C LEU A 49 -2.840 -15.841 -4.745 1.00 0.00 C ATOM 692 O LEU A 49 -3.019 -16.349 -5.852 1.00 0.00 O ATOM 693 CB LEU A 49 -4.305 -13.813 -4.776 1.00 0.00 C ATOM 694 CG LEU A 49 -4.499 -12.302 -4.652 1.00 0.00 C ATOM 695 CD1 LEU A 49 -5.818 -11.879 -5.280 1.00 0.00 C ATOM 696 CD2 LEU A 49 -4.441 -11.875 -3.192 1.00 0.00 C ATOM 0 H LEU A 49 -2.086 -13.934 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.564 -14.093 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.637 -14.122 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.958 -14.303 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.690 -11.806 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.938 -10.800 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.822 -12.150 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.641 -12.383 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.581 -10.796 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.229 -12.380 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.471 -12.143 -2.773 1.00 0.00 H new ATOM 789 N ALA A 54 -5.046 -12.813 -10.299 1.00 0.00 N ATOM 790 CA ALA A 54 -4.071 -11.769 -10.013 1.00 0.00 C ATOM 791 C ALA A 54 -4.615 -10.393 -10.385 1.00 0.00 C ATOM 792 O ALA A 54 -5.006 -10.158 -11.529 1.00 0.00 O ATOM 793 CB ALA A 54 -2.771 -12.043 -10.755 1.00 0.00 C ATOM 0 HA ALA A 54 -3.873 -11.775 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.052 -11.255 -10.532 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.366 -13.004 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.962 -12.067 -11.828 1.00 0.00 H new ATOM 799 N VAL A 55 -4.637 -9.488 -9.413 1.00 0.00 N ATOM 800 CA VAL A 55 -5.132 -8.135 -9.638 1.00 0.00 C ATOM 801 C VAL A 55 -3.990 -7.178 -9.963 1.00 0.00 C ATOM 802 O VAL A 55 -2.864 -7.361 -9.501 1.00 0.00 O ATOM 803 CB VAL A 55 -5.898 -7.606 -8.411 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.349 -6.171 -8.641 1.00 0.00 C ATOM 805 CG2 VAL A 55 -7.085 -8.503 -8.097 1.00 0.00 C ATOM 0 H VAL A 55 -4.318 -9.667 -8.461 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.813 -8.185 -10.488 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.227 -7.617 -7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.888 -5.814 -7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.478 -5.539 -8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.004 -6.131 -9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.615 -8.114 -7.227 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.760 -8.526 -8.953 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.732 -9.513 -7.886 1.00 0.00 H new ATOM 815 N ARG A 56 -4.289 -6.158 -10.760 1.00 0.00 N ATOM 816 CA ARG A 56 -3.287 -5.172 -11.147 1.00 0.00 C ATOM 817 C ARG A 56 -3.841 -3.756 -11.022 1.00 0.00 C ATOM 818 O ARG A 56 -4.981 -3.489 -11.403 1.00 0.00 O ATOM 819 CB ARG A 56 -2.821 -5.424 -12.582 1.00 0.00 C ATOM 820 CG ARG A 56 -1.819 -6.560 -12.706 1.00 0.00 C ATOM 821 CD ARG A 56 -1.896 -7.223 -14.072 1.00 0.00 C ATOM 822 NE ARG A 56 -0.607 -7.772 -14.487 1.00 0.00 N ATOM 823 CZ ARG A 56 -0.435 -8.485 -15.595 1.00 0.00 C ATOM 824 NH1 ARG A 56 -1.463 -8.733 -16.394 1.00 0.00 N ATOM 825 NH2 ARG A 56 0.769 -8.950 -15.905 1.00 0.00 N ATOM 0 H ARG A 56 -5.217 -5.993 -11.150 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.436 -5.271 -10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.689 -5.647 -13.203 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.373 -4.511 -12.975 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.812 -6.178 -12.542 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.009 -7.301 -11.929 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.639 -8.021 -14.047 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.235 -6.495 -14.810 1.00 0.00 H new ATOM 0 HE ARG A 56 0.205 -7.599 -13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.389 -8.376 -16.159 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.328 -9.281 -17.244 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.562 -8.760 -15.293 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.901 -9.497 -16.756 1.00 0.00 H new ATOM 839 N TRP A 57 -3.028 -2.853 -10.486 1.00 0.00 N ATOM 840 CA TRP A 57 -3.437 -1.464 -10.310 1.00 0.00 C ATOM 841 C TRP A 57 -2.391 -0.512 -10.879 1.00 0.00 C ATOM 842 O TRP A 57 -1.321 -0.313 -10.304 1.00 0.00 O ATOM 843 CB TRP A 57 -3.668 -1.162 -8.829 1.00 0.00 C ATOM 844 CG TRP A 57 -4.841 -1.893 -8.249 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.161 -1.666 -8.517 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.800 -2.967 -7.303 1.00 0.00 C ATOM 847 NE1 TRP A 57 -6.943 -2.535 -7.793 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.132 -3.343 -7.042 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.768 -3.648 -6.653 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.456 -4.369 -6.158 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.090 -4.666 -5.776 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.425 -5.020 -5.536 1.00 0.00 C ATOM 0 H TRP A 57 -2.081 -3.058 -10.166 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.370 -1.315 -10.853 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.771 -1.425 -8.268 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.819 -0.090 -8.704 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.535 -0.915 -9.197 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.962 -2.572 -7.812 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.736 -3.383 -6.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.484 -4.641 -5.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.300 -5.198 -5.267 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.644 -5.822 -4.847 1.00 0.00 H new ATOM 863 N PRO A 58 -2.704 0.092 -12.035 1.00 0.00 N ATOM 864 CA PRO A 58 -1.803 1.034 -12.706 1.00 0.00 C ATOM 865 C PRO A 58 -1.666 2.347 -11.944 1.00 0.00 C ATOM 866 O PRO A 58 -2.655 3.039 -11.696 1.00 0.00 O ATOM 867 CB PRO A 58 -2.479 1.268 -14.059 1.00 0.00 C ATOM 868 CG PRO A 58 -3.922 0.987 -13.816 1.00 0.00 C ATOM 869 CD PRO A 58 -3.962 -0.099 -12.776 1.00 0.00 C ATOM 0 HA PRO A 58 -0.788 0.644 -12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.328 2.290 -14.405 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.071 0.608 -14.825 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.440 1.880 -13.468 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.417 0.668 -14.733 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.831 -0.000 -12.125 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.015 -1.089 -13.230 1.00 0.00 H new ATOM 877 N TYR A 59 -0.436 2.686 -11.574 1.00 0.00 N ATOM 878 CA TYR A 59 -0.170 3.916 -10.839 1.00 0.00 C ATOM 879 C TYR A 59 -0.819 5.114 -11.527 1.00 0.00 C ATOM 880 O TYR A 59 -1.492 5.923 -10.887 1.00 0.00 O ATOM 881 CB TYR A 59 1.337 4.143 -10.709 1.00 0.00 C ATOM 882 CG TYR A 59 2.108 2.893 -10.351 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.717 2.094 -9.283 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.229 2.512 -11.078 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.419 0.952 -8.951 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.936 1.370 -10.754 1.00 0.00 C ATOM 887 CZ TYR A 59 3.528 0.594 -9.690 1.00 0.00 C ATOM 888 OH TYR A 59 4.230 -0.543 -9.363 1.00 0.00 O ATOM 0 H TYR A 59 0.393 2.125 -11.771 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.602 3.814 -9.843 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.719 4.539 -11.650 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.517 4.902 -9.948 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.849 2.371 -8.703 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.553 3.119 -11.911 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.102 0.343 -8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.804 1.087 -11.331 1.00 0.00 H new ATOM 0 HH TYR A 59 5.101 -0.530 -9.812 1.00 0.00 H new ATOM 898 N LEU A 60 -0.611 5.220 -12.835 1.00 0.00 N ATOM 899 CA LEU A 60 -1.176 6.317 -13.612 1.00 0.00 C ATOM 900 C LEU A 60 -2.635 6.556 -13.238 1.00 0.00 C ATOM 901 O LEU A 60 -3.117 7.689 -13.272 1.00 0.00 O ATOM 902 CB LEU A 60 -1.063 6.019 -15.108 1.00 0.00 C ATOM 903 CG LEU A 60 -1.447 4.603 -15.541 1.00 0.00 C ATOM 904 CD1 LEU A 60 -2.015 4.611 -16.952 1.00 0.00 C ATOM 905 CD2 LEU A 60 -0.245 3.674 -15.454 1.00 0.00 C ATOM 0 H LEU A 60 -0.056 4.560 -13.379 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.610 7.220 -13.384 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.693 6.726 -15.648 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.035 6.206 -15.419 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.217 4.233 -14.864 