USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 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 70 ASN : amide:sc= -3.39! C(o=-3.5!,f=-5.4!) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -163:sc= -0.131 (180deg=-0.291) USER MOD Set 2.1: A 61 CYS SG : rot -67:sc= 0.168 USER MOD Set 2.2: A 76 SER OG : rot 136:sc= 1.29 USER MOD Set 2.3: A 80 CYS SG : rot -96:sc= 0.667 USER MOD Set 2.4: A 82 THR OG1 : rot 163:sc= 0.943 USER MOD Set 3.1: A 65 TYR OH : rot -42:sc= -0.915 USER MOD Set 3.2: A 102 GLN : amide:sc= -1.62 K(o=-5.1,f=-6.4) USER MOD Set 3.3: A 147 ASN : amide:sc= -2.56 K(o=-5.1,f=-4) USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 35 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 19 THR OG1 : rot -38:sc= 0.358 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 172:sc=-0.00988 (180deg=-0.0248) USER MOD Single : A 25 ASN : amide:sc= -0.19 K(o=-0.19,f=-0.98) USER MOD Single : A 38 MET CE :methyl 152:sc= -0.0117 (180deg=-0.161) USER MOD Single : A 41 THR OG1 : rot -1:sc= 0.714 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) USER MOD Single : A 59 TYR OH : rot 175:sc= 1.25 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00329 USER MOD Single : A 73 SER OG : rot 18:sc= -0.316 USER MOD Single : A 81 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.3!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 CYS SG : rot 66:sc= -0.105 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -2.41 X(o=-2.4,f=-2.5) USER MOD Single : A 105 MET CE :methyl 171:sc= -0.0936 (180deg=-0.293) USER MOD Single : A 106 GLN : amide:sc= -0.0383 K(o=-0.038,f=-1.4!) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 143 CYS SG : rot -100:sc= -0.908 USER MOD Single : A 145 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.26) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.598 -5.786 -2.727 1.00 0.00 N ATOM 235 CA THR A 19 10.566 -5.943 -3.744 1.00 0.00 C ATOM 236 C THR A 19 9.334 -6.636 -3.176 1.00 0.00 C ATOM 237 O THR A 19 8.283 -6.017 -3.004 1.00 0.00 O ATOM 238 CB THR A 19 11.084 -6.749 -4.950 1.00 0.00 C ATOM 239 OG1 THR A 19 11.706 -7.958 -4.501 1.00 0.00 O ATOM 240 CG2 THR A 19 12.080 -5.932 -5.760 1.00 0.00 C ATOM 0 HA THR A 19 10.295 -4.941 -4.075 1.00 0.00 H new ATOM 0 HB THR A 19 10.234 -6.993 -5.587 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.202 -7.783 -3.674 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.432 -6.522 -6.606 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.596 -5.026 -6.125 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.927 -5.661 -5.129 1.00 0.00 H new ATOM 248 N LYS A 20 9.468 -7.926 -2.884 1.00 0.00 N ATOM 249 CA LYS A 20 8.366 -8.705 -2.332 1.00 0.00 C ATOM 250 C LYS A 20 7.857 -8.084 -1.035 1.00 0.00 C ATOM 251 O LYS A 20 8.607 -7.425 -0.314 1.00 0.00 O ATOM 252 CB LYS A 20 8.810 -10.147 -2.080 1.00 0.00 C ATOM 253 CG LYS A 20 7.681 -11.158 -2.182 1.00 0.00 C ATOM 254 CD LYS A 20 7.458 -11.602 -3.618 1.00 0.00 C ATOM 255 CE LYS A 20 8.390 -12.741 -4.000 1.00 0.00 C ATOM 256 NZ LYS A 20 7.904 -14.052 -3.488 1.00 0.00 N ATOM 0 H LYS A 20 10.330 -8.454 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 20 7.553 -8.704 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.587 -10.410 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.257 -10.213 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.911 -12.026 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.763 -10.721 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.423 -11.919 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.618 -10.759 -4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.482 -12.787 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.386 -12.543 -3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.567 -14.802 -3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.841 -14.018 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.964 -14.253 -3.886 1.00 0.00 H new ATOM 270 N PHE A 21 6.579 -8.300 -0.743 1.00 0.00 N ATOM 271 CA PHE A 21 5.970 -7.762 0.469 1.00 0.00 C ATOM 272 C PHE A 21 4.717 -8.548 0.842 1.00 0.00 C ATOM 273 O PHE A 21 3.733 -8.558 0.103 1.00 0.00 O ATOM 274 CB PHE A 21 5.621 -6.285 0.277 1.00 0.00 C ATOM 275 CG PHE A 21 6.825 -5.390 0.197 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.572 -5.109 1.330 1.00 0.00 C ATOM 277 CD2 PHE A 21 7.210 -4.829 -1.010 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.680 -4.286 1.260 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.317 -4.006 -1.086 1.00 0.00 C ATOM 280 CZ PHE A 21 9.053 -3.734 0.051 1.00 0.00 C ATOM 0 H PHE A 21 5.945 -8.843 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 21 6.691 -7.855 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.035 -6.174 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.990 -5.959 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.285 -5.538 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.638 -5.038 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.254 -4.075 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.607 -3.576 -2.033 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.919 -3.091 -0.006 1.00 0.00 H new ATOM 290 N LYS A 22 4.761 -9.206 1.996 1.00 0.00 N ATOM 291 CA LYS A 22 3.630 -9.995 2.471 1.00 0.00 C ATOM 292 C LYS A 22 2.609 -9.111 3.179 1.00 0.00 C ATOM 293 O LYS A 22 2.952 -8.354 4.088 1.00 0.00 O ATOM 294 CB LYS A 22 4.112 -11.096 3.418 1.00 0.00 C ATOM 295 CG LYS A 22 4.613 -12.338 2.702 1.00 0.00 C ATOM 296 CD LYS A 22 5.767 -12.015 1.768 1.00 0.00 C ATOM 297 CE LYS A 22 6.587 -13.255 1.445 1.00 0.00 C ATOM 298 NZ LYS A 22 5.764 -14.308 0.788 1.00 0.00 N ATOM 0 H LYS A 22 5.568 -9.208 2.620 1.00 0.00 H new ATOM 0 HA LYS A 22 3.150 -10.453 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.912 -10.700 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.295 -11.375 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.933 -13.078 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.798 -12.785 2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.380 -11.583 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.408 -11.263 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.416 -12.982 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.021 -13.653 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.382 -15.079 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.072 -14.683 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.262 -13.899 -0.026 1.00 0.00 H new ATOM 312 N VAL A 23 1.352 -9.211 2.758 1.00 0.00 N ATOM 313 CA VAL A 23 0.280 -8.422 3.354 1.00 0.00 C ATOM 314 C VAL A 23 -0.917 -9.299 3.706 1.00 0.00 C ATOM 315 O VAL A 23 -0.951 -10.484 3.376 1.00 0.00 O ATOM 316 CB VAL A 23 -0.181 -7.297 2.409 1.00 0.00 C ATOM 317 CG1 VAL A 23 0.981 -6.379 2.065 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.801 -7.882 1.149 1.00 0.00 C ATOM 0 H VAL A 23 1.051 -9.831 2.006 1.00 0.00 H new ATOM 0 HA VAL A 23 0.682 -7.978 4.265 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.941 -6.705 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.636 -5.590 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.376 -5.934 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.766 -6.954 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.121 -7.073 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.064 -8.498 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.662 -8.494 1.418 1.00 0.00 H new ATOM 328 N THR A 24 -1.899 -8.707 4.379 1.00 0.00 N ATOM 329 CA THR A 24 -3.098 -9.433 4.777 1.00 0.00 C ATOM 330 C THR A 24 -4.345 -8.574 4.601 1.00 0.00 C ATOM 331 O THR A 24 -4.600 -7.665 5.390 1.00 0.00 O ATOM 332 CB THR A 24 -3.012 -9.899 6.243 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.838 -10.695 6.436 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.245 -10.704 6.627 1.00 0.00 C ATOM 0 H THR A 24 -1.887 -7.726 4.660 1.00 0.00 H new ATOM 0 HA THR A 24 -3.168 -10.307 4.129 1.00 0.00 H new ATOM 0 HB THR A 24 -2.960 -9.016 6.880 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.790 -10.986 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.162 -11.023 7.666 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.135 -10.086 6.506 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.322 -11.581 5.984 1.00 0.00 H new ATOM 342 N ASN A 25 -5.119 -8.868 3.562 1.00 0.00 N ATOM 343 CA ASN A 25 -6.340 -8.121 3.283 1.00 0.00 C ATOM 344 C ASN A 25 -7.223 -8.038 4.525 1.00 0.00 C ATOM 345 O ASN A 25 -7.363 -9.010 5.267 1.00 0.00 O ATOM 346 CB ASN A 25 -7.114 -8.778 2.137 1.00 0.00 C ATOM 347 CG ASN A 25 -8.437 -8.089 1.864 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.504 -8.655 2.103 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.373 -6.862 1.361 1.00 0.00 N ATOM 0 H ASN A 25 -4.923 -9.618 2.899 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.058 -7.109 2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.505 -8.760 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.296 -9.825 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.231 -6.349 1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.466 -6.432 1.179 1.00 0.00 H new ATOM 356 N VAL A 26 -7.816 -6.869 4.745 1.00 0.00 N ATOM 357 CA VAL A 26 -8.686 -6.658 5.895 1.00 0.00 C ATOM 358 C VAL A 26 -9.914 -5.838 5.513 1.00 0.00 C ATOM 359 O VAL A 26 -10.080 -5.452 4.356 1.00 0.00 O ATOM 360 CB VAL A 26 -7.941 -5.944 7.039 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.683 -6.711 7.417 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.606 -4.514 6.645 1.00 0.00 C ATOM 0 H VAL A 26 -7.710 -6.054 4.142 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.003 -7.643 6.237 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.594 -5.912 7.911 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.170 -6.192 8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.953 -7.715 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.023 -6.776 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.080 -4.024 7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.971 -4.520 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.526 -3.971 6.429 1.00 0.00 H new ATOM 372 N ASP A 27 -10.771 -5.574 6.493 1.00 0.00 N ATOM 373 CA ASP A 27 -11.983 -4.798 6.261 1.00 0.00 C ATOM 374 C ASP A 27 -11.900 -3.440 6.952 1.00 0.00 C ATOM 375 O ASP A 27 -10.867 -3.084 7.519 1.00 0.00 O ATOM 376 CB ASP A 27 -13.209 -5.564 6.761 1.00 0.00 C ATOM 377 CG ASP A 27 -12.898 -6.430 7.966 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.416 -5.885 8.981 1.00 0.00 O ATOM 379 OD2 ASP A 27 -13.138 -7.654 7.894 1.00 0.00 O ATOM 0 H ASP A 27 -10.648 -5.886 7.456 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.079 -4.634 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.996 -4.856 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.595 -6.190 5.957 1.00 0.00 H new ATOM 384 N ASP A 28 -12.993 -2.688 6.898 1.00 0.00 N ATOM 385 CA ASP A 28 -13.044 -1.369 7.519 1.00 0.00 C ATOM 386 C ASP A 28 -12.525 -1.422 8.952 1.00 0.00 C ATOM 387 O ASP A 28 -11.775 -0.547 9.383 1.00 0.00 O ATOM 388 CB ASP A 28 -14.475 -0.829 7.502 1.00 0.00 C ATOM 389 CG ASP A 28 -14.522 0.686 7.540 1.00 0.00 C ATOM 390 OD1 ASP A 28 -13.613 1.294 8.142 1.00 0.00 O ATOM 391 OD2 ASP A 28 -15.469 1.264 6.965 1.00 0.00 O ATOM 0 H ASP A 28 -13.855 -2.968 6.431 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.404 -0.700 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.983 -1.183 6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.021 -1.228 8.357 1.00 0.00 H new ATOM 396 N GLU A 29 -12.930 -2.455 9.685 1.00 0.00 N ATOM 397 CA GLU A 29 -12.506 -2.620 11.071 1.00 0.00 C ATOM 398 C GLU A 29 -11.023 -2.970 11.148 1.00 0.00 C ATOM 399 O GLU A 29 -10.295 -2.452 11.994 1.00 0.00 O ATOM 400 CB GLU A 29 -13.334 -3.710 11.754 1.00 0.00 C ATOM 401 CG GLU A 29 -14.769 -3.296 12.038 1.00 0.00 C ATOM 402 CD GLU A 29 -15.638 -4.462 12.469 1.00 0.00 C ATOM 403 OE1 GLU A 29 -15.251 -5.168 13.424 1.00 0.00 O ATOM 404 OE2 GLU A 29 -16.703 -4.669 11.851 1.00 0.00 O ATOM 0 H GLU A 29 -13.550 -3.189 9.343 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.666 -1.674 11.588 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.339 -4.599 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.852 -3.987 12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.776 -2.535 12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.196 -2.841 11.144 1.00 0.00 H new ATOM 411 N GLY A 30 -10.582 -3.854 10.258 1.00 0.00 N ATOM 412 CA GLY A 30 -9.188 -4.258 10.242 1.00 0.00 C ATOM 413 C GLY A 30 -9.011 -5.736 10.528 1.00 0.00 C ATOM 414 O GLY A 30 -7.933 -6.173 10.933 1.00 0.00 O ATOM 0 H GLY A 30 -11.165 -4.297 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.756 -4.025 9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.636 -3.679 10.982 1.00 0.00 H new ATOM 418 N VAL A 31 -10.071 -6.510 10.318 1.00 0.00 N ATOM 419 CA VAL A 31 -10.028 -7.948 10.556 1.00 0.00 C ATOM 420 C VAL A 31 -9.319 -8.672 9.418 1.00 0.00 C ATOM 421 O VAL A 31 -9.573 -8.404 8.244 1.00 0.00 O ATOM 422 CB VAL A 31 -11.444 -8.532 10.719 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.376 -9.960 11.240 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.278 -7.658 11.643 1.00 0.00 C ATOM 0 H VAL A 31 -10.971 -6.165 9.983 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.472 -8.100 11.481 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.925 -8.550 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.386 -10.356 11.349 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.818 -10.578 10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.876 -9.971 12.208 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.275 -8.086 11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.802 -7.606 12.622 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.355 -6.655 11.223 1.00 0.00 H new ATOM 434 N GLU A 32 -8.428 -9.593 9.774 1.00 0.00 N ATOM 435 CA GLU A 32 -7.681 -10.356 8.781 1.00 0.00 C ATOM 436 C GLU A 32 -8.600 -11.312 8.025 1.00 0.00 C ATOM 437 O GLU A 32 -9.157 -12.244 8.606 1.00 0.00 O ATOM 438 CB GLU A 32 -6.552 -11.141 9.452 1.00 0.00 C ATOM 439 CG GLU A 32 -5.375 -10.276 9.871 1.00 0.00 C ATOM 440 CD GLU A 32 -4.310 -11.060 10.614 1.00 0.00 C ATOM 441 OE1 GLU A 32 -3.885 -12.116 10.101 1.00 0.00 O ATOM 442 OE2 GLU A 32 -3.903 -10.617 11.708 1.00 0.00 O ATOM 0 H GLU A 32 -8.206 -9.828 10.741 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.251 -9.652 8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.948 -11.651 10.330 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.200 -11.912 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.933 -9.818 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.733 -9.465 10.505 1.00 0.00 H new ATOM 449 N LEU A 33 -8.754 -11.073 6.728 1.00 0.00 N ATOM 450 CA LEU A 33 -9.606 -11.911 5.891 1.00 0.00 C ATOM 451 C LEU A 33 -8.769 -12.868 5.049 1.00 0.00 C ATOM 452 O LEU A 33 -8.757 -14.075 5.290 1.00 0.00 O ATOM 453 CB LEU A 33 -10.476 -11.041 4.982 1.00 0.00 C ATOM 454 CG LEU A 33 -11.230 -9.900 5.666 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.730 -8.899 4.636 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.388 -10.445 6.489 1.00 0.00 C ATOM 0 H LEU A 33 -8.300 -10.306 6.232 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.250 -12.499 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.842 -10.616 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.203 -11.683 4.485 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.543 -9.386 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.264 -8.094 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.883 -8.485 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.402 -9.399 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.914 -9.619 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.076 -10.983 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.005 -11.123 7.251 1.00 0.00 H new ATOM 468 N GLY A 34 -8.068 -12.321 4.061 1.00 0.00 N ATOM 469 CA GLY A 34 -7.236 -13.141 3.199 1.00 0.00 C ATOM 470 C GLY A 34 -5.843 -12.568 3.022 1.00 0.00 C ATOM 471 O GLY A 34 -5.676 -11.355 2.893 1.00 0.00 O ATOM 0 H GLY A 34 -8.061 -11.325 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.162 -14.145 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.713 -13.237 2.223 1.00 0.00 H new ATOM 475 N SER A 35 -4.842 -13.442 3.017 1.00 0.00 N ATOM 476 CA SER A 35 -3.456 -13.015 2.859 1.00 0.00 C ATOM 477 C SER A 35 -2.955 -13.305 1.448 1.00 0.00 C ATOM 478 O SER A 35 -3.429 -14.228 0.786 1.00 0.00 O ATOM 479 CB SER A 35 -2.564 -13.719 3.884 1.00 0.00 C ATOM 480 OG SER A 35 -3.115 -13.628 5.187 1.00 0.00 O ATOM 0 H SER A 35 -4.964 -14.449 3.120 1.00 0.00 H new ATOM 0 HA SER A 35 -3.412 -11.939 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.445 -14.767 3.608 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.570 -13.272 3.874 1.00 0.00 H new ATOM 0 HG SER A 35 -2.528 -14.087 5.823 1.00 0.00 H new ATOM 486 N GLY A 36 -1.993 -12.509 0.993 1.00 0.00 N ATOM 487 CA GLY A 36 -1.443 -12.695 -0.337 1.00 0.00 C ATOM 488 C GLY A 36 -0.076 -12.058 -0.494 1.00 0.00 C ATOM 489 O GLY A 36 0.392 -11.350 0.397 1.00 0.00 O ATOM 0 H GLY A 36 -1.584 -11.738 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.370 -13.761 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.126 -12.269 -1.072 1.00 0.00 H new ATOM 493 N VAL A 37 0.566 -12.311 -1.630 1.00 0.00 N ATOM 494 CA VAL A 37 1.887 -11.757 -1.901 1.00 0.00 C ATOM 495 C VAL A 37 1.794 -10.516 -2.781 1.00 0.00 C ATOM 496 O VAL A 37 1.313 -10.580 -3.912 1.00 0.00 O ATOM 497 CB VAL A 37 2.800 -12.792 -2.586 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.190 -12.216 -2.806 1.00 0.00 C ATOM 499 CG2 VAL A 37 2.867 -14.070 -1.764 1.00 0.00 C ATOM 0 H VAL A 37 0.193 -12.896 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 37 2.318 -11.483 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 37 2.376 -13.036 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.820 -12.962 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.121 -11.332 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.626 -11.941 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.516 -14.790 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.266 -13.846 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.867 -14.492 -1.665 1.00 0.00 H new ATOM 509 N MET A 38 2.257 -9.388 -2.254 1.00 0.00 N ATOM 510 CA MET A 38 2.227 -8.131 -2.994 1.00 0.00 C ATOM 511 C MET A 38 3.524 -7.926 -3.770 1.00 0.00 C ATOM 512 O MET A 38 4.613 -8.165 -3.250 1.00 0.00 O ATOM 513 CB MET A 38 2.000 -6.958 -2.038 1.00 0.00 C ATOM 514 CG MET A 38 1.825 -5.624 -2.745 1.00 0.00 C ATOM 515 SD MET A 38 0.200 -5.449 -3.507 1.00 0.00 S ATOM 516 CE MET A 38 -0.805 -5.065 -2.075 1.00 0.00 C ATOM 0 H MET A 38 2.657 -9.318 -1.318 1.00 0.00 H new ATOM 0 HA MET A 38 1.402 -8.176 -3.705 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.115 -7.158 -1.433 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.845 -6.889 -1.353 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.975 -4.816 -2.029 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.594 -5.519 -3.510 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.661 -4.464 -2.382 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.156 -5.990 -1.618 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.210 -4.506 -1.352 1.00 0.00 H new ATOM 526 N GLU A 39 3.398 -7.482 -5.017 1.00 0.00 N ATOM 527 CA GLU A 39 4.561 -7.247 -5.864 1.00 0.00 C ATOM 528 C GLU A 39 4.473 -5.883 -6.543 1.00 0.00 C ATOM 529 O GLU A 39 3.424 -5.504 -7.067 1.00 0.00 O ATOM 530 CB GLU A 39 4.682 -8.347 -6.920 1.00 0.00 C ATOM 531 CG GLU A 39 5.796 -8.107 -7.925 1.00 0.00 C ATOM 532 CD GLU A 39 5.676 -8.991 -9.151 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.946 -8.607 -10.089 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.312 -10.065 -9.174 1.00 0.00 O ATOM 0 H GLU A 39 2.503 -7.278 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 39 5.448 -7.262 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.854 -9.301 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.735 -8.432 -7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.783 -7.061 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.758 -8.286 -7.445 1.00 0.00 H new ATOM 541 N LEU A 40 5.580 -5.149 -6.529 1.00 0.00 N ATOM 542 CA LEU A 40 5.629 -3.826 -7.143 1.00 0.00 C ATOM 543 C LEU A 40 6.670 -3.781 -8.256 1.00 0.00 C ATOM 544 O LEU A 40 7.874 -3.761 -7.996 1.00 0.00 O ATOM 545 CB LEU A 40 5.946 -2.765 -6.088 1.00 0.00 C ATOM 546 CG LEU A 40 4.743 -2.137 -5.385 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.190 -3.080 -4.327 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.126 -0.801 -4.763 1.00 0.00 C ATOM 0 H LEU A 40 6.456 -5.447 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 40 4.651 -3.617 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.589 -3.214 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.520 -1.969 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 40 3.965 -1.960 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.334 -2.616 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.877 -4.012 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.962 -3.289 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.257 -0.368 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.922 -0.954 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.474 -0.123 -5.543 1.00 0.00 H new ATOM 560 N THR A 41 6.200 -3.762 -9.500 1.00 0.00 N ATOM 561 CA THR A 41 7.089 -3.717 -10.653 1.00 0.00 C ATOM 562 C THR A 41 7.125 -2.322 -11.266 1.00 0.00 C ATOM 563 O THR A 41 6.125 -1.605 -11.257 1.00 0.00 O ATOM 564 CB THR A 41 6.661 -4.729 -11.732 1.00 0.00 C ATOM 565 OG1 THR A 41 5.291 -4.513 -12.091 1.00 0.00 O ATOM 566 CG2 THR A 41 6.842 -6.157 -11.238 1.00 0.00 C ATOM 0 H THR A 41 5.207 -3.777 -9.734 1.00 0.00 H new ATOM 0 HA THR A 41 8.085 -3.979 -10.295 1.00 0.00 H new ATOM 0 HB THR A 41 7.293 -4.582 -12.608 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.926 -3.776 -11.559 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.533 -6.854 -12.017 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.891 -6.327 -10.994 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.232 -6.314 -10.348 1.00 0.00 H new ATOM 574 N GLN A 42 8.283 -1.944 -11.800 1.00 0.00 N ATOM 575 CA GLN A 42 8.447 -0.634 -12.417 1.00 0.00 C ATOM 576 C GLN A 42 7.267 -0.309 -13.327 1.00 0.00 C ATOM 577 O GLN A 42 6.916 0.856 -13.513 1.00 0.00 O ATOM 578 CB GLN A 42 9.750 -0.583 -13.216 1.00 0.00 C ATOM 579 CG GLN A 42 10.994 -0.791 -12.366 1.00 0.00 C ATOM 580 CD GLN A 42 12.132 -1.423 -13.141 1.00 0.00 C ATOM 581 OE1 GLN A 42 12.837 -0.748 -13.892 1.00 0.00 O ATOM 582 NE2 GLN A 42 12.319 -2.726 -12.963 1.00 0.00 N ATOM 0 H GLN A 42 9.120 -2.527 -11.817 1.00 0.00 H new ATOM 0 HA GLN A 42 8.486 0.111 -11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.720 -1.346 -13.994 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.821 0.382 -13.719 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.321 0.169 -11.966 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.745 -1.423 -11.513 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.711 -3.247 -12.331 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.071 -3.206 -13.458 1.00 0.00 H new ATOM 591 N SER A 43 6.657 -1.347 -13.891 1.00 0.00 N ATOM 592 CA SER A 43 5.518 -1.171 -14.785 1.00 0.00 C ATOM 593 C SER A 43 4.286 -0.714 -14.011 1.00 0.00 C ATOM 594 O SER A 43 3.895 0.451 -14.078 1.00 0.00 O ATOM 595 CB SER A 43 5.216 -2.477 -15.522 1.00 0.00 C ATOM 596 OG SER A 43 6.058 -2.632 -16.651 1.00 0.00 O ATOM 0 H SER A 43 6.932 -2.318 -13.745 1.00 0.00 H new ATOM 0 HA SER A 43 5.774 -0.401 -15.513 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.352 -3.320 -14.845 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.173 -2.487 -15.838 1.00 0.00 H new ATOM 0 HG SER A 43 5.846 -3.475 -17.104 1.00 0.00 H new ATOM 602 N GLU A 44 3.678 -1.641 -13.276 1.00 0.00 N ATOM 603 CA GLU A 44 2.489 -1.333 -12.490 1.00 0.00 C ATOM 604 C GLU A 44 2.458 -2.158 -11.206 1.00 0.00 C ATOM 605 O GLU A 44 3.351 -2.968 -10.953 1.00 0.00 O ATOM 606 CB GLU A 44 1.225 -1.598 -13.311 1.00 0.00 C ATOM 607 CG GLU A 44 1.202 -2.968 -13.968 1.00 0.00 C ATOM 608 CD GLU A 44 0.206 -3.051 -15.108 1.00 0.00 C ATOM 609 OE1 GLU A 44 -0.998 -2.827 -14.862 1.00 0.00 O ATOM 610 OE2 GLU A 44 0.630 -3.340 -16.246 1.00 0.00 O ATOM 0 H GLU A 44 3.989 -2.610 -13.209 1.00 0.00 H new ATOM 0 HA GLU A 44 2.524 -0.277 -12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.354 -1.500 -12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.136 -0.833 -14.082 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.198 -3.204 -14.343 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.956 -3.722 -13.220 1.00 0.00 H new ATOM 617 N LEU A 45 1.424 -1.946 -10.399 1.00 0.00 N ATOM 618 CA LEU A 45 1.275 -2.668 -9.141 1.00 0.00 C ATOM 619 C LEU A 45 0.549 -3.992 -9.356 1.00 0.00 C ATOM 620 O LEU A 45 -0.546 -4.028 -9.918 1.00 0.00 O ATOM 621 CB LEU A 45 0.512 -1.814 -8.127 1.00 0.00 C ATOM 622 CG LEU A 45 0.864 -2.043 -6.657 1.00 0.00 C ATOM 623 CD1 LEU A 45 0.037 -1.133 -5.762 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.652 -3.502 -6.278 1.00 0.00 C ATOM 0 H LEU A 45 0.677 -1.280 -10.594 1.00 0.00 H new ATOM 0 HA LEU A 45 2.271 -2.880 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.686 -0.764 -8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.555 -1.997 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 45 1.917 -1.801 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.301 -1.310 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.239 -0.092 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.022 -1.344 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.908 -3.646 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.392 -3.771 -6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.288 -4.135 -6.897 1.00 0.00 H new ATOM 636 N VAL A 46 1.165 -5.080 -8.903 1.00 0.00 N ATOM 637 CA VAL A 46 0.577 -6.406 -9.043 1.00 0.00 C ATOM 638 C VAL A 46 0.362 -7.058 -7.682 1.00 0.00 C ATOM 639 O VAL A 46 1.196 -6.936 -6.784 1.00 0.00 O ATOM 640 CB VAL A 46 1.462 -7.325 -9.906 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.781 -8.666 -10.130 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.789 -6.656 -11.233 1.00 0.00 C ATOM 0 H VAL A 46 2.072 -5.068 -8.436 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.386 -6.274 -9.536 1.00 0.00 H new ATOM 0 HB VAL A 46 2.397 -7.504 -9.375 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.421 -9.302 -10.742 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.602 -9.148 -9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.170 -8.511 -10.640 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.415 -7.319 -11.830 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.865 -6.446 -11.772 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.322 -5.723 -11.049 1.00 0.00 H new ATOM 652 N LEU A 47 -0.762 -7.752 -7.535 1.00 0.00 N ATOM 653 CA LEU A 47 -1.087 -8.425 -6.282 1.00 0.00 C ATOM 654 C LEU A 47 -1.373 -9.905 -6.518 1.00 0.00 C ATOM 655 O LEU A 47 -2.323 -10.261 -7.217 1.00 0.00 O ATOM 656 CB LEU A 47 -2.296 -7.759 -5.622 1.00 0.00 C ATOM 657 CG LEU A 47 -2.395 -7.904 -4.103 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.759 -7.448 -3.611 1.00 0.00 C ATOM 659 CD2 LEU A 47 -2.129 -9.344 -3.686 1.00 0.00 C ATOM 0 H LEU A 47 -1.463 -7.863 -8.268 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.226 -8.341 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.278 -6.697 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.201 -8.173 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.636 -7.269 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.811 -7.559 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.911 -6.402 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.535 -8.056 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.204 -9.429 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.864 -10.000 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.128 -9.636 -4.005 1.00 0.00 H new ATOM 671 N HIS A 48 -0.547 -10.763 -5.928 1.00 0.00 N ATOM 672 CA HIS A 48 -0.713 -12.205 -6.072 1.00 0.00 C ATOM 673 C HIS A 48 -1.664 -12.750 -5.011 1.00 0.00 C ATOM 674 O HIS A 48 -1.649 -12.309 -3.861 1.00 0.00 O ATOM 675 CB HIS A 48 0.641 -12.908 -5.968 1.00 0.00 C ATOM 676 CG HIS A 48 1.543 -12.645 -7.135 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.396 -13.268 -8.356 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.608 -11.819 -7.262 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.331 -12.838 -9.183 1.00 0.00 C ATOM 680 NE2 HIS A 48 3.080 -11.957 -8.544 1.00 0.00 N ATOM 0 H HIS A 48 0.243 -10.485 -5.346 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.141 -12.401 -7.055 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.139 -12.585 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.478 -13.982 -5.880 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.011 -11.172 -6.497 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.461 -13.153 -10.208 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.879 -11.460 -8.939 1.00 0.00 H new ATOM 689 N LEU A 49 -2.493 -13.711 -5.405 1.00 0.00 N ATOM 690 CA LEU A 49 -3.453 -14.317 -4.489 1.00 0.00 C ATOM 691 C LEU A 49 -3.577 -15.816 -4.742 1.00 0.00 C ATOM 692 O LEU A 49 -2.909 -16.365 -5.619 1.00 0.00 O ATOM 693 CB LEU A 49 -4.820 -13.648 -4.636 1.00 0.00 C ATOM 694 CG LEU A 49 -4.862 -12.141 -4.380 1.00 0.00 C ATOM 695 CD1 LEU A 49 -6.021 -11.504 -5.131 1.00 0.00 C ATOM 696 CD2 LEU A 49 -4.968 -11.856 -2.890 1.00 0.00 C ATOM 0 H LEU A 49 -2.520 -14.087 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.090 -14.169 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.187 -13.835 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.515 -14.132 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.934 -11.703 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.035 -10.432 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.901 -11.678 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.959 -11.946 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.997 -10.779 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.879 -12.307 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.104 -12.278 -2.376 1.00 0.00 H new ATOM 789 N ALA A 54 -5.353 -12.612 -10.240 1.00 0.00 N ATOM 790 CA ALA A 54 -4.292 -11.625 -10.084 1.00 0.00 C ATOM 791 C ALA A 54 -4.742 -10.253 -10.574 1.00 0.00 C ATOM 792 O ALA A 54 -5.029 -10.069 -11.757 1.00 0.00 O ATOM 793 CB ALA A 54 -3.043 -12.070 -10.830 1.00 0.00 C ATOM 0 HA ALA A 54 -4.058 -11.544 -9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.259 -11.323 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.702 -13.025 -10.431 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.272 -12.181 -11.890 1.00 0.00 H new ATOM 799 N VAL A 55 -4.803 -9.293 -9.657 1.00 0.00 N ATOM 800 CA VAL A 55 -5.218 -7.937 -9.996 1.00 0.00 C ATOM 801 C VAL A 55 -4.016 -7.060 -10.328 1.00 0.00 C ATOM 802 O VAL A 55 -2.910 -7.296 -9.840 1.00 0.00 O ATOM 803 CB VAL A 55 -6.011 -7.288 -8.846 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.387 -5.857 -9.197 1.00 0.00 C ATOM 805 CG2 VAL A 55 -7.251 -8.109 -8.524 1.00 0.00 C ATOM 0 H VAL A 55 -4.570 -9.429 -8.673 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.861 -8.014 -10.873 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.377 -7.265 -7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.947 -5.415 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.482 -5.276 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.002 -5.853 -10.097 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.799 -7.636 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.889 -8.166 -9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.954 -9.115 -8.226 1.00 0.00 H new ATOM 815 N ARG A 56 -4.240 -6.048 -11.159 1.00 0.00 N ATOM 816 CA ARG A 56 -3.174 -5.136 -11.556 1.00 0.00 C ATOM 817 C ARG A 56 -3.640 -3.685 -11.472 1.00 0.00 C ATOM 818 O ARG A 56 -4.619 -3.300 -12.110 1.00 0.00 O ATOM 819 CB ARG A 56 -2.708 -5.451 -12.979 1.00 0.00 C ATOM 820 CG ARG A 56 -2.065 -6.821 -13.120 1.00 0.00 C ATOM 821 CD ARG A 56 -2.045 -7.281 -14.569 1.00 0.00 C ATOM 822 NE ARG A 56 -0.906 -8.149 -14.853 1.00 0.00 N ATOM 823 CZ ARG A 56 -0.803 -9.396 -14.408 1.00 0.00 C ATOM 824 NH1 ARG A 56 -1.767 -9.919 -13.663 1.00 0.00 N ATOM 825 NH2 ARG A 56 0.265 -10.124 -14.708 1.00 0.00 N ATOM 0 H ARG A 56 -5.150 -5.839 -11.570 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.339 -5.272 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.562 -5.388 -13.654 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.995 -4.690 -13.296 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.046 -6.787 -12.734 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.611 -7.545 -12.515 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.970 -7.812 -14.793 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.010 -6.411 -15.225 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.148 -7.777 -15.425 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.590 -9.363 -13.430 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.685 -10.877 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.009 -9.726 -15.281 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.342 -11.082 -14.365 1.00 0.00 H new ATOM 839 N TRP A 57 -2.933 -2.887 -10.680 1.00 0.00 N ATOM 840 CA TRP A 57 -3.275 -1.479 -10.512 1.00 0.00 C ATOM 841 C TRP A 57 -2.156 -0.582 -11.030 1.00 0.00 C ATOM 842 O TRP A 57 -1.101 -0.445 -10.410 1.00 0.00 O ATOM 843 CB TRP A 57 -3.551 -1.173 -9.039 1.00 0.00 C ATOM 844 CG TRP A 57 -4.731 -1.915 -8.489 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.035 -1.784 -8.876 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.716 -2.901 -7.452 1.00 0.00 C ATOM 847 NE1 TRP A 57 -6.831 -2.630 -8.142 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.046 -3.327 -7.262 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.709 -3.468 -6.666 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.391 -4.290 -6.318 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.053 -4.425 -5.730 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.385 -4.828 -5.563 1.00 0.00 C ATOM 0 H TRP A 57 -2.120 -3.191 -10.144 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.175 -1.277 -11.093 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.668 -1.423 -8.452 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.718 -0.102 -8.923 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.388 -1.114 -9.646 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.842 -2.724 -8.237 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.680 -3.164 -6.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.417 -4.601 -6.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.283 -4.870 -5.117 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.622 -5.578 -4.823 1.00 0.00 H new ATOM 863 N PRO A 58 -2.389 0.046 -12.192 1.00 0.00 N ATOM 864 CA PRO A 58 -1.412 0.942 -12.817 1.00 0.00 C ATOM 865 C PRO A 58 -1.235 2.241 -12.039 1.00 0.00 C ATOM 866 O PRO A 58 -2.197 2.977 -11.814 1.00 0.00 O ATOM 867 CB PRO A 58 -2.019 1.222 -14.194 1.00 0.00 C ATOM 868 CG PRO A 58 -3.483 1.018 -14.012 1.00 0.00 C ATOM 869 CD PRO A 58 -3.625 -0.071 -12.984 1.00 0.00 C ATOM 0 HA PRO A 58 -0.418 0.497 -12.856 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.799 2.237 -14.524 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.616 0.547 -14.949 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.966 1.936 -13.677 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.957 0.732 -14.951 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.513 0.071 -12.367 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.714 -1.053 -13.448 1.00 0.00 H new ATOM 877 N TYR A 59 -0.002 2.517 -11.630 1.00 0.00 N ATOM 878 CA TYR A 59 0.300 3.727 -10.875 1.00 0.00 C ATOM 879 C TYR A 59 -0.297 4.956 -11.553 1.00 0.00 C ATOM 880 O TYR A 59 -0.983 5.759 -10.918 1.00 0.00 O ATOM 881 CB TYR A 59 1.813 3.897 -10.727 1.00 0.00 C ATOM 882 CG TYR A 59 2.527 2.629 -10.316 1.00 0.00 C ATOM 883 CD1 TYR A 59 2.108 1.899 -9.210 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.622 2.161 -11.033 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.758 0.741 -8.831 1.00 0.00 C ATOM 886 CE2 TYR A 59 4.276 1.003 -10.662 1.00 0.00 C ATOM 887 CZ TYR A 59 3.841 0.296 -9.560 1.00 0.00 C ATOM 888 OH TYR A 59 4.492 -0.857 -9.186 1.00 0.00 O ATOM 0 H TYR A 59 0.805 1.919 -11.809 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.146 3.628 -9.886 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.225 4.246 -11.674 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.013 4.672 -9.987 