USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.77 K(o=-0.77,f=-2.8) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -155:sc= 0 (180deg=-0.00762) USER MOD Single : A 28 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.27) USER MOD Single : A 38 ASN : amide:sc= -6.32! C(o=-6.3!,f=-11!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.8! C(o=-2.8!,f=-1.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.585 K(o=-0.58,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 53.780 -13.143 14.573 1.00 0.00 N ATOM 35 CA VAL A 3 54.715 -13.837 13.695 1.00 0.00 C ATOM 36 C VAL A 3 56.153 -13.468 14.045 1.00 0.00 C ATOM 37 O VAL A 3 56.534 -12.299 13.993 1.00 0.00 O ATOM 38 CB VAL A 3 54.432 -13.469 12.237 1.00 0.00 C ATOM 39 CG1 VAL A 3 53.211 -14.246 11.742 1.00 0.00 C ATOM 40 CG2 VAL A 3 54.155 -11.968 12.136 1.00 0.00 C ATOM 0 HA VAL A 3 54.584 -14.911 13.831 1.00 0.00 H new ATOM 0 HB VAL A 3 55.297 -13.722 11.624 1.00 0.00 H new ATOM 0 HG11 VAL A 3 53.009 -13.984 10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.406 -15.316 11.815 1.00 0.00 H new ATOM 0 HG13 VAL A 3 52.346 -13.993 12.355 1.00 0.00 H new ATOM 0 HG21 VAL A 3 53.953 -11.704 11.098 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.290 -11.716 12.749 1.00 0.00 H new ATOM 0 HG23 VAL A 3 55.024 -11.413 12.489 1.00 0.00 H new ATOM 50 N LYS A 4 56.947 -14.473 14.399 1.00 0.00 N ATOM 51 CA LYS A 4 58.342 -14.243 14.756 1.00 0.00 C ATOM 52 C LYS A 4 59.270 -15.003 13.814 1.00 0.00 C ATOM 53 O LYS A 4 58.958 -16.113 13.384 1.00 0.00 O ATOM 54 CB LYS A 4 58.594 -14.692 16.196 1.00 0.00 C ATOM 55 CG LYS A 4 57.444 -14.222 17.088 1.00 0.00 C ATOM 56 CD LYS A 4 57.562 -14.881 18.464 1.00 0.00 C ATOM 57 CE LYS A 4 56.247 -14.710 19.227 1.00 0.00 C ATOM 58 NZ LYS A 4 56.436 -15.135 20.643 1.00 0.00 N ATOM 0 H LYS A 4 56.651 -15.448 14.446 1.00 0.00 H new ATOM 0 HA LYS A 4 58.548 -13.176 14.667 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.681 -15.778 16.239 1.00 0.00 H new ATOM 0 HB3 LYS A 4 59.538 -14.282 16.556 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.469 -13.137 17.190 1.00 0.00 H new ATOM 0 HG3 LYS A 4 56.488 -14.478 16.631 1.00 0.00 H new ATOM 0 HD2 LYS A 4 57.795 -15.940 18.353 1.00 0.00 H new ATOM 0 HD3 LYS A 4 58.381 -14.431 19.025 1.00 0.00 H new ATOM 0 HE2 LYS A 4 55.924 -13.670 19.188 1.00 0.00 H new ATOM 0 HE3 LYS A 4 55.463 -15.305 18.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 55.543 -15.019 21.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 56.725 -16.134 20.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 57.172 -14.549 21.086 1.00 0.00 H new ATOM 72 N GLN A 5 60.409 -14.397 13.497 1.00 0.00 N ATOM 73 CA GLN A 5 61.377 -15.026 12.606 1.00 0.00 C ATOM 74 C GLN A 5 62.799 -14.656 13.014 1.00 0.00 C ATOM 75 O GLN A 5 63.102 -13.488 13.256 1.00 0.00 O ATOM 76 CB GLN A 5 61.125 -14.581 11.164 1.00 0.00 C ATOM 77 CG GLN A 5 61.308 -15.773 10.222 1.00 0.00 C ATOM 78 CD GLN A 5 62.715 -16.341 10.367 1.00 0.00 C ATOM 79 OE1 GLN A 5 62.891 -17.445 10.885 1.00 0.00 O ATOM 80 NE2 GLN A 5 63.736 -15.649 9.939 1.00 0.00 N ATOM 0 H GLN A 5 60.684 -13.477 13.841 1.00 0.00 H new ATOM 0 HA GLN A 5 61.260 -16.107 12.678 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.116 -14.179 11.067 1.00 0.00 H new ATOM 0 HB3 GLN A 5 61.814 -13.781 10.893 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.571 -16.543 10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 5 61.137 -15.462 9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 5 63.589 -14.735 9.510 1.00 0.00 H new ATOM 0 HE22 GLN A 5 64.681 -16.022 10.033 1.00 0.00 H new ATOM 89 N THR A 6 63.668 -15.659 13.090 1.00 0.00 N ATOM 90 CA THR A 6 65.056 -15.426 13.471 1.00 0.00 C ATOM 91 C THR A 6 65.893 -15.053 12.252 1.00 0.00 C ATOM 92 O THR A 6 65.885 -15.756 11.241 1.00 0.00 O ATOM 93 CB THR A 6 65.636 -16.683 14.125 1.00 0.00 C ATOM 94 OG1 THR A 6 64.609 -17.654 14.271 1.00 0.00 O ATOM 95 CG2 THR A 6 66.207 -16.329 15.499 1.00 0.00 C ATOM 0 H THR A 6 63.438 -16.633 12.895 1.00 0.00 H new ATOM 0 HA THR A 6 65.083 -14.600 14.182 1.00 0.00 H new ATOM 0 HB THR A 6 66.431 -17.086 13.498 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.978 -18.460 14.688 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.619 -17.225 15.963 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.994 -15.584 15.385 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.415 -15.926 16.129 1.00 0.00 H new ATOM 103 N VAL A 7 66.617 -13.943 12.355 1.00 0.00 N ATOM 104 CA VAL A 7 67.458 -13.485 11.255 1.00 0.00 C ATOM 105 C VAL A 7 68.875 -13.206 11.746 1.00 0.00 C ATOM 106 O VAL A 7 69.071 -12.512 12.744 1.00 0.00 O ATOM 107 CB VAL A 7 66.870 -12.213 10.641 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.793 -11.706 9.532 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.492 -12.522 10.053 1.00 0.00 C ATOM 0 H VAL A 7 66.639 -13.348 13.183 1.00 0.00 H new ATOM 0 HA VAL A 7 67.494 -14.269 10.499 1.00 0.00 H new ATOM 0 HB VAL A 7 66.775 -11.449 11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.373 -10.800 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.776 -11.486 9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.889 -12.470 8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.072 -11.617 9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.588 -13.287 9.282 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.832 -12.883 10.842 1.00 0.00 H new ATOM 119 N GLU A 8 69.859 -13.752 11.040 1.00 0.00 N ATOM 120 CA GLU A 8 71.255 -13.556 11.414 1.00 0.00 C ATOM 121 C GLU A 8 71.752 -12.193 10.940 1.00 0.00 C ATOM 122 O GLU A 8 71.613 -11.845 9.768 1.00 0.00 O ATOM 123 CB GLU A 8 72.121 -14.658 10.802 1.00 0.00 C ATOM 124 CG GLU A 8 71.630 -16.023 11.289 1.00 0.00 C ATOM 125 CD GLU A 8 70.519 -16.534 10.378 1.00 0.00 C ATOM 126 OE1 GLU A 8 69.998 -15.742 9.611 1.00 0.00 O ATOM 127 OE2 GLU A 8 70.207 -17.710 10.461 1.00 0.00 O ATOM 0 H GLU A 8 69.718 -14.330 10.211 1.00 0.00 H new ATOM 0 HA GLU A 8 71.328 -13.599 12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.074 -14.610 9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.164 -14.514 11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 8 72.457 -16.733 11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 8 71.264 -15.943 12.313 1.00 0.00 H new ATOM 134 N ILE A 9 72.331 -11.428 11.859 1.00 0.00 N ATOM 135 CA ILE A 9 72.846 -10.105 11.524 1.00 0.00 C ATOM 136 C ILE A 9 74.203 -10.217 10.838 1.00 0.00 C ATOM 137 O ILE A 9 75.195 -10.594 11.461 1.00 0.00 O ATOM 138 CB ILE A 9 72.980 -9.261 12.792 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.598 -8.767 13.224 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.885 -8.061 12.513 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.867 -8.174 12.018 1.00 0.00 C ATOM 0 H ILE A 9 72.455 -11.698 12.835 1.00 0.00 H new ATOM 0 HA ILE A 9 72.145 -9.624 10.841 1.00 0.00 H new ATOM 0 HB ILE A 9 73.415 -9.867 13.587 1.00 0.00 H new ATOM 0 HG12 ILE A 9 71.021 -9.591 13.643 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.697 -8.016 14.008 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.980 -7.459 13.417 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.870 -8.412 12.205 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.451 -7.455 11.718 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.882 -7.822 12.326 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.442 -7.339 11.619 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.755 -8.938 11.249 1.00 0.00 H new ATOM 297 N PRO A 19 67.019 0.245 6.278 1.00 0.00 N ATOM 298 CA PRO A 19 66.076 -0.795 6.780 1.00 0.00 C ATOM 299 C PRO A 19 65.431 -0.393 8.104 1.00 0.00 C ATOM 300 O PRO A 19 64.206 -0.339 8.218 1.00 0.00 O ATOM 301 CB PRO A 19 66.959 -2.032 6.956 1.00 0.00 C ATOM 302 CG PRO A 19 68.107 -1.839 6.021 1.00 0.00 C ATOM 303 CD PRO A 19 68.312 -0.330 5.880 1.00 0.00 C ATOM 0 HA PRO A 19 65.243 -0.956 6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.303 -2.125 7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.409 -2.943 6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.006 -2.317 6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.898 -2.293 5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.120 