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.282 3.595 -17.242 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.903 5.243 -16.983 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.268 5.001 -17.643 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.537 2.671 -15.766 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.547 4.041 -16.107 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.118 3.643 -14.427 1.00 0.00 H new ATOM 917 N CYS A 61 -3.331 5.483 -12.879 1.00 0.00 N ATOM 918 CA CYS A 61 -4.736 5.576 -12.496 1.00 0.00 C ATOM 919 C CYS A 61 -4.875 5.849 -11.002 1.00 0.00 C ATOM 920 O CYS A 61 -5.894 6.372 -10.548 1.00 0.00 O ATOM 921 CB CYS A 61 -5.472 4.287 -12.862 1.00 0.00 C ATOM 922 SG CYS A 61 -5.496 3.929 -14.634 1.00 0.00 S ATOM 0 H CYS A 61 -2.946 4.539 -12.845 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.182 6.408 -13.042 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.003 3.453 -12.340 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.499 4.352 -12.501 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.139 2.819 -14.844 1.00 0.00 H new ATOM 928 N LEU A 62 -3.846 5.490 -10.242 1.00 0.00 N ATOM 929 CA LEU A 62 -3.854 5.695 -8.798 1.00 0.00 C ATOM 930 C LEU A 62 -3.865 7.182 -8.458 1.00 0.00 C ATOM 931 O LEU A 62 -2.823 7.838 -8.469 1.00 0.00 O ATOM 932 CB LEU A 62 -2.636 5.023 -8.161 1.00 0.00 C ATOM 933 CG LEU A 62 -2.710 3.504 -8.009 1.00 0.00 C ATOM 934 CD1 LEU A 62 -1.369 2.946 -7.558 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.807 3.119 -7.027 1.00 0.00 C ATOM 0 H LEU A 62 -2.996 5.056 -10.602 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.762 5.244 -8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.758 5.266 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.480 5.459 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.951 3.073 -8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.441 1.863 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.606 3.190 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.097 3.384 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.845 2.034 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.596 3.562 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.767 3.485 -7.392 1.00 0.00 H new ATOM 947 N ARG A 63 -5.048 7.706 -8.155 1.00 0.00 N ATOM 948 CA ARG A 63 -5.194 9.115 -7.811 1.00 0.00 C ATOM 949 C ARG A 63 -4.330 9.472 -6.605 1.00 0.00 C ATOM 950 O ARG A 63 -3.491 10.371 -6.675 1.00 0.00 O ATOM 951 CB ARG A 63 -6.659 9.441 -7.516 1.00 0.00 C ATOM 952 CG ARG A 63 -6.988 10.920 -7.628 1.00 0.00 C ATOM 953 CD ARG A 63 -7.391 11.295 -9.046 1.00 0.00 C ATOM 954 NE ARG A 63 -7.330 12.737 -9.269 1.00 0.00 N ATOM 955 CZ ARG A 63 -7.547 13.309 -10.448 1.00 0.00 C ATOM 956 NH1 ARG A 63 -7.840 12.564 -11.505 1.00 0.00 N ATOM 957 NH2 ARG A 63 -7.473 14.628 -10.572 1.00 0.00 N ATOM 0 H ARG A 63 -5.919 7.176 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.862 9.708 -8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.293 8.883 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.903 9.098 -6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.798 11.167 -6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.123 11.510 -7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.734 10.790 -9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.403 10.941 -9.241 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.108 13.338 -8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.899 11.550 -11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.006 13.005 -12.410 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.249 15.205 -9.761 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.640 15.065 -11.478 1.00 0.00 H new ATOM 971 N ARG A 64 -4.541 8.764 -5.501 1.00 0.00 N ATOM 972 CA ARG A 64 -3.783 9.008 -4.279 1.00 0.00 C ATOM 973 C ARG A 64 -3.491 7.699 -3.551 1.00 0.00 C ATOM 974 O ARG A 64 -3.948 6.632 -3.962 1.00 0.00 O ATOM 975 CB ARG A 64 -4.552 9.956 -3.358 1.00 0.00 C ATOM 976 CG ARG A 64 -5.967 9.495 -3.052 1.00 0.00 C ATOM 977 CD ARG A 64 -6.776 10.590 -2.374 1.00 0.00 C ATOM 978 NE ARG A 64 -8.102 10.124 -1.977 1.00 0.00 N ATOM 979 CZ ARG A 64 -8.905 10.801 -1.162 1.00 0.00 C ATOM 980 NH1 ARG A 64 -8.518 11.966 -0.662 1.00 0.00 N ATOM 981 NH2 ARG A 64 -10.097 10.311 -0.847 1.00 0.00 N ATOM 0 H ARG A 64 -5.231 8.016 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.835 9.470 -4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.004 10.063 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.592 10.943 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.461 9.196 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.933 8.615 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.239 10.946 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.877 11.438 -3.051 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.430 9.231 -2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.602 12.345 -0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.136 12.483 -0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.397 9.415 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.713 10.831 -0.222 1.00 0.00 H new ATOM 995 N TYR A 65 -2.727 7.789 -2.468 1.00 0.00 N ATOM 996 CA TYR A 65 -2.371 6.613 -1.683 1.00 0.00 C ATOM 997 C TYR A 65 -1.658 7.012 -0.395 1.00 0.00 C ATOM 998 O TYR A 65 -1.024 8.064 -0.324 1.00 0.00 O ATOM 999 CB TYR A 65 -1.481 5.677 -2.503 1.00 0.00 C ATOM 1000 CG TYR A 65 -0.339 6.383 -3.198 1.00 0.00 C ATOM 1001 CD1 TYR A 65 -0.513 6.964 -4.448 1.00 0.00 C ATOM 1002 CD2 TYR A 65 0.915 6.468 -2.606 1.00 0.00 C ATOM 1003 CE1 TYR A 65 0.528 7.610 -5.088 1.00 0.00 C ATOM 1004 CE2 TYR A 65 1.961 7.113 -3.237 1.00 0.00 C ATOM 1005 CZ TYR A 65 1.763 7.682 -4.477 1.00 0.00 C ATOM 1006 OH TYR A 65 2.803 8.323 -5.110 1.00 0.00 O ATOM 0 H TYR A 65 -2.342 8.665 -2.114 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.291 6.091 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.076 4.907 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.092 5.170 -3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.479 6.910 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.075 6.022 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.376 8.055 -6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.929 7.171 -2.761 1.00 0.00 H new ATOM 0 HH TYR A 65 3.019 7.853 -5.942 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.766 6.162 0.621 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.126 6.442 1.894 1.00 0.00 C ATOM 1018 C GLY A 66 -0.627 5.187 2.581 1.00 0.00 C ATOM 1019 O GLY A 66 -0.840 4.077 2.092 1.00 0.00 O ATOM 0 H GLY A 66 -2.285 5.285 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.289 7.122 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.833 6.954 2.548 1.00 0.00 H new ATOM 1023 N TYR A 67 0.040 5.361 3.716 1.00 0.00 N ATOM 1024 CA TYR A 67 0.575 4.233 4.469 1.00 0.00 C ATOM 1025 C TYR A 67 0.768 4.600 5.937 1.00 0.00 C ATOM 1026 O TYR A 67 1.527 5.512 6.266 1.00 0.00 O ATOM 1027 CB TYR A 67 1.905 3.775 3.867 1.00 0.00 C ATOM 1028 CG TYR A 67 3.083 4.626 4.284 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.274 5.893 3.747 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.005 4.163 5.214 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.349 6.674 4.124 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.083 4.937 5.598 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.251 6.192 5.051 1.00 0.00 C ATOM 1034 OH TYR A 67 6.323 6.966 5.430 1.00 0.00 O ATOM 0 H TYR A 67 0.223 6.273 4.135 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.144 3.416 4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.091 2.742 4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.826 3.787 2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.570 6.274 3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.877 3.181 5.644 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.483 7.656 3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.790 4.561 6.323 1.00 0.00 H new ATOM 0 HH TYR A 67 6.860 6.480 6.090 1.00 0.00 H new ATOM 1044 N ASP A 68 0.076 3.883 6.815 1.00 0.00 N ATOM 1045 CA ASP A 68 0.171 4.131 8.249 1.00 0.00 C ATOM 1046 C ASP A 68 1.251 3.258 8.881 1.00 0.00 C ATOM 1047 O ASP A 68 1.898 2.464 8.200 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.176 3.867 8.925 1.00 0.00 C ATOM 1049 CG ASP A 68 -2.069 5.092 8.934 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.546 6.209 8.734 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -3.290 4.935 9.142 1.00 0.00 O ATOM 0 H ASP A 68 -0.557 3.125 6.559 1.00 0.00 H new ATOM 0 HA ASP A 68 0.443 5.177 