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.260 2.243 -8.637 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.967 2.713 -11.895 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.420 0.187 -7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.124 0.652 -11.232 1.00 0.00 H new ATOM 0 HH TYR A 59 5.175 -1.078 -9.853 1.00 0.00 H new ATOM 898 N LEU A 60 -0.032 5.097 -12.847 1.00 0.00 N ATOM 899 CA LEU A 60 -0.542 6.227 -13.614 1.00 0.00 C ATOM 900 C LEU A 60 -1.972 6.563 -13.202 1.00 0.00 C ATOM 901 O LEU A 60 -2.370 7.729 -13.198 1.00 0.00 O ATOM 902 CB LEU A 60 -0.490 5.918 -15.112 1.00 0.00 C ATOM 903 CG LEU A 60 -1.543 4.938 -15.632 1.00 0.00 C ATOM 904 CD1 LEU A 60 -2.860 5.655 -15.886 1.00 0.00 C ATOM 905 CD2 LEU A 60 -1.053 4.253 -16.899 1.00 0.00 C ATOM 0 H LEU A 60 0.534 4.442 -13.387 1.00 0.00 H new ATOM 0 HA LEU A 60 0.090 7.091 -13.406 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.593 6.855 -15.660 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.497 5.518 -15.346 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.710 4.175 -14.871 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.597 4.942 -16.256 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.218 6.098 -14.957 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.710 6.439 -16.628 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.814 3.559 -17.255 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.858 5.003 -17.666 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.135 3.706 -16.685 1.00 0.00 H new ATOM 917 N CYS A 61 -2.739 5.536 -12.855 1.00 0.00 N ATOM 918 CA CYS A 61 -4.125 5.722 -12.440 1.00 0.00 C ATOM 919 C CYS A 61 -4.204 6.111 -10.967 1.00 0.00 C ATOM 920 O CYS A 61 -5.049 6.913 -10.570 1.00 0.00 O ATOM 921 CB CYS A 61 -4.929 4.445 -12.687 1.00 0.00 C ATOM 922 SG CYS A 61 -4.915 3.285 -11.301 1.00 0.00 S ATOM 0 H CYS A 61 -2.425 4.566 -12.853 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.551 6.531 -13.034 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.961 4.716 -12.910 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.533 3.944 -13.570 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.717 2.804 -11.150 1.00 0.00 H new ATOM 928 N LEU A 62 -3.318 5.535 -10.161 1.00 0.00 N ATOM 929 CA LEU A 62 -3.288 5.820 -8.731 1.00 0.00 C ATOM 930 C LEU A 62 -3.230 7.322 -8.475 1.00 0.00 C ATOM 931 O LEU A 62 -2.165 7.934 -8.550 1.00 0.00 O ATOM 932 CB LEU A 62 -2.085 5.134 -8.080 1.00 0.00 C ATOM 933 CG LEU A 62 -2.149 3.609 -7.991 1.00 0.00 C ATOM 934 CD1 LEU A 62 -0.987 3.073 -7.170 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.476 3.165 -7.393 1.00 0.00 C ATOM 0 H LEU A 62 -2.612 4.869 -10.473 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.205 5.430 -8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.190 5.408 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.967 5.532 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.073 3.202 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.049 1.986 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.046 3.360 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.031 3.488 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.504 2.077 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.582 3.583 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.294 3.517 -8.021 1.00 0.00 H new ATOM 947 N ARG A 63 -4.383 7.910 -8.171 1.00 0.00 N ATOM 948 CA ARG A 63 -4.464 9.341 -7.904 1.00 0.00 C ATOM 949 C ARG A 63 -3.855 9.675 -6.545 1.00 0.00 C ATOM 950 O ARG A 63 -3.113 10.647 -6.408 1.00 0.00 O ATOM 951 CB ARG A 63 -5.919 9.809 -7.952 1.00 0.00 C ATOM 952 CG ARG A 63 -6.605 9.530 -9.279 1.00 0.00 C ATOM 953 CD ARG A 63 -8.041 10.030 -9.280 1.00 0.00 C ATOM 954 NE ARG A 63 -8.509 10.347 -10.627 1.00 0.00 N ATOM 955 CZ ARG A 63 -8.000 11.322 -11.371 1.00 0.00 C ATOM 956 NH1 ARG A 63 -7.010 12.071 -10.902 1.00 0.00 N ATOM 957 NH2 ARG A 63 -8.479 11.550 -12.587 1.00 0.00 N ATOM 0 H ARG A 63 -5.274 7.417 -8.104 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.897 9.862 -8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.476 9.318 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.954 10.880 -7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.051 10.011 -10.085 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.592 8.459 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.689 9.272 -8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.116 10.918 -8.652 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.268 9.789 -11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.638 11.898 -9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.621 12.819 -11.476 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.239 10.976 -12.952 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.087 12.299 -13.157 1.00 0.00 H new ATOM 971 N ARG A 64 -4.176 8.863 -5.543 1.00 0.00 N ATOM 972 CA ARG A 64 -3.663 9.073 -4.195 1.00 0.00 C ATOM 973 C ARG A 64 -3.306 7.744 -3.535 1.00 0.00 C ATOM 974 O ARG A 64 -3.654 6.676 -4.039 1.00 0.00 O ATOM 975 CB ARG A 64 -4.695 9.815 -3.343 1.00 0.00 C ATOM 976 CG ARG A 64 -5.939 8.996 -3.041 1.00 0.00 C ATOM 977 CD ARG A 64 -6.934 9.782 -2.203 1.00 0.00 C ATOM 978 NE ARG A 64 -7.896 8.910 -1.534 1.00 0.00 N ATOM 979 CZ ARG A 64 -8.959 9.357 -0.875 1.00 0.00 C ATOM 980 NH1 ARG A 64 -9.196 10.659 -0.797 1.00 0.00 N ATOM 981 NH2 ARG A 64 -9.789 8.500 -0.293 1.00 0.00 N ATOM 0 H ARG A 64 -4.789 8.054 -5.640 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.759 9.678 -4.268 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.230 10.114 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.989 10.729 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.410 8.690 -3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.657 8.085 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.397 10.368 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.467 10.488 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.743 7.902 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.561 11.321 -1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.013 10.999 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.611 7.497 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.605 8.844 0.213 1.00 0.00 H new ATOM 995 N TYR A 65 -2.609 7.818 -2.407 1.00 0.00 N ATOM 996 CA TYR A 65 -2.202 6.621 -1.681 1.00 0.00 C ATOM 997 C TYR A 65 -1.571 6.986 -0.340 1.00 0.00 C ATOM 998 O TYR A 65 -0.908 8.014 -0.212 1.00 0.00 O ATOM 999 CB TYR A 65 -1.215 5.804 -2.516 1.00 0.00 C ATOM 1000 CG TYR A 65 -0.019 6.598 -2.991 1.00 0.00 C ATOM 1001 CD1 TYR A 65 -0.062 7.306 -4.186 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.152 6.642 -2.245 1.00 0.00 C ATOM 1003 CE1 TYR A 65 1.028 8.033 -4.625 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.246 7.368 -2.675 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.179 8.061 -3.865 1.00 0.00 C ATOM 1006 OH TYR A 65 3.267 8.784 -4.298 1.00 0.00 O ATOM 0 H TYR A 65 -2.314 8.694 -1.976 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.092 6.021 -1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.866 4.957 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.736 5.395 -3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.963 7.288 -4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.208 6.099 -1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.979 8.576 -5.557 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.149 7.393 -2.082 1.00 0.00 H new ATOM 0 HH TYR A 65 3.392 8.643 -5.260 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.783 6.133 0.658 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.230 6.381 1.976 1.00 0.00 C ATOM 1018 C GLY A 66 -0.716 5.117 2.636 1.00 0.00 C ATOM 1019 O GLY A 66 -0.839 4.025 2.082 1.00 0.00 O ATOM 0 H GLY A 66 -2.328 5.275 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.416 7.102 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.994 6.832 2.608 1.00 0.00 H new ATOM 1023 N TYR A 67 -0.137 5.265 3.823 1.00 0.00 N ATOM 1024 CA TYR A 67 0.402 4.127 4.557 1.00 0.00 C ATOM 1025 C TYR A 67 0.587 4.469 6.033 1.00 0.00 C ATOM 1026 O TYR A 67 1.259 5.441 6.377 1.00 0.00 O ATOM 1027 CB TYR A 67 1.737 3.688 3.953 1.00 0.00 C ATOM 1028 CG TYR A 67 2.913 4.519 4.416 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.089 5.821 3.964 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.848 4.001 5.303 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.163 6.583 4.384 1.00 0.00 C ATOM 1032 CE2 TYR A 67 4.923 4.756 5.729 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.076 6.047 5.267 1.00 0.00 C ATOM 1034 OH TYR A 67 6.147 6.802 5.687 1.00 0.00 O ATOM 0 H TYR A 67 -0.029 6.162 4.297 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.311 3.307 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.917 2.644 4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.670 3.742 2.866 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.375 6.245 3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.732 2.990 5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.286 7.593 4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.640 4.338 6.420 1.00 0.00 H new ATOM 0 HH TYR A 67 6.694 6.277 6.308 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.015 3.662 6.900 1.00 0.00 N ATOM 1045 CA ASP A 68 0.084 3.876 8.339 1.00 0.00 C ATOM 1046 C ASP A 68 1.299 3.156 8.914 1.00 0.00 C ATOM 1047 O ASP A 68 2.070 2.536 8.181 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.189 3.392 9.036 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.474 4.154 10.315 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.619 5.393 10.247 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.551 3.513 11.384 1.00 0.00 O ATOM 0 H ASP A 68 -0.576 2.854 6.631 1.00 0.00 H new ATOM 0 HA ASP A 68 0.202 4.945 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.035 3.499 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.094 2.330 9.263 1.00 0.00 H new ATOM 1056 N SER A 69 1.465 3.243 10.230 1.00 0.00 N ATOM 1057 CA SER A 69 2.590 2.604 10.903 1.00 0.00 C ATOM 1058 C SER A 69 2.684 1.130 10.522 1.00 0.00 C ATOM 1059 O SER A 69 3.762 0.626 10.210 1.00 0.00 O ATOM 1060 CB SER A 69 2.450 2.743 12.420 1.00 0.00 C ATOM 1061 OG SER A 69 1.212 2.217 12.868 1.00 0.00 O ATOM 0 H SER A 69 0.835 3.750 10.851 1.00 0.00 H new ATOM 0 HA SER A 69 3.505 3.103 10.583 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.270 2.222 12.913 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.525 3.794 12.701 1.00 0.00 H new ATOM 0 HG SER A 69 1.147 2.316 13.841 1.00 0.00 H new ATOM 1067 N ASN A 70 1.546 0.444 10.550 1.00 0.00 N ATOM 1068 CA ASN A 70 1.499 -0.973 10.208 1.00 0.00 C ATOM 1069 C ASN A 70 0.334 -1.268 9.268 1.00 0.00 C ATOM 1070 O ASN A 70 -0.191 -2.382 9.242 1.00 0.00 O ATOM 1071 CB ASN A 70 1.373 -1.821 11.476 1.00 0.00 C ATOM 1072 CG ASN A 70 1.272 -3.303 11.173 1.00 0.00 C ATOM 1073 OD1 ASN A 70 1.943 -3.811 10.274 1.00 0.00 O ATOM 1074 ND2 ASN A 70 0.430 -4.004 11.923 1.00 0.00 N ATOM 0 H ASN A 70 0.644 0.846 10.806 1.00 0.00 H new ATOM 0 HA ASN A 70 2.428 -1.229 9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.236 -1.642 12.117 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.491 -1.506 12.034 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.319 -5.006 11.765 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.106 -3.541 12.657 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.065 -0.263 8.497 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.167 -0.413 7.553 1.00 0.00 C ATOM 1083 C LEU A 71 -0.799 0.161 6.189 1.00 0.00 C ATOM 1084 O LEU A 71 0.022 1.073 6.089 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.421 0.280 8.089 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.751 -0.185 7.495 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -4.087 -1.589 7.973 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.866 0.785 7.858 1.00 0.00 C ATOM 0 H LEU A 71 0.358 0.665 8.507 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.369 -1.478 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.458 0.136 9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.323 1.351 7.914 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.654 -0.206 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.037 -1.903 