0.024 6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.572 -0.057 4.857 1.00 0.00 H new ATOM 311 N ALA A 20 66.264 -0.111 9.100 1.00 0.00 N ATOM 312 CA ALA A 20 65.764 0.284 10.412 1.00 0.00 C ATOM 313 C ALA A 20 64.967 1.581 10.311 1.00 0.00 C ATOM 314 O ALA A 20 63.933 1.737 10.959 1.00 0.00 O ATOM 315 CB ALA A 20 66.932 0.476 11.380 1.00 0.00 C ATOM 0 H ALA A 20 67.281 -0.148 9.025 1.00 0.00 H new ATOM 0 HA ALA A 20 65.110 -0.505 10.784 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.550 0.771 12.357 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.485 -0.459 11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.595 1.253 11.000 1.00 0.00 H new ATOM 321 N MET A 21 65.456 2.508 9.494 1.00 0.00 N ATOM 322 CA MET A 21 64.781 3.788 9.314 1.00 0.00 C ATOM 323 C MET A 21 63.458 3.596 8.580 1.00 0.00 C ATOM 324 O MET A 21 62.435 4.165 8.963 1.00 0.00 O ATOM 325 CB MET A 21 65.673 4.744 8.521 1.00 0.00 C ATOM 326 CG MET A 21 66.705 5.376 9.458 1.00 0.00 C ATOM 327 SD MET A 21 65.853 6.327 10.740 1.00 0.00 S ATOM 328 CE MET A 21 67.229 6.413 11.911 1.00 0.00 C ATOM 0 H MET A 21 66.311 2.398 8.949 1.00 0.00 H new ATOM 0 HA MET A 21 64.580 4.213 10.298 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.177 4.206 7.718 1.00 0.00 H new ATOM 0 HB3 MET A 21 65.067 5.520 8.054 1.00 0.00 H new ATOM 0 HG2 MET A 21 67.321 4.601 9.914 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.375 6.025 8.894 1.00 0.00 H new ATOM 0 HE1 MET A 21 66.919 6.968 12.796 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.524 5.404 12.200 1.00 0.00 H new ATOM 0 HE3 MET A 21 68.074 6.918 11.443 1.00 0.00 H new ATOM 338 N LYS A 22 63.485 2.791 7.523 1.00 0.00 N ATOM 339 CA LYS A 22 62.281 2.531 6.742 1.00 0.00 C ATOM 340 C LYS A 22 61.226 1.838 7.598 1.00 0.00 C ATOM 341 O LYS A 22 60.032 2.104 7.466 1.00 0.00 O ATOM 342 CB LYS A 22 62.621 1.651 5.537 1.00 0.00 C ATOM 343 CG LYS A 22 61.420 1.594 4.590 1.00 0.00 C ATOM 344 CD LYS A 22 61.790 0.789 3.343 1.00 0.00 C ATOM 345 CE LYS A 22 60.610 0.779 2.372 1.00 0.00 C ATOM 346 NZ LYS A 22 60.982 0.021 1.144 1.00 0.00 N ATOM 0 H LYS A 22 64.321 2.311 7.189 1.00 0.00 H new ATOM 0 HA LYS A 22 61.882 3.484 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.490 2.051 5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 22 62.883 0.647 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.569 1.135 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.118 2.603 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 22 62.666 1.225 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.054 -0.231 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.741 0.322 2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.331 1.800 2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 60.179 0.014 0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 61.800 0.475 0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 61.227 -0.957 1.400 1.00 0.00 H new ATOM 360 N LEU A 23 61.676 0.948 8.478 1.00 0.00 N ATOM 361 CA LEU A 23 60.762 0.223 9.352 1.00 0.00 C ATOM 362 C LEU A 23 59.724 1.169 9.944 1.00 0.00 C ATOM 363 O LEU A 23 58.531 0.866 9.963 1.00 0.00 O ATOM 364 CB LEU A 23 61.543 -0.453 10.481 1.00 0.00 C ATOM 365 CG LEU A 23 61.540 -1.968 10.269 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.484 -2.626 11.276 1.00 0.00 C ATOM 367 CD2 LEU A 23 60.122 -2.507 10.473 1.00 0.00 C ATOM 0 H LEU A 23 62.661 0.713 8.604 1.00 0.00 H new ATOM 0 HA LEU A 23 60.250 -0.536 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.567 -0.080 10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 23 61.095 -0.209 11.444 1.00 0.00 H new ATOM 0 HG LEU A 23 61.874 -2.194 9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.482 -3.705 11.125 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.494 -2.242 11.133 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.150 -2.401 12.289 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.118 -3.587 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.789 -2.281 11.486 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.448 -2.038 9.756 1.00 0.00 H new ATOM 379 N PHE A 24 60.186 2.317 10.428 1.00 0.00 N ATOM 380 CA PHE A 24 59.288 3.303 11.020 1.00 0.00 C ATOM 381 C PHE A 24 58.151 3.635 10.059 1.00 0.00 C ATOM 382 O PHE A 24 57.013 3.845 10.477 1.00 0.00 O ATOM 383 CB PHE A 24 60.061 4.577 11.361 1.00 0.00 C ATOM 384 CG PHE A 24 60.514 4.523 12.800 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.622 3.743 13.155 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.827 5.250 13.779 1.00 0.00 C ATOM 387 CE1 PHE A 24 62.042 3.691 14.490 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.247 5.198 15.113 1.00 0.00 C ATOM 389 CZ PHE A 24 61.354 4.419 15.469 1.00 0.00 C ATOM 0 H PHE A 24 61.170 2.587 10.423 1.00 0.00 H new ATOM 0 HA PHE A 24 58.866 2.882 11.932 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.923 4.679 10.701 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.430 5.451 11.200 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.152 3.182 12.400 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.973 5.851 13.505 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.896 3.090 14.765 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.717 5.759 15.868 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.678 4.379 16.499 1.00 0.00 H new ATOM 399 N GLU A 25 58.468 3.680 8.769 1.00 0.00 N ATOM 400 CA GLU A 25 57.465 3.988 7.756 1.00 0.00 C ATOM 401 C GLU A 25 56.615 2.757 7.456 1.00 0.00 C ATOM 402 O GLU A 25 55.426 2.870 7.159 1.00 0.00 O ATOM 403 CB GLU A 25 58.147 4.464 6.472 1.00 0.00 C ATOM 404 CG GLU A 25 58.852 5.797 6.733 1.00 0.00 C ATOM 405 CD GLU A 25 59.582 6.256 5.476 1.00 0.00 C ATOM 406 OE1 GLU A 25 59.667 5.473 4.546 1.00 0.00 O ATOM 407 OE2 GLU A 25 60.045 7.385 5.462 1.00 0.00 O ATOM 0 H GLU A 25 59.404 3.509 8.402 1.00 0.00 H new ATOM 0 HA GLU A 25 56.820 4.779 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 25 58.867 3.720 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.410 4.580 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.124 6.550 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.559 5.689 7.555 1.00 0.00 H new ATOM 414 N LEU A 26 57.233 1.583 7.536 1.00 0.00 N ATOM 415 CA LEU A 26 56.523 0.337 7.272 1.00 0.00 C ATOM 416 C LEU A 26 55.364 0.166 8.247 1.00 0.00 C ATOM 417 O LEU A 26 54.234 -0.110 7.842 1.00 0.00 O ATOM 418 CB LEU A 26 57.481 -0.848 7.402 1.00 0.00 C ATOM 419 CG LEU A 26 58.599 -0.718 6.366 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.504 -1.949 6.433 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.987 -0.613 4.967 1.00 0.00 C ATOM 0 H LEU A 26 58.217 1.468 7.780 1.00 0.00 H new ATOM 0 HA LEU A 26 56.127 0.373 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 26 57.904 -0.879 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.941 -1.783 7.254 1.00 0.00 H new ATOM 0 HG LEU A 26 59.186 0.176 6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 26 60.300 -1.856 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.940 -2.026 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.918 -2.844 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.783 -0.520 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 26 57.400 -1.508 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.341 0.264 4.917 1.00 0.00 H new ATOM 433 N MET A 27 55.651 0.332 9.534 1.00 0.00 N ATOM 434 CA MET A 27 54.623 0.194 10.560 1.00 0.00 C ATOM 435 C MET A 27 53.426 1.083 10.241 1.00 0.00 C ATOM 436 O MET A 27 52.295 0.777 10.618 1.00 0.00 O ATOM 437 CB MET A 27 55.196 0.575 11.927 1.00 0.00 C ATOM 438 CG MET A 27 54.972 2.069 12.175 1.00 0.00 C ATOM 439 SD MET A 27 53.407 2.306 13.054 1.00 0.00 S ATOM 440 CE MET A 27 54.033 1.994 14.722 1.00 0.00 C ATOM 0 H MET A 27 56.579 0.560 9.890 1.00 0.00 H new ATOM 0 HA MET A 27 54.293 -0.845 10.582 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.716 -0.011 12.711 1.00 0.00 H new ATOM 0 HB3 MET A 27 56.261 0.345 11.964 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.796 2.479 12.759 1.00 0.00 H new ATOM 0 HG3 MET A 27 54.955 2.607 11.227 1.00 0.00 H new ATOM 0 HE1 MET A 27 53.217 1.652 15.359 1.00 0.00 H new ATOM 0 HE2 MET A 27 54.808 1.228 14.683 1.00 0.00 