8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.685 3.053 8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.006 3.537 9.950 1.00 0.00 H new ATOM 1056 N SER A 69 1.440 3.413 10.188 1.00 0.00 N ATOM 1057 CA SER A 69 2.445 2.642 10.911 1.00 0.00 C ATOM 1058 C SER A 69 2.554 1.228 10.348 1.00 0.00 C ATOM 1059 O SER A 69 3.535 0.886 9.689 1.00 0.00 O ATOM 1060 CB SER A 69 2.099 2.585 12.400 1.00 0.00 C ATOM 1061 OG SER A 69 2.294 3.845 13.018 1.00 0.00 O ATOM 0 H SER A 69 0.911 4.065 10.767 1.00 0.00 H new ATOM 0 HA SER A 69 3.407 3.139 10.787 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.062 2.272 12.524 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.719 1.835 12.892 1.00 0.00 H new ATOM 0 HG SER A 69 2.064 3.782 13.969 1.00 0.00 H new ATOM 1067 N ASN A 70 1.540 0.412 10.614 1.00 0.00 N ATOM 1068 CA ASN A 70 1.521 -0.965 10.134 1.00 0.00 C ATOM 1069 C ASN A 70 0.264 -1.239 9.314 1.00 0.00 C ATOM 1070 O ASN A 70 -0.430 -2.232 9.533 1.00 0.00 O ATOM 1071 CB ASN A 70 1.596 -1.938 11.313 1.00 0.00 C ATOM 1072 CG ASN A 70 0.453 -1.750 12.292 1.00 0.00 C ATOM 1073 OD1 ASN A 70 0.055 -0.624 12.589 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -0.081 -2.856 12.797 1.00 0.00 N ATOM 0 H ASN A 70 0.721 0.680 11.159 1.00 0.00 H new ATOM 0 HA ASN A 70 2.390 -1.112 9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.584 -2.961 10.937 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.543 -1.801 11.834 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.854 -2.793 13.460 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.281 -3.769 12.522 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.022 -0.352 8.367 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.195 -0.497 7.512 1.00 0.00 C ATOM 1083 C LEU A 71 -0.980 0.195 6.170 1.00 0.00 C ATOM 1084 O LEU A 71 -0.611 1.369 6.117 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.430 0.081 8.205 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.752 -0.062 7.449 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -4.358 -1.436 7.690 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.724 1.032 7.864 1.00 0.00 C ATOM 0 H LEU A 71 0.542 0.475 8.172 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.352 -1.560 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.536 -0.402 9.177 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.254 1.140 8.393 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.552 0.043 6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.298 -1.520 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.667 -2.204 7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.544 -1.570 8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.659 0.915 7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.919 0.959 8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.292 2.007 7.639 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.214 -0.538 5.087 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.047 0.005 3.744 1.00 0.00 C ATOM 1102 C PHE A 72 -2.393 0.126 3.035 1.00 0.00 C ATOM 1103 O PHE A 72 -3.090 -0.868 2.832 1.00 0.00 O ATOM 1104 CB PHE A 72 -0.104 -0.879 2.927 1.00 0.00 C ATOM 1105 CG PHE A 72 -0.054 -0.517 1.470 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.430 0.717 1.066 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.491 -1.410 0.505 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.475 1.053 -0.274 1.00 0.00 C ATOM 1109 CE2 PHE A 72 -0.448 -1.079 -0.836 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.037 0.154 -1.226 1.00 0.00 C ATOM 0 H PHE A 72 -1.520 -1.511 5.113 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.613 1.001 3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.900 -0.809 3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.418 -1.918 3.024 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.776 1.424 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.870 -2.376 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.853 2.019 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.793 -1.784 -1.578 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.074 0.414 -2.273 1.00 0.00 H new ATOM 1120 N SER A 73 -2.751 1.350 2.662 1.00 0.00 N ATOM 1121 CA SER A 73 -4.014 1.602 1.979 1.00 0.00 C ATOM 1122 C SER A 73 -3.829 2.606 0.846 1.00 0.00 C ATOM 1123 O SER A 73 -3.091 3.583 0.981 1.00 0.00 O ATOM 1124 CB SER A 73 -5.059 2.121 2.970 1.00 0.00 C ATOM 1125 OG SER A 73 -6.371 1.944 2.466 1.00 0.00 O ATOM 0 H SER A 73 -2.184 2.183 2.821 1.00 0.00 H new ATOM 0 HA SER A 73 -4.362 0.661 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.957 1.596 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.882 3.178 3.170 1.00 0.00 H new ATOM 0 HG SER A 73 -6.380 1.196 1.832 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.503 2.358 -0.272 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.412 3.239 -1.431 1.00 0.00 C ATOM 1133 C PHE A 74 -5.762 3.355 -2.133 1.00 0.00 C ATOM 1134 O PHE A 74 -6.590 2.448 -2.061 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.358 2.721 -2.411 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.630 1.329 -2.904 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -3.208 0.227 -2.177 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -4.308 1.122 -4.094 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -3.458 -1.055 -2.628 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -4.561 -0.159 -4.550 1.00 0.00 C ATOM 1141 CZ PHE A 74 -4.134 -1.248 -3.816 1.00 0.00 C ATOM 0 H PHE A 74 -5.118 1.555 -0.400 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.117 4.229 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.305 3.396 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.382 2.742 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.678 0.372 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.643 1.970 -4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.125 -1.905 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.092 -0.307 -5.479 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.329 -2.249 -4.171 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.976 4.479 -2.811 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.225 4.714 -3.524 1.00 0.00 C ATOM 1153 C GLU A 75 -7.074 4.391 -5.008 1.00 0.00 C ATOM 1154 O GLU A 75 -6.135 4.848 -5.660 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.672 6.167 -3.350 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.172 6.363 -3.493 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.533 7.736 -4.026 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -9.099 8.068 -5.150 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.248 8.479 -3.322 1.00 0.00 O ATOM 0 H GLU A 75 -5.300 5.240 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.984 4.055 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.360 6.519 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.161 6.786 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.572 5.601 -4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.648 6.217 -2.523 1.00 0.00 H new ATOM 1166 N SER A 76 -8.004 3.601 -5.534 1.00 0.00 N ATOM 1167 CA SER A 76 -7.972 3.213 -6.939 1.00 0.00 C ATOM 1168 C SER A 76 -9.124 3.855 -7.706 1.00 0.00 C ATOM 1169 O SER A 76 -10.275 3.809 -7.273 1.00 0.00 O ATOM 1170 CB SER A 76 -8.042 1.691 -7.072 1.00 0.00 C ATOM 1171 OG SER A 76 -9.380 1.232 -6.983 1.00 0.00 O ATOM 0 H SER A 76 -8.789 3.217 -5.008 1.00 0.00 H new ATOM 0 HA SER A 76 -7.033 3.565 -7.366 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.612 1.386 -8.026 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.442 1.226 -6.289 1.00 0.00 H new ATOM 0 HG SER A 76 -9.704 1.344 -6.065 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.805 4.454 -8.850 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.823 5.097 -9.660 1.00 0.00 C ATOM 1179 C GLY A 77 -10.957 4.158 -10.019 1.00 0.00 C ATOM 1180 O GLY A 77 -11.037 3.044 -9.501 1.00 0.00 O ATOM 0 H GLY A 77 -7.860 4.505 -9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.223 5.956 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.368 5.479 -10.574 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.837 4.608 -10.907 1.00 0.00 N ATOM 1185 CA ARG A 78 -12.974 3.801 -11.333 1.00 0.00 C ATOM 1186 C ARG A 78 -12.645 3.027 -12.606 1.00 0.00 C ATOM 1187 O ARG A 78 -13.195 1.953 -12.851 1.00 0.00 O ATOM 1188 CB ARG A 78 -14.199 4.688 -11.565 1.00 0.00 C ATOM 1189 CG ARG A 78 -14.305 5.220 -12.985 1.00 0.00 C ATOM 1190 CD ARG A 78 -15.090 4.272 -13.877 1.00 0.00 C ATOM 1191 NE ARG A 78 -16.439 4.032 -13.369 1.00 0.00 N ATOM 1192 CZ ARG A 78 -17.410 4.938 -13.408 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -17.184 