7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.301 -2.277 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.164 -1.594 9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.805 0.438 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.963 0.839 8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.630 1.774 7.465 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.413 -0.377 5.141 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.151 0.082 3.782 1.00 0.00 C ATOM 1102 C PHE A 72 -2.443 0.152 2.973 1.00 0.00 C ATOM 1103 O PHE A 72 -3.008 -0.874 2.596 1.00 0.00 O ATOM 1104 CB PHE A 72 -0.153 -0.848 3.090 1.00 0.00 C ATOM 1105 CG PHE A 72 0.043 -0.541 1.633 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.563 0.680 1.232 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.293 -1.472 0.664 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.743 0.965 -0.108 1.00 0.00 C ATOM 1109 CE2 PHE A 72 -0.115 -1.193 -0.678 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.405 0.027 -1.064 1.00 0.00 C ATOM 0 H PHE A 72 -2.096 -1.132 5.207 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.724 1.083 3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.808 -0.780 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.496 -1.877 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.830 1.417 1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.699 -2.428 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.148 1.920 -0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.382 -1.928 -1.423 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.547 0.247 -2.112 1.00 0.00 H new ATOM 1120 N SER A 73 -2.904 1.371 2.710 1.00 0.00 N ATOM 1121 CA SER A 73 -4.131 1.576 1.949 1.00 0.00 C ATOM 1122 C SER A 73 -3.907 2.572 0.815 1.00 0.00 C ATOM 1123 O SER A 73 -3.307 3.629 1.011 1.00 0.00 O ATOM 1124 CB SER A 73 -5.248 2.075 2.868 1.00 0.00 C ATOM 1125 OG SER A 73 -6.518 1.914 2.260 1.00 0.00 O ATOM 0 H SER A 73 -2.446 2.231 3.013 1.00 0.00 H new ATOM 0 HA SER A 73 -4.425 0.620 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.220 1.527 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.086 3.126 3.106 1.00 0.00 H new ATOM 0 HG SER A 73 -6.450 1.269 1.525 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.395 2.227 -0.372 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.248 3.089 -1.539 1.00 0.00 C ATOM 1133 C PHE A 74 -5.575 3.236 -2.277 1.00 0.00 C ATOM 1134 O PHE A 74 -6.492 2.436 -2.091 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.185 2.526 -2.484 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.398 1.081 -2.833 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -2.895 0.077 -2.021 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -4.100 0.726 -3.974 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -3.090 -1.254 -2.340 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -4.297 -0.603 -4.297 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.791 -1.594 -3.480 1.00 0.00 C ATOM 0 H PHE A 74 -4.896 1.357 -0.551 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.933 4.074 -1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.176 3.115 -3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.204 2.639 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.345 0.337 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.497 1.497 -4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.694 -2.027 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.847 -0.866 -5.189 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.943 -2.633 -3.732 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.670 4.264 -3.114 1.00 0.00 N ATOM 1152 CA GLU A 75 -6.885 4.516 -3.880 1.00 0.00 C ATOM 1153 C GLU A 75 -6.644 4.300 -5.371 1.00 0.00 C ATOM 1154 O GLU A 75 -5.785 4.945 -5.971 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.382 5.942 -3.634 1.00 0.00 C ATOM 1156 CG GLU A 75 -8.884 6.101 -3.803 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.328 7.550 -3.741 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -8.665 8.400 -4.372 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.337 7.833 -3.062 1.00 0.00 O ATOM 0 H GLU A 75 -4.920 4.936 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.646 3.810 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.104 6.245 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.874 6.618 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.186 5.673 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.395 5.535 -3.025 1.00 0.00 H new ATOM 1166 N SER A 76 -7.408 3.387 -5.961 1.00 0.00 N ATOM 1167 CA SER A 76 -7.276 3.081 -7.381 1.00 0.00 C ATOM 1168 C SER A 76 -8.278 3.883 -8.205 1.00 0.00 C ATOM 1169 O SER A 76 -9.382 4.177 -7.747 1.00 0.00 O ATOM 1170 CB SER A 76 -7.480 1.585 -7.624 1.00 0.00 C ATOM 1171 OG SER A 76 -6.826 1.166 -8.809 1.00 0.00 O ATOM 0 H SER A 76 -8.125 2.846 -5.478 1.00 0.00 H new ATOM 0 HA SER A 76 -6.270 3.358 -7.695 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.097 1.020 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.546 1.367 -7.697 1.00 0.00 H new ATOM 0 HG SER A 76 -6.356 0.322 -8.642 1.00 0.00 H new ATOM 1177 N GLY A 77 -7.886 4.234 -9.426 1.00 0.00 N ATOM 1178 CA GLY A 77 -8.760 4.999 -10.296 1.00 0.00 C ATOM 1179 C GLY A 77 -10.112 4.339 -10.483 1.00 0.00 C ATOM 1180 O GLY A 77 -10.459 3.403 -9.763 1.00 0.00 O ATOM 0 H GLY A 77 -6.978 4.002 -9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.900 5.996 -9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.282 5.124 -11.268 1.00 0.00 H new ATOM 1184 N ARG A 78 -10.879 4.829 -11.452 1.00 0.00 N ATOM 1185 CA ARG A 78 -12.202 4.283 -11.730 1.00 0.00 C ATOM 1186 C ARG A 78 -12.163 3.352 -12.938 1.00 0.00 C ATOM 1187 O ARG A 78 -12.828 2.316 -12.957 1.00 0.00 O ATOM 1188 CB ARG A 78 -13.202 5.414 -11.976 1.00 0.00 C ATOM 1189 CG ARG A 78 -12.955 6.643 -11.118 1.00 0.00 C ATOM 1190 CD ARG A 78 -13.973 7.736 -11.403 1.00 0.00 C ATOM 1191 NE ARG A 78 -13.758 8.357 -12.707 1.00 0.00 N ATOM 1192 CZ ARG A 78 -14.340 9.489 -13.087 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -15.168 10.121 -12.266 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -14.094 9.992 -14.290 1.00 0.00 N ATOM 0 H ARG A 78 -10.607 5.603 -12.058 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.521 3.708 -10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.162 5.701 -13.027 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.210 5.045 -11.785 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.001 6.368 -10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.950 7.022 -11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.978 7.315 -11.363 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.915 8.497 -10.625 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.126 7.896 -13.362 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.359 9.738 -11.340 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.613 10.990 -12.560 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.457 9.509 -14.924 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.542 10.861 -14.581 1.00 0.00 H new ATOM 1208 N ARG A 79 -11.380 3.728 -13.944 1.00 0.00 N ATOM 1209 CA ARG A 79 -11.256 2.928 -15.156 1.00 0.00 C ATOM 1210 C ARG A 79 -10.301 1.757 -14.939 1.00 0.00 C ATOM 1211 O ARG A 79 -9.384 1.536 -15.732 1.00 0.00 O ATOM 1212 CB ARG A 79 -10.762 3.795 -16.316 1.00 0.00 C ATOM 1213 CG ARG A 79 -9.821 4.908 -15.887 1.00 0.00 C ATOM 1214 CD ARG A 79 -8.869 5.297 -17.008 1.00 0.00 C ATOM 1215 NE ARG A 79 -8.054 4.168 -17.450 1.00 0.00 N ATOM 1216 CZ ARG A 79 -7.116 4.261 -18.386 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -6.876 5.424 -18.975 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -6.416 3.189 -18.734 1.00 0.00 N ATOM 0 H ARG A 79 -10.822 4.582 -13.943 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.241 2.531 -15.402 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.253 3.160 -17.042 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.622 4.233 -16.823 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.401 5.779 -15.582 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.248 4.586 -15.017 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.441 5.684 -17.852 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.218 6.103 -16.668 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.214 3.259 -17.016 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.412 6.250 -18.710 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.155 5.493 -19.693 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.598 2.293 -18.283 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.696 3.261 -19.453 1.00 0.00 H new ATOM 1232 N CYS A 80 -10.523 1.012 -13.863 1.00 0.00 N ATOM 1233 CA CYS A 80 -9.682 -0.136 -13.541 1.00 0.00 C ATOM 1234 C CYS A 80 -10.528 -1.387 -13.326 1.00 0.00 C ATOM 1235 O CYS A 80 -11.741 -1.301 -13.137 1.00 0.00 O ATOM 1236 CB CYS A 80 -8.848 0.151 -12.291 1.00 0.00 C ATOM 1237 SG CYS A 80 -9.821 0.663 -10.856 1.00 0.00 S ATOM 0 H CYS A 80 -11.278 1.182 -13.198 1.00 0.00 H new ATOM 0 HA CYS A 80 -9.013 -0.312 -14.383 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.282 -0.744 -12.032 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.123 0.932 -12.522 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.838 1.961 -10.784 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.880 -2.546 -13.360 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.574 -3.815 -13.171 1.00 0.00 C ATOM 1245 C GLN A 81 -11.452 -3.775 -11.925 1.00 0.00 C ATOM 1246 O GLN A 81 -12.680 -3.795 -12.016 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.566 -4.960 -13.063 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.177 -6.264 -12.575 1.00 0.00 C ATOM 1249 CD GLN A 81 -9.132 -7.262 -12.115 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -9.343 -8.000 -11.153 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -7.997 -7.290 -12.803 1.00 0.00 N ATOM 0 H GLN A 81 -8.876 -2.633 -13.517 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.213 -3.984 -14.038 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.110 -5.125 -14.039 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.766 -4.666 -12.383 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.861 -6.055 -11.753 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.768 -6.706 -13.377 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.865 -6.660 -13.594 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.257 -7.942 -12.541 1.00 0.00 H new ATOM 1260 N THR A 82 -10.815 -3.719 -10.760 1.00 0.00 N ATOM 1261 CA THR A 82 -11.537 -3.678 -9.495 1.00 0.00 C ATOM 1262 C THR A 82 -12.531 -2.522 -9.466 1.00 0.00 C ATOM 1263 O THR A 82 -13.624 -2.644 -8.914 1.00 0.00 O ATOM 1264 CB THR A 82 -10.573 -3.541 -8.301 1.00 0.00 C ATOM 1265 OG1 THR A 82 -9.931 -2.262 -8.335 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.524 -4.643 -8.324 1.00 0.00 C ATOM 0 H THR A 82 -9.799 -3.701 -10.666 1.00 0.00 H new ATOM 0 HA THR A 82 -12.077 -4.621 -9.410 1.00 0.00 H new ATOM 0 HB THR A 82 -11.152 -3.632 -7.382 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.542 -2.068 -7.457 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.855 -4.526 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.015 -5.614 -8.269 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.949 -4.579 -9.248 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.144 -1.400 -10.066 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.013 -0.239 -10.098 1.00 0.00 C ATOM 1276 C GLY A 83 -12.800 0.677 -8.909 1.00 0.00 C ATOM 1277 O GLY A 83 -12.291 0.251 -7.873 1.00 0.00 O ATOM 0 H GLY A 83 -11.244 -1.275 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.836 0.318 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.052 -0.567 -10.118 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.190 1.939 -9.059 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.036 2.918 -7.989 1.00 0.00 C ATOM 1283 C GLN A 84 -13.278 2.277 -6.626 1.00 0.00 C ATOM 1284 O GLN A 84 -14.279 1.592 -6.420 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.003 4.086 -8.195 1.00 0.00 C ATOM 1286 CG GLN A 84 -13.850 5.191 -7.162 1.00 0.00 C ATOM 1287 CD GLN A 84 -14.881 6.291 -7.328 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -14.587 7.355 -7.872 