USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 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 2 THR OG1 : rot 10:sc= 0.813 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -2.86 F(o=-6.7!,f=-2.9) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= -0.919 (180deg=-1.47) USER MOD Single : A 27 MET CE :methyl -160:sc= -1.2 (180deg=-2.31) USER MOD Single : A 28 GLN :FLIP amide:sc= -1.6 F(o=-2.6!,f=-1.6) USER MOD Single : A 38 ASN :FLIP amide:sc= -1.14 F(o=-1.7,f=-1.1) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.468 F(o=-1.2,f=-0.47) 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= -0.818 X(o=-0.82,f=-1.3) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.7 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.33 F(o=-3.2!,f=-0.33) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 85 SER OG : rot -113:sc= -0.687 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.606 -13.216 19.385 1.00 0.00 N ATOM 21 CA THR A 2 51.033 -12.918 19.327 1.00 0.00 C ATOM 22 C THR A 2 51.690 -13.654 18.171 1.00 0.00 C ATOM 23 O THR A 2 51.316 -14.782 17.851 1.00 0.00 O ATOM 24 CB THR A 2 51.726 -13.360 20.623 1.00 0.00 C ATOM 25 OG1 THR A 2 50.746 -13.747 21.575 1.00 0.00 O ATOM 26 CG2 THR A 2 52.560 -12.208 21.184 1.00 0.00 C ATOM 0 HA THR A 2 51.137 -11.842 19.191 1.00 0.00 H new ATOM 0 HB THR A 2 52.381 -14.205 20.411 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.869 -13.794 21.141 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.050 -12.528 22.104 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.315 -11.916 20.454 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.911 -11.358 21.395 1.00 0.00 H new ATOM 34 N VAL A 3 52.707 -13.038 17.581 1.00 0.00 N ATOM 35 CA VAL A 3 53.436 -13.661 16.524 1.00 0.00 C ATOM 36 C VAL A 3 54.873 -13.285 16.668 1.00 0.00 C ATOM 37 O VAL A 3 55.210 -12.131 16.926 1.00 0.00 O ATOM 38 CB VAL A 3 52.949 -13.223 15.168 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.902 -14.201 14.682 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.349 -11.829 15.260 1.00 0.00 C ATOM 0 H VAL A 3 53.034 -12.104 17.830 1.00 0.00 H new ATOM 0 HA VAL A 3 53.294 -14.739 16.594 1.00 0.00 H new ATOM 0 HB VAL A 3 53.784 -13.201 14.468 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.543 -13.892 13.700 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.339 -15.197 14.612 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.068 -14.220 15.384 1.00 0.00 H new ATOM 0 HG21 VAL A 3 51.999 -11.518 14.276 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.511 -11.839 15.957 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.107 -11.129 15.613 1.00 0.00 H new ATOM 50 N LYS A 4 55.708 -14.260 16.503 1.00 0.00 N ATOM 51 CA LYS A 4 57.110 -14.050 16.612 1.00 0.00 C ATOM 52 C LYS A 4 57.834 -15.037 15.751 1.00 0.00 C ATOM 53 O LYS A 4 57.454 -16.204 15.650 1.00 0.00 O ATOM 54 CB LYS A 4 57.553 -14.195 18.047 1.00 0.00 C ATOM 55 CG LYS A 4 56.893 -15.433 18.664 1.00 0.00 C ATOM 56 CD LYS A 4 55.499 -15.076 19.235 1.00 0.00 C ATOM 57 CE LYS A 4 54.403 -15.902 18.542 1.00 0.00 C ATOM 58 NZ LYS A 4 54.317 -17.246 19.181 1.00 0.00 N ATOM 0 H LYS A 4 55.436 -15.220 16.290 1.00 0.00 H new ATOM 0 HA LYS A 4 57.343 -13.039 16.277 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.638 -14.286 18.096 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.282 -13.305 18.614 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.795 -16.214 17.910 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.526 -15.833 19.456 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.480 -15.265 20.308 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.304 -14.013 19.095 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.444 -15.390 18.617 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.627 -16.006 17.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 53.576 -17.806 18.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 55.231 -17.734 19.