USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 499 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 19 THR OG1 : rot -63:sc= 0.677 USER MOD Set 1.2: A 22 ASN : amide:sc= -0.16 X(o=-0.89,f=-1.3) USER MOD Set 1.3: A 23 GLN : amide:sc= -1.41 K(o=-0.89,f=-2.4!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 18 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.5!) USER MOD Single : A 28 THR OG1 : rot 22:sc= -1.14! USER MOD Single : A 31 ASN : amide:sc= -0.941! C(o=-0.94!,f=-7.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.0067) USER MOD Single : A 38 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.25) USER MOD Single : A 41 LYS NZ :NH3+ 141:sc= -0.339 (180deg=-1.99!) USER MOD Single : A 43 SER OG : rot 174:sc= -1.08! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.63) USER MOD Single : A 109 SER OG : rot 84:sc= -0.535! USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -4.08! K(o=-4.1!,f=0.19) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 70:sc= 0.705 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -11.823 -53.946 8.368 1.00 0.00 N ATOM 251 CA GLN A 17 -11.761 -54.876 7.245 1.00 0.00 C ATOM 252 C GLN A 17 -10.369 -55.492 7.140 1.00 0.00 C ATOM 253 O GLN A 17 -10.216 -56.640 6.722 1.00 0.00 O ATOM 254 CB GLN A 17 -12.094 -54.147 5.941 1.00 0.00 C ATOM 255 CG GLN A 17 -13.520 -54.493 5.507 1.00 0.00 C ATOM 256 CD GLN A 17 -13.807 -53.896 4.133 1.00 0.00 C ATOM 257 OE1 GLN A 17 -13.567 -54.541 3.112 1.00 0.00 O ATOM 258 NE2 GLN A 17 -14.308 -52.694 4.045 1.00 0.00 N ATOM 0 HA GLN A 17 -12.490 -55.669 7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.997 -53.070 6.080 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.387 -54.433 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -13.647 -55.575 5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -14.234 -54.109 6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.506 -52.161 4.892 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.501 -52.288 3.130 1.00 0.00 H new ATOM 267 N GLN A 18 -9.356 -54.719 7.519 1.00 0.00 N ATOM 268 CA GLN A 18 -7.980 -55.196 7.459 1.00 0.00 C ATOM 269 C GLN A 18 -7.802 -56.433 8.332 1.00 0.00 C ATOM 270 O GLN A 18 -7.347 -57.476 7.863 1.00 0.00 O ATOM 271 CB GLN A 18 -7.025 -54.097 7.926 1.00 0.00 C ATOM 272 CG GLN A 18 -6.547 -53.292 6.717 1.00 0.00 C ATOM 273 CD GLN A 18 -5.309 -53.945 6.110 1.00 0.00 C ATOM 274 OE1 GLN A 18 -4.827 -54.957 6.618 1.00 0.00 O ATOM 275 NE2 GLN A 18 -4.764 -53.422 5.046 1.00 0.00 N ATOM 0 H GLN A 18 -9.461 -53.766 7.868 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.752 -55.460 6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.527 -53.442 8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.173 -54.537 8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.340 -53.235 5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.318 -52.270 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.166 -52.583 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.936 -53.852 4.633 1.00 0.00 H new ATOM 284 N THR A 19 -8.161 -56.310 9.606 1.00 0.00 N ATOM 285 CA THR A 19 -8.032 -57.428 10.533 1.00 0.00 C ATOM 286 C THR A 19 -9.019 -58.524 10.177 1.00 0.00 C ATOM 287 O THR A 19 -8.664 -59.699 10.085 1.00 0.00 O ATOM 288 CB THR A 19 -8.264 -56.944 11.970 1.00 0.00 C ATOM 289 OG1 THR A 19 -7.397 -57.645 12.848 1.00 0.00 O ATOM 290 CG2 THR A 19 -9.718 -57.184 12.391 1.00 0.00 C ATOM 0 H THR A 19 -8.540 -55.457 10.017 1.00 0.00 H new ATOM 0 HA THR A 19 -7.024 -57.836 10.458 1.00 0.00 H new ATOM 0 HB THR A 19 -8.058 -55.875 12.018 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.612 -58.601 12.826 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.863 -56.834 13.413 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.385 -56.639 11.723 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.941 -58.250 12.337 1.00 0.00 H new ATOM 298 N PHE A 20 -10.253 -58.119 9.975 1.00 0.00 N ATOM 299 CA PHE A 20 -11.309 -59.054 9.621 1.00 0.00 C ATOM 300 C PHE A 20 -10.835 -59.976 8.503 1.00 0.00 C ATOM 301 O PHE A 20 -10.775 -61.191 8.670 1.00 0.00 O ATOM 302 CB PHE A 20 -12.549 -58.287 9.164 1.00 0.00 C ATOM 303 CG PHE A 20 -13.622 -59.263 8.753 1.00 0.00 C ATOM 304 CD1 PHE A 20 -13.613 -59.810 7.464 1.00 0.00 C ATOM 305 CD2 PHE A 20 -14.628 -59.619 9.658 1.00 0.00 C ATOM 306 CE1 PHE A 20 -14.609 -60.713 7.081 1.00 0.00 C ATOM 307 CE2 PHE A 20 -15.625 -60.523 9.274 1.00 0.00 C ATOM 308 CZ PHE A 20 -15.616 -61.068 7.985 1.00 0.00 C ATOM 0 H PHE A 20 -10.555 -57.148 10.049 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.559 -59.653 10.496 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -12.912 -57.649 9.970 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -12.298 -57.633 8.329 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.837 -59.534 6.766 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.635 -59.197 10.652 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.601 -61.136 6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -16.401 -60.800 9.972 1.00 0.00 H new ATOM 0 HZ PHE A 20 -16.387 -61.763 7.688 1.00 0.00 H new ATOM 318 N LEU A 21 -10.488 -59.383 7.368 1.00 0.00 N ATOM 319 CA LEU A 21 -10.006 -60.155 6.227 1.00 0.00 C ATOM 320 C LEU A 21 -8.722 -60.884 6.598 1.00 0.00 C ATOM 321 O LEU A 21 -8.612 -62.097 6.416 1.00 0.00 O ATOM 322 CB LEU A 21 -9.744 -59.237 5.029 1.00 0.00 C ATOM 323 CG LEU A 21 -11.040 -58.537 4.609 1.00 0.00 C ATOM 324 CD1 LEU A 21 -10.702 -57.275 3.814 1.00 0.00 C ATOM 325 CD2 LEU A 21 -11.873 -59.477 3.731 1.00 0.00 C ATOM 0 H LEU A 21 -10.530 -58.376 7.212 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.772 -60.882 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.988 -58.495 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.349 -59.818 4.196 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.609 -58.270 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.624 -56.776 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.110 -56.602 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.131 -57.546 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.794 -58.976 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.303 -59.745 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.115 -60.379 4.292 1.00 0.00 H new ATOM 337 N ASN A 22 -7.755 -60.140 7.128 1.00 0.00 N ATOM 338 CA ASN A 22 -6.489 -60.739 7.527 1.00 0.00 C ATOM 339 C ASN A 22 -6.754 -62.028 8.291 1.00 0.00 C ATOM 340 O ASN A 22 -5.985 -62.985 8.205 1.00 0.00 O ATOM 341 CB ASN A 22 -5.703 -59.768 8.411 1.00 0.00 C ATOM 342 CG ASN A 22 -4.325 -60.343 8.719 1.00 0.00 C ATOM 343 OD1 ASN A 22 -4.040 -60.696 9.863 1.00 0.00 O ATOM 344 ND2 ASN A 22 -3.448 -60.460 7.760 1.00 0.00 N ATOM 0 H ASN A 22 -7.823 -59.135 7.289 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.902 -60.959 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.601 -58.806 7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.246 -59.586 9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.524 -60.845 7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.686 -60.167 6.813 1.00 0.00 H new ATOM 351 N GLN A 23 -7.862 -62.049 9.025 1.00 0.00 N ATOM 352 CA GLN A 23 -8.227 -63.236 9.785 1.00 0.00 C ATOM 353 C GLN A 23 -8.690 -64.334 8.839 1.00 0.00 C ATOM 354 O GLN A 23 -8.231 -65.470 8.932 1.00 0.00 O ATOM 355 CB GLN A 23 -9.337 -62.917 10.792 1.00 0.00 C ATOM 356 CG GLN A 23 -8.717 -62.679 12.169 1.00 0.00 C ATOM 357 CD GLN A 23 -7.917 -61.382 12.160 1.00 0.00 C ATOM 358 OE1 GLN A 23 -8.458 -60.315 12.447 1.00 0.00 O ATOM 359 NE2 GLN A 23 -6.651 -61.410 11.843 1.00 0.00 N ATOM 0 H GLN A 23 -8.514 -61.269 9.109 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.349 -63.577 10.334 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.891 -62.034 10.472 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.049 -63.741 10.839 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.500 -62.629 12.926 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.069 -63.514 12.435 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.204 -62.296 11.605 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.109 -60.546 11.833 1.00 0.00 H new ATOM 368 N LEU A 24 -9.592 -63.991 7.918 1.00 0.00 N ATOM 369 CA LEU A 24 -10.087 -64.969 6.960 1.00 0.00 C ATOM 370 C LEU A 24 -8.915 -65.764 6.403 1.00 0.00 C ATOM 371 O LEU A 24 -9.069 -66.906 5.985 1.00 0.00 O ATOM 372 CB LEU A 24 -10.844 -64.271 5.824 1.00 0.00 C ATOM 373 CG LEU A 24 -12.345 -64.200 6.155 1.00 0.00 C ATOM 374 CD1 LEU A 24 -12.647 -62.900 6.902 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.164 -64.236 4.863 1.00 0.00 C ATOM 0 H LEU A 24 -9.987 -63.056 7.819 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.777 -65.646 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.448 -63.266 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.695 -64.813 4.890 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.610 -65.053 6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.711 -62.853 7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.071 -62.870 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.374 -62.050 6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.226 -64.185 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.893 -63.386 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.957 -65.162 4.327 1.00 0.00 H new ATOM 387 N ARG A 25 -7.739 -65.151 6.423 1.00 0.00 N ATOM 388 CA ARG A 25 -6.531 -65.813 5.951 1.00 0.00 C ATOM 389 C ARG A 25 -5.881 -66.589 7.103 1.00 0.00 C ATOM 390 O ARG A 25 -5.114 -67.526 6.885 1.00 0.00 O ATOM 391 CB ARG A 25 -5.554 -64.764 5.388 1.00 0.00 C ATOM 392 CG ARG A 25 -4.136 -65.005 5.924 1.00 0.00 C ATOM 393 CD ARG A 25 -3.148 -64.101 5.184 1.00 0.00 C ATOM 394 NE ARG A 25 -3.762 -62.810 4.897 1.00 0.00 N ATOM 395 CZ ARG A 25 -3.022 -61.727 4.689 1.00 0.00 C ATOM 396 NH1 ARG A 25 -1.720 -61.804 4.745 1.00 0.00 N ATOM 397 NH2 ARG A 25 -3.596 -60.584 4.432 1.00 0.00 N ATOM 0 H ARG A 25 -7.596 -64.199 6.760 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.786 -66.516 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.550 -64.810 4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.888 -63.763 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.101 -64.800 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.858 -66.051 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.252 -63.959 5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.834 -64.577 4.255 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.779 -62.737 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.270 -62.697 4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.153 -60.972 4.585 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.613 -60.522 4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.027 -59.752 4.272 1.00 0.00 H new ATOM 411 N GLU A 26 -6.169 -66.149 8.326 1.00 0.00 N ATOM 412 CA GLU A 26 -5.589 -66.754 9.525 1.00 0.00 C ATOM 413 C GLU A 26 -6.381 -67.958 10.059 1.00 0.00 C ATOM 414 O GLU A 26 -5.821 -69.042 10.224 1.00 0.00 O ATOM 415 CB GLU A 26 -5.501 -65.691 10.622 1.00 0.00 C ATOM 416 CG GLU A 26 -4.551 -66.159 11.725 1.00 0.00 C ATOM 417 CD GLU A 26 -5.349 -66.600 12.948 1.00 0.00 C ATOM 418 OE1 GLU A 26 -6.397 -66.024 13.189 1.00 0.00 O ATOM 419 OE2 GLU A 26 -4.897 -67.509 13.628 1.00 0.00 O ATOM 0 H GLU A 26 -6.803 -65.372 8.514 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.605 -67.128 9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.148 -64.750 10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.491 -65.503 11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.939 -66.985 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.870 -65.352 11.996 1.00 0.00 H new ATOM 426 N ILE A 27 -7.662 -67.761 10.378 1.00 0.00 N ATOM 427 CA ILE A 27 -8.467 -68.854 10.947 1.00 0.00 C ATOM 428 C ILE A 27 -8.406 -70.096 10.067 1.00 0.00 C ATOM 429 O ILE A 27 -7.984 -71.163 10.511 1.00 0.00 O ATOM 430 CB ILE A 27 -9.950 -68.452 11.111 1.00 0.00 C ATOM 431 CG1 ILE A 27 -10.120 -66.936 11.084 1.00 0.00 C ATOM 432 CG2 ILE A 27 -10.508 -68.978 12.432 1.00 0.00 C ATOM 433 CD1 ILE A 27 -10.587 -66.532 9.693 1.00 0.00 C ATOM 0 H ILE A 27 -8.159 -66.878 10.258 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.041 -69.068 11.927 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.495 -68.891 10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.846 -66.622 11.834 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.178 -66.444 11.326 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.553 -68.684 12.528 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.433 -70.065 12.451 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.936 -68.560 13.261 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.715 -65.450 9.652 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.844 -66.838 8.957 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.537 -67.018 9.473 1.00 0.00 H new ATOM 445 N THR A 28 -8.841 -69.952 8.822 1.00 0.00 N ATOM 446 CA THR A 28 -8.848 -71.074 7.892 1.00 0.00 C ATOM 447 C THR A 28 -7.470 -71.263 7.260 1.00 0.00 C ATOM 448 O THR A 28 -7.240 -72.226 6.528 1.00 0.00 O ATOM 449 CB THR A 28 -9.899 -70.832 6.808 1.00 0.00 C ATOM 450 OG1 THR A 28 -9.480 -71.434 5.591 1.00 0.00 O ATOM 451 CG2 THR A 28 -10.074 -69.327 6.611 1.00 0.00 C ATOM 0 H THR A 28 -9.191 -69.076 8.435 1.00 0.00 H new ATOM 0 HA THR A 28 -9.096 -71.983 8.440 1.00 0.00 H new ATOM 0 HB THR A 28 -10.849 -71.273 7.111 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.830 -72.142 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.822 -69.146 5.839 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.400 -68.873 7.547 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.124 -68.887 6.306 1.00 0.00 H new ATOM 459 N GLY A 29 -6.553 -70.349 7.560 1.00 0.00 N ATOM 460 CA GLY A 29 -5.195 -70.436 7.028 1.00 0.00 C ATOM 461 C GLY A 29 -5.158 -70.199 5.519 1.00 0.00 C ATOM 462 O GLY A 29 -4.327 -70.774 4.817 1.00 0.00 O ATOM 0 H GLY A 29 -6.722 -69.545 8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.562 -69.702 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.780 -71.419 7.251 1.00 0.00 H new ATOM 466 N ILE A 30 -6.056 -69.352 5.025 1.00 0.00 N ATOM 467 CA ILE A 30 -6.101 -69.057 3.594 1.00 0.00 C ATOM 468 C ILE A 30 -5.171 -67.894 3.254 1.00 0.00 C ATOM 469 O ILE A 30 -4.891 -67.045 4.100 1.00 0.00 O ATOM 470 CB ILE A 30 -7.532 -68.712 3.178 1.00 0.00 C ATOM 471 CG1 ILE A 30 -8.430 -69.936 3.376 1.00 0.00 C ATOM 472 CG2 ILE A 30 -7.554 -68.296 1.707 1.00 0.00 C ATOM 473 CD1 ILE A 30 -8.452 -70.783 2.100 1.00 0.00 C ATOM 0 H ILE A 30 -6.754 -68.863 5.585 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.768 -69.940 3.049 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.898 -67.889 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.066 -70.533 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.442 -69.618 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.575 -68.051 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.916 -67.423 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.187 -69.117 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.093 -71.651 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.838 -70.186 1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.441 -71.115 1.866 1.00 0.00 H new ATOM 485 N ASN A 31 -4.694 -67.862 2.011 1.00 0.00 N ATOM 486 