6.136 -13.928 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -18.611 4.645 -12.926 1.00 0.00 N ATOM 0 H ARG A 78 -11.785 5.527 -11.346 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.197 3.086 -10.541 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -15.099 4.119 -11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.165 5.529 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -14.790 6.196 -12.974 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.306 5.365 -13.396 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.150 4.687 -14.883 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.558 3.324 -13.955 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.646 3.120 -12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.262 6.365 -14.300 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.932 6.829 -13.956 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.789 3.724 -12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -19.356 5.341 -12.956 1.00 0.00 H new ATOM 1208 N ARG A 79 -11.746 3.580 -13.412 1.00 0.00 N ATOM 1209 CA ARG A 79 -11.345 2.942 -14.661 1.00 0.00 C ATOM 1210 C ARG A 79 -10.307 1.853 -14.406 1.00 0.00 C ATOM 1211 O ARG A 79 -9.127 2.021 -14.720 1.00 0.00 O ATOM 1212 CB ARG A 79 -10.781 3.982 -15.631 1.00 0.00 C ATOM 1213 CG ARG A 79 -11.851 4.790 -16.347 1.00 0.00 C ATOM 1214 CD ARG A 79 -11.364 5.285 -17.700 1.00 0.00 C ATOM 1215 NE ARG A 79 -10.362 6.340 -17.569 1.00 0.00 N ATOM 1216 CZ ARG A 79 -9.519 6.678 -18.538 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -9.557 6.047 -19.704 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -8.637 7.649 -18.343 1.00 0.00 N ATOM 0 H ARG A 79 -11.281 4.468 -13.223 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.228 2.482 -15.105 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.130 4.663 -15.082 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.162 3.477 -16.372 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.742 4.177 -16.482 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.140 5.641 -15.730 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.941 4.451 -18.260 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.211 5.659 -18.275 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.307 6.845 -16.684 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.235 5.300 -19.858 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.909 6.308 -20.447 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.605 8.137 -17.448 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.990 7.908 -19.088 1.00 0.00 H new ATOM 1232 N CYS A 80 -10.753 0.740 -13.836 1.00 0.00 N ATOM 1233 CA CYS A 80 -9.863 -0.377 -13.538 1.00 0.00 C ATOM 1234 C CYS A 80 -10.658 -1.654 -13.287 1.00 0.00 C ATOM 1235 O CYS A 80 -11.858 -1.606 -13.021 1.00 0.00 O ATOM 1236 CB CYS A 80 -8.996 -0.053 -12.321 1.00 0.00 C ATOM 1237 SG CYS A 80 -9.789 1.040 -11.119 1.00 0.00 S ATOM 0 H CYS A 80 -11.726 0.586 -13.571 1.00 0.00 H new ATOM 0 HA CYS A 80 -9.218 -0.537 -14.402 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.723 -0.984 -11.824 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.070 0.410 -12.661 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.978 1.254 -10.126 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.980 -2.794 -13.375 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.624 -4.084 -13.159 1.00 0.00 C ATOM 1245 C GLN A 81 -11.548 -4.035 -11.947 1.00 0.00 C ATOM 1246 O GLN A 81 -12.772 -4.016 -12.086 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.572 -5.178 -12.969 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.162 -6.569 -12.813 1.00 0.00 C ATOM 1249 CD GLN A 81 -9.280 -7.489 -11.992 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -9.579 -7.787 -10.836 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -8.184 -7.946 -12.588 1.00 0.00 N ATOM 0 H GLN A 81 -8.985 -2.850 -13.594 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.223 -4.315 -14.040 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.896 -5.173 -13.824 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.973 -4.946 -12.088 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.141 -6.493 -12.340 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.318 -7.006 -13.799 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.974 -7.673 -13.548 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.552 -8.569 -12.085 1.00 0.00 H new ATOM 1260 N THR A 82 -10.956 -4.015 -10.758 1.00 0.00 N ATOM 1261 CA THR A 82 -11.725 -3.970 -9.521 1.00 0.00 C ATOM 1262 C THR A 82 -12.774 -2.865 -9.566 1.00 0.00 C ATOM 1263 O THR A 82 -13.959 -3.111 -9.343 1.00 0.00 O ATOM 1264 CB THR A 82 -10.814 -3.748 -8.299 1.00 0.00 C ATOM 1265 OG1 THR A 82 -10.057 -2.543 -8.466 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.869 -4.924 -8.108 1.00 0.00 C ATOM 0 H THR A 82 -9.945 -4.029 -10.625 1.00 0.00 H new ATOM 0 HA THR A 82 -12.221 -4.935 -9.423 1.00 0.00 H new ATOM 0 HB THR A 82 -11.444 -3.662 -7.414 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.942 -2.106 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.236 -4.744 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.448 -5.835 -7.953 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.245 -5.037 -8.995 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.331 -1.646 -9.857 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.245 -0.521 -9.927 1.00 0.00 C ATOM 1276 C GLY A 83 -13.023 0.477 -8.807 1.00 0.00 C ATOM 1277 O GLY A 83 -12.194 0.255 -7.926 1.00 0.00 O ATOM 0 H GLY A 83 -11.355 -1.417 -10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.125 -0.018 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.271 -0.887 -9.885 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.765 1.579 -8.844 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.643 2.615 -7.825 1.00 0.00 C ATOM 1283 C GLN A 84 -13.807 2.027 -6.428 1.00 0.00 C ATOM 1284 O GLN A 84 -14.834 1.428 -6.112 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.684 3.712 -8.056 1.00 0.00 C ATOM 1286 CG GLN A 84 -14.584 4.863 -7.067 1.00 0.00 C ATOM 1287 CD GLN A 84 -15.924 5.521 -6.802 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -16.893 5.297 -7.527 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -15.985 6.340 -5.758 1.00 0.00 N ATOM 0 H GLN A 84 -14.456 1.777 -9.567 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.646 3.049 -7.901 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.571 4.102 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.681 3.275 -7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.172 4.495 -6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.887 5.608 -7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.157 6.497 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -16.860 6.812 -5.531 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.787 2.203 -5.593 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.838 1.683 -4.239 1.00 0.00 C ATOM 1300 C GLY A 85 -11.479 1.680 -3.568 1.00 0.00 C ATOM 1301 O GLY A 85 -10.452 1.535 -4.231 1.00 0.00 O ATOM 0 H GLY A 85 -11.926 2.696 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.530 2.283 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.233 0.667 -4.258 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.472 1.841 -2.249 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.229 1.856 -1.488 1.00 0.00 C ATOM 1307 C ILE A 86 -9.973 0.507 -0.826 1.00 0.00 C ATOM 1308 O ILE A 86 -10.876 -0.091 -0.240 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.245 2.951 -0.405 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.419 4.330 -1.046 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -8.966 2.901 0.418 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.865 4.752 -1.188 1.00 0.00 C ATOM 0 H ILE A 86 -12.313 1.963 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.428 2.068 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.089 2.771 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.890 5.070 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.952 4.326 -2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.992 3.681 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.881 1.927 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.107 3.059 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.913 5.738 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.394 4.033 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.332 4.789 -0.204 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.735 0.032 -0.923 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.359 -1.247 -0.333 1.00 0.00 C ATOM 