H new ATOM 0 HE3 MET A 27 54.452 2.913 15.131 1.00 0.00 H new ATOM 450 N GLN A 28 53.683 2.185 9.543 1.00 0.00 N ATOM 451 CA GLN A 28 52.618 3.112 9.180 1.00 0.00 C ATOM 452 C GLN A 28 51.894 2.630 7.926 1.00 0.00 C ATOM 453 O GLN A 28 50.666 2.665 7.856 1.00 0.00 O ATOM 454 CB GLN A 28 53.200 4.505 8.930 1.00 0.00 C ATOM 455 CG GLN A 28 52.087 5.549 9.030 1.00 0.00 C ATOM 456 CD GLN A 28 51.581 5.636 10.466 1.00 0.00 C ATOM 457 OE1 GLN A 28 50.400 5.403 10.725 1.00 0.00 O ATOM 458 NE2 GLN A 28 52.410 5.957 11.422 1.00 0.00 N ATOM 0 H GLN A 28 54.612 2.456 9.220 1.00 0.00 H new ATOM 0 HA GLN A 28 51.906 3.158 10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 28 53.981 4.720 9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 28 53.663 4.545 7.944 1.00 0.00 H new ATOM 0 HG2 GLN A 28 52.459 6.521 8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.267 5.284 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 28 53.388 6.150 11.206 1.00 0.00 H new ATOM 0 HE22 GLN A 28 52.080 6.015 12.385 1.00 0.00 H new ATOM 467 N GLY A 29 52.664 2.180 6.941 1.00 0.00 N ATOM 468 CA GLY A 29 52.084 1.694 5.694 1.00 0.00 C ATOM 469 C GLY A 29 51.391 0.351 5.904 1.00 0.00 C ATOM 470 O GLY A 29 50.372 0.063 5.277 1.00 0.00 O ATOM 0 H GLY A 29 53.683 2.142 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.368 2.422 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.865 1.591 4.941 1.00 0.00 H new ATOM 474 N PHE A 30 51.952 -0.466 6.789 1.00 0.00 N ATOM 475 CA PHE A 30 51.379 -1.776 7.075 1.00 0.00 C ATOM 476 C PHE A 30 50.638 -1.759 8.408 1.00 0.00 C ATOM 477 O PHE A 30 51.031 -1.055 9.338 1.00 0.00 O ATOM 478 CB PHE A 30 52.484 -2.833 7.116 1.00 0.00 C ATOM 479 CG PHE A 30 53.366 -2.688 5.900 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.721 -3.037 5.971 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.831 -2.204 4.700 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.539 -2.901 4.844 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.649 -2.069 3.572 1.00 0.00 C ATOM 484 CZ PHE A 30 55.003 -2.418 3.644 1.00 0.00 C ATOM 0 H PHE A 30 52.797 -0.247 7.317 1.00 0.00 H new ATOM 0 HA PHE A 30 50.671 -2.022 6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 30 53.077 -2.719 8.024 1.00 0.00 H new ATOM 0 HB3 PHE A 30 52.046 -3.831 7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 30 55.134 -3.411 6.896 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.787 -1.935 4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 30 56.584 -3.169 4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 30 53.236 -1.696 2.647 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.634 -2.315 2.774 1.00 0.00 H new ATOM 494 N ASP A 31 49.567 -2.541 8.496 1.00 0.00 N ATOM 495 CA ASP A 31 48.780 -2.607 9.721 1.00 0.00 C ATOM 496 C ASP A 31 49.297 -3.719 10.629 1.00 0.00 C ATOM 497 O ASP A 31 48.917 -4.881 10.483 1.00 0.00 O ATOM 498 CB ASP A 31 47.310 -2.862 9.386 1.00 0.00 C ATOM 499 CG ASP A 31 46.750 -1.698 8.576 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.050 -0.567 8.918 1.00 0.00 O ATOM 501 OD2 ASP A 31 46.031 -1.955 7.625 1.00 0.00 O ATOM 0 H ASP A 31 49.226 -3.134 7.739 1.00 0.00 H new ATOM 0 HA ASP A 31 48.873 -1.654 10.242 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.213 -3.789 8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.736 -2.987 10.304 1.00 0.00 H new ATOM 506 N ALA A 32 50.166 -3.354 11.566 1.00 0.00 N ATOM 507 CA ALA A 32 50.730 -4.329 12.493 1.00 0.00 C ATOM 508 C ALA A 32 51.887 -3.719 13.275 1.00 0.00 C ATOM 509 O ALA A 32 52.501 -2.745 12.837 1.00 0.00 O ATOM 510 CB ALA A 32 51.221 -5.556 11.725 1.00 0.00 C ATOM 0 H ALA A 32 50.493 -2.398 11.703 1.00 0.00 H new ATOM 0 HA ALA A 32 49.951 -4.628 13.194 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.641 -6.279 12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.386 -6.010 11.192 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.987 -5.255 11.011 1.00 0.00 H new ATOM 516 N GLU A 33 52.180 -4.296 14.436 1.00 0.00 N ATOM 517 CA GLU A 33 53.268 -3.799 15.272 1.00 0.00 C ATOM 518 C GLU A 33 54.503 -4.681 15.125 1.00 0.00 C ATOM 519 O GLU A 33 54.420 -5.904 15.227 1.00 0.00 O ATOM 520 CB GLU A 33 52.830 -3.772 16.737 1.00 0.00 C ATOM 521 CG GLU A 33 53.874 -3.026 17.569 1.00 0.00 C ATOM 522 CD GLU A 33 53.393 -2.890 19.010 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.274 -3.293 19.280 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.150 -2.382 19.820 1.00 0.00 O ATOM 0 H GLU A 33 51.684 -5.102 14.817 1.00 0.00 H new ATOM 0 HA GLU A 33 53.517 -2.788 14.948 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.860 -3.283 16.828 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.711 -4.789 17.111 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.823 -3.562 17.543 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.054 -2.039 17.142 1.00 0.00 H new ATOM 531 N VAL A 34 55.648 -4.050 14.883 1.00 0.00 N ATOM 532 CA VAL A 34 56.897 -4.787 14.724 1.00 0.00 C ATOM 533 C VAL A 34 57.805 -4.568 15.930 1.00 0.00 C ATOM 534 O VAL A 34 57.821 -3.487 16.518 1.00 0.00 O ATOM 535 CB VAL A 34 57.614 -4.333 13.453 1.00 0.00 C ATOM 536 CG1 VAL A 34 56.799 -4.746 12.228 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.765 -2.810 13.472 1.00 0.00 C ATOM 0 H VAL A 34 55.737 -3.038 14.793 1.00 0.00 H new ATOM 0 HA VAL A 34 56.663 -5.849 14.648 1.00 0.00 H new ATOM 0 HB VAL A 34 58.598 -4.799 13.407 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.312 -4.421 11.323 1.00 0.00 H new ATOM 0 HG12 VAL A 34 56.689 -5.830 12.213 1.00 0.00 H new ATOM 0 HG13 VAL A 34 55.814 -4.282 12.273 1.00 0.00 H new ATOM 0 HG21 VAL A 34 58.276 -2.484 12.566 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.779 -2.347 13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.347 -2.513 14.344 1.00 0.00 H new ATOM 547 N LEU A 35 58.559 -5.600 16.293 1.00 0.00 N ATOM 548 CA LEU A 35 59.466 -5.507 17.430 1.00 0.00 C ATOM 549 C LEU A 35 60.718 -6.345 17.188 1.00 0.00 C ATOM 550 O LEU A 35 60.645 -7.447 16.644 1.00 0.00 O ATOM 551 CB LEU A 35 58.764 -5.993 18.700 1.00 0.00 C ATOM 552 CG LEU A 35 59.790 -6.152 19.823 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.208 -5.607 21.128 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.128 -7.634 19.995 1.00 0.00 C ATOM 0 H LEU A 35 58.560 -6.504 15.820 1.00 0.00 H new ATOM 0 HA LEU A 35 59.758 -4.464 17.552 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.993 -5.282 18.996 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.266 -6.944 18.511 1.00 0.00 H new ATOM 0 HG LEU A 35 60.694 -5.598 19.571 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.940 -5.721 21.928 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.965 -4.551 21.005 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.304 -6.160 21.382 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.859 -7.750 20.795 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.223 -8.187 20.248 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.543 -8.023 19.065 1.00 0.00 H new ATOM 566 N LEU A 36 61.867 -5.815 17.595 1.00 0.00 N ATOM 567 CA LEU A 36 63.130 -6.522 17.417 1.00 0.00 C ATOM 568 C LEU A 36 63.671 -6.998 18.762 1.00 0.00 C ATOM 569 O LEU A 36 63.465 -6.351 19.789 1.00 0.00 O ATOM 570 CB LEU A 36 64.154 -5.602 16.750 1.00 0.00 C ATOM 571 CG LEU A 36 63.578 -5.064 15.439 1.00 0.00 C ATOM 572 CD1 LEU A 36 63.256 -3.577 15.594 1.00 0.00 C ATOM 573 CD2 LEU A 36 64.606 -5.247 14.319 1.00 0.00 C ATOM 0 H LEU A 36 61.950 -4.905 18.047 1.00 0.00 H new ATOM 0 HA LEU A 36 62.953 -7.390 16.781 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.405 -4.776 17.416 1.00 0.00 H new ATOM 0 HB3 LEU A 36 65.078 -6.148 16.557 1.00 0.00 H new ATOM 0 HG LEU A 36 62.667 -5.609 15.192 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.846 -3.194 14.660 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.526 -3.444 16.392 1.00 0.00 H new ATOM 0 HD13 LEU A 36 64.167 -3.031 15.841 1.00 0.00 H new ATOM 0 HD21 LEU A 36 64.197 -4.864 13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 36 65.516 -4.701 14.568 1.00 0.00 H new ATOM 0 HD23 LEU A 36 64.837 -6.306 14.207 1.00 0.00 H new ATOM 585 N ARG A 37 64.362 -8.132 18.747 1.00 0.00 N ATOM 586 CA ARG A 37 64.929 -8.686 19.972 