CA ASN A 31 -3.793 -66.798 1.575 1.00 0.00 C ATOM 487 C ASN A 31 -4.502 -65.841 0.620 1.00 0.00 C ATOM 488 O ASN A 31 -4.528 -64.631 0.847 1.00 0.00 O ATOM 489 CB ASN A 31 -2.568 -67.396 0.880 1.00 0.00 C ATOM 490 CG ASN A 31 -2.963 -68.651 0.107 1.00 0.00 C ATOM 491 OD1 ASN A 31 -3.709 -69.486 0.617 1.00 0.00 O ATOM 492 ND2 ASN A 31 -2.502 -68.832 -1.101 1.00 0.00 N ATOM 0 H ASN A 31 -4.914 -68.554 1.294 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.476 -66.242 2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.132 -66.663 0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.804 -67.640 1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.760 -69.668 -1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.884 -68.137 -1.520 1.00 0.00 H new ATOM 499 N ASP A 32 -5.075 -66.389 -0.446 1.00 0.00 N ATOM 500 CA ASP A 32 -5.778 -65.567 -1.426 1.00 0.00 C ATOM 501 C ASP A 32 -6.604 -64.495 -0.724 1.00 0.00 C ATOM 502 O ASP A 32 -7.686 -64.770 -0.207 1.00 0.00 O ATOM 503 CB ASP A 32 -6.692 -66.443 -2.282 1.00 0.00 C ATOM 504 CG ASP A 32 -6.306 -67.909 -2.123 1.00 0.00 C ATOM 505 OD1 ASP A 32 -6.721 -68.509 -1.144 1.00 0.00 O ATOM 506 OD2 ASP A 32 -5.600 -68.412 -2.981 1.00 0.00 O ATOM 0 H ASP A 32 -5.068 -67.388 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.041 -65.082 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.731 -66.298 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.615 -66.149 -3.329 1.00 0.00 H new ATOM 511 N THR A 33 -6.078 -63.275 -0.704 1.00 0.00 N ATOM 512 CA THR A 33 -6.763 -62.162 -0.054 1.00 0.00 C ATOM 513 C THR A 33 -8.055 -61.804 -0.789 1.00 0.00 C ATOM 514 O THR A 33 -8.977 -61.241 -0.197 1.00 0.00 O ATOM 515 CB THR A 33 -5.844 -60.940 -0.015 1.00 0.00 C ATOM 516 OG1 THR A 33 -4.861 -61.124 0.994 1.00 0.00 O ATOM 517 CG2 THR A 33 -6.667 -59.689 0.292 1.00 0.00 C ATOM 0 H THR A 33 -5.183 -63.032 -1.128 1.00 0.00 H new ATOM 0 HA THR A 33 -7.017 -62.467 0.961 1.00 0.00 H new ATOM 0 HB THR A 33 -5.356 -60.820 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.269 -60.343 1.020 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.011 -58.819 0.319 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.421 -59.550 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.157 -59.804 1.259 1.00 0.00 H new ATOM 525 N GLN A 34 -8.116 -62.127 -2.076 1.00 0.00 N ATOM 526 CA GLN A 34 -9.302 -61.823 -2.872 1.00 0.00 C ATOM 527 C GLN A 34 -10.484 -62.685 -2.437 1.00 0.00 C ATOM 528 O GLN A 34 -11.572 -62.173 -2.168 1.00 0.00 O ATOM 529 CB GLN A 34 -9.017 -62.064 -4.356 1.00 0.00 C ATOM 530 CG GLN A 34 -7.995 -61.040 -4.855 1.00 0.00 C ATOM 531 CD GLN A 34 -7.157 -61.646 -5.974 1.00 0.00 C ATOM 532 OE1 GLN A 34 -6.032 -62.088 -5.738 1.00 0.00 O ATOM 533 NE2 GLN A 34 -7.641 -61.694 -7.184 1.00 0.00 N ATOM 0 H GLN A 34 -7.367 -62.594 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 34 -9.554 -60.774 -2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.636 -63.075 -4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.939 -61.983 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.507 -60.148 -5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.350 -60.728 -4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.573 -61.327 -7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.087 -62.099 -7.939 1.00 0.00 H new ATOM 542 N ILE A 35 -10.267 -63.994 -2.379 1.00 0.00 N ATOM 543 CA ILE A 35 -11.324 -64.918 -1.984 1.00 0.00 C ATOM 544 C ILE A 35 -11.938 -64.507 -0.649 1.00 0.00 C ATOM 545 O ILE A 35 -13.056 -64.907 -0.322 1.00 0.00 O ATOM 546 CB ILE A 35 -10.764 -66.338 -1.878 1.00 0.00 C ATOM 547 CG1 ILE A 35 -10.166 -66.749 -3.226 1.00 0.00 C ATOM 548 CG2 ILE A 35 -11.889 -67.305 -1.506 1.00 0.00 C ATOM 549 CD1 ILE A 35 -9.305 -68.000 -3.045 1.00 0.00 C ATOM 0 H ILE A 35 -9.375 -64.437 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.103 -64.890 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.991 -66.368 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.962 -66.944 -3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.563 -65.936 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.489 -68.316 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.318 -67.012 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.662 -67.277 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.880 -68.291 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.500 -67.789 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.921 -68.813 -2.659 1.00 0.00 H new ATOM 561 N LEU A 36 -11.204 -63.712 0.123 1.00 0.00 N ATOM 562 CA LEU A 36 -11.701 -63.267 1.421 1.00 0.00 C ATOM 563 C LEU A 36 -12.670 -62.102 1.257 1.00 0.00 C ATOM 564 O LEU A 36 -13.838 -62.198 1.634 1.00 0.00 O ATOM 565 CB LEU A 36 -10.536 -62.842 2.319 1.00 0.00 C ATOM 566 CG LEU A 36 -9.376 -63.832 2.183 1.00 0.00 C ATOM 567 CD1 LEU A 36 -8.441 -63.690 3.388 1.00 0.00 C ATOM 568 CD2 LEU A 36 -9.914 -65.266 2.128 1.00 0.00 C ATOM 0 H LEU A 36 -10.276 -63.366 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.228 -64.101 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.203 -61.841 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.865 -62.796 3.357 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.831 -63.617 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.615 -64.394 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.049 -62.674 3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.993 -63.901 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.082 -65.963 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.465 -65.483 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.578 -65.373 1.270 1.00 0.00 H new ATOM 580 N GLN A 37 -12.182 -61.005 0.689 1.00 0.00 N ATOM 581 CA GLN A 37 -13.024 -59.833 0.478 1.00 0.00 C ATOM 582 C GLN A 37 -14.379 -60.274 -0.052 1.00 0.00 C ATOM 583 O GLN A 37 -15.390 -59.591 0.126 1.00 0.00 O ATOM 584 CB GLN A 37 -12.362 -58.880 -0.522 1.00 0.00 C ATOM 585 CG GLN A 37 -10.977 -58.481 -0.010 1.00 0.00 C ATOM 586 CD GLN A 37 -10.236 -57.676 -1.074 1.00 0.00 C ATOM 587 OE1 GLN A 37 -9.205 -57.069 -0.787 1.00 0.00 O ATOM 588 NE2 GLN A 37 -10.704 -57.634 -2.291 1.00 0.00 N ATOM 0 H GLN A 37 -11.219 -60.902 0.369 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.155 -59.311 1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.276 -59.361 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.980 -57.993 -0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.074 -57.891 0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.405 -59.373 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.559 -58.138 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.215 -57.097 -3.007 1.00 0.00 H new ATOM 597 N GLN A 38 -14.384 -61.434 -0.694 1.00 0.00 N ATOM 598 CA GLN A 38 -15.609 -61.996 -1.247 1.00 0.00 C ATOM 599 C GLN A 38 -16.425 -62.656 -0.142 1.00 0.00 C ATOM 600 O GLN A 38 -17.652 -62.541 -0.104 1.00 0.00 O ATOM 601 CB GLN A 38 -15.268 -63.033 -2.319 1.00 0.00 C ATOM 602 CG GLN A 38 -16.496 -63.294 -3.193 1.00 0.00 C ATOM 603 CD GLN A 38 -16.736 -64.796 -3.315 1.00 0.00 C ATOM 604 OE1 GLN A 38 -17.864 -65.228 -3.549 1.00 0.00 O ATOM 605 NE2 GLN A 38 -15.736 -65.621 -3.171 1.00 0.00 N ATOM 0 H GLN A 38 -13.552 -62.005 -0.845 1.00 0.00 H new ATOM 0 HA GLN A 38 -16.194 -61.193 -1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -14.441 -62.677 -2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -14.940 -63.961 -1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -17.371 -62.811 -2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -16.349 -62.859 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.802 -65.261 -2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -15.888 -66.626 -3.252 1.00 0.00 H new ATOM 614 N ALA A 39 -15.731 -63.339 0.764 1.00 0.00 N ATOM 615 CA ALA A 39 -16.394 -64.004 1.870 1.00 0.00 C ATOM 616 C ALA A 39 -17.083 -62.974 2.753 1.00 0.00 C ATOM 617 O ALA A 39 -18.171 -63.216 3.272 1.00 0.00 O ATOM 618 CB ALA A 39 -15.374 -64.800 2.681 1.00 0.00 C ATOM 0 H ALA A 39 -14.716 -63.443 0.751 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.145 -64.690 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.877 -65.297 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.904 -65.547 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.612 -64.125 3.071 1.00 0.00 H new ATOM 624 N LEU A 40 -16.448 -61.816 2.903 1.00 0.00 N ATOM 625 CA LEU A 40 -17.016 -60.744 3.711 1.00 0.00 C ATOM 626 C LEU A 40 -18.285 -60.213 3.055 1.00 0.00 C ATOM 627 O LEU A 40 -19.276 -59.934 3.731 1.00 0.00 O ATOM 628 CB LEU A 40 -16.000 -59.609 3.862 1.00 0.00 C ATOM 629 CG LEU A 40 -16.514 -58.594 4.887 1.00 0.00 C ATOM 630 CD1 LEU A 40 -15.363 -57.688 5.331 1.00 0.00 C ATOM 631 CD2 LEU A 40 -17.620 -57.738 4.261 1.00 0.00 C ATOM 0 H LEU A 40 -15.547 -61.597 2.479 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.262 -61.138 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.038 -60.009 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.839 -59.121 2.901 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.914 -59.128 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.729 -56.966 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.577 -58.293 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.962 -57.159 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.982 -57.018 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.223 -57.207 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.443 -58.380 3.946 1.00 0.00 H new ATOM 643 N LYS A 41 -18.254 -60.085 1.732 1.00 0.00 N ATOM 644 CA LYS A 41 -19.412 -59.598 0.998 1.00 0.00 C ATOM 645 C LYS A 41 -20.640 -60.417 1.366 1.00 0.00 C ATOM 646 O LYS A 41 -21.741 -59.884 1.500 1.00 0.00 O ATOM 647 CB LYS A 41 -19.162 -59.701 -0.508 1.00 0.00 C ATOM 648 CG LYS A 41 -18.279 -58.537 -0.965 1.00 0.00 C ATOM 649 CD LYS A 41 -19.094 -57.242 -0.959 1.00 0.00 C ATOM 650 CE LYS A 41 -18.880 -56.497 -2.278 1.00 0.00 C ATOM 651 NZ LYS A 41 -19.134 -57.423 -3.419 1.00 0.00 N ATOM 0 H LYS A 41 -17.446 -60.310 1.152 1.00 0.00 H new ATOM 0 HA LYS A 41 -19.581 -58.554 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.680 -60.650 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.110 -59.684 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.418 -58.440 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.893 -58.731 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.152 -57.467 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.792 -56.614 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.550 -55.639 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.862 -56.111 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.628 -56.912 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.229 -57.786 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.722 -58.218 -3.097 1.00 0.00 H new ATOM 665 N ASP A 42 -20.441 -61.720 1.523 1.00 0.00 N ATOM 666 CA ASP A 42 -21.539 -62.609 1.872 1.00 0.00 C ATOM 667 C ASP A 42 -21.737 -62.677 3.387 1.00 0.00 C ATOM 668 O ASP A 42 -22.851 -62.889 3.863 1.00 0.00 O ATOM 669 CB ASP A 42 -21.271 -64.011 1.321 1.00 0.00 C ATOM 670 CG ASP A 42 -20.778 -63.919 -0.119 1.00 0.00 C ATOM 671 OD1 ASP A 42 -19.680 -63.425 -0.320 1.00 0.00 O ATOM 672 OD2 ASP A 42 -21.505 -64.345 -1.001 1.00 0.00 O ATOM 0 H ASP A 42 -19.537 -62.180 1.415 1.00 0.00 H new ATOM 0 HA ASP A 42 -22.451 -62.210 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -20.528 -64.517 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -22.182 -64.608 1.365 1.00 0.00 H new ATOM 677 N SER A 43 -20.651 -62.503 4.140 1.00 0.00 N ATOM 678 CA SER A 43 -20.731 -62.558 5.600 1.00 0.00 C ATOM 679 C SER A 43 -21.266 -61.248 6.170 1.00 0.00 C ATOM 680 O SER A 43 -21.769 -61.212 7.294 1.00 0.00 O ATOM 681 CB SER A 43 -19.352 -62.841 6.195 1.00 0.00 C ATOM 682 OG SER A 43 -18.902 -61.694 6.903 1.00 0.00 O ATOM 0 H SER A 43 -19.717 -62.325 3.770 1.00 0.00 H new ATOM 0 HA SER A 43 -21.417 -63.362 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 43 -19.401 -63.700 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.647 -63.094 5.403 1.00 0.00 H new ATOM 0 HG SER A 43 -18.065 -61.904 7.368 1.00 0.00 H new ATOM 688 N ASN A 44 -21.152 -60.175 5.395 1.00 0.00 N ATOM 689 CA ASN A 44 -21.626 -58.868 5.841 1.00 0.00 C ATOM 690 C ASN A 44 -20.867 -58.407 7.083 1.00 0.00 C ATOM 691 O ASN A 44 -21.405 -57.675 7.913 1.00 0.00 O ATOM 692 CB ASN A 44 -23.124 -58.929 6.151 1.00 0.00 C ATOM 693 CG ASN A 44 -23.906 -59.259 4.884 1.00 0.00 C ATOM 694 OD1 ASN A 44 -24.500 -60.333 4.782 1.00 0.00 O ATOM 695 ND2 ASN A 44 -23.944 -58.395 3.907 1.00 0.00 N ATOM 0 H ASN A 44 -20.739 -60.182 4.462 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.449 -58.153 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -23.315 -59.684 6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -23.459 -57.974 6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -24.466 -58.609 3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -23.452 -57.506 3.993 1.00 0.00 H new ATOM 702 N GLY A 45 -19.613 -58.835 7.204 1.00 0.00 N ATOM 703 CA GLY A 45 -18.794 -58.449 8.350 1.00 0.00 C ATOM 704 C GLY A 45 -18.715 -59.571 9.383 1.00 0.00 C ATOM 705 O GLY A 45 -18.088 -59.418 10.431 1.00 0.00 O ATOM 0 H GLY A 45 -19.146 -59.442 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.790 -58.193 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -19.212 -57.555 8.813 1.00 0.00 H new ATOM 709 N ASN A 46 -19.353 -60.694 9.080 1.00 0.00 N ATOM 710 CA ASN A 46 -19.349 -61.837 9.987 1.00 0.00 C ATOM 711 C ASN A 46 -18.136 -62.731 9.713 1.00 0.00 C ATOM 712 O ASN A 46 -17.859 -63.078 8.565 1.00 0.00 O ATOM 713 CB ASN A 46 -20.647 -62.623 9.821 1.00 0.00 C ATOM 714 CG ASN A 46 -21.802 -61.853 10.450 1.00 0.00 C ATOM 715 OD1 ASN A 46 -21.775 -60.622 10.498 1.00 0.00 O ATOM 716 ND2 ASN A 46 -22.818 -62.506 10.941 1.00 0.00 N ATOM 0 H ASN A 46 -19.878 -60.839 8.218 1.00 0.00 H new ATOM 0 HA ASN A 46 -19.280 -61.481 11.015 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -20.846 -62.795 8.763 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.552 -63.602 10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -23.593 -61.998 11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.837 -63.525 10.900 1.00 0.00 H new ATOM 723 N LEU A 47 -17.406 -63.083 10.772 1.00 0.00 N ATOM 724 CA LEU A 47 -16.205 -63.913 10.630 1.00 0.00 C ATOM 725 C LEU A 47 -16.560 -65.395 10.584 1.00 0.00 C ATOM 726 O LEU A 47 -16.330 -66.062 9.579 1.00 0.00 O ATOM 727 CB LEU A 47 -15.258 -63.651 11.810 1.00 0.00 C ATOM 728 CG LEU A 47 -13.806 -63.953 11.414 1.00 0.00 C ATOM 729 CD1 LEU A 47 -13.715 -65.336 10.769 1.00 0.00 C ATOM 730 CD2 LEU A 47 -13.306 -62.896 10.423 1.00 0.00 C ATOM 0 H LEU A 47 -17.621 -62.810 11.731 1.00 0.00 H new ATOM 0 HA LEU A 47 -15.717 -63.648 9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.345 -62.613 12.130 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.546 -64.271 12.659 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.186 -63.933 12.311 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.681 -65.541 10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.057 -66.091 11.477 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -14.342 -65.364 9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.275 -63.116 10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.932 -62.909 