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -16.097 6.038 -6.859 1.00 0.00 N ATOM 0 H GLN A 84 -13.615 2.307 -9.910 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.013 3.293 -8.018 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.847 4.505 -9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.026 3.710 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.937 4.764 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.851 5.620 -7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.296 5.142 -6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -16.832 6.740 -6.943 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.353 2.504 -5.698 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.484 1.942 -4.367 1.00 0.00 C ATOM 1300 C GLY A 85 -11.181 1.974 -3.593 1.00 0.00 C ATOM 1301 O GLY A 85 -10.112 2.169 -4.173 1.00 0.00 O ATOM 0 H GLY A 85 -11.515 3.067 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.244 2.495 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.832 0.912 -4.444 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.269 1.785 -2.281 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.088 1.795 -1.427 1.00 0.00 C ATOM 1307 C ILE A 86 -9.772 0.395 -0.910 1.00 0.00 C ATOM 1308 O ILE A 86 -10.661 -0.328 -0.460 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.268 2.744 -0.228 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.515 4.174 -0.714 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.047 2.690 0.678 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.362 4.995 0.232 1.00 0.00 C ATOM 0 H ILE A 86 -12.146 1.623 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.259 2.150 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.136 2.420 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.556 4.672 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.003 4.139 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.189 3.366 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.912 1.673 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.163 2.992 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.496 5.997 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.335 4.520 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.866 5.061 1.200 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.499 0.019 -0.977 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.065 -1.294 -0.515 1.00 0.00 C ATOM 1326 C PHE A 87 -6.953 -1.165 0.522 1.00 0.00 C ATOM 1327 O PHE A 87 -5.912 -0.563 0.260 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.581 -2.139 -1.696 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.431 -1.993 -2.925 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -9.778 -2.315 -2.895 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -7.883 -1.533 -4.112 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.562 -2.183 -4.025 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -8.662 -1.398 -5.246 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.004 -1.722 -5.202 1.00 0.00 C ATOM 0 H PHE A 87 -7.750 0.605 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.917 -1.788 -0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.556 -1.858 -1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.563 -3.188 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.221 -2.673 -1.977 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.835 -1.277 -4.152 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.610 -2.440 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.222 -1.040 -6.165 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.616 -1.615 -6.086 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.183 -1.735 1.700 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.201 -1.686 2.777 1.00 0.00 C ATOM 1346 C ALA A 88 -5.766 -3.089 3.187 1.00 0.00 C ATOM 1347 O ALA A 88 -6.596 -3.979 3.371 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.768 -0.936 3.974 1.00 0.00 C ATOM 0 H ALA A 88 -8.040 -2.236 1.933 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.323 -1.154 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.025 -0.907 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.023 0.082 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.663 -1.445 4.332 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.458 -3.279 3.329 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.912 -4.575 3.716 1.00 0.00 C ATOM 1356 C PHE A 89 -2.986 -4.437 4.920 1.00 0.00 C ATOM 1357 O PHE A 89 -2.357 -3.397 5.119 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.154 -5.203 2.544 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.909 -5.155 1.247 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -4.156 -3.945 0.618 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.373 -6.319 0.656 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.850 -3.897 -0.576 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -5.067 -6.278 -0.538 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.307 -5.065 -1.155 1.00 0.00 C ATOM 0 H PHE A 89 -3.757 -2.553 3.182 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.743 -5.224 3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.202 -4.688 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.926 -6.241 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.802 -3.029 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.190 -7.270 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.035 -2.947 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.422 -7.193 -0.989 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.851 -5.030 -2.088 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.906 -5.493 5.722 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.057 -5.493 6.907 1.00 0.00 C ATOM 1376 C LYS A 90 -0.623 -5.867 6.549 1.00 0.00 C ATOM 1377 O LYS A 90 -0.348 -7.000 6.151 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.604 -6.467 7.953 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.322 -6.046 9.384 1.00 0.00 C ATOM 1380 CD LYS A 90 -3.437 -5.176 9.939 1.00 0.00 C ATOM 1381 CE LYS A 90 -2.945 -4.302 11.083 1.00 0.00 C ATOM 1382 NZ LYS A 90 -2.212 -3.103 10.589 1.00 0.00 N ATOM 0 H LYS A 90 -3.420 -6.361 5.572 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.058 -4.486 7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.681 -6.565 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.171 -7.452 7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.205 -6.932 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.379 -5.501 9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.838 -4.546 9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.254 -5.808 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.794 -3.985 11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.291 -4.886 11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.654 -2.693 11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.576 -3.380 9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.893 -2.398 10.243 1.00 0.00 H new ATOM 1396 N CYS A 91 0.288 -4.911 6.694 1.00 0.00 N ATOM 1397 CA CYS A 91 1.695 -5.141 6.386 1.00 0.00 C ATOM 1398 C CYS A 91 2.594 -4.491 7.432 1.00 0.00 C ATOM 1399 O CYS A 91 2.303 -3.401 7.924 1.00 0.00 O ATOM 1400 CB CYS A 91 2.030 -4.595 4.997 1.00 0.00 C ATOM 1401 SG CYS A 91 3.651 -5.101 4.376 1.00 0.00 S ATOM 0 H CYS A 91 0.077 -3.969 7.023 1.00 0.00 H new ATOM 0 HA CYS A 91 1.873 -6.216 6.398 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.265 -4.925 4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.988 -3.506 5.026 1.00 0.00 H new ATOM 0 HG CYS A 91 3.656 -6.385 4.171 1.00 0.00 H new ATOM 1407 N SER A 92 3.686 -5.169 7.769 1.00 0.00 N ATOM 1408 CA SER A 92 4.625 -4.660 8.762 1.00 0.00 C ATOM 1409 C SER A 92 5.684 -3.779 8.107 1.00 0.00 C ATOM 1410 O SER A 92 6.370 -3.009 8.780 1.00 0.00 O ATOM 1411 CB SER A 92 5.297 -5.820 9.501 1.00 0.00 C ATOM 1412 OG SER A 92 4.335 -6.658 10.117 1.00 0.00 O ATOM 0 H SER A 92 3.943 -6.072 7.369 1.00 0.00 H new ATOM 0 HA SER A 92 4.067 -4.056 9.478 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.896 -6.402 8.801 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.979 -5.428 10.256 1.00 0.00 H new ATOM 0 HG SER A 92 4.790 -7.392 10.581 1.00 0.00 H new ATOM 1418 N ARG A 93 5.811 -3.897 6.789 1.00 0.00 N ATOM 1419 CA ARG A 93 6.786 -3.113 6.042 1.00 0.00 C ATOM 1420 C ARG A 93 6.092 -2.197 5.037 1.00 0.00 C ATOM 1421 O ARG A 93 6.481 -2.131 3.871 1.00 0.00 O ATOM 1422 CB ARG A 93 7.766 -4.036 5.315 1.00 0.00 C ATOM 1423 CG ARG A 93 7.161 -5.372 4.915 1.00 0.00 C ATOM 1424 CD ARG A 93 8.234 -6.367 4.500 1.00 0.00 C ATOM 1425 NE ARG A 93 7.670 -7.671 4.162 1.00 0.00 N ATOM 1426 CZ ARG A 93 8.392 -8.781 4.063 1.00 0.00 C ATOM 1427 NH1 ARG A 93 9.701 -8.745 4.276 1.00 0.00 N ATOM 1428 NH2 ARG A 93 7.806 -9.930 3.750 1.00 0.00 N ATOM 0 H ARG A 93 5.250 -4.528 6.217 1.00 0.00 H new ATOM 0 HA ARG A 93 7.338 -2.495 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.133 -3.531 4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.628 -4.215 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.589 -5.778 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.462 -5.224 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.780 -5.975 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.954 -6.482 5.310 1.00 0.00 H new ATOM 0 HE ARG A 93 6.666 -7.733 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.155 -7.864 4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.254 -9.599 4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.800 -9.961 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.362 -10.782 3.674 1.00 0.00 H new ATOM 1442 N ALA A 94 5.063 -1.494 5.498 1.00 0.00 N ATOM 1443 CA ALA A 94 4.317 -0.582 4.640 1.00 0.00 C ATOM 1444 C ALA A 94 5.196 0.571 4.167 1.00 0.00 C ATOM 1445 O ALA A 94 5.185 0.929 2.990 1.00 0.00 O ATOM 1446 CB ALA A 94 3.095 -0.049 5.374 1.00 0.00 C ATOM 0 H ALA A 94 4.727 -1.538 6.460 1.00 0.00 H new ATOM 0 HA ALA A 94 3.988 -1.137 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.547 0.631 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.449 -0.880 5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.413 0.485 6.270 1.00 0.00 H new ATOM 1452 N GLU A 95 5.957 1.148 5.092 1.00 0.00 N ATOM 1453 CA GLU A 95 6.841 2.261 4.768 1.00 0.00 C ATOM 1454 C GLU A 95 7.641 1.970 3.502 1.00 0.00 C ATOM 1455 O GLU A 95 7.887 2.863 2.692 1.00 0.00 O ATOM 1456 CB GLU A 95 7.793 2.541 5.933 1.00 0.00 C ATOM 1457 CG GLU A 95 8.812 3.628 5.638 1.00 0.00 C ATOM 1458 CD GLU A 95 9.909 3.699 6.683 1.00 0.00 C ATOM 1459 OE1 GLU A 95 10.615 2.686 6.871 1.00 0.00 O ATOM 1460 OE2 GLU A 95 10.060 4.766 7.313 1.00 0.00 O ATOM 0 H GLU A 95 5.979 0.863 6.071 1.00 0.00 H new ATOM 0 HA GLU A 95 6.224 3.142 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.209 2.830 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.319 1.622 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.258 3.447 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.305 4.591 5.583 1.00 0.00 H new ATOM 1467 N GLU A 96 8.044 0.713 3.340 1.00 0.00 N ATOM 1468 CA GLU A 96 8.818 0.305 2.173 1.00 0.00 C ATOM 1469 C GLU A 96 7.958 0.335 0.913 1.00 0.00 C ATOM 1470 O GLU A 96 8.303 0.992 -0.070 1.00 0.00 O ATOM 1471 CB GLU A 96 9.390 -1.099 2.380 1.00 0.00 C ATOM 1472 CG GLU A 96 10.454 -1.170 3.463 1.00 0.00 C ATOM 1473 CD GLU A 96 11.743 -0.481 3.060 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.789 0.767 3.110 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.706 -1.187 2.696 1.00 0.00 O ATOM 0 H GLU A 96 7.848 -0.039 4.001 1.00 0.00 H new ATOM 0 HA GLU A 96 9.640 1.010 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.577 -1.779 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.816 -1.451 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.071 -0.711 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.662 -2.215 3.695 1.00 0.00 H new ATOM 1482 N ILE A 97 6.839 -0.381 0.949 1.00 0.00 N ATOM 1483 CA ILE A 97 5.931 -0.436 -0.189 1.00 0.00 C ATOM 1484 C ILE A 97 5.509 0.964 -0.624 1.00 0.00 C ATOM 1485 O ILE A 97 5.441 1.261 -1.817 1.00 0.00 O ATOM 1486 CB ILE A 97 4.672 -1.261 0.135 1.00 0.00 C ATOM 1487 CG1 ILE A 97 5.062 -2.665 0.603 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.760 -1.337 -1.081 1.00 0.00 C ATOM 1489 CD1 