1.00 0.00 C ATOM 587 C ARG A 37 66.240 -9.407 19.677 1.00 0.00 C ATOM 588 O ARG A 37 66.335 -10.182 18.725 1.00 0.00 O ATOM 589 CB ARG A 37 63.940 -9.663 20.610 1.00 0.00 C ATOM 590 CG ARG A 37 64.705 -10.698 21.436 1.00 0.00 C ATOM 591 CD ARG A 37 63.734 -11.427 22.367 1.00 0.00 C ATOM 592 NE ARG A 37 63.232 -10.514 23.387 1.00 0.00 N ATOM 593 CZ ARG A 37 62.381 -10.928 24.322 1.00 0.00 C ATOM 594 NH1 ARG A 37 61.946 -10.092 25.225 1.00 0.00 N ATOM 595 NH2 ARG A 37 61.983 -12.171 24.336 1.00 0.00 N ATOM 0 H ARG A 37 64.543 -8.683 17.908 1.00 0.00 H new ATOM 0 HA ARG A 37 65.126 -7.866 20.662 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.237 -9.123 21.245 1.00 0.00 H new ATOM 0 HB3 ARG A 37 63.354 -10.160 19.837 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.199 -11.412 20.777 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.486 -10.209 22.018 1.00 0.00 H new ATOM 0 HD2 ARG A 37 62.902 -11.833 21.791 1.00 0.00 H new ATOM 0 HD3 ARG A 37 64.236 -12.271 22.840 1.00 0.00 H new ATOM 0 HE ARG A 37 63.539 -9.541 23.384 1.00 0.00 H new ATOM 0 HH11 ARG A 37 62.259 -9.121 25.214 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.294 -10.410 25.942 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.324 -12.824 23.631 1.00 0.00 H new ATOM 0 HH22 ARG A 37 61.331 -12.490 25.052 1.00 0.00 H new ATOM 609 N ASN A 38 67.250 -9.147 20.501 1.00 0.00 N ATOM 610 CA ASN A 38 68.553 -9.777 20.320 1.00 0.00 C ATOM 611 C ASN A 38 68.670 -11.026 21.189 1.00 0.00 C ATOM 612 O ASN A 38 67.921 -11.196 22.151 1.00 0.00 O ATOM 613 CB ASN A 38 69.665 -8.793 20.684 1.00 0.00 C ATOM 614 CG ASN A 38 69.753 -7.693 19.632 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.120 -7.786 18.581 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.507 -6.651 19.852 1.00 0.00 N ATOM 0 H ASN A 38 67.193 -8.509 21.295 1.00 0.00 H new ATOM 0 HA ASN A 38 68.653 -10.066 19.274 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.469 -8.356 21.663 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.618 -9.318 20.754 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.572 -5.912 19.152 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.031 -6.576 20.724 1.00 0.00 H new ATOM 623 N ASP A 39 69.615 -11.895 20.844 1.00 0.00 N ATOM 624 CA ASP A 39 69.821 -13.124 21.600 1.00 0.00 C ATOM 625 C ASP A 39 69.988 -12.817 23.086 1.00 0.00 C ATOM 626 O ASP A 39 69.569 -13.597 23.941 1.00 0.00 O ATOM 627 CB ASP A 39 71.062 -13.853 21.085 1.00 0.00 C ATOM 628 CG ASP A 39 70.699 -14.717 19.882 1.00 0.00 C ATOM 629 OD1 ASP A 39 69.602 -14.556 19.372 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.521 -15.527 19.489 1.00 0.00 O ATOM 0 H ASP A 39 70.246 -11.772 20.052 1.00 0.00 H new ATOM 0 HA ASP A 39 68.946 -13.761 21.468 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.829 -13.130 20.806 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.483 -14.474 21.875 1.00 0.00 H new ATOM 635 N GLU A 40 70.603 -11.678 23.384 1.00 0.00 N ATOM 636 CA GLU A 40 70.821 -11.278 24.769 1.00 0.00 C ATOM 637 C GLU A 40 69.490 -11.019 25.467 1.00 0.00 C ATOM 638 O GLU A 40 69.440 -10.846 26.685 1.00 0.00 O ATOM 639 CB GLU A 40 71.681 -10.014 24.819 1.00 0.00 C ATOM 640 CG GLU A 40 73.092 -10.337 24.322 1.00 0.00 C ATOM 641 CD GLU A 40 73.897 -9.052 24.169 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.292 -7.993 24.168 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.108 -9.144 24.057 1.00 0.00 O ATOM 0 H GLU A 40 70.957 -11.019 22.690 1.00 0.00 H new ATOM 0 HA GLU A 40 71.337 -12.088 25.285 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.236 -9.234 24.201 1.00 0.00 H new ATOM 0 HB3 GLU A 40 71.722 -9.629 25.838 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.589 -11.006 25.024 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.039 -10.859 23.367 1.00 0.00 H new ATOM 650 N GLY A 41 68.413 -10.994 24.688 1.00 0.00 N ATOM 651 CA GLY A 41 67.086 -10.755 25.244 1.00 0.00 C ATOM 652 C GLY A 41 66.755 -9.267 25.245 1.00 0.00 C ATOM 653 O GLY A 41 65.740 -8.848 25.800 1.00 0.00 O ATOM 0 H GLY A 41 68.432 -11.135 23.678 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.341 -11.297 24.662 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.039 -11.143 26.262 1.00 0.00 H new ATOM 657 N THR A 42 67.619 -8.473 24.621 1.00 0.00 N ATOM 658 CA THR A 42 67.408 -7.032 24.557 1.00 0.00 C ATOM 659 C THR A 42 66.349 -6.691 23.513 1.00 0.00 C ATOM 660 O THR A 42 66.566 -6.867 22.313 1.00 0.00 O ATOM 661 CB THR A 42 68.720 -6.327 24.205 1.00 0.00 C ATOM 662 OG1 THR A 42 69.487 -6.141 25.386 1.00 0.00 O ATOM 663 CG2 THR A 42 68.417 -4.967 23.572 1.00 0.00 C ATOM 0 H THR A 42 68.466 -8.800 24.156 1.00 0.00 H new ATOM 0 HA THR A 42 67.063 -6.691 25.533 1.00 0.00 H new ATOM 0 HB THR A 42 69.282 -6.937 23.498 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.328 -5.691 25.162 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.352 -4.466 23.322 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.828 -5.110 22.666 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.855 -4.355 24.277 1.00 0.00 H new ATOM 671 N GLU A 43 65.202 -6.205 23.977 1.00 0.00 N ATOM 672 CA GLU A 43 64.116 -5.844 23.074 1.00 0.00 C ATOM 673 C GLU A 43 64.406 -4.512 22.390 1.00 0.00 C ATOM 674 O GLU A 43 64.212 -3.447 22.977 1.00 0.00 O ATOM 675 CB GLU A 43 62.801 -5.746 23.850 1.00 0.00 C ATOM 676 CG GLU A 43 62.384 -7.139 24.327 1.00 0.00 C ATOM 677 CD GLU A 43 61.091 -7.048 25.131 1.00 0.00 C ATOM 678 OE1 GLU A 43 60.656 -5.939 25.393 1.00 0.00 O ATOM 679 OE2 GLU A 43 60.556 -8.090 25.474 1.00 0.00 O ATOM 0 H GLU A 43 65.002 -6.053 24.966 1.00 0.00 H new ATOM 0 HA GLU A 43 64.031 -6.619 22.312 1.00 0.00 H new ATOM 0 HB2 GLU A 43 62.919 -5.078 24.703 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.024 -5.319 23.216 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.244 -7.799 23.471 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.173 -7.574 24.940 1.00 0.00 H new ATOM 686 N ALA A 44 64.873 -4.578 21.148 1.00 0.00 N ATOM 687 CA ALA A 44 65.186 -3.370 20.394 1.00 0.00 C ATOM 688 C ALA A 44 63.933 -2.817 19.724 1.00 0.00 C ATOM 689 O ALA A 44 63.888 -2.658 18.505 1.00 0.00 O ATOM 690 CB ALA A 44 66.243 -3.679 19.330 1.00 0.00 C ATOM 0 H ALA A 44 65.042 -5.449 20.645 1.00 0.00 H new ATOM 0 HA ALA A 44 65.574 -2.622 21.085 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.472 -2.772 18.770 1.00 0.00 H new ATOM 0 HB2 ALA A 44 67.149 -4.046 19.813 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.862 -4.439 18.648 1.00 0.00 H new ATOM 696 N GLU A 45 62.917 -2.525 20.530 1.00 0.00 N ATOM 697 CA GLU A 45 61.667 -1.988 20.004 1.00 0.00 C ATOM 698 C GLU A 45 61.943 -0.956 18.916 1.00 0.00 C ATOM 699 O GLU A 45 62.603 0.055 19.159 1.00 0.00 O ATOM 700 CB GLU A 45 60.863 -1.345 21.126 1.00 0.00 C ATOM 701 CG GLU A 45 60.802 -2.311 22.293 1.00 0.00 C ATOM 702 CD GLU A 45 61.843 -1.934 23.342 1.00 0.00 C ATOM 703 OE1 GLU A 45 61.606 -2.206 24.508 1.00 0.00 O ATOM 704 OE2 GLU A 45 62.862 -1.380 22.965 1.00 0.00 O ATOM 0 H GLU A 45 62.934 -2.650 21.542 1.00 0.00 H new ATOM 0 HA GLU A 45 61.094 -2.809 19.573 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.327 -0.408 21.434 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.857 -1.105 20.781 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.806 -2.296 22.736 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.979 -3.328 21.943 1.00 0.00 H new ATOM 711 N ALA A 46 61.433 -1.217 17.717 1.00 0.00 N ATOM 712 CA ALA A 46 61.631 -0.302 16.598 1.00 0.00 C ATOM 713 C ALA A 46 61.081 1.081 16.933 1.00 0.00 C ATOM 714 O ALA A 46 61.581 2.095 16.446 1.00 0.00 O ATOM 715 CB ALA A 46 60.932 -0.843 15.350 1.00 0.00 C ATOM 0 H ALA A 46 60.884 -2.048 17.496 1.00 0.00 H new ATOM 0 HA ALA A 46 62.701 -0.219 16.407 1.00 0.00 H new ATOM 0 HB1 ALA A 46 61.085 -0.154 14.520 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.348 -1.818 15.094 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.864 -0.944 15.546 1.00 0.00 H new ATOM 721 N ASN A 47 60.047 1.114 17.768 1.00 0.00 N ATOM 722 CA ASN A 47 59.436 2.378 18.162 1.00 0.00 C ATOM 723 C ASN A 47 60.321 3.111 19.166 1.00 0.00 C ATOM 724 O ASN A 47 59.847 3.956 19.926 1.00 0.00 O ATOM 725 CB ASN A 47 58.061 2.124 