9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.355 -61.911 10.887 1.00 0.00 H new ATOM 742 N GLU A 48 -17.125 -65.905 11.669 1.00 0.00 N ATOM 743 CA GLU A 48 -17.505 -67.306 11.718 1.00 0.00 C ATOM 744 C GLU A 48 -18.222 -67.683 10.433 1.00 0.00 C ATOM 745 O GLU A 48 -18.276 -68.851 10.047 1.00 0.00 O ATOM 746 CB GLU A 48 -18.411 -67.566 12.918 1.00 0.00 C ATOM 747 CG GLU A 48 -17.552 -68.038 14.089 1.00 0.00 C ATOM 748 CD GLU A 48 -18.416 -68.228 15.332 1.00 0.00 C ATOM 749 OE1 GLU A 48 -19.281 -69.087 15.302 1.00 0.00 O ATOM 750 OE2 GLU A 48 -18.198 -67.511 16.295 1.00 0.00 O ATOM 0 H GLU A 48 -17.328 -65.376 12.517 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.607 -67.916 11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.951 -66.658 13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -19.159 -68.320 12.670 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.059 -68.976 13.833 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.767 -67.309 14.291 1.00 0.00 H new ATOM 757 N LEU A 49 -18.764 -66.670 9.776 1.00 0.00 N ATOM 758 CA LEU A 49 -19.481 -66.866 8.529 1.00 0.00 C ATOM 759 C LEU A 49 -18.529 -66.766 7.353 1.00 0.00 C ATOM 760 O LEU A 49 -18.611 -67.549 6.410 1.00 0.00 O ATOM 761 CB LEU A 49 -20.574 -65.813 8.404 1.00 0.00 C ATOM 762 CG LEU A 49 -21.662 -66.124 9.424 1.00 0.00 C ATOM 763 CD1 LEU A 49 -22.354 -67.420 9.017 1.00 0.00 C ATOM 764 CD2 LEU A 49 -21.036 -66.303 10.815 1.00 0.00 C ATOM 0 H LEU A 49 -18.720 -65.700 10.088 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.931 -67.859 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.164 -64.818 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -20.988 -65.814 7.396 1.00 0.00 H new ATOM 0 HG LEU A 49 -22.380 -65.304 9.457 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -23.136 -67.657 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -22.796 -67.301 8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -21.625 -68.230 8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -21.819 -66.525 11.540 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -20.321 -67.125 10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -20.523 -65.386 11.104 1.00 0.00 H new ATOM 776 N ALA A 50 -17.617 -65.806 7.420 1.00 0.00 N ATOM 777 CA ALA A 50 -16.648 -65.639 6.354 1.00 0.00 C ATOM 778 C ALA A 50 -15.778 -66.886 6.275 1.00 0.00 C ATOM 779 O ALA A 50 -15.571 -67.440 5.197 1.00 0.00 O ATOM 780 CB ALA A 50 -15.784 -64.405 6.602 1.00 0.00 C ATOM 0 H ALA A 50 -17.530 -65.142 8.190 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.172 -65.498 5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.063 -64.297 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.418 -63.519 6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.253 -64.517 7.547 1.00 0.00 H new ATOM 786 N VAL A 51 -15.295 -67.345 7.431 1.00 0.00 N ATOM 787 CA VAL A 51 -14.480 -68.549 7.469 1.00 0.00 C ATOM 788 C VAL A 51 -15.278 -69.703 6.897 1.00 0.00 C ATOM 789 O VAL A 51 -14.890 -70.320 5.905 1.00 0.00 O ATOM 790 CB VAL A 51 -14.082 -68.873 8.910 1.00 0.00 C ATOM 791 CG1 VAL A 51 -15.327 -69.084 9.769 1.00 0.00 C ATOM 792 CG2 VAL A 51 -13.231 -70.144 8.933 1.00 0.00 C ATOM 0 H VAL A 51 -15.454 -66.906 8.338 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.576 -68.390 6.881 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.509 -68.037 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.029 -69.314 10.792 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.932 -68.177 9.762 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -15.911 -69.912 9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.948 -70.374 9.960 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -13.805 -70.974 8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.333 -69.991 8.335 1.00 0.00 H new ATOM 802 N ALA A 52 -16.410 -69.967 7.527 1.00 0.00 N ATOM 803 CA ALA A 52 -17.290 -71.027 7.086 1.00 0.00 C ATOM 804 C ALA A 52 -17.546 -70.885 5.591 1.00 0.00 C ATOM 805 O ALA A 52 -17.571 -71.870 4.856 1.00 0.00 O ATOM 806 CB ALA A 52 -18.597 -70.934 7.861 1.00 0.00 C ATOM 0 H ALA A 52 -16.739 -69.458 8.348 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.832 -71.999 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -19.269 -71.728 7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.396 -71.041 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -19.063 -69.966 7.674 1.00 0.00 H new ATOM 812 N PHE A 53 -17.720 -69.645 5.148 1.00 0.00 N ATOM 813 CA PHE A 53 -17.953 -69.376 3.735 1.00 0.00 C ATOM 814 C PHE A 53 -16.850 -70.004 2.892 1.00 0.00 C ATOM 815 O PHE A 53 -17.086 -70.441 1.765 1.00 0.00 O ATOM 816 CB PHE A 53 -17.995 -67.868 3.489 1.00 0.00 C ATOM 817 CG PHE A 53 -19.414 -67.443 3.188 1.00 0.00 C ATOM 818 CD1 PHE A 53 -20.100 -68.016 2.112 1.00 0.00 C ATOM 819 CD2 PHE A 53 -20.041 -66.478 3.987 1.00 0.00 C ATOM 820 CE1 PHE A 53 -21.415 -67.625 1.834 1.00 0.00 C ATOM 821 CE2 PHE A 53 -21.355 -66.087 3.708 1.00 0.00 C ATOM 822 CZ PHE A 53 -22.043 -66.661 2.631 1.00 0.00 C ATOM 0 H PHE A 53 -17.704 -68.816 5.742 1.00 0.00 H new ATOM 0 HA PHE A 53 -18.910 -69.812 3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -17.623 -67.336 4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.342 -67.607 2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -19.616 -68.759 1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -19.510 -66.036 4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.945 -68.068 1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -21.839 -65.343 4.323 1.00 0.00 H new ATOM 0 HZ PHE A 53 -23.058 -66.360 2.416 1.00 0.00 H new ATOM 832 N LEU A 54 -15.644 -70.048 3.449 1.00 0.00 N ATOM 833 CA LEU A 54 -14.508 -70.631 2.744 1.00 0.00 C ATOM 834 C LEU A 54 -14.463 -72.137 2.966 1.00 0.00 C ATOM 835 O LEU A 54 -14.390 -72.912 2.012 1.00 0.00 O ATOM 836 CB LEU A 54 -13.199 -70.007 3.243 1.00 0.00 C ATOM 837 CG LEU A 54 -12.985 -68.639 2.569 1.00 0.00 C ATOM 838 CD1 LEU A 54 -13.710 -67.550 3.359 1.00 0.00 C ATOM 839 CD2 LEU A 54 -11.491 -68.307 2.523 1.00 0.00 C ATOM 0 H LEU A 54 -15.429 -69.690 4.379 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.624 -70.428 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.231 -69.888 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.362 -70.668 3.020 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.382 -68.684 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.554 -66.585 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.777 -67.772 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.317 -67.515 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.348 -67.338 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.094 -68.273 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.965 -69.074 1.954 1.00 0.00 H new ATOM 851 N THR A 55 -14.511 -72.548 4.229 1.00 0.00 N ATOM 852 CA THR A 55 -14.478 -73.968 4.554 1.00 0.00 C ATOM 853 C THR A 55 -15.796 -74.624 4.168 1.00 0.00 C ATOM 854 O THR A 55 -15.806 -75.643 3.479 1.00 0.00 O ATOM 855 CB THR A 55 -14.220 -74.164 6.050 1.00 0.00 C ATOM 856 OG1 THR A 55 -15.450 -74.424 6.711 1.00 0.00 O ATOM 857 CG2 THR A 55 -13.582 -72.902 6.631 1.00 0.00 C ATOM 0 H THR A 55 -14.572 -71.926 5.035 1.00 0.00 H new ATOM 0 HA THR A 55 -13.669 -74.435 3.992 1.00 0.00 H new ATOM 0 HB THR A 55 -13.545 -75.007 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 55 -15.286 -74.551 7.669 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.399 -73.044 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.637 -72.705 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.254 -72.056 6.488 1.00 0.00 H new ATOM 1533 N ASP A 101 37.921 -6.315 -4.351 1.00 0.00 N ATOM 1534 CA ASP A 101 38.266 -5.660 -3.095 1.00 0.00 C ATOM 1535 C ASP A 101 39.611 -6.170 -2.587 1.00 0.00 C ATOM 1536 O ASP A 101 40.475 -5.385 -2.193 1.00 0.00 O ATOM 1537 CB ASP A 101 37.181 -5.929 -2.049 1.00 0.00 C ATOM 1538 CG ASP A 101 37.610 -5.370 -0.695 1.00 0.00 C ATOM 1539 OD1 ASP A 101 38.271 -4.344 -0.682 1.00 0.00 O ATOM 1540 OD2 ASP A 101 37.269 -5.975 0.308 1.00 0.00 O ATOM 0 HA ASP A 101 38.337 -4.586 -3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 101 36.243 -5.470 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.000 -7.001 -1.968 1.00 0.00 H new ATOM 1545 N LEU A 102 39.786 -7.487 -2.604 1.00 0.00 N ATOM 1546 CA LEU A 102 41.035 -8.083 -2.145 1.00 0.00 C ATOM 1547 C LEU A 102 42.141 -7.813 -3.139 1.00 0.00 C ATOM 1548 O LEU A 102 43.188 -7.263 -2.795 1.00 0.00 O ATOM 1549 CB LEU A 102 40.865 -9.592 -1.951 1.00 0.00 C ATOM 1550 CG LEU A 102 42.205 -10.214 -1.550 1.00 0.00 C ATOM 1551 CD1 LEU A 102 41.961 -11.356 -0.560 1.00 0.00 C ATOM 1552 CD2 LEU A 102 42.912 -10.764 -2.793 1.00 0.00 C ATOM 0 H LEU A 102 39.087 -8.156 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 102 41.302 -7.633 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 102 40.117 -9.788 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 102 40.502 -10.048 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 102 42.830 -9.452 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 102 42.915 -11.800 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 102 41.461 -10.968 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 102 41.334 -12.115 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 102 43.865 -11.206 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 102 42.287 -11.524 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 102 43.088 -9.953 -3.500 1.00 0.00 H new ATOM 1564 N GLN A 103 41.892 -8.183 -4.374 1.00 0.00 N ATOM 1565 CA GLN A 103 42.863 -7.956 -5.426 1.00 0.00 C ATOM 1566 C GLN A 103 43.418 -6.554 -5.275 1.00 0.00 C ATOM 1567 O GLN A 103 44.473 -6.216 -5.811 1.00 0.00 O ATOM 1568 CB GLN A 103 42.182 -8.083 -6.783 1.00 0.00 C ATOM 1569 CG GLN A 103 43.167 -8.647 -7.807 1.00 0.00 C ATOM 1570 CD GLN A 103 43.626 -10.037 -7.380 1.00 0.00 C ATOM 1571 OE1 GLN A 103 42.801 -10.899 -7.076 1.00 0.00 O ATOM 1572 NE2 GLN A 103 44.901 -10.308 -7.338 1.00 0.00 N ATOM 0 H GLN A 103 41.032 -8.640 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 103 43.666 -8.689 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 103 41.312 -8.735 -6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 103 41.821 -7.108 -7.111 1.00 0.00 H new ATOM 0 HG2 GLN A 103 42.695 -8.697 -8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 103 44.027 -7.984 -7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 103 45.583 -9.593 -7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 103 45.216 -11.235 -7.053 1.00 0.00 H new ATOM 1581 N ARG A 104 42.682 -5.747 -4.525 1.00 0.00 N ATOM 1582 CA ARG A 104 43.081 -4.368 -4.280 1.00 0.00 C ATOM 1583 C ARG A 104 44.016 -4.292 -3.082 1.00 0.00 C ATOM 1584 O ARG A 104 44.967 -3.513 -3.075 1.00 0.00 O ATOM 1585 CB ARG A 104 41.847 -3.499 -4.029 1.00 0.00 C ATOM 1586 CG ARG A 104 42.191 -2.035 -4.309 1.00 0.00 C ATOM 1587 CD ARG A 104 42.151 -1.776 -5.817 1.00 0.00 C ATOM 1588 NE ARG A 104 43.211 -0.851 -6.198 1.00 0.00 N ATOM 1589 CZ ARG A 104 43.187 -0.224 -7.370 1.00 0.00 C ATOM 1590 NH1 ARG A 104 42.203 -0.432 -8.200 1.00 0.00 N ATOM 1591 NH2 ARG A 104 44.148 0.600 -7.689 1.00 0.00 N ATOM 0 H ARG A 104 41.808 -6.022 -4.077 1.00 0.00 H new ATOM 0 HA ARG A 104 43.605 -3.998 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 104 41.026 -3.820 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.511 -3.614 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 104 41.484 -1.381 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 104 43.181 -1.802 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 104 42.267 -2.715 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 104 41.181 -1.364 -6.097 1.00 0.00 H new ATOM 0 HE ARG A 104 43.984 -0.682 -5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 104 41.452 -1.076 -7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 104 42.184 0.049 -9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 104 44.917 0.763 -7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 104 44.130 1.081 -8.588 1.00 0.00 H new ATOM 1605 N ALA A 105 43.746 -5.109 -2.069 1.00 0.00 N ATOM 1606 CA ALA A 105 44.582 -5.123 -0.875 1.00 0.00 C ATOM 1607 C ALA A 105 46.018 -5.490 -1.241 1.00 0.00 C ATOM 1608 O ALA A 105 46.972 -4.929 -0.697 1.00 0.00 O ATOM 1609 CB ALA A 105 44.032 -6.131 0.135 1.00 0.00 C ATOM 0 H ALA A 105 42.964 -5.763 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 105 44.574 -4.128 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.662 -6.136 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.016 -5.851 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.026 -7.126 -0.310 1.00 0.00 H new ATOM 1615 N ILE A 106 46.164 -6.427 -2.174 1.00 0.00 N ATOM 1616 CA ILE A 106 47.490 -6.853 -2.613 1.00 0.00 C ATOM 1617 C ILE A 106 48.103 -5.798 -3.510 1.00 0.00 C ATOM 1618 O ILE A 106 49.305 -5.535 -3.467 1.00 0.00 O ATOM 1619 CB ILE A 106 47.406 -8.182 -3.370 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.145 -8.943 -2.948 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.642 -9.030 -3.056 1.00 0.00 C ATOM 1622 CD1 ILE A 106 46.178 -9.205 -1.441 1.00 0.00 C ATOM 0 H ILE A 106 45.389 -6.902 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 106 48.116 -6.988 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 106 47.363 -7.981 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 106 45.257 -8.366 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 106 46.081 -9.887 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 106 48.581 -9.975 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.539 -8.493 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 106 48.686 -9.226 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 106 45.279 -9.746 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 106 47.057 -9.800 -1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 106 46.221 -8.255 -0.907 1.00 0.00 H new ATOM 1634 N ALA A 107 47.253 -5.198 -4.315 1.00 0.00 N ATOM 1635 CA ALA A 107 47.680 -4.156 -5.234 1.00 0.00 C ATOM 1636 C ALA A 107 48.233 -2.967 -4.458 1.00 0.00 C ATOM 1637 O ALA A 107 49.378 -2.560 -4.657 1.00 0.00 O ATOM 1638 CB ALA A 107 46.504 -3.702 -6.101 1.00 0.00 C ATOM 0 H ALA A 107 46.257 -5.413 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 107 48.462 -4.559 -5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.836 -2.921 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.126 -4.549 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.711 -3.312 -5.463 1.00 0.00 H new ATOM 1644 N LEU A 108 47.413 -2.420 -3.567 1.00 0.00 N ATOM 1645 CA LEU A 108 47.826 -1.284 -2.755 1.00 0.00 C ATOM 1646 C LEU A 108 49.192 -1.552 -2.135 1.00 0.00 C ATOM 1647 O LEU A 108 50.122 -0.760 -2.291 1.00 0.00 O ATOM 1648 CB LEU A 108 46.797 -1.032 -1.649 1.00 0.00 C ATOM 1649 CG LEU A 108 47.120 0.280 -0.932 1.00 0.00 C ATOM 1650 CD1 LEU A 108 46.565 1.453 -1.741 1.00 0.00 C ATOM 1651 CD2 LEU A 108 46.480 0.272 0.458 1.00 0.00 C ATOM 0 H LEU A 108 46.462 -2.744 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 108 47.892 -0.402 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 108 45.795 -0.987 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 108 46.804 -1.858 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 108 48.201 0.384 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 108 46.795 2.388 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 