ILE A 97 4.010 -3.330 1.462 1.00 0.00 C ATOM 0 H ILE A 97 6.540 -0.931 1.754 1.00 0.00 H new ATOM 0 HA ILE A 97 6.473 -0.919 -1.002 1.00 0.00 H new ATOM 0 HB ILE A 97 4.130 -0.767 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.255 -3.289 -0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.994 -2.606 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.875 -1.924 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.459 -0.331 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.292 -1.811 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.354 -4.321 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.833 -2.727 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.083 -3.421 0.896 1.00 0.00 H new ATOM 1501 N PHE A 98 5.229 1.821 0.352 1.00 0.00 N ATOM 1502 CA PHE A 98 4.814 3.191 0.070 1.00 0.00 C ATOM 1503 C PHE A 98 5.936 3.968 -0.613 1.00 0.00 C ATOM 1504 O PHE A 98 5.782 4.440 -1.739 1.00 0.00 O ATOM 1505 CB PHE A 98 4.403 3.897 1.363 1.00 0.00 C ATOM 1506 CG PHE A 98 4.147 5.367 1.188 1.00 0.00 C ATOM 1507 CD1 PHE A 98 2.885 5.829 0.849 1.00 0.00 C ATOM 1508 CD2 PHE A 98 5.168 6.287 1.362 1.00 0.00 C ATOM 1509 CE1 PHE A 98 2.646 7.180 0.687 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.935 7.640 1.202 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.673 8.087 0.863 1.00 0.00 C ATOM 0 H PHE A 98 5.282 1.592 1.345 1.00 0.00 H new ATOM 0 HA PHE A 98 3.958 3.155 -0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.503 3.424 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.187 3.759 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.079 5.124 0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.157 5.943 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.658 7.527 0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.739 8.347 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.489 9.144 0.736 1.00 0.00 H new ATOM 1521 N ASN A 99 7.064 4.098 0.078 1.00 0.00 N ATOM 1522 CA ASN A 99 8.211 4.820 -0.461 1.00 0.00 C ATOM 1523 C ASN A 99 8.572 4.306 -1.851 1.00 0.00 C ATOM 1524 O ASN A 99 8.864 5.088 -2.757 1.00 0.00 O ATOM 1525 CB ASN A 99 9.413 4.679 0.475 1.00 0.00 C ATOM 1526 CG ASN A 99 9.170 5.318 1.829 1.00 0.00 C ATOM 1527 OD1 ASN A 99 8.397 6.269 1.949 1.00 0.00 O ATOM 1528 ND2 ASN A 99 9.831 4.798 2.856 1.00 0.00 N ATOM 0 H ASN A 99 7.208 3.713 1.012 1.00 0.00 H new ATOM 0 HA ASN A 99 7.942 5.873 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.642 3.622 0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.287 5.137 0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.708 5.187 3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.462 4.010 2.710 1.00 0.00 H new ATOM 1535 N LEU A 100 8.550 2.988 -2.013 1.00 0.00 N ATOM 1536 CA LEU A 100 8.875 2.369 -3.294 1.00 0.00 C ATOM 1537 C LEU A 100 7.849 2.748 -4.357 1.00 0.00 C ATOM 1538 O LEU A 100 8.200 3.273 -5.415 1.00 0.00 O ATOM 1539 CB LEU A 100 8.935 0.848 -3.147 1.00 0.00 C ATOM 1540 CG LEU A 100 8.944 0.047 -4.449 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.004 0.584 -5.399 1.00 0.00 C ATOM 1542 CD2 LEU A 100 9.178 -1.429 -4.166 1.00 0.00 C ATOM 0 H LEU A 100 8.311 2.327 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 100 9.851 2.736 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.831 0.593 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.080 0.527 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 100 7.970 0.155 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.996 0.002 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.792 1.628 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.985 0.507 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.181 -1.983 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.138 -1.556 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.382 -1.807 -3.524 1.00 0.00 H new ATOM 1554 N LEU A 101 6.580 2.481 -4.070 1.00 0.00 N ATOM 1555 CA LEU A 101 5.502 2.796 -5.000 1.00 0.00 C ATOM 1556 C LEU A 101 5.664 4.203 -5.566 1.00 0.00 C ATOM 1557 O LEU A 101 5.757 4.387 -6.779 1.00 0.00 O ATOM 1558 CB LEU A 101 4.146 2.668 -4.303 1.00 0.00 C ATOM 1559 CG LEU A 101 2.916 2.927 -5.174 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.692 1.772 -6.138 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.686 3.148 -4.307 1.00 0.00 C ATOM 0 H LEU A 101 6.272 2.047 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 101 5.549 2.085 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.067 1.663 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.125 3.363 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 101 3.091 3.831 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.813 1.974 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.564 1.661 -6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.538 0.852 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.820 3.331 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.507 2.263 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.848 4.009 -3.659 1.00 0.00 H new ATOM 1573 N GLN A 102 5.701 5.192 -4.678 1.00 0.00 N ATOM 1574 CA GLN A 102 5.854 6.582 -5.089 1.00 0.00 C ATOM 1575 C GLN A 102 7.215 6.811 -5.738 1.00 0.00 C ATOM 1576 O GLN A 102 7.388 7.735 -6.533 1.00 0.00 O ATOM 1577 CB GLN A 102 5.685 7.514 -3.888 1.00 0.00 C ATOM 1578 CG GLN A 102 6.854 7.472 -2.917 1.00 0.00 C ATOM 1579 CD GLN A 102 6.895 8.679 -2.001 1.00 0.00 C ATOM 1580 OE1 GLN A 102 5.940 8.954 -1.274 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.005 9.407 -2.030 1.00 0.00 N ATOM 0 H GLN A 102 5.627 5.056 -3.670 1.00 0.00 H new ATOM 0 HA GLN A 102 5.080 6.804 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.557 8.535 -4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.772 7.246 -3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.789 6.566 -2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.786 7.415 -3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.772 9.143 -2.648 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.090 10.231 -1.434 1.00 0.00 H new ATOM 1590 N ASP A 103 8.179 5.965 -5.393 1.00 0.00 N ATOM 1591 CA ASP A 103 9.526 6.074 -5.941 1.00 0.00 C ATOM 1592 C ASP A 103 9.570 5.562 -7.378 1.00 0.00 C ATOM 1593 O ASP A 103 10.494 5.873 -8.131 1.00 0.00 O ATOM 1594 CB ASP A 103 10.517 5.293 -5.077 1.00 0.00 C ATOM 1595 CG ASP A 103 11.094 6.133 -3.955 1.00 0.00 C ATOM 1596 OD1 ASP A 103 10.359 6.984 -3.412 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.281 5.939 -3.620 1.00 0.00 O ATOM 0 H ASP A 103 8.053 5.195 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 103 9.808 7.127 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.018 4.421 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.328 4.923 -5.704 1.00 0.00 H new ATOM 1602 N LEU A 104 8.567 4.775 -7.751 1.00 0.00 N ATOM 1603 CA LEU A 104 8.492 4.218 -9.097 1.00 0.00 C ATOM 1604 C LEU A 104 7.730 5.153 -10.031 1.00 0.00 C ATOM 1605 O LEU A 104 8.147 5.389 -11.165 1.00 0.00 O ATOM 1606 CB LEU A 104 7.816 2.847 -9.066 1.00 0.00 C ATOM 1607 CG LEU A 104 8.522 1.769 -8.243 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.573 0.620 -7.941 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.758 1.264 -8.974 1.00 0.00 C ATOM 0 H LEU A 104 7.795 4.508 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 104 9.508 4.106 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.806 2.971 -8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.720 2.488 -10.091 1.00 0.00 H new ATOM 0 HG LEU A 104 8.838 2.210 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.093 -0.137 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.719 0.993 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.226 0.180 -8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.248 0.497 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.465 0.840 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.448 2.092 -9.138 1.00 0.00 H new ATOM 1621 N MET A 105 6.611 5.682 -9.546 1.00 0.00 N ATOM 1622 CA MET A 105 5.792 6.594 -10.337 1.00 0.00 C ATOM 1623 C MET A 105 6.512 7.921 -10.554 1.00 0.00 C ATOM 1624 O MET A 105 6.235 8.637 -11.516 1.00 0.00 O ATOM 1625 CB MET A 105 4.449 6.836 -9.646 1.00 0.00 C ATOM 1626 CG MET A 105 4.566 7.037 -8.144 1.00 0.00 C ATOM 1627 SD MET A 105 3.161 7.931 -7.451 1.00 0.00 S ATOM 1628 CE MET A 105 1.801 6.907 -8.007 1.00 0.00 C ATOM 0 H MET A 105 6.251 5.495 -8.610 1.00 0.00 H new ATOM 0 HA MET A 105 5.615 6.134 -11.309 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.976 7.714 -10.086 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.792 5.989 -9.841 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.650 6.066 -7.657 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.483 7.583 -7.925 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.879 7.235 -7.528 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.699 6.994 -9.089 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.997 5.868 -7.743 1.00 0.00 H new ATOM 1638 N GLN A 106 7.436 8.243 -9.654 1.00 0.00 N ATOM 1639 CA GLN A 106 8.193 9.485 -9.749 1.00 0.00 C ATOM 1640 C GLN A 106 9.490 9.274 -10.523 1.00 0.00 C ATOM 1641 O GLN A 106 9.853 10.084 -11.377 1.00 0.00 O ATOM 1642 CB GLN A 106 8.502 10.027 -8.352 1.00 0.00 C ATOM 1643 CG GLN A 106 9.753 9.427 -7.730 1.00 0.00 C ATOM 1644 CD GLN A 106 10.119 10.079 -6.411 1.00 0.00 C ATOM 1645 OE1 GLN A 106 9.794 9.565 -5.340 1.00 0.00 O ATOM 1646 NE2 GLN A 106 10.799 11.218 -6.482 1.00 0.00 N ATOM 0 H GLN A 106 7.678 7.661 -8.852 1.00 0.00 H new ATOM 0 HA GLN A 106 7.584 10.212 -10.287 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.618 11.109 -8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.652 9.831 -7.699 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.600 8.359 -7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.586 9.531 -8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.047 11.608 -7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.073 11.703 -5.627 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.561 -6.033 -0.371 1.00 0.00 N ATOM 2023 CA PHE A 136 -13.395 -5.217 0.503 1.00 0.00 C ATOM 2024 C PHE A 136 -13.110 -3.732 0.295 1.00 0.00 C ATOM 2025 O PHE A 136 -11.991 -3.267 0.513 1.00 0.00 O ATOM 2026 CB PHE A 136 -13.158 -5.593 1.967 1.00 0.00 C ATOM 2027 CG PHE A 136 -14.111 -4.928 2.918 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -15.314 -5.530 3.249 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -13.804 -3.700 3.483 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -16.193 -4.920 4.124 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -14.679 -3.085 4.358 1.00 0.00 C ATOM 2032 CZ PHE A 136 -15.874 -3.696 4.680 1.00 0.00 C ATOM 0 HA PHE A 136 -14.438 -5.408 0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -13.245 -6.674 2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -12.138 -5.326 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -15.568 -6.487 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.870 -3.218 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -17.128 -5.400 4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -14.428 -2.127 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.558 -3.218 5.365 1.00 0.00 H new ATOM 2042 N ARG A 137 -14.131 -2.994 -0.128 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.990 -1.562 -0.368 1.00 0.00 C ATOM 2044 C ARG A 137 -14.262 -0.769 0.907 1.00 0.00 C ATOM 2045 O ARG A 137 -15.227 -1.036 1.624 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.946 -1.112 -1.474 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.385 -1.294 -2.875 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.489 -1.307 -3.920 1.00 0.00 C ATOM 2049 NE ARG A 137 -15.084 -2.007 -5.136 1.00 0.00 N ATOM 2050 CZ ARG A 137 -14.890 -3.319 -5.198 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -15.064 -4.071 -4.120 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -14.522 -3.884 -6.342 1.00 0.00 N ATOM 0 H ARG A 137 -15.064 -3.363 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.964 -1.371 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.877 -1.673 -1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -15.193 -0.061 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.684 -0.489 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.824 -2.227 