18.782 1.00 0.00 C ATOM 726 CG ASN A 47 58.177 2.061 20.301 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.622 2.905 21.003 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.871 1.104 20.854 1.00 0.00 N ATOM 0 H ASN A 47 59.618 0.287 18.182 1.00 0.00 H new ATOM 0 HA ASN A 47 59.324 2.998 17.272 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.371 2.917 18.494 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.648 1.190 18.402 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.954 1.055 21.869 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.331 0.405 20.271 1.00 0.00 H new ATOM 735 N SER A 48 61.609 2.782 19.162 1.00 0.00 N ATOM 736 CA SER A 48 62.551 3.416 20.077 1.00 0.00 C ATOM 737 C SER A 48 63.897 3.633 19.393 1.00 0.00 C ATOM 738 O SER A 48 64.531 2.683 18.934 1.00 0.00 O ATOM 739 CB SER A 48 62.742 2.543 21.317 1.00 0.00 C ATOM 740 OG SER A 48 61.885 3.005 22.352 1.00 0.00 O ATOM 0 H SER A 48 62.022 2.086 18.541 1.00 0.00 H new ATOM 0 HA SER A 48 62.146 4.384 20.373 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.519 1.502 21.081 1.00 0.00 H new ATOM 0 HB3 SER A 48 63.781 2.580 21.645 1.00 0.00 H new ATOM 0 HG SER A 48 62.003 2.446 23.148 1.00 0.00 H new ATOM 746 N VAL A 49 64.327 4.889 19.329 1.00 0.00 N ATOM 747 CA VAL A 49 65.600 5.219 18.698 1.00 0.00 C ATOM 748 C VAL A 49 66.759 4.607 19.478 1.00 0.00 C ATOM 749 O VAL A 49 67.749 4.167 18.893 1.00 0.00 O ATOM 750 CB VAL A 49 65.771 6.737 18.633 1.00 0.00 C ATOM 751 CG1 VAL A 49 64.668 7.339 17.760 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.679 7.322 20.044 1.00 0.00 C ATOM 0 H VAL A 49 63.817 5.689 19.703 1.00 0.00 H new ATOM 0 HA VAL A 49 65.601 4.810 17.688 1.00 0.00 H new ATOM 0 HB VAL A 49 66.744 6.974 18.203 1.00 0.00 H new ATOM 0 HG11 VAL A 49 64.790 8.421 17.714 1.00 0.00 H new ATOM 0 HG12 VAL A 49 64.732 6.923 16.754 1.00 0.00 H new ATOM 0 HG13 VAL A 49 63.694 7.102 18.189 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.801 8.404 19.998 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.706 7.084 20.474 1.00 0.00 H new ATOM 0 HG23 VAL A 49 66.465 6.895 20.667 1.00 0.00 H new ATOM 762 N ILE A 50 66.629 4.582 20.801 1.00 0.00 N ATOM 763 CA ILE A 50 67.672 4.020 21.650 1.00 0.00 C ATOM 764 C ILE A 50 67.877 2.540 21.343 1.00 0.00 C ATOM 765 O ILE A 50 68.998 2.035 21.396 1.00 0.00 O ATOM 766 CB ILE A 50 67.295 4.190 23.122 1.00 0.00 C ATOM 767 CG1 ILE A 50 67.323 5.676 23.488 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.295 3.433 23.997 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.581 5.891 24.808 1.00 0.00 C ATOM 0 H ILE A 50 65.818 4.942 21.305 1.00 0.00 H new ATOM 0 HA ILE A 50 68.602 4.552 21.449 1.00 0.00 H new ATOM 0 HB ILE A 50 66.294 3.793 23.287 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.353 6.020 23.578 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.858 6.265 22.697 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.026 3.555 25.046 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.277 2.374 23.738 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.297 3.830 23.831 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.601 6.949 25.068 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.547 5.563 24.702 1.00 0.00 H new ATOM 0 HD13 ILE A 50 67.065 5.314 25.596 1.00 0.00 H new ATOM 781 N ALA A 51 66.786 1.853 21.021 1.00 0.00 N ATOM 782 CA ALA A 51 66.857 0.431 20.706 1.00 0.00 C ATOM 783 C ALA A 51 67.654 0.204 19.426 1.00 0.00 C ATOM 784 O ALA A 51 68.490 -0.697 19.355 1.00 0.00 O ATOM 785 CB ALA A 51 65.447 -0.140 20.540 1.00 0.00 C ATOM 0 H ALA A 51 65.849 2.254 20.971 1.00 0.00 H new ATOM 0 HA ALA A 51 67.360 -0.078 21.528 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.510 -1.202 20.305 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.889 -0.006 21.467 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.936 0.381 19.730 1.00 0.00 H new ATOM 791 N LEU A 52 67.390 1.026 18.416 1.00 0.00 N ATOM 792 CA LEU A 52 68.090 0.906 17.142 1.00 0.00 C ATOM 793 C LEU A 52 69.595 1.051 17.341 1.00 0.00 C ATOM 794 O LEU A 52 70.387 0.399 16.661 1.00 0.00 O ATOM 795 CB LEU A 52 67.595 1.980 16.171 1.00 0.00 C ATOM 796 CG LEU A 52 66.717 1.334 15.100 1.00 0.00 C ATOM 797 CD1 LEU A 52 65.550 0.604 15.767 1.00 0.00 C ATOM 798 CD2 LEU A 52 66.172 2.417 14.167 1.00 0.00 C ATOM 0 H LEU A 52 66.701 1.778 18.454 1.00 0.00 H new ATOM 0 HA LEU A 52 67.884 -0.081 16.727 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.029 2.740 16.710 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.443 2.484 15.706 1.00 0.00 H new ATOM 0 HG LEU A 52 67.310 0.622 14.526 1.00 0.00 H new ATOM 0 HD11 LEU A 52 64.924 0.144 15.003 1.00 0.00 H new ATOM 0 HD12 LEU A 52 65.936 -0.168 16.433 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.957 1.315 16.342 1.00 0.00 H new ATOM 0 HD21 LEU A 52 65.546 1.957 13.403 1.00 0.00 H new ATOM 0 HD22 LEU A 52 65.579 3.128 14.742 1.00 0.00 H new ATOM 0 HD23 LEU A 52 67.002 2.938 13.690 1.00 0.00 H new ATOM 810 N LEU A 53 69.983 1.910 18.279 1.00 0.00 N ATOM 811 CA LEU A 53 71.397 2.132 18.560 1.00 0.00 C ATOM 812 C LEU A 53 72.021 0.889 19.187 1.00 0.00 C ATOM 813 O LEU A 53 73.191 0.587 18.957 1.00 0.00 O ATOM 814 CB LEU A 53 71.560 3.322 19.508 1.00 0.00 C ATOM 815 CG LEU A 53 72.194 4.491 18.754 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.598 4.099 18.289 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.334 4.840 17.539 1.00 0.00 C ATOM 0 H LEU A 53 69.344 2.460 18.853 1.00 0.00 H new ATOM 0 HA LEU A 53 71.906 2.344 17.620 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.590 3.617 19.909 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.184 3.042 20.357 1.00 0.00 H new ATOM 0 HG LEU A 53 72.259 5.356 19.414 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.049 4.933 17.751 1.00 0.00 H new ATOM 0 HD12 LEU A 53 74.212 3.850 19.155 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.534 3.234 17.629 1.00 0.00 H new ATOM 0 HD21 LEU A 53 71.786 5.674 17.001 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.268 3.975 16.879 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.334 5.121 17.870 1.00 0.00 H new ATOM 829 N MET A 54 71.230 0.173 19.981 1.00 0.00 N ATOM 830 CA MET A 54 71.716 -1.035 20.637 1.00 0.00 C ATOM 831 C MET A 54 71.958 -2.140 19.614 1.00 0.00 C ATOM 832 O MET A 54 72.893 -2.928 19.748 1.00 0.00 O ATOM 833 CB MET A 54 70.697 -1.512 21.674 1.00 0.00 C ATOM 834 CG MET A 54 70.567 -0.465 22.782 1.00 0.00 C ATOM 835 SD MET A 54 72.027 -0.532 23.849 1.00 0.00 S ATOM 836 CE MET A 54 71.515 0.751 25.016 1.00 0.00 C ATOM 0 H MET A 54 70.258 0.406 20.184 1.00 0.00 H new ATOM 0 HA MET A 54 72.658 -0.802 21.133 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.730 -1.677 21.200 1.00 0.00 H new ATOM 0 HB3 MET A 54 71.012 -2.466 22.096 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.466 0.530 22.347 1.00 0.00 H new ATOM 0 HG3 MET A 54 69.666 -0.650 23.368 1.00 0.00 H new ATOM 0 HE1 MET A 54 72.285 0.878 25.777 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.372 1.691 24.483 1.00 0.00 H new ATOM 0 HE3 MET A 54 70.579 0.458 25.492 1.00 0.00 H new ATOM 846 N LEU A 55 71.109 -2.191 18.593 1.00 0.00 N ATOM 847 CA LEU A 55 71.239 -3.204 17.553 1.00 0.00 C ATOM 848 C LEU A 55 72.563 -3.045 16.811 1.00 0.00 C ATOM 849 O LEU A 55 73.090 -4.003 16.247 1.00 0.00 O ATOM 850 CB LEU A 55 70.080 -3.088 16.562 1.00 0.00 C ATOM 851 CG LEU A 55 68.770 -3.453 17.262 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.598 -3.220 16.308 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.808 -4.928 17.673 1.00 0.00 C ATOM 0 H LEU A 55 70.329 -1.547 18.464 1.00 0.00 H new ATOM 0 HA LEU A 55 71.216 -4.186 18.025 1.00 0.00 H new ATOM 0 HB2 LEU A 55 70.024 -2.073 16.169 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.247 -3.750 15.712 1.00 0.00 H new ATOM 0 HG LEU A 55 68.645 -2.830 18.148 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.665 -3.480 16.808 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.572 -2.171 16.014 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.721 -3.843 15.422 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.875 -5.191 18.172 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.933 -5.550 