1326 C PHE A 87 -7.239 -1.067 0.688 1.00 0.00 C ATOM 1327 O PHE A 87 -6.342 -0.246 0.502 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.918 -2.226 -1.423 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.817 -2.227 -2.627 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -10.046 -2.867 -2.589 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.433 -1.589 -3.795 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.874 -2.870 -3.695 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -9.258 -1.589 -4.904 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.481 -2.229 -4.854 1.00 0.00 C ATOM 0 H PHE A 87 -7.976 0.514 -1.405 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.232 -1.653 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.904 -1.976 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.883 -3.232 -1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.360 -3.369 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.478 -1.086 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.829 -3.373 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.947 -1.089 -5.809 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.128 -2.228 -5.719 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.299 -1.842 1.766 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.291 -1.769 2.816 1.00 0.00 C ATOM 1346 C ALA A 88 -5.783 -3.159 3.186 1.00 0.00 C ATOM 1347 O ALA A 88 -6.567 -4.097 3.339 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.854 -1.067 4.042 1.00 0.00 C ATOM 0 H ALA A 88 -8.035 -2.528 1.935 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.448 -1.191 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.090 -1.020 4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.161 -0.056 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.716 -1.621 4.415 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.468 -3.285 3.329 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.856 -4.561 3.680 1.00 0.00 C ATOM 1356 C PHE A 89 -2.955 -4.414 4.903 1.00 0.00 C ATOM 1357 O PHE A 89 -2.147 -3.490 4.986 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.048 -5.105 2.500 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.773 -5.020 1.187 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -4.088 -3.790 0.634 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.140 -6.170 0.507 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.755 -3.708 -0.574 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -4.806 -6.094 -0.701 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.115 -4.862 -1.242 1.00 0.00 C ATOM 0 H PHE A 89 -3.806 -2.519 3.207 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.654 -5.264 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.112 -4.552 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.789 -6.145 2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.809 -2.884 1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.903 -7.137 0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.994 -2.743 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.085 -6.998 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.637 -4.801 -2.185 1.00 0.00 H new ATOM 1374 N LYS A 90 -3.101 -5.333 5.852 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.302 -5.309 7.071 1.00 0.00 C ATOM 1376 C LYS A 90 -0.896 -5.841 6.811 1.00 0.00 C ATOM 1377 O LYS A 90 -0.724 -6.980 6.374 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.978 -6.138 8.165 1.00 0.00 C ATOM 1379 CG LYS A 90 -3.932 -5.336 9.034 1.00 0.00 C ATOM 1380 CD LYS A 90 -4.658 -6.224 10.030 1.00 0.00 C ATOM 1381 CE LYS A 90 -5.506 -5.405 10.991 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.709 -4.904 12.146 1.00 0.00 N ATOM 0 H LYS A 90 -3.766 -6.104 5.800 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.224 -4.274 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.525 -6.959 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.211 -6.584 8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.378 -4.565 9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.659 -4.826 8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.292 -6.930 9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.932 -6.811 10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.945 -4.561 10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.332 -6.015 11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.323 -4.351 12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.311 -5.710 12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.936 -4.301 11.799 1.00 0.00 H new ATOM 1396 N CYS A 91 0.105 -5.011 7.082 1.00 0.00 N ATOM 1397 CA CYS A 91 1.496 -5.399 6.878 1.00 0.00 C ATOM 1398 C CYS A 91 2.408 -4.702 7.882 1.00 0.00 C ATOM 1399 O CYS A 91 1.980 -3.800 8.603 1.00 0.00 O ATOM 1400 CB CYS A 91 1.937 -5.063 5.452 1.00 0.00 C ATOM 1401 SG CYS A 91 1.713 -3.327 5.000 1.00 0.00 S ATOM 0 H CYS A 91 -0.021 -4.065 7.443 1.00 0.00 H new ATOM 0 HA CYS A 91 1.573 -6.475 7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 91 2.989 -5.324 5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.376 -5.684 4.754 1.00 0.00 H new ATOM 0 HG CYS A 91 1.914 -3.182 3.724 1.00 0.00 H new ATOM 1407 N SER A 92 3.666 -5.128 7.926 1.00 0.00 N ATOM 1408 CA SER A 92 4.638 -4.549 8.847 1.00 0.00 C ATOM 1409 C SER A 92 5.603 -3.626 8.108 1.00 0.00 C ATOM 1410 O SER A 92 6.153 -2.691 8.690 1.00 0.00 O ATOM 1411 CB SER A 92 5.417 -5.655 9.561 1.00 0.00 C ATOM 1412 OG SER A 92 5.902 -6.614 8.638 1.00 0.00 O ATOM 0 H SER A 92 4.037 -5.872 7.335 1.00 0.00 H new ATOM 0 HA SER A 92 4.096 -3.961 9.587 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.252 -5.220 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.774 -6.143 10.293 1.00 0.00 H new ATOM 0 HG SER A 92 6.398 -7.309 9.119 1.00 0.00 H new ATOM 1418 N ARG A 93 5.804 -3.897 6.823 1.00 0.00 N ATOM 1419 CA ARG A 93 6.703 -3.094 6.004 1.00 0.00 C ATOM 1420 C ARG A 93 5.917 -2.174 5.075 1.00 0.00 C ATOM 1421 O ARG A 93 6.256 -2.024 3.901 1.00 0.00 O ATOM 1422 CB ARG A 93 7.626 -3.997 5.184 1.00 0.00 C ATOM 1423 CG ARG A 93 8.239 -5.132 5.988 1.00 0.00 C ATOM 1424 CD ARG A 93 9.570 -5.575 5.402 1.00 0.00 C ATOM 1425 NE ARG A 93 10.499 -4.458 5.249 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.236 -3.974 6.242 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.153 -4.506 7.454 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.058 -2.956 6.025 1.00 0.00 N ATOM 0 H ARG A 93 5.356 -4.667 6.326 1.00 0.00 H new ATOM 0 HA ARG A 93 7.307 -2.479 6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.063 -4.416 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.426 -3.392 4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.383 -4.812 7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.551 -5.977 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.016 -6.332 6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.402 -6.042 4.432 1.00 0.00 H new ATOM 0 HE ARG A 93 10.586 -4.026 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.522 -5.289 7.625 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.720 -4.132 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.125 -2.544 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.623 -2.585 6.789 1.00 0.00 H new ATOM 1442 N ALA A 94 4.865 -1.562 5.608 1.00 0.00 N ATOM 1443 CA ALA A 94 4.031 -0.656 4.827 1.00 0.00 C ATOM 1444 C ALA A 94 4.827 0.559 4.362 1.00 0.00 C ATOM 1445 O ALA A 94 4.497 1.177 3.350 1.00 0.00 O ATOM 1446 CB ALA A 94 2.822 -0.218 5.641 1.00 0.00 C ATOM 0 H ALA A 94 4.570 -1.677 6.578 1.00 0.00 H new ATOM 0 HA ALA A 94 3.685 -1.191 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.208 0.458 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.234 -1.093 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.157 0.295 6.543 1.00 0.00 H new ATOM 1452 N GLU A 95 5.875 0.895 5.107 1.00 0.00 N ATOM 1453 CA GLU A 95 6.716 2.038 4.770 1.00 0.00 C ATOM 1454 C GLU A 95 7.462 1.796 3.461 1.00 0.00 C ATOM 1455 O GLU A 95 7.448 2.638 2.563 1.00 0.00 O ATOM 1456 CB GLU A 95 7.714 2.314 5.896 1.00 0.00 C ATOM 1457 CG GLU A 95 8.693 3.433 5.580 1.00 0.00 C ATOM 1458 CD GLU A 95 9.977 3.327 6.380 1.00 0.00 C ATOM 1459 OE1 GLU A 95 10.641 2.272 6.298 1.00 0.00 O ATOM 1460 OE2 GLU A 95 10.318 4.298 7.087 1.00 0.00 O ATOM 0 H GLU A 95 6.162 0.393 5.947 1.00 0.00 H new ATOM 0 HA GLU A 95 6.071 2.908 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.165 2.568 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.273 1.402 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.929 3.414 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.220 4.393 5.785 1.00 