108 47.020 1.459 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 108 45.484 1.349 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 108 46.710 1.207 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 108 45.399 0.168 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 108 46.874 -0.564 1.035 1.00 0.00 H new ATOM 1663 N SER A 109 49.311 -2.680 -1.438 1.00 0.00 N ATOM 1664 CA SER A 109 50.575 -3.039 -0.811 1.00 0.00 C ATOM 1665 C SER A 109 51.671 -3.110 -1.863 1.00 0.00 C ATOM 1666 O SER A 109 52.738 -2.514 -1.705 1.00 0.00 O ATOM 1667 CB SER A 109 50.450 -4.384 -0.096 1.00 0.00 C ATOM 1668 OG SER A 109 49.075 -4.683 0.103 1.00 0.00 O ATOM 0 H SER A 109 48.557 -3.352 -1.296 1.00 0.00 H new ATOM 0 HA SER A 109 50.832 -2.276 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 109 50.923 -5.168 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 109 50.969 -4.350 0.862 1.00 0.00 H new ATOM 0 HG SER A 109 48.711 -5.103 -0.704 1.00 0.00 H new ATOM 1674 N LEU A 110 51.394 -3.820 -2.947 1.00 0.00 N ATOM 1675 CA LEU A 110 52.358 -3.930 -4.028 1.00 0.00 C ATOM 1676 C LEU A 110 52.873 -2.543 -4.371 1.00 0.00 C ATOM 1677 O LEU A 110 53.913 -2.385 -5.011 1.00 0.00 O ATOM 1678 CB LEU A 110 51.693 -4.546 -5.256 1.00 0.00 C ATOM 1679 CG LEU A 110 51.880 -6.063 -5.231 1.00 0.00 C ATOM 1680 CD1 LEU A 110 50.922 -6.711 -6.233 1.00 0.00 C ATOM 1681 CD2 LEU A 110 53.324 -6.407 -5.609 1.00 0.00 C ATOM 0 H LEU A 110 50.520 -4.323 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 110 53.186 -4.567 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 110 50.631 -4.300 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 110 52.128 -4.130 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 110 51.668 -6.439 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 110 51.055 -7.793 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 110 49.894 -6.467 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 110 51.134 -6.335 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 110 53.457 -7.489 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 110 53.537 -6.032 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 110 54.007 -5.946 -4.895 1.00 0.00 H new ATOM 1693 N ALA A 111 52.120 -1.540 -3.933 1.00 0.00 N ATOM 1694 CA ALA A 111 52.479 -0.150 -4.184 1.00 0.00 C ATOM 1695 C ALA A 111 53.557 0.309 -3.212 1.00 0.00 C ATOM 1696 O ALA A 111 54.609 0.793 -3.623 1.00 0.00 O ATOM 1697 CB ALA A 111 51.249 0.741 -4.033 1.00 0.00 C ATOM 0 H ALA A 111 51.258 -1.664 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 111 52.864 -0.073 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.526 1.778 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.486 0.433 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.855 0.649 -3.021 1.00 0.00 H new ATOM 1703 N GLU A 112 53.290 0.150 -1.921 1.00 0.00 N ATOM 1704 CA GLU A 112 54.256 0.553 -0.911 1.00 0.00 C ATOM 1705 C GLU A 112 55.635 0.040 -1.299 1.00 0.00 C ATOM 1706 O GLU A 112 56.657 0.585 -0.878 1.00 0.00 O ATOM 1707 CB GLU A 112 53.860 -0.011 0.455 1.00 0.00 C ATOM 1708 CG GLU A 112 52.717 0.819 1.039 1.00 0.00 C ATOM 1709 CD GLU A 112 51.646 1.048 -0.021 1.00 0.00 C ATOM 1710 OE1 GLU A 112 51.803 1.971 -0.804 1.00 0.00 O ATOM 1711 OE2 GLU A 112 50.685 0.296 -0.037 1.00 0.00 O ATOM 0 H GLU A 112 52.426 -0.249 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 112 54.274 1.641 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 112 53.553 -1.052 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 112 54.716 0.005 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 112 52.286 0.306 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 112 53.097 1.776 1.397 1.00 0.00 H new ATOM 1718 N SER A 113 55.650 -1.006 -2.118 1.00 0.00 N ATOM 1719 CA SER A 113 56.906 -1.585 -2.578 1.00 0.00 C ATOM 1720 C SER A 113 57.341 -0.916 -3.874 1.00 0.00 C ATOM 1721 O SER A 113 58.452 -0.394 -3.972 1.00 0.00 O ATOM 1722 CB SER A 113 56.741 -3.088 -2.807 1.00 0.00 C ATOM 1723 OG SER A 113 57.341 -3.794 -1.728 1.00 0.00 O ATOM 0 H SER A 113 54.813 -1.467 -2.475 1.00 0.00 H new ATOM 0 HA SER A 113 57.667 -1.422 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 113 55.684 -3.343 -2.881 1.00 0.00 H new ATOM 0 HB3 SER A 113 57.205 -3.378 -3.750 1.00 0.00 H new ATOM 0 HG SER A 113 57.236 -4.758 -1.869 1.00 0.00 H new ATOM 1902 N GLU A 125 68.071 21.471 -5.397 1.00 0.00 N ATOM 1903 CA GLU A 125 67.712 22.166 -6.628 1.00 0.00 C ATOM 1904 C GLU A 125 67.774 23.678 -6.431 1.00 0.00 C ATOM 1905 O GLU A 125 68.375 24.393 -7.233 1.00 0.00 O ATOM 1906 CB GLU A 125 66.300 21.764 -7.058 1.00 0.00 C ATOM 1907 CG GLU A 125 66.371 20.556 -7.997 1.00 0.00 C ATOM 1908 CD GLU A 125 66.271 21.019 -9.446 1.00 0.00 C ATOM 1909 OE1 GLU A 125 66.753 22.101 -9.736 1.00 0.00 O ATOM 1910 OE2 GLU A 125 65.713 20.285 -10.245 1.00 0.00 O ATOM 0 HA GLU A 125 68.425 21.884 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 125 65.698 21.521 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 125 65.811 22.599 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 125 67.306 20.018 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 125 65.562 19.861 -7.771 1.00 0.00 H new ATOM 1917 N GLU A 126 67.150 24.160 -5.361 1.00 0.00 N ATOM 1918 CA GLU A 126 67.145 25.590 -5.076 1.00 0.00 C ATOM 1919 C GLU A 126 68.571 26.113 -4.937 1.00 0.00 C ATOM 1920 O GLU A 126 68.874 27.234 -5.346 1.00 0.00 O ATOM 1921 CB GLU A 126 66.370 25.865 -3.784 1.00 0.00 C ATOM 1922 CG GLU A 126 64.906 25.463 -3.971 1.00 0.00 C ATOM 1923 CD GLU A 126 64.156 26.556 -4.726 1.00 0.00 C ATOM 1924 OE1 GLU A 126 64.809 27.344 -5.391 1.00 0.00 O ATOM 1925 OE2 GLU A 126 62.940 26.590 -4.627 1.00 0.00 O ATOM 0 H GLU A 126 66.646 23.588 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 126 66.660 26.104 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 126 66.809 25.305 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 126 66.438 26.922 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 126 64.846 24.524 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 126 64.440 25.295 -3.000 1.00 0.00 H new ATOM 1932 N GLN A 127 69.441 25.295 -4.354 1.00 0.00 N ATOM 1933 CA GLN A 127 70.832 25.688 -4.162 1.00 0.00 C ATOM 1934 C GLN A 127 71.614 25.564 -5.467 1.00 0.00 C ATOM 1935 O GLN A 127 72.295 26.501 -5.885 1.00 0.00 O ATOM 1936 CB GLN A 127 71.479 24.808 -3.093 1.00 0.00 C ATOM 1937 CG GLN A 127 70.840 25.099 -1.733 1.00 0.00 C ATOM 1938 CD GLN A 127 70.002 23.907 -1.285 1.00 0.00 C ATOM 1939 OE1 GLN A 127 70.024 23.538 -0.111 1.00 0.00 O ATOM 1940 NE2 GLN A 127 69.261 23.279 -2.155 1.00 0.00 N ATOM 0 H GLN A 127 69.210 24.363 -4.009 1.00 0.00 H new ATOM 0 HA GLN A 127 70.853 26.729 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 127 71.352 23.756 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 127 72.551 24.999 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 127 71.615 25.307 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 127 70.215 25.989 -1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 127 69.244 23.587 -3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 127 68.698 22.480 -1.863 1.00 0.00 H new ATOM 1949 N ALA A 128 71.515 24.403 -6.106 1.00 0.00 N ATOM 1950 CA ALA A 128 72.221 24.172 -7.361 1.00 0.00 C ATOM 1951 C ALA A 128 71.988 25.330 -8.328 1.00 0.00 C ATOM 1952 O ALA A 128 72.923 25.810 -8.970 1.00 0.00 O ATOM 1953 CB ALA A 128 71.743 22.866 -7.998 1.00 0.00 C ATOM 0 H ALA A 128 70.958 23.614 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 128 73.288 24.101 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 128 72.276 22.702 -8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 128 