16.786 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.643 -5.095 18.353 1.00 0.00 H new ATOM 865 N ASP A 56 73.095 -1.826 16.816 1.00 0.00 N ATOM 866 CA ASP A 56 74.358 -1.553 16.141 1.00 0.00 C ATOM 867 C ASP A 56 75.439 -2.521 16.612 1.00 0.00 C ATOM 868 O ASP A 56 76.302 -2.929 15.835 1.00 0.00 O ATOM 869 CB ASP A 56 74.801 -0.116 16.421 1.00 0.00 C ATOM 870 CG ASP A 56 73.909 0.861 15.663 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.135 0.408 14.836 1.00 0.00 O ATOM 872 OD2 ASP A 56 74.013 2.050 15.920 1.00 0.00 O ATOM 0 H ASP A 56 72.675 -1.018 17.276 1.00 0.00 H new ATOM 0 HA ASP A 56 74.210 -1.685 15.069 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.750 0.087 17.491 1.00 0.00 H new ATOM 0 HB3 ASP A 56 75.840 0.018 16.120 1.00 0.00 H new ATOM 877 N SER A 57 75.384 -2.884 17.889 1.00 0.00 N ATOM 878 CA SER A 57 76.364 -3.806 18.454 1.00 0.00 C ATOM 879 C SER A 57 75.979 -5.250 18.149 1.00 0.00 C ATOM 880 O SER A 57 76.660 -6.186 18.568 1.00 0.00 O ATOM 881 CB SER A 57 76.455 -3.609 19.967 1.00 0.00 C ATOM 882 OG SER A 57 76.918 -2.293 20.242 1.00 0.00 O ATOM 0 H SER A 57 74.678 -2.557 18.548 1.00 0.00 H new ATOM 0 HA SER A 57 77.334 -3.597 18.002 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.479 -3.767 20.425 1.00 0.00 H new ATOM 0 HB3 SER A 57 77.133 -4.344 20.401 1.00 0.00 H new ATOM 0 HG SER A 57 76.976 -2.163 21.212 1.00 0.00 H new ATOM 888 N ALA A 58 74.883 -5.424 17.417 1.00 0.00 N ATOM 889 CA ALA A 58 74.418 -6.759 17.061 1.00 0.00 C ATOM 890 C ALA A 58 75.129 -7.260 15.808 1.00 0.00 C ATOM 891 O ALA A 58 74.581 -8.059 15.050 1.00 0.00 O ATOM 892 CB ALA A 58 72.908 -6.738 16.819 1.00 0.00 C ATOM 0 H ALA A 58 74.304 -4.663 17.061 1.00 0.00 H new ATOM 0 HA ALA A 58 74.645 -7.434 17.887 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.568 -7.739 16.553 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.399 -6.410 17.725 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.679 -6.050 16.005 1.00 0.00 H new ATOM 898 N LYS A 59 76.352 -6.783 15.598 1.00 0.00 N ATOM 899 CA LYS A 59 77.128 -7.189 14.432 1.00 0.00 C ATOM 900 C LYS A 59 77.678 -8.600 14.620 1.00 0.00 C ATOM 901 O LYS A 59 78.723 -8.793 15.241 1.00 0.00 O ATOM 902 CB LYS A 59 78.286 -6.214 14.211 1.00 0.00 C ATOM 903 CG LYS A 59 79.013 -6.571 12.912 1.00 0.00 C ATOM 904 CD LYS A 59 80.167 -5.593 12.688 1.00 0.00 C ATOM 905 CE LYS A 59 80.899 -5.954 11.393 1.00 0.00 C ATOM 906 NZ LYS A 59 82.025 -5.002 11.176 1.00 0.00 N ATOM 0 H LYS A 59 76.824 -6.121 16.214 1.00 0.00 H new ATOM 0 HA LYS A 59 76.473 -7.179 13.561 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.910 -5.192 14.161 1.00 0.00 H new ATOM 0 HB3 LYS A 59 78.978 -6.258 15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 59 79.392 -7.592 12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.320 -6.531 12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.787 -4.573 12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.857 -5.630 13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.277 -6.975 11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.209 -5.916 10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 82.522 -5.247 10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.652 -4.034 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 82.687 -5.060 11.976 1.00 0.00 H new ATOM 920 N GLY A 60 76.966 -9.583 14.077 1.00 0.00 N ATOM 921 CA GLY A 60 77.392 -10.974 14.191 1.00 0.00 C ATOM 922 C GLY A 60 76.509 -11.735 15.173 1.00 0.00 C ATOM 923 O GLY A 60 76.761 -12.902 15.474 1.00 0.00 O ATOM 0 H GLY A 60 76.099 -9.444 13.558 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.351 -11.452 13.212 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.430 -11.015 14.522 1.00 0.00 H new ATOM 927 N ARG A 61 75.472 -11.068 15.670 1.00 0.00 N ATOM 928 CA ARG A 61 74.557 -11.693 16.618 1.00 0.00 C ATOM 929 C ARG A 61 73.220 -11.997 15.952 1.00 0.00 C ATOM 930 O ARG A 61 72.905 -11.454 14.892 1.00 0.00 O ATOM 931 CB ARG A 61 74.334 -10.768 17.816 1.00 0.00 C ATOM 932 CG ARG A 61 75.533 -10.860 18.763 1.00 0.00 C ATOM 933 CD ARG A 61 75.372 -9.840 19.891 1.00 0.00 C ATOM 934 NE ARG A 61 76.371 -10.073 20.928 1.00 0.00 N ATOM 935 CZ ARG A 61 76.566 -9.193 21.904 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.466 -9.423 22.820 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.857 -8.097 21.946 1.00 0.00 N ATOM 0 H ARG A 61 75.245 -10.102 15.434 1.00 0.00 H new ATOM 0 HA ARG A 61 75.001 -12.628 16.959 1.00 0.00 H new ATOM 0 HB2 ARG A 61 74.204 -9.741 17.476 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.421 -11.049 18.340 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.607 -11.866 19.176 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.457 -10.671 18.216 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.477 -8.830 19.495 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.371 -9.913 20.317 1.00 0.00 H new ATOM 0 HE ARG A 61 76.929 -10.926 20.903 1.00 0.00 H new ATOM 0 HH11 ARG A 61 78.020 -10.279 22.787 1.00 0.00 H new ATOM 0 HH12 ARG A 61 77.615 -8.747 23.569 1.00 0.00 H new ATOM 0 HH21 ARG A 61 75.154 -7.917 21.230 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.007 -7.421 22.695 1.00 0.00 H new ATOM 951 N GLN A 62 72.437 -12.869 16.578 1.00 0.00 N ATOM 952 CA GLN A 62 71.134 -13.239 16.035 1.00 0.00 C ATOM 953 C GLN A 62 70.022 -12.469 16.739 1.00 0.00 C ATOM 954 O GLN A 62 70.130 -12.145 17.922 1.00 0.00 O ATOM 955 CB GLN A 62 70.905 -14.741 16.207 1.00 0.00 C ATOM 956 CG GLN A 62 71.967 -15.513 15.420 1.00 0.00 C ATOM 957 CD GLN A 62 71.727 -17.013 15.555 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.584 -17.467 15.513 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.745 -17.815 15.715 1.00 0.00 N ATOM 0 H GLN A 62 72.679 -13.330 17.455 1.00 0.00 H new ATOM 0 HA GLN A 62 71.118 -12.988 14.974 1.00 0.00 H new ATOM 0 HB2 GLN A 62 70.953 -15.008 17.263 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.909 -15.010 15.855 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.935 -15.224 14.369 1.00 0.00 H new ATOM 0 HG3 GLN A 62 72.961 -15.260 15.790 1.00 0.00 H new ATOM 0 HE21 GLN A 62 73.692 -17.437 15.750 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.594 -18.820 15.805 1.00 0.00 H new ATOM 968 N ILE A 63 68.954 -12.177 16.004 1.00 0.00 N ATOM 969 CA ILE A 63 67.827 -11.443 16.568 1.00 0.00 C ATOM 970 C ILE A 63 66.508 -12.097 16.169 1.00 0.00 C ATOM 971 O ILE A 63 66.447 -12.854 15.201 1.00 0.00 O ATOM 972 CB ILE A 63 67.850 -9.995 16.078 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.545 -9.960 14.578 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.233 -9.391 16.330 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.674 -8.526 14.063 1.00 0.00 C ATOM 0 H ILE A 63 68.845 -12.435 15.023 1.00 0.00 H new ATOM 0 HA ILE A 63 67.913 -11.460 17.654 1.00 0.00 H new ATOM 0 HB ILE A 63 67.098 -9.418 16.617 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.233 -10.613 14.041 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.539 -10.335 14.392 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.248 -8.359 15.980 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.452 -9.416 17.398 1.00 0.00 H new ATOM 0 HG23 ILE A 63 69.985 -9.968 15.792 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.457 -8.502 12.995 1.00 0.00 H new ATOM 0 HD12 ILE A 63 66.968 -7.885 14.591 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.689 -8.168 14.235 1.00 0.00 H new ATOM 987 N GLU A 64 65.453 -11.797 16.920 1.00 0.00 N ATOM 988 CA GLU A 64 64.138 -12.360 16.635 1.00 0.00 C ATOM 989 C GLU A 64 63.134 -11.251 16.338 1.00 0.00 C ATOM 990 O GLU A 64 62.644 -10.583 17.249 1.00 0.00 O ATOM 991 CB GLU A 64 63.652 -13.184 17.829 1.00 0.00 C ATOM 992 CG GLU A 64 64.852 -13.820 18.534 1.00 0.00 C ATOM 993 CD GLU A 64 64.371 -14.773 19.624 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.371 -14.466 20.252 1.00 0.00 O ATOM 995 OE2 GLU A 64 65.009 -15.795 19.813 1.00 0.00 O ATOM 0 H GLU A 64 65.482 -11.172 17.725 1.00 0.00 H new ATOM 0 HA GLU A 64 64.221 -13.004 15.760 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.104 -12.548 18.524 1.00 0.00 H new ATOM 0 HB3 GLU A 64 62.962 -13.958 17.493 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.465 -14.360 17.812 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.482 -13.044 18.969 1.00 0.00 H new ATOM 1002 N VAL A 65 62.832 -11.060 15.058 1.00 0.00 N ATOM 1003 CA VAL A 65 61.885 -10.029 14.652 1.00 0.00 C ATOM 1004 C VAL A 65 60.452 -10.527 14.806 1.00 0.00 C ATOM 1005 O VAL A 65 60.072 -11.543 14.225 1.00 0.00 O ATOM 1006 CB VAL A 65 62.137 -9.632 13.196 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.254 -8.438 12.832 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.607 -9.251 13.020 1.00 0.00 C ATOM 0 H VAL A 65 63.226 -11.602 14.289 1.00 0.00 H new ATOM 0 HA VAL A 65 62.026 -9.160 15.294 1.00 0.00 H new ATOM 0 HB VAL A 65 61.898 -10.472 12.544 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.434 -8.155 11.795 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.206 -8.709 12.958 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.492 -7.597 13.484 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.788 -8.968 11.983 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.846 -8.411 13.672 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.237 -10.102 13.279 1.00 0.00 H new ATOM 1018 N GLU A 66 59.661 -9.805 15.593 1.00 0.00 N ATOM 1019 CA GLU A 66 58.270 -10.185 15.817 1.00 0.00 C ATOM 1020 C GLU A 66 57.328 -9.122 15.258 1.00 0.00 C ATOM 1021 O GLU A 66 57.540 -7.925 15.456 1.00 0.00 O ATOM 1022 CB GLU A 66 58.011 -10.363 17.313 1.00 0.00 C ATOM 1023 CG GLU A 66 56.506 -10.472 17.562 1.00 0.00 C ATOM 1024 CD GLU A 66 56.246 -10.997 18.969 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.210 -11.234 19.680 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.088 -11.155 19.318 1.00 0.00 O ATOM 0 H GLU A 66 59.956 -8.960 16.083 1.00 0.00 H new ATOM 0 HA GLU A 66 58.083 -11.127 15.302 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.516 -11.258 17.676 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.422 -9.519 17.867 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.037 -9.496 17.437 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.055 -11.139 16.827 1.00 0.00 H new ATOM 1033 N ALA A 67 56.288 -9.567 14.561 1.00 0.00 N ATOM 1034 CA ALA A 67 55.320 -8.646 13.979 1.00 0.00 C ATOM 1035 C ALA A 67 53.897 -9.138 14.225 1.00 0.00 C ATOM 1036 O ALA A 67 53.585 -10.305 13.990 1.00 0.00 O ATOM 1037 CB ALA A 67 55.564 -8.514 12.475 1.00 0.00 C ATOM 0 H ALA A 67 56.095 -10.553 14.386 1.00 0.00 H new ATOM 0 HA ALA A 67 55.442 -7.672 14.453 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.836 -7.824 12.048 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.571 -8.133 12.302 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.459 -9.491 12.002 1.00 0.00 H new ATOM 1043 N THR A 68 53.039 -8.241 14.701 1.00 0.00 N ATOM 1044 CA THR A 68 51.652 -8.598 14.975 1.00 0.00 C ATOM 1045 C THR A 68 50.702 -7.670 14.226 1.00 0.00 C ATOM 1046 O THR A 68 50.839 -6.447 14.282 1.00 0.00 O ATOM 1047 CB THR A 68 51.377 -8.507 16.478 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.329 -9.294 17.180 1.00 0.00 O ATOM 1049 CG2 THR A 68 49.968 -9.023 16.773 1.00 0.00 C ATOM 0 H THR A 68 53.277 -7.270 14.903 1.00 0.00 H new ATOM 0 HA THR A 68 51.486 -9.620 14.636 1.00 0.00 H new ATOM 0 HB THR A 68 51.455 -7.469 16.800 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.156 -9.236 18.143 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.773 -8.958 17.843 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.239 -8.418 16.234 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.886 -10.061 16.452 1.00 0.00 H new ATOM 1057 N GLY A 69 49.738 -8.258 13.524 1.00 0.00 N ATOM 1058 CA GLY A 69 48.771 -7.474 12.766 1.00 0.00 C ATOM 1059 C GLY A 69 48.449 -8.144 11.435 1.00 0.00 C ATOM 1060 O GLY A 69 49.174 -9.030 10.982 1.00 0.00 O ATOM 0 H GLY A 69 49.607 -9.268 13.465 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.857 -7.355 13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.167 -6.474 12.588 1.00 0.00 H new ATOM 1064 N PRO A 70 47.378 -7.736 10.810 1.00 0.00 N ATOM 1065 CA PRO A 70 46.942 -8.301 9.502 1.00 0.00 C ATOM 1066 C PRO A 70 48.091 -8.392 8.502 1.00 0.00 C ATOM 1067 O PRO A 70 48.298 -9.429 7.871 1.00 0.00 O ATOM 1068 CB PRO A 70 45.875 -7.317 9.020 1.00 0.00 C ATOM 1069 CG PRO A 70 45.336 -6.677 10.257 1.00 0.00 C ATOM 1070 CD PRO A 70 46.466 -6.686 11.288 1.00 0.00 C ATOM 0 HA PRO A 70 46.573 -9.322 9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.302 -6.573 8.347 1.00 0.00 H new ATOM 0 HB3 PRO A 70 45.087 -7.831 8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 70 45.007 -5.658 10.053 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.469 -7.223 10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.965 -5.718 11.341 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.092 -6.907 12.288 1.00 0.00 H new ATOM 1078 N GLN A 71 48.837 -7.300 8.364 1.00 0.00 N ATOM 1079 CA GLN A 71 49.964 -7.268 7.439 1.00 0.00 C ATOM 1080 C GLN A 71 51.255 -7.646 8.155 1.00 0.00 C ATOM 1081 O GLN A 71 52.344 -7.540 7.589 1.00 0.00 O ATOM 1082 CB GLN A 71 50.103 -5.869 6.834 1.00 0.00 C ATOM 1083 CG GLN A 71 48.876 -5.560 5.974 1.00 0.00 C ATOM 1084 CD GLN A 71 48.983 -4.152 5.401 1.00 0.00 C ATOM 1085 OE1 GLN A 71 50.023 -3.780 4.855 1.00 0.00 O ATOM 1086 NE2 GLN A 71 47.966 -3.340 5.492 1.00 0.00 N ATOM 0 H GLN A 71 48.683 -6.432 8.877 1.00 0.00 H new ATOM 0 HA GLN A 71 49.779 -7.990 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.201 -5.127 7.626 1.00 0.00 H new ATOM 0 HB3 GLN A 71 51.008 -5.811 6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.797 -6.286 5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 71 47.970 -5.650 6.573 1.00 0.00 H new ATOM 0 HE21 GLN A 71 47.106 -3.649 5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 71 48.031 -2.396 5.111 1.00 0.00 H new ATOM 1095 N GLU A 72 51.129 -8.086 9.402 1.00 0.00 N ATOM 1096 CA GLU A 72 52.294 -8.478 10.186 1.00 0.00 C ATOM 1097 C GLU A 72 53.300 -9.222 9.315 1.00 0.00 C ATOM 1098 O GLU A 72 54.511 -9.081 9.489 1.00 0.00 O ATOM 1099 CB GLU A 72 51.864 -9.373 11.350 1.00 0.00 C ATOM 1100 CG GLU A 72 51.362 -10.713 10.806 1.00 0.00 C ATOM 1101 CD GLU A 72 50.717 -11.521 11.927 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.429 -10.940 12.960 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.521 -12.710 11.735 1.00 0.00 O ATOM 0 H GLU A 72 50.238 -8.180 9.889 1.00 0.00 H new ATOM 0 HA GLU A 72 52.765 -7.576 10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.703 -9.535 12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.078 -8.885 11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.640 -10.543 10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.191 -11.273 10.373 1.00 0.00 H new ATOM 1110 N GLU A 73 52.792 -10.014 8.376 1.00 0.00 N ATOM 1111 CA GLU A 73 53.656 -10.775 7.482 1.00 0.00 C ATOM 1112 C GLU A 73 54.444 -9.838 6.571 1.00 0.00 C ATOM 1113 O GLU A 73 55.653 -9.995 6.401 1.00 0.00 O ATOM 1114 CB GLU A 73 52.816 -11.730 6.631 1.00 0.00 C ATOM 1115 CG GLU A 73 52.129 -12.752 7.539 1.00 0.00 C ATOM 1116 CD GLU A 73 51.349 -13.756 6.696 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.393 -13.641 5.483 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.720 -14.624 7.277 1.00 0.00 O ATOM 0 H GLU A 73 51.793 -10.145 8.215 1.00 0.00 H new ATOM 0 HA GLU A 73 54.357 -11.349 8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 73 52.070 -11.171 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.449 -12.240 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.872 -13.272 8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.456 -12.243 8.229 1.00 0.00 H new ATOM 1125 N GLU A 74 53.750 -8.865 5.989 1.00 0.00 N ATOM 1126 CA GLU A 74 54.397 -7.909 5.098 1.00 0.00 C ATOM 1127 C GLU A 74 55.563 -7.224 5.803 1.00 0.00 C ATOM 1128 O GLU A 74 56.681 -7.192 5.286 1.00 0.00 O ATOM 1129 CB GLU A 74 53.387 -6.856 4.640 1.00 0.00 C ATOM 1130 CG GLU A 74 53.997 -6.017 3.515 1.00 0.00 C ATOM 1131 CD GLU A 74 52.915 -5.178 2.845 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.770 -5.285 3.254 1.00 0.00 O ATOM 1133 OE2 GLU A 74 53.247 -4.440 1.931 1.00 0.00 O ATOM 0 H GLU A 74 52.749 -8.718 6.117 1.00 0.00 H new ATOM 0 HA GLU A 74 54.777 -8.449 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.474 -7.340 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.110 -6.215 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 74 54.776 -5.368 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 74 54.471 -6.668 2.780 1.00 0.00 H new ATOM 1140 N ALA A 75 55.296 -6.678 6.985 1.00 0.00 N ATOM 1141 CA ALA A 75 56.333 -5.996 7.751 1.00 0.00 C ATOM 1142 C ALA A 75 57.542 -6.906 7.944 1.00 0.00 C ATOM 1143 O ALA A 75 58.680 -6.498 7.712 1.00 0.00 O ATOM 1144 CB ALA A 75 55.783 -5.579 9.117 1.00 0.00 C ATOM 0 H ALA A 75 54.378 -6.694 7.430 1.00 0.00 H new ATOM 0 HA ALA A 75 56.644 -5.110 7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.563 -5.070 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.937 -4.905 8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.456 -6.464 9.663 1.00 0.00 H new ATOM 1150 N LEU A 76 57.287 -8.138 8.368 1.00 0.00 N ATOM 1151 CA LEU A 76 58.363 -9.098 8.588 1.00 0.00 C ATOM 1152 C LEU A 76 59.060 -9.430 7.272 1.00 0.00 C ATOM 1153 O LEU A 76 60.288 -9.474 7.203 1.00 0.00 O ATOM 1154 CB LEU A 76 57.803 -10.380 9.207 1.00 0.00 C ATOM 1155 CG LEU A 76 58.348 -10.542 10.628 1.00 0.00 C ATOM 1156 CD1 LEU A 76 57.659 -11.727 11.306 1.00 0.00 C ATOM 1157 CD2 LEU A 76 59.855 -10.796 10.568 1.00 0.00 C ATOM 0 H LEU A 76 56.352 -8.494 8.565 1.00 0.00 H new ATOM 0 HA LEU A 76 59.088 -8.653 9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 76 56.714 -10.341 9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 76 58.081 -11.241 8.599 1.00 0.00 H new ATOM 0 HG LEU A 76 58.154 -9.634 11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 76 58.047 -11.843 12.318 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.585 -11.548 11.347 1.00 0.00 H new ATOM 0 HD13 LEU A 76 57.854 -12.636 10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 76 60.245 -10.912 11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 76 60.048 -11.705 9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 76 60.347 -9.953 10.084 1.00 0.00 H new ATOM 1169 N ALA A 77 58.267 -9.663 6.231 1.00 0.00 N ATOM 1170 CA ALA A 77 58.819 -9.989 4.922 1.00 0.00 C ATOM 1171 C ALA A 77 59.659 -8.832 4.391 1.00 0.00 C ATOM 1172 O ALA A 77 60.740 -9.038 3.839 1.00 0.00 O ATOM 1173 CB ALA A 77 57.687 -10.293 3.938 1.00 0.00 C ATOM 0 H ALA A 77 57.248 -9.632 6.268 1.00 0.00 H new ATOM 0 HA ALA A 77 59.456 -10.868 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.108 -10.536 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.105 -11.140 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.040 -9.421 3.847 1.00 0.00 H new ATOM 1179 N ALA A 78 59.156 -7.614 4.563 1.00 0.00 N ATOM 1180 CA ALA A 78 59.868 -6.430 4.099 1.00 0.00 C ATOM 1181 C ALA A 78 61.194 -6.280 4.839 1.00 0.00 C ATOM 1182 O ALA A 78 62.228 -6.004 4.230 1.00 0.00 O ATOM 1183 CB ALA A 78 59.013 -5.183 4.323 1.00 0.00 C ATOM 0 H ALA A 78 58.263 -7.422 5.018 1.00 0.00 H new ATOM 0 HA ALA A 78 60.069 -6.544 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.554 -4.304 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.079 -5.278 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.796 -5.077 5.386 1.00 0.00 H new ATOM 1189 N VAL A 79 61.156 -6.464 6.155 1.00 0.00 N ATOM 1190 CA VAL A 79 62.360 -6.347 6.968 1.00 0.00 C ATOM 1191 C VAL A 79 63.341 -7.466 6.635 1.00 0.00 C ATOM 1192 O VAL A 79 64.542 -7.234 6.505 1.00 0.00 O ATOM 1193 CB VAL A 79 61.996 -6.407 8.452 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.268 -6.307 9.295 1.00 0.00 C ATOM 1195 CG2 VAL A 79 61.064 -5.243 8.796 1.00 0.00 C ATOM 0 H VAL A 79 60.311 -6.693 6.678 1.00 0.00 H new ATOM 0 HA VAL A 79 62.832 -5.389 6.750 1.00 0.00 H new ATOM 0 HB VAL A 79 61.493 -7.351 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 79 63.008 -6.350 10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.932 -7.136 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.772 -5.364 9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.804 -5.285 9.854 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.566 -4.299 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.157 -5.314 8.196 1.00 0.00 H new ATOM 1205 N ILE A 80 62.819 -8.682 6.500 1.00 0.00 N ATOM 1206 CA ILE A 80 63.658 -9.831 6.181 1.00 0.00 C ATOM 1207 C ILE A 80 64.290 -9.667 4.803 1.00 0.00 C ATOM 1208 O ILE A 80 65.469 -9.963 4.610 1.00 0.00 O ATOM 1209 CB ILE A 80 62.823 -11.112 6.214 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.522 -11.487 7.666 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.603 -12.247 5.546 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.518 -12.641 7.698 1.00 0.00 C ATOM 0 H ILE A 80 61.827 -8.895 6.606 1.00 0.00 H new ATOM 0 HA ILE A 80 64.451 -9.896 6.926 1.00 0.00 H new ATOM 0 HB ILE A 80 61.887 -10.950 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.441 -11.776 8.176 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.119 -10.626 8.199 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.008 -13.160 5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.818 -11.981 4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.539 -12.410 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.304 -12.908 8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.596 -12.335 7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.938 -13.503 7.180 1.00 0.00 H new ATOM 1224 N ALA A 81 63.497 -9.190 3.847 1.00 0.00 N ATOM 1225 CA ALA A 81 63.990 -8.989 2.490 1.00 0.00 C ATOM 1226 C ALA A 81 65.110 -7.955 2.476 1.00 0.00 C ATOM 1227 O ALA A 81 66.058 -8.061 1.696 1.00 0.00 O ATOM 1228 CB ALA A 81 62.850 -8.523 1.583 1.00 0.00 C ATOM 0 H ALA A 81 62.519 -8.938 3.986 1.00 0.00 H new ATOM 0 HA ALA A 81 64.381 -9.937 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.227 -8.375 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 81 62.063 -9.277 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.446 -7.584 1.960 1.00 0.00 H new ATOM 1234 N LEU A 82 64.995 -6.954 3.344 1.00 0.00 N ATOM 1235 CA LEU A 82 66.004 -5.904 3.423 1.00 0.00 C ATOM 1236 C LEU A 82 67.271 -6.431 4.090 1.00 0.00 C ATOM 1237 O LEU A 82 68.384 -6.101 3.679 1.00 0.00 O ATOM 1238 CB LEU A 82 65.461 -4.717 4.221 1.00 0.00 C ATOM 1239 CG LEU A 82 65.039 -3.605 3.259 1.00 0.00 C ATOM 1240 CD1 LEU A 82 66.281 -2.991 2.611 1.00 0.00 C ATOM 1241 CD2 LEU A 82 64.134 -4.190 2.173 1.00 0.00 C ATOM 0 H LEU A 82 64.219 -6.848 3.998 1.00 0.00 H new ATOM 0 HA LEU A 82 66.246 -5.580 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.611 -5.031 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.223 -4.348 4.908 1.00 0.00 H new ATOM 0 HG LEU A 82 64.499 -2.834 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 82 65.980 -2.199 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 82 66.927 -2.576 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 82 66.822 -3.761 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 82 63.832 -3.399 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 82 64.676 -4.960 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 82 63.249 -4.628 2.634 1.00 0.00 H new ATOM 1253 N PHE A 83 67.095 -7.252 5.120 1.00 0.00 N ATOM 1254 CA PHE A 83 68.231 -7.819 5.837 1.00 0.00 C ATOM 1255 C PHE A 83 68.971 -8.822 4.959 1.00 0.00 C ATOM 1256 O PHE A 83 70.189 -8.969 5.057 1.00 0.00 O ATOM 1257 CB PHE A 83 67.750 -8.511 7.113 1.00 0.00 C ATOM 1258 CG PHE A 83 67.521 -7.479 8.191 1.00 0.00 C ATOM 1259 CD1 PHE A 83 66.953 -6.241 7.867 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.878 -7.759 9.516 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.742 -5.284 8.867 1.00 0.00 C ATOM 1262 CE2 PHE A 83 67.667 -6.803 10.515 1.00 0.00 C ATOM 1263 CZ PHE A 83 67.098 -5.565 10.190 1.00 0.00 C ATOM 0 H PHE A 83 66.183 -7.538 5.475 1.00 0.00 H new ATOM 0 HA PHE A 83 68.913 -7.010 6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 83 66.828 -9.058 6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.489 -9.240 7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 83 66.678 -6.024 6.845 1.00 0.00 H new ATOM 0 HD2 PHE A 83 68.316 -8.714 9.767 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.304 -4.329 8.617 1.00 0.00 H new ATOM 0 HE2 PHE A 83 67.943 -7.019 11.537 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.934 -4.827 10.961 1.00 0.00 H new