0.00 H new ATOM 1467 N GLU A 96 8.114 0.642 3.362 1.00 0.00 N ATOM 1468 CA GLU A 96 8.867 0.291 2.164 1.00 0.00 C ATOM 1469 C GLU A 96 7.972 0.326 0.929 1.00 0.00 C ATOM 1470 O GLU A 96 8.235 1.064 -0.021 1.00 0.00 O ATOM 1471 CB GLU A 96 9.491 -1.098 2.316 1.00 0.00 C ATOM 1472 CG GLU A 96 10.785 -1.100 3.113 1.00 0.00 C ATOM 1473 CD GLU A 96 11.719 -2.223 2.706 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.294 -3.396 2.753 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.876 -1.927 2.340 1.00 0.00 O ATOM 0 H GLU A 96 8.136 -0.065 4.097 1.00 0.00 H new ATOM 0 HA GLU A 96 9.661 1.027 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.773 -1.758 2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.683 -1.511 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.292 -0.144 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.554 -1.192 4.174 1.00 0.00 H new ATOM 1482 N ILE A 97 6.914 -0.479 0.949 1.00 0.00 N ATOM 1483 CA ILE A 97 5.980 -0.540 -0.168 1.00 0.00 C ATOM 1484 C ILE A 97 5.637 0.857 -0.675 1.00 0.00 C ATOM 1485 O ILE A 97 5.772 1.149 -1.863 1.00 0.00 O ATOM 1486 CB ILE A 97 4.680 -1.266 0.224 1.00 0.00 C ATOM 1487 CG1 ILE A 97 4.986 -2.691 0.689 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.708 -1.282 -0.947 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.771 -3.432 1.203 1.00 0.00 C ATOM 0 H ILE A 97 6.683 -1.097 1.726 1.00 0.00 H new ATOM 0 HA ILE A 97 6.474 -1.101 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 97 4.215 -0.727 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.419 -3.250 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.739 -2.654 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.794 -1.799 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.470 -0.258 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.163 -1.800 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.062 -4.435 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.350 -2.895 2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.025 -3.501 0.411 1.00 0.00 H new ATOM 1501 N PHE A 98 5.193 1.718 0.235 1.00 0.00 N ATOM 1502 CA PHE A 98 4.831 3.085 -0.118 1.00 0.00 C ATOM 1503 C PHE A 98 5.996 3.797 -0.801 1.00 0.00 C ATOM 1504 O PHE A 98 5.844 4.358 -1.886 1.00 0.00 O ATOM 1505 CB PHE A 98 4.405 3.862 1.129 1.00 0.00 C ATOM 1506 CG PHE A 98 4.147 5.318 0.870 1.00 0.00 C ATOM 1507 CD1 PHE A 98 5.171 6.246 0.974 1.00 0.00 C ATOM 1508 CD2 PHE A 98 2.881 5.760 0.522 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.936 7.587 0.736 1.00 0.00 C ATOM 1510 CE2 PHE A 98 2.640 7.100 0.283 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.669 8.015 0.389 1.00 0.00 C ATOM 0 H PHE A 98 5.075 1.493 1.223 1.00 0.00 H new ATOM 0 HA PHE A 98 3.994 3.043 -0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.502 3.409 1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.181 3.768 1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.164 5.918 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.073 5.049 0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.743 8.300 0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.648 7.431 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.484 9.062 0.201 1.00 0.00 H new ATOM 1521 N ASN A 99 7.158 3.770 -0.156 1.00 0.00 N ATOM 1522 CA ASN A 99 8.348 4.414 -0.700 1.00 0.00 C ATOM 1523 C ASN A 99 8.670 3.877 -2.091 1.00 0.00 C ATOM 1524 O ASN A 99 9.089 4.624 -2.976 1.00 0.00 O ATOM 1525 CB ASN A 99 9.542 4.195 0.232 1.00 0.00 C ATOM 1526 CG ASN A 99 9.522 5.129 1.426 1.00 0.00 C ATOM 1527 OD1 ASN A 99 8.997 6.241 1.351 1.00 0.00 O ATOM 1528 ND2 ASN A 99 10.095 4.681 2.538 1.00 0.00 N ATOM 0 H ASN A 99 7.301 3.310 0.743 1.00 0.00 H new ATOM 0 HA ASN A 99 8.148 5.483 -0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.542 3.163 0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.467 4.343 -0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 99 10.112 5.265 3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.518 3.753 2.556 1.00 0.00 H new ATOM 1535 N LEU A 100 8.470 2.577 -2.278 1.00 0.00 N ATOM 1536 CA LEU A 100 8.738 1.938 -3.562 1.00 0.00 C ATOM 1537 C LEU A 100 7.711 2.364 -4.607 1.00 0.00 C ATOM 1538 O LEU A 100 8.044 2.558 -5.777 1.00 0.00 O ATOM 1539 CB LEU A 100 8.725 0.416 -3.409 1.00 0.00 C ATOM 1540 CG LEU A 100 8.828 -0.389 -4.705 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.108 -0.041 -5.450 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.769 -1.881 -4.412 1.00 0.00 C ATOM 0 H LEU A 100 8.123 1.945 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 100 9.725 2.255 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.552 0.129 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.805 0.130 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 100 7.981 -0.129 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.164 -0.624 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.110 1.022 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.969 -0.271 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.844 -2.438 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.596 -2.156 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.825 -2.119 -3.922 1.00 0.00 H new ATOM 1554 N LEU A 101 6.463 2.511 -4.176 1.00 0.00 N ATOM 1555 CA LEU A 101 5.387 2.917 -5.074 1.00 0.00 C ATOM 1556 C LEU A 101 5.628 4.324 -5.611 1.00 0.00 C ATOM 1557 O LEU A 101 5.564 4.556 -6.818 1.00 0.00 O ATOM 1558 CB LEU A 101 4.042 2.860 -4.348 1.00 0.00 C ATOM 1559 CG LEU A 101 2.811 3.202 -5.187 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.380 2.002 -6.017 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.671 3.672 -4.296 1.00 0.00 C ATOM 0 H LEU A 101 6.171 2.355 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 101 5.369 2.225 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.913 1.856 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.080 3.544 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 101 3.073 4.013 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.502 2.264 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.192 1.710 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.137 1.171 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.803 3.911 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.410 2.882 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.982 4.560 -3.746 1.00 0.00 H new ATOM 1573 N GLN A 102 5.908 5.258 -4.707 1.00 0.00 N ATOM 1574 CA GLN A 102 6.160 6.641 -5.092 1.00 0.00 C ATOM 1575 C GLN A 102 7.514 6.776 -5.781 1.00 0.00 C ATOM 1576 O GLN A 102 7.743 7.716 -6.543 1.00 0.00 O ATOM 1577 CB GLN A 102 6.107 7.552 -3.864 1.00 0.00 C ATOM 1578 CG GLN A 102 7.127 7.194 -2.796 1.00 0.00 C ATOM 1579 CD GLN A 102 7.397 8.338 -1.840 1.00 0.00 C ATOM 1580 OE1 GLN A 102 6.474 8.901 -1.251 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.668 8.689 -1.679 1.00 0.00 N ATOM 0 H GLN A 102 5.966 5.082 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 102 5.383 6.943 -5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.270 8.583 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.108 7.506 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.770 6.332 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.060 6.898 -3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.402 8.195 -2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.910 9.452 -1.047 1.00 0.00 H new ATOM 1590 N ASP A 103 8.408 5.832 -5.509 1.00 0.00 N ATOM 1591 CA ASP A 103 9.739 5.845 -6.103 1.00 0.00 C ATOM 1592 C ASP A 103 9.689 5.388 -7.558 1.00 0.00 C ATOM 1593 O ASP A 103 10.433 5.888 -8.403 1.00 0.00 O ATOM 1594 CB ASP A 103 10.686 4.947 -5.306 1.00 0.00 C ATOM 1595 CG ASP A 103 11.325 5.672 -4.138 1.00 0.00 C ATOM 1596 OD1 ASP A 103 10.670 6.569 -3.565 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.480 5.343 -3.795 1.00 0.00 O ATOM 0 H ASP A 103 8.235 5.048 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 103 10.112 6.869 -6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.136 4.082 -4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.467 4.570 -5.967 1.00 0.00 H new ATOM 1602 N LEU A 104 8.810 4.434 -7.843 1.00 0.00 N ATOM 1603 CA LEU A 104 8.663 3.908 -9.196 1.00 0.00 C ATOM 1604 C LEU A 104 7.999 4.933 -10.110 1.00 0.00 C ATOM 1605 O LEU A 104 8.385 5.088 -11.268 1.00 0.00 O ATOM 1606 CB LEU A 104 7.842 2.618 -9.176 1.00 0.00 C ATOM 1607 CG LEU A 104 8.542 1.385 -8.602 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.540 0.265 -8.363 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.652 0.920 -9.534 1.00 0.00 C ATOM 0 H LEU A 104 8.188 4.009 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 