71.939 22.037 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 128 70.673 22.928 -8.195 1.00 0.00 H new ATOM 1959 N ILE A 129 70.739 25.775 -8.427 1.00 0.00 N ATOM 1960 CA ILE A 129 70.404 26.878 -9.320 1.00 0.00 C ATOM 1961 C ILE A 129 71.076 28.166 -8.854 1.00 0.00 C ATOM 1962 O ILE A 129 71.896 28.743 -9.568 1.00 0.00 O ATOM 1963 CB ILE A 129 68.888 27.077 -9.364 1.00 0.00 C ATOM 1964 CG1 ILE A 129 68.258 25.999 -10.249 1.00 0.00 C ATOM 1965 CG2 ILE A 129 68.571 28.457 -9.943 1.00 0.00 C ATOM 1966 CD1 ILE A 129 66.735 26.136 -10.220 1.00 0.00 C ATOM 0 H ILE A 129 69.950 25.393 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 129 70.765 26.633 -10.319 1.00 0.00 H new ATOM 0 HB ILE A 129 68.483 27.003 -8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 129 68.622 26.095 -11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 129 68.551 25.009 -9.898 1.00 0.00 H new ATOM 0 HG21 ILE A 129 67.491 28.599 -9.974 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.020 29.227 -9.315 1.00 0.00 H new ATOM 0 HG23 ILE A 129 68.976 28.530 -10.952 1.00 0.00 H new ATOM 0 HD11 ILE A 129 66.288 25.367 -10.851 1.00 0.00 H new ATOM 0 HD12 ILE A 129 66.378 26.018 -9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 129 66.451 27.121 -10.592 1.00 0.00 H new ATOM 1978 N SER A 130 70.722 28.612 -7.653 1.00 0.00 N ATOM 1979 CA SER A 130 71.295 29.836 -7.101 1.00 0.00 C ATOM 1980 C SER A 130 72.818 29.741 -7.036 1.00 0.00 C ATOM 1981 O SER A 130 73.505 30.752 -6.896 1.00 0.00 O ATOM 1982 CB SER A 130 70.742 30.083 -5.697 1.00 0.00 C ATOM 1983 OG SER A 130 71.780 29.901 -4.744 1.00 0.00 O ATOM 0 H SER A 130 70.046 28.148 -7.046 1.00 0.00 H new ATOM 0 HA SER A 130 71.023 30.665 -7.754 1.00 0.00 H new ATOM 0 HB2 SER A 130 70.340 31.093 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 130 69.920 29.397 -5.492 1.00 0.00 H new ATOM 0 HG SER A 130 71.429 30.060 -3.843 1.00 0.00 H new ATOM 1989 N ARG A 131 73.338 28.522 -7.136 1.00 0.00 N ATOM 1990 CA ARG A 131 74.780 28.314 -7.085 1.00 0.00 C ATOM 1991 C ARG A 131 75.428 28.719 -8.405 1.00 0.00 C ATOM 1992 O ARG A 131 76.378 29.501 -8.428 1.00 0.00 O ATOM 1993 CB ARG A 131 75.083 26.844 -6.794 1.00 0.00 C ATOM 1994 CG ARG A 131 76.596 26.652 -6.659 1.00 0.00 C ATOM 1995 CD ARG A 131 76.891 25.664 -5.528 1.00 0.00 C ATOM 1996 NE ARG A 131 78.101 24.908 -5.826 1.00 0.00 N ATOM 1997 CZ ARG A 131 78.042 23.706 -6.388 1.00 0.00 C ATOM 1998 NH1 ARG A 131 76.886 23.179 -6.689 1.00 0.00 N ATOM 1999 NH2 ARG A 131 79.142 23.052 -6.643 1.00 0.00 N ATOM 0 H ARG A 131 72.788 27.671 -7.252 1.00 0.00 H new ATOM 0 HA ARG A 131 75.191 28.935 -6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 131 74.583 26.533 -5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 131 74.696 26.216 -7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 131 77.010 26.281 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 131 77.077 27.608 -6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 131 77.011 26.201 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 131 76.049 24.983 -5.401 1.00 0.00 H new ATOM 0 HE ARG A 131 79.011 25.310 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 131 76.026 23.691 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 131 76.843 22.256 -7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 131 80.046 23.464 -6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 131 79.098 22.129 -7.075 1.00 0.00 H new ATOM 2013 N VAL A 132 74.907 28.184 -9.503 1.00 0.00 N ATOM 2014 CA VAL A 132 75.442 28.496 -10.822 1.00 0.00 C ATOM 2015 C VAL A 132 75.238 29.974 -11.143 1.00 0.00 C ATOM 2016 O VAL A 132 76.183 30.680 -11.493 1.00 0.00 O ATOM 2017 CB VAL A 132 74.745 27.640 -11.880 1.00 0.00 C ATOM 2018 CG1 VAL A 132 75.357 27.920 -13.256 1.00 0.00 C ATOM 2019 CG2 VAL A 132 74.927 26.161 -11.532 1.00 0.00 C ATOM 0 H VAL A 132 74.119 27.536 -9.506 1.00 0.00 H new ATOM 0 HA VAL A 132 76.510 28.279 -10.825 1.00 0.00 H new ATOM 0 HB VAL A 132 73.683 27.884 -11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 132 74.858 27.308 -14.008 1.00 0.00 H new ATOM 0 HG12 VAL A 132 75.230 28.974 -13.503 1.00 0.00 H new ATOM 0 HG13 VAL A 132 76.419 27.677 -13.238 1.00 0.00 H new ATOM 0 HG21 VAL A 132 74.432 25.547 -12.284 1.00 0.00 H new ATOM 0 HG22 VAL A 132 75.990 25.921 -11.510 1.00 0.00 H new ATOM 0 HG23 VAL A 132 74.489 25.961 -10.554 1.00 0.00 H new ATOM 2029 N LEU A 133 73.997 30.435 -11.018 1.00 0.00 N ATOM 2030 CA LEU A 133 73.679 31.831 -11.295 1.00 0.00 C ATOM 2031 C LEU A 133 74.677 32.756 -10.603 1.00 0.00 C ATOM 2032 O LEU A 133 75.276 33.623 -11.239 1.00 0.00 O ATOM 2033 CB LEU A 133 72.262 32.152 -10.812 1.00 0.00 C ATOM 2034 CG LEU A 133 71.341 32.358 -12.017 1.00 0.00 C ATOM 2035 CD1 LEU A 133 71.715 33.659 -12.733 1.00 0.00 C ATOM 2036 CD2 LEU A 133 71.496 31.179 -12.982 1.00 0.00 C ATOM 0 H LEU A 133 73.201 29.867 -10.729 1.00 0.00 H new ATOM 0 HA LEU A 133 73.739 31.990 -12.372 1.00 0.00 H new ATOM 0 HB2 LEU A 133 71.887 31.340 -10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 133 72.273 33.049 -10.193 1.00 0.00 H new ATOM 0 HG LEU A 133 70.307 32.418 -11.678 1.00 0.00 H new ATOM 0 HD11 LEU A 133 71.058 33.804 -13.591 1.00 0.00 H new ATOM 0 HD12 LEU A 133 71.604 34.497 -12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 133 72.749 33.603 -13.073 1.00 0.00 H new ATOM 0 HD21 LEU A 133 70.841 31.323 -13.841 1.00 0.00 H new ATOM 0 HD22 LEU A 133 72.530 31.119 -13.320 1.00 0.00 H new ATOM 0 HD23 LEU A 133 71.227 30.254 -12.472 1.00 0.00 H new ATOM 2048 N GLU A 134 74.848 32.566 -9.299 1.00 0.00 N ATOM 2049 CA GLU A 134 75.776 33.391 -8.535 1.00 0.00 C ATOM 2050 C GLU A 134 77.145 33.413 -9.207 1.00 0.00 C ATOM 2051 O GLU A 134 77.705 34.479 -9.463 1.00 0.00 O ATOM 2052 CB GLU A 134 75.910 32.850 -7.111 1.00 0.00 C ATOM 2053 CG GLU A 134 76.244 33.999 -6.157 1.00 0.00 C ATOM 2054 CD GLU A 134 74.971 34.737 -5.761 1.00 0.00 C ATOM 2055 OE1 GLU A 134 74.311 34.287 -4.839 1.00 0.00 O ATOM 2056 OE2 GLU A 134 74.672 35.741 -6.387 1.00 0.00 O ATOM 0 H GLU A 134 74.361 31.855 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 134 75.384 34.408 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 134 74.982 32.368 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 134 76.692 32.091 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 134 76.740 33.611 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 134 76.940 34.689 -6.635 1.00 0.00 H new ATOM 2063 N ALA A 135 77.676 32.229 -9.494 1.00 0.00 N ATOM 2064 CA ALA A 135 78.977 32.123 -10.142 1.00 0.00 C ATOM 2065 C ALA A 135 78.973 32.874 -11.469 1.00 0.00 C ATOM 2066 O ALA A 135 80.023 33.115 -12.063 1.00 0.00 O ATOM 2067 CB ALA A 135 79.320 30.653 -10.386 1.00 0.00 C ATOM 0 H ALA A 135 77.229 31.335 -9.290 1.00 0.00 H new ATOM 0 HA ALA A 135 79.728 32.566 -9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 135 80.294 30.582 -10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 135 79.349 30.123 -9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 135 78.562 30.204 -11.028 1.00 0.00 H new ATOM 2073 N SER A 136 77.780 33.240 -11.927 1.00 0.00 N ATOM 2074 CA SER A 136 77.643 33.963 -13.185 1.00 0.00 C ATOM 2075 C SER A 136 77.179 35.394 -12.930 1.00 0.00 C ATOM 2076 O SER A 136 77.058 36.192 -13.859 1.00 0.00 O ATOM 2077 CB SER A 136 76.634 33.252 -14.088 1.00 0.00 C ATOM 2078 OG SER A 136 76.447 31.921 -13.625 1.00 0.00 O ATOM 0 H SER A 136 76.900 33.049 -11.449 1.00 0.00 H new ATOM 0 HA SER A 136 78.615 33.989 -13.677 1.00 0.00 H new ATOM 0 HB2 SER A 136 75.685 33.787 -14.084 1.00 0.00 H new ATOM 0 HB3 SER A 136 76.992 33.244 -15.118 1.00 0.00 H new ATOM 0 HG SER A 136 75.968 31.936 -12.770 1.00 0.00 H new