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -16.376 -1.786 -3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -15.766 -0.282 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.942 -1.458 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -15.348 -3.642 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -14.914 -5.079 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.388 -3.310 -7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.373 -4.892 -6.388 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.404 0.207 1.184 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.550 1.040 2.373 1.00 0.00 C ATOM 2068 C LEU A 138 -14.292 2.332 2.045 1.00 0.00 C ATOM 2069 O LEU A 138 -13.924 3.052 1.116 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.178 1.363 2.965 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.335 0.164 3.400 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -9.978 0.622 3.911 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.064 -0.641 4.467 1.00 0.00 C ATOM 0 H LEU A 138 -12.600 0.441 0.602 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.133 0.484 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.611 1.932 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.321 2.013 3.828 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.176 -0.477 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.392 -0.245 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.452 1.155 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.116 1.285 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.450 -1.491 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.253 -0.008 5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.012 -1.001 4.067 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.337 2.620 2.814 1.00 0.00 N ATOM 2086 CA ARG A 139 -16.130 3.826 2.606 1.00 0.00 C ATOM 2087 C ARG A 139 -15.252 5.072 2.677 1.00 0.00 C ATOM 2088 O ARG A 139 -15.428 6.013 1.901 1.00 0.00 O ATOM 2089 CB ARG A 139 -17.245 3.915 3.649 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.382 2.935 3.409 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.614 3.301 4.222 1.00 0.00 C ATOM 2092 NE ARG A 139 -19.479 2.917 5.625 1.00 0.00 N ATOM 2093 CZ ARG A 139 -20.492 2.898 6.483 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -21.709 3.240 6.083 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -20.290 2.537 7.743 1.00 0.00 N ATOM 0 H ARG A 139 -15.654 2.035 3.587 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.575 3.772 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.822 3.733 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.645 4.929 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -18.635 2.922 2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -18.057 1.928 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.786 4.375 4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -20.489 2.811 3.795 1.00 0.00 H new ATOM 0 HE ARG A 139 -18.555 2.649 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -21.868 3.518 5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -22.486 3.225 6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -19.355 2.273 8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -21.069 2.523 8.401 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.307 5.073 3.611 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.402 6.203 3.784 1.00 0.00 C ATOM 2111 C HIS A 140 -11.950 5.737 3.811 1.00 0.00 C ATOM 2112 O HIS A 140 -11.672 4.538 3.804 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.733 6.957 5.072 1.00 0.00 C ATOM 2114 CG HIS A 140 -13.770 6.080 6.286 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -12.670 5.859 7.088 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -14.782 5.369 6.835 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -13.004 5.049 8.076 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -14.281 4.737 7.946 1.00 0.00 N ATOM 0 H HIS A 140 -14.148 4.303 4.261 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.533 6.875 2.936 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -12.993 7.743 5.224 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -14.700 7.447 4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -15.796 5.310 6.467 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -12.345 4.701 8.858 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -14.809 4.126 8.569 1.00 0.00 H new ATOM 2127 N PHE A 141 -11.027 6.693 3.842 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.603 6.381 3.869 1.00 0.00 C ATOM 2129 C PHE A 141 -9.098 6.271 5.305 1.00 0.00 C ATOM 2130 O PHE A 141 -9.126 7.231 6.075 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.810 7.452 3.118 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.543 6.935 2.499 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.585 5.971 1.504 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.310 7.414 2.911 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.420 5.494 0.933 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.141 6.940 2.343 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.197 5.980 1.353 1.00 0.00 C ATOM 0 H PHE A 141 -11.240 7.690 3.849 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.458 5.420 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.439 7.878 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.565 8.261 3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.538 5.588 1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.261 8.166 3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.466 4.742 0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.186 7.321 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.286 5.609 0.907 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.624 5.072 5.675 1.00 0.00 N ATOM 2148 CA PRO A 142 -8.103 4.807 7.019 1.00 0.00 C ATOM 2149 C PRO A 142 -6.780 5.519 7.279 1.00 0.00 C ATOM 2150 O PRO A 142 -6.611 6.181 8.303 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.905 3.289 7.030 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.715 2.922 5.599 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.560 3.882 4.809 1.00 0.00 C ATOM 0 HA PRO A 142 -8.777 5.168 7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -7.039 3.007 7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.769 2.780 7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.666 2.999 5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -8.021 1.892 5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -8.111 4.112 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.552 3.475 4.611 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.845 5.379 6.345 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.536 6.009 6.474 1.00 0.00 C ATOM 2163 C CYS A 143 -4.667 7.526 6.545 1.00 0.00 C ATOM 2164 O CYS A 143 -5.722 8.083 6.244 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.641 5.617 5.297 1.00 0.00 C ATOM 2166 SG CYS A 143 -3.427 3.833 5.093 1.00 0.00 S ATOM 0 H CYS A 143 -5.969 4.835 5.491 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.081 5.658 7.400 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -4.064 6.028 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.662 6.077 5.431 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.284 3.473 5.596 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.588 8.191 6.948 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.605 9.638 7.054 1.00 0.00 C ATOM 2174 C GLY A 144 -2.712 10.305 6.026 1.00 0.00 C ATOM 2175 O GLY A 144 -3.167 11.147 5.253 1.00 0.00 O ATOM 0 H GLY A 144 -2.703 7.753 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.627 9.996 6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.284 9.930 8.054 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.437 9.928 6.019 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.478 10.498 5.079 1.00 0.00 C ATOM 2181 C ASN A 145 -0.804 10.080 3.649 1.00 0.00 C ATOM 2182 O ASN A 145 -0.395 9.012 3.193 1.00 0.00 O ATOM 2183 CB ASN A 145 0.942 10.058 5.439 1.00 0.00 C ATOM 2184 CG ASN A 145 1.168 10.001 6.938 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.346 11.030 7.590 1.00 0.00 O ATOM 2186 ND2 ASN A 145 1.161 8.794 7.491 1.00 0.00 N ATOM 0 H ASN A 145 -1.045 9.232 6.653 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.543 11.584 5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 145 1.135 9.076 5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.657 10.749 4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.307 8.692 8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 145 1.010 7.968 6.911 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.544 10.931 2.944 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.924 10.652 1.564 1.00 0.00 C ATOM 2195 C VAL A 146 -1.051 11.430 0.586 1.00 0.00 C ATOM 2196 O VAL A 146 -0.839 12.631 0.747 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.402 11.002 1.307 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.758 10.778 -0.154 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.308 10.185 2.216 1.00 0.00 C ATOM 0 H VAL A 146 -1.892 11.819 3.306 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.779 9.583 1.405 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.552 12.057 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.806 11.031 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -3.131 11.410 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.593 9.732 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.349 10.445 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.157 9.123 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.069 10.401 3.257 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.548 10.737 -0.431 1.00 0.00 N ATOM 2210 CA ASN A 147 0.302 11.363 -1.437 1.00 0.00 C ATOM 2211 C ASN A 147 -0.439 11.506 -2.763 1.00 0.00 C ATOM 2212 O ASN A 147 -1.592 11.095 -2.889 1.00 0.00 O ATOM 2213 CB ASN A 147 1.578 10.543 -1.638 1.00 0.00 C ATOM 2214 CG ASN A 147 2.698 10.979 -0.713 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.474 11.719 0.245 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.911 10.522 -0.997 1.00 0.00 N ATOM 0 H ASN A 147 -0.715 9.742 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 147 0.570 12.358 -1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.360 9.489 -1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.908 10.637 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.704 10.782 -0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 147 4.050 9.911 -1.802 1.00 0.00 H new ATOM 2223 N TYR A 148 0.232 12.091 -3.749 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.363 12.290 -5.065 1.00 0.00 C ATOM 2225 C TYR A 148 0.636 11.959 -6.170 1.00 0.00 C ATOM 2226 O TYR A 148 1.713 12.548 -6.245 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.847 13.733 -5.216 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.679 14.217 -4.050 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.839 13.552 -3.673 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -1.303 15.341 -3.323 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.601 13.992 -2.609 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -2.059 15.787 -2.256 1.00 0.00 C ATOM 2233 CZ TYR A 148 -3.207 15.110 -1.903 1.00 0.00 C ATOM 2234 OH TYR A 148 -3.963 15.550 -0.841 1.00 0.00 O ATOM 0 H TYR A 148 1.188 12.436 -3.662 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.215 11.616 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 148 0.017 14.387 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -1.434 13.817 -6.130 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -3.150 12.675 -4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -0.405 15.874 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.501 13.464 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -1.752 16.661 -1.701 1.00 0.00 H new ATOM 0 HH TYR A 148 -3.547 16.347 -0.452 1.00 0.00 H new ATOM 2244 N GLY A 149 0.269 11.010 -7.026 1.00 0.00 N ATOM 2245 CA GLY A 149 1.142 10.616 -8.116 1.00 0.00 C ATOM 2246 C GLY A 149 0.857 11.382 -9.393 1.00 0.00 C ATOM 2247 O GLY A 149 1.284 12.526 -9.548 1.00 0.00 O ATOM 0 H GLY A 149 -0.617 10.507 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.179 10.777 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.026 9.548 -8.303 1.00 0.00 H new