104 9.658 3.692 -9.586 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.935 2.797 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.532 2.393 -10.196 1.00 0.00 H new ATOM 0 HG LEU A 104 8.988 1.656 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.056 -0.604 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.780 0.601 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.065 -0.005 -9.306 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.139 0.042 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.229 0.666 -10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.384 1.718 -9.655 1.00 0.00 H new ATOM 1621 N MET A 105 7.001 5.631 -9.580 1.00 0.00 N ATOM 1622 CA MET A 105 6.286 6.645 -10.348 1.00 0.00 C ATOM 1623 C MET A 105 7.210 7.801 -10.716 1.00 0.00 C ATOM 1624 O MET A 105 7.271 8.213 -11.873 1.00 0.00 O ATOM 1625 CB MET A 105 5.088 7.167 -9.552 1.00 0.00 C ATOM 1626 CG MET A 105 4.107 6.079 -9.146 1.00 0.00 C ATOM 1627 SD MET A 105 3.154 6.516 -7.679 1.00 0.00 S ATOM 1628 CE MET A 105 1.592 6.987 -8.418 1.00 0.00 C ATOM 0 H MET A 105 6.669 5.514 -8.623 1.00 0.00 H new ATOM 0 HA MET A 105 5.928 6.183 -11.268 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.450 7.671 -8.656 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.563 7.914 -10.148 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.424 5.883 -9.973 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.653 5.155 -8.958 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.203 7.872 -7.914 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.741 7.208 -9.475 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.880 6.168 -8.316 1.00 0.00 H new ATOM 1638 N GLN A 106 7.927 8.319 -9.723 1.00 0.00 N ATOM 1639 CA GLN A 106 8.847 9.428 -9.944 1.00 0.00 C ATOM 1640 C GLN A 106 10.005 9.004 -10.841 1.00 0.00 C ATOM 1641 O GLN A 106 10.380 9.723 -11.769 1.00 0.00 O ATOM 1642 CB GLN A 106 9.384 9.946 -8.609 1.00 0.00 C ATOM 1643 CG GLN A 106 10.165 8.906 -7.822 1.00 0.00 C ATOM 1644 CD GLN A 106 10.301 9.265 -6.356 1.00 0.00 C ATOM 1645 OE1 GLN A 106 9.342 9.702 -5.719 1.00 0.00 O ATOM 1646 NE2 GLN A 106 11.498 9.082 -5.810 1.00 0.00 N ATOM 0 H GLN A 106 7.888 7.988 -8.759 1.00 0.00 H new ATOM 0 HA GLN A 106 8.299 10.228 -10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.027 10.807 -8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.549 10.297 -8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.668 7.940 -7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.158 8.795 -8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.266 8.718 -6.374 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.650 9.306 -4.826 1.00 0.00 H new ATOM 2022 N PHE A 136 -11.669 -6.045 -0.246 1.00 0.00 N ATOM 2023 CA PHE A 136 -12.727 -5.338 0.466 1.00 0.00 C ATOM 2024 C PHE A 136 -12.744 -3.860 0.088 1.00 0.00 C ATOM 2025 O PHE A 136 -11.736 -3.164 0.216 1.00 0.00 O ATOM 2026 CB PHE A 136 -12.542 -5.488 1.978 1.00 0.00 C ATOM 2027 CG PHE A 136 -13.710 -4.985 2.777 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -13.908 -3.625 2.959 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -14.609 -5.871 3.347 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -14.982 -3.159 3.694 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -15.685 -5.411 4.083 1.00 0.00 C ATOM 2032 CZ PHE A 136 -15.871 -4.053 4.258 1.00 0.00 C ATOM 0 HA PHE A 136 -13.681 -5.779 0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -12.377 -6.539 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -11.645 -4.949 2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -13.215 -2.921 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -14.468 -6.934 3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -15.126 -2.097 3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -16.380 -6.112 4.521 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.710 -3.691 4.835 1.00 0.00 H new ATOM 2042 N ARG A 137 -13.895 -3.388 -0.378 1.00 0.00 N ATOM 2043 CA ARG A 137 -14.044 -1.993 -0.777 1.00 0.00 C ATOM 2044 C ARG A 137 -14.378 -1.116 0.426 1.00 0.00 C ATOM 2045 O ARG A 137 -15.449 -1.242 1.021 1.00 0.00 O ATOM 2046 CB ARG A 137 -15.136 -1.858 -1.839 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.693 -2.290 -3.227 1.00 0.00 C ATOM 2048 CD ARG A 137 -14.678 -3.805 -3.361 1.00 0.00 C ATOM 2049 NE ARG A 137 -14.941 -4.236 -4.731 1.00 0.00 N ATOM 2050 CZ ARG A 137 -16.161 -4.360 -5.242 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -17.225 -4.087 -4.499 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -16.319 -4.758 -6.498 1.00 0.00 N ATOM 0 H ARG A 137 -14.738 -3.951 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 137 -13.095 -1.658 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.998 -2.455 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -15.466 -0.820 -1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -15.364 -1.864 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.698 -1.896 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.709 -4.188 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -15.427 -4.235 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.144 -4.454 -5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -17.108 -3.781 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -18.161 -4.183 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.503 -4.969 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.256 -4.853 -6.889 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.454 -0.229 0.780 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.650 0.669 1.913 1.00 0.00 C ATOM 2068 C LEU A 138 -14.476 1.885 1.507 1.00 0.00 C ATOM 2069 O LEU A 138 -14.269 2.460 0.438 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.299 1.119 2.471 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.512 0.067 3.255 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -10.301 0.697 3.926 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.405 -0.608 4.286 1.00 0.00 C ATOM 0 H LEU A 138 -12.562 -0.113 0.299 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.193 0.126 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.681 1.462 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.465 1.978 3.121 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.160 -0.692 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.753 -0.066 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.650 1.133 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.630 1.477 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.829 -1.353 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.787 0.139 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.240 -1.094 3.782 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.411 2.272 2.368 1.00 0.00 N ATOM 2086 CA ARG A 139 -16.268 3.421 2.100 1.00 0.00 C ATOM 2087 C ARG A 139 -15.470 4.721 2.162 1.00 0.00 C ATOM 2088 O ARG A 139 -15.834 5.716 1.534 1.00 0.00 O ATOM 2089 CB ARG A 139 -17.421 3.470 3.104 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.640 2.672 2.670 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.670 2.579 3.785 1.00 0.00 C ATOM 2092 NE ARG A 139 -20.892 1.911 3.346 1.00 0.00 N ATOM 2093 CZ ARG A 139 -21.831 1.475 4.179 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -21.688 1.637 5.487 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -22.916 0.877 3.704 1.00 0.00 N ATOM 0 H ARG A 139 -15.595 1.807 3.257 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.675 3.312 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -17.072 3.091 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.713 4.509 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -19.090 3.141 1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -18.333 1.669 2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.243 2.036 4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -19.912 3.581 4.140 1.00 0.00 H new ATOM 0 HE ARG A 139 -21.032 1.771 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -20.856 2.097 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -22.410 1.301 6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -23.030 0.751 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -23.636 0.543 4.345 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.380 4.704 2.923 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.531 5.881 3.067 1.00 0.00 C ATOM 2111 C HIS A 140 -12.059 5.485 3.123 1.00 0.00 C ATOM 2112 O HIS A 140 -11.719 4.305 3.035 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.910 6.659 4.328 1.00 0.00 C ATOM 2114 CG HIS A 140 -15.175 7.447 4.187 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -15.319 8.486 3.292 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -16.360 7.343 4.833 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -16.537 8.988 3.395 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -17.189 8.311 4.323 1.00 0.00 N ATOM 0 H HIS A 140 -14.064 3.889 3.449 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.685 6.518 2.196 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -14.017 5.960 5.158 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -13.096 7.337 4.585 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -16.607 6.631 5.606 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -16.932 9.811 2.819 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -18.152 8.480 4.613 1.00 0.00 H new ATOM 2127 N PHE A 141 -11.188 6.479 3.270 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.752 6.234 3.336 1.00 0.00 C ATOM 2129 C PHE A 141 -9.288 6.111 4.784 1.00 0.00 C ATOM 2130 O PHE A 141 -9.339 7.063 5.562 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.989 7.361 2.637 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.600 6.973 2.217 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.401 6.043 1.210 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.493 7.540 2.828 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.125 5.684 0.822 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.214 7.186 2.443 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.029 6.257 1.438 1.00 0.00 C ATOM 0 H PHE A 141 -11.452 7.461 3.346 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.544 5.293 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.550 7.679 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.931 8.220 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.253 5.593 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.632 8.267 3.614 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -5.984 4.956 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.360 7.635 2.928 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.030 5.979 1.134 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.823 4.909 5.155 1.00 0.00 N ATOM 2148 CA PRO A 142 -8.340 4.631 6.511 1.00 0.00 C ATOM 2149 C PRO A 142 -7.026 5.342 6.815 1.00 0.00 C ATOM 2150 O PRO A 142 -6.898 6.021 7.835 1.00 0.00 O ATOM 2151 CB PRO A 142 -8.140 3.113 6.513 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.909 2.760 5.084 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.733 3.728 4.280 1.00 0.00 C ATOM 0 HA PRO A 142 -9.036 4.983 7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -7.291 2.826 7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -9.015 2.599 6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.853 2.840 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -8.208 1.731 4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -8.257 3.968 3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.718 3.322 4.050 1.00 0.00 H new ATOM 2161 N CYS A 143 -6.052 5.182 5.926 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.747 5.809 6.100 1.00 0.00 C ATOM 2163 C CYS A 143 -4.889 7.313 6.307 1.00 0.00 C ATOM 2164 O CYS A 143 -5.929 7.896 6.005 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.859 5.531 4.886 1.00 0.00 C ATOM 2166 SG CYS A 143 -3.062 3.908 4.910 1.00 0.00 S ATOM 0 H CYS A 143 -6.141 4.623 5.077 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.282 5.381 6.988 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -4.462 5.614 3.982 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -3.090 6.301 4.828 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.479 3.728 6.058 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.836 7.936 6.828 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.865 9.367 7.069 1.00 0.00 C ATOM 2174 C GLY A 144 -2.915 10.126 6.164 1.00 0.00 C ATOM 2175 O GLY A 144 -3.291 11.132 5.564 1.00 0.00 O ATOM 0 H GLY A 144 -2.964 7.475 7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.879 9.737 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.605 9.563 8.109 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.680 9.645 6.067 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.673 10.287 5.231 1.00 0.00 C ATOM 2181 C ASN A 145 -0.916 9.983 3.756 1.00 0.00 C ATOM 2182 O ASN A 145 -0.392 9.008 3.217 1.00 0.00 O ATOM 2183 CB ASN A 145 0.728 9.822 5.635 1.00 0.00 C ATOM 2184 CG ASN A 145 0.917 9.796 7.139 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.356 10.778 7.738 1.00 0.00 O ATOM 2186 ND2 ASN A 145 0.586 8.669 7.758 1.00 0.00 N ATOM 0 H ASN A 145 -1.353 8.813 6.557 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.748 11.364 5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 145 0.907 8.825 5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.470 10.484 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 145 0.692 8.593 8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 145 0.226 7.880 7.222 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.714 10.825 3.108 1.00 0.00 N ATOM 2194 CA VAL A 146 -2.026 10.648 1.694 1.00 0.00 C ATOM 2195 C VAL A 146 -1.000 11.351 0.813 1.00 0.00 C ATOM 2196 O VAL A 146 -0.450 12.385 1.187 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.430 11.186 1.358 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.692 11.096 -0.138 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.492 10.428 2.140 1.00 0.00 C ATOM 0 H VAL A 146 -2.156 11.637 3.539 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.998 9.577 1.495 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.477 12.235 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.688 11.480 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -2.949 11.687 -0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.626 10.056 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.478 10.821 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.448 9.370 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.313 10.549 3.208 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.747 10.781 -0.361 1.00 0.00 N ATOM 2210 CA ASN A 147 0.214 11.353 -1.297 1.00 0.00 C ATOM 2211 C ASN A 147 -0.387 11.461 -2.695 1.00 0.00 C ATOM 2212 O ASN A 147 -1.133 10.584 -3.131 1.00 0.00 O ATOM 2213 CB ASN A 147 1.484 10.501 -1.340 1.00 0.00 C ATOM 2214 CG ASN A 147 2.508 11.039 -2.321 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.433 12.193 -2.743 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.472 10.202 -2.688 1.00 0.00 N ATOM 0 H ASN A 147 -1.194 9.924 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 147 0.468 12.355 -0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.925 10.461 -0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.223 9.479 -1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.190 10.507 -3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.495 9.254 -2.312 1.00 0.00 H new ATOM 2223 N TYR A 148 -0.055 12.541 -3.394 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.563 12.765 -4.742 1.00 0.00 C ATOM 2225 C TYR A 148 0.489 12.406 -5.787 1.00 0.00 C ATOM 2226 O TYR A 148 1.594 12.948 -5.784 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.990 14.223 -4.913 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.830 14.746 -3.769 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.960 14.062 -3.341 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -1.491 15.925 -3.116 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.730 14.537 -2.297 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -2.254 16.407 -2.070 1.00 0.00 C ATOM 2233 CZ TYR A 148 -3.373 15.709 -1.665 1.00 0.00 C ATOM 2234 OH TYR A 148 -4.137 16.185 -0.623 1.00 0.00 O ATOM 0 H TYR A 148 0.564 13.275 -3.049 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.430 12.120 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -0.100 14.844 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -1.553 14.321 -5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -3.242 13.143 -3.833 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -0.616 16.474 -3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.607 13.993 -1.978 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -1.976 17.324 -1.572 1.00 0.00 H new ATOM 0 HH TYR A 148 -3.748 17.020 -0.287 1.00 0.00 H new ATOM 2244 N GLY A 149 0.136 11.487 -6.681 1.00 0.00 N ATOM 2245 CA GLY A 149 1.060 11.070 -7.720 1.00 0.00 C ATOM 2246 C GLY A 149 0.741 11.696 -9.064 1.00 0.00 C ATOM 2247 O GLY A 149 0.846 12.911 -9.231 1.00 0.00 O ATOM 0 H GLY A 149 -0.773 11.024 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.075 11.339 -7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.032 9.984 -7.812 1.00 0.00 H new