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 54.084 -17.137 20.189 1.00 0.00 H new ATOM 72 N GLN A 5 58.852 -14.545 15.101 1.00 0.00 N ATOM 73 CA GLN A 5 59.612 -15.358 14.194 1.00 0.00 C ATOM 74 C GLN A 5 61.063 -14.931 14.159 1.00 0.00 C ATOM 75 O GLN A 5 61.407 -13.788 14.440 1.00 0.00 O ATOM 76 CB GLN A 5 59.015 -15.222 12.807 1.00 0.00 C ATOM 77 CG GLN A 5 57.488 -15.215 12.909 1.00 0.00 C ATOM 78 CD GLN A 5 56.873 -15.223 11.513 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.144 -14.250 10.686 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.127 -16.140 11.167 1.00 0.00 N flip ATOM 0 H GLN A 5 59.175 -13.581 15.183 1.00 0.00 H new ATOM 0 HA GLN A 5 59.572 -16.394 14.532 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.363 -14.302 12.338 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.344 -16.047 12.175 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.149 -16.086 13.470 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.156 -14.333 13.457 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.917 -16.899 11.815 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.719 -16.140 10.232 1.00 0.00 H new ATOM 89 N THR A 6 61.898 -15.870 13.802 1.00 0.00 N ATOM 90 CA THR A 6 63.305 -15.643 13.693 1.00 0.00 C ATOM 91 C THR A 6 63.690 -15.634 12.224 1.00 0.00 C ATOM 92 O THR A 6 63.713 -16.680 11.576 1.00 0.00 O ATOM 93 CB THR A 6 64.047 -16.754 14.419 1.00 0.00 C ATOM 94 OG1 THR A 6 63.384 -17.048 15.641 1.00 0.00 O ATOM 95 CG2 THR A 6 65.458 -16.290 14.701 1.00 0.00 C ATOM 0 H THR A 6 61.612 -16.823 13.577 1.00 0.00 H new ATOM 0 HA THR A 6 63.568 -14.685 14.141 1.00 0.00 H new ATOM 0 HB THR A 6 64.070 -17.653 13.803 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.862 -17.765 16.108 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.003 -17.077 15.222 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.961 -16.062 13.761 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.429 -15.396 15.324 1.00 0.00 H new ATOM 103 N VAL A 7 63.971 -14.452 11.692 1.00 0.00 N ATOM 104 CA VAL A 7 64.327 -14.348 10.279 1.00 0.00 C ATOM 105 C VAL A 7 65.842 -14.290 10.100 1.00 0.00 C ATOM 106 O VAL A 7 66.501 -13.356 10.557 1.00 0.00 O ATOM 107 CB VAL A 7 63.681 -13.094 9.659 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.315 -13.353 8.185 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.413 -12.727 10.441 1.00 0.00 C ATOM 0 H VAL A 7 63.961 -13.569 12.202 1.00 0.00 H new ATOM 0 HA VAL A 7 63.952 -15.236 9.770 1.00 0.00 H new ATOM 0 HB VAL A 7 64.395 -12.272 9.708 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.860 -12.458 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.216 -13.602 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.610 -14.182 8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 7 61.958 -11.840 10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.707 -13.556 10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.672 -12.524 11.480 1.00 0.00 H new ATOM 119 N GLU A 8 66.383 -15.289 9.409 1.00 0.00 N ATOM 120 CA GLU A 8 67.815 -15.337 9.149 1.00 0.00 C ATOM 121 C GLU A 8 68.170 -14.270 8.125 1.00 0.00 C ATOM 122 O GLU A 8 67.738 -14.344 6.975 1.00 0.00 O ATOM 123 CB GLU A 8 68.201 -16.720 8.615 1.00 0.00 C ATOM 124 CG GLU A 8 68.218 -17.735 9.767 1.00 0.00 C ATOM 125 CD GLU A 8 69.614 -17.820 10.377 1.00 0.00 C ATOM 126 OE1 GLU A 8 69.879 -18.791 11.066 1.00 0.00 O ATOM 127 OE2 GLU A 8 70.397 -16.913 10.146 1.00 0.00 O ATOM 0 H GLU A 8 65.854 -16.071 9.022 1.00 0.00 H new ATOM 0 HA GLU A 8 68.361 -15.152 10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.492 -17.036 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.182 -16.677 8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 8 67.497 -17.441 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.913 -18.716 9.401 1.00 0.00 H new ATOM 134 N ILE A 9 68.936 -13.265 8.537 1.00 0.00 N ATOM 135 CA ILE A 9 69.290 -12.200 7.610 1.00 0.00 C ATOM 136 C ILE A 9 70.271 -12.683 6.562 1.00 0.00 C ATOM 137 O ILE A 9 71.277 -13.321 6.875 1.00 0.00 O ATOM 138 CB ILE A 9 69.956 -10.996 8.300 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.581 -10.901 9.788 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.569 -9.710 7.565 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.240 -10.186 10.001 1.00 0.00 C ATOM 0 H ILE A 9 69.314 -13.167 9.479 1.00 0.00 H new ATOM 0 HA ILE A 9 68.342 -11.896 7.165 1.00 0.00 H new ATOM 0 HB ILE A 9 71.036 -11.135 8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.528 -11.903 10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.365 -10.368 10.326 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.040 -8.856 8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.905 -9.767 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.486 -9.589 7.589 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.016 -10.142 11.067 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.300 -9.174 9.601 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.450 -10.733 9.487 1.00 0.00 H new ATOM 311 N ALA A 20 62.440 -1.774 8.562 1.00 0.00 N ATOM 312 CA ALA A 20 62.661 -1.299 9.912 1.00 0.00 C ATOM 313 C ALA A 20 61.894 -0.005 10.124 1.00 0.00 C ATOM 314 O ALA A 20 61.353 0.251 11.199 1.00 0.00 O ATOM 315 CB ALA A 20 64.161 -1.051 10.102 1.00 0.00 C ATOM 0 HA ALA A 20 62.314 -2.039 10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 20 64.345 -0.692 11.115 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.707 -1.981 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.500 -0.303 9.385 1.00 0.00 H new ATOM 321 N MET A 21 61.847 0.800 9.075 1.00 0.00 N ATOM 322 CA MET A 21 61.144 2.073 9.123 1.00 0.00 C ATOM 323 C MET A 21 59.676 1.909 8.731 1.00 0.00 C ATOM 324 O MET A 21 58.832 2.706 9.140 1.00 0.00 O ATOM 325 CB MET A 21 61.830 3.074 8.194 1.00 0.00 C ATOM 326 CG MET A 21 63.252 3.337 8.700 1.00 0.00 C ATOM 327 SD MET A 21 63.956 4.750 7.815 1.00 0.00 S ATOM 328 CE MET A 21 63.325 6.043 8.914 1.00 0.00 C ATOM 0 H MET A 21 62.288 0.595 8.178 1.00 0.00 H new ATOM 0 HA MET A 21 61.177 2.446 10.147 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.859 2.683 7.177 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.264 4.005 8.162 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.237 3.536 9.772 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.872 2.454 8.549 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.646 7.019 8.550 1.00 0.00 H new ATOM 0 HE2 MET A 21 62.236 6.004 8.934 1.00 0.00 H new ATOM 0 HE3 MET A 21 63.712 5.886 9.921 1.00 0.00 H new ATOM 338 N LYS A 22 59.363 0.877 7.944 1.00 0.00 N ATOM 339 CA LYS A 22 57.976 0.659 7.539 1.00 0.00 C ATOM 340 C LYS A 22 57.144 0.265 8.757 1.00 0.00 C ATOM 341 O LYS A 22 56.142 0.906 9.054 1.00 0.00 O ATOM 342 CB LYS A 22 57.886 -0.394 6.417 1.00 0.00 C ATOM 343 CG LYS A 22 57.657 -1.802 6.983 1.00 0.00 C ATOM 344 CD LYS A 22 57.683 -2.829 5.841 1.00 0.00 C ATOM 345 CE LYS A 22 56.254 -3.127 5.377 1.00 0.00 C ATOM 346 NZ LYS A 22 55.605 -1.864 4.926 1.00 0.00 N ATOM 0 H LYS A 22 60.032 0.197 7.583 1.00 0.00 H new ATOM 0 HA LYS A 22 57.571 1.586 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.072 -0.136 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.805 -0.382 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.428 -2.040 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 22 56.699 -1.845 7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.273 -2.445 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.165 -3.747 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.268 -3.852 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.681 -3.572 6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 54.712 -2.086 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 55.410 -1.260 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.239 -1.362 4.272 1.00 0.00 H new ATOM 360 N LEU A 23 57.602 -0.753 9.486 1.00 0.00 N ATOM 361 CA LEU A 23 56.943 -1.198 10.699 1.00 0.00 C ATOM 362 C LEU A 23 56.369 -0.001 11.429 1.00 0.00 C ATOM 363 O LEU A 23 55.235 -0.010 11.892 1.00 0.00 O ATOM 364 CB LEU A 23 57.998 -1.820 11.600 1.00 0.00 C ATOM 365 CG LEU A 23 58.090 -3.328 11.403 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.685 -3.655 10.034 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.011 -3.871 12.480 1.00 0.00 C ATOM 0 H LEU A 23 58.438 -1.286 9.247 1.00 0.00 H new ATOM 0 HA LEU A 23 56.151 -1.906 10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.967 -1.366 11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.761 -1.603 12.642 1.00 0.00 H new ATOM 0 HG LEU A 23 57.096 -3.772 11.463 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.743 -4.737 9.911 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.052 -3.235 9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.685 -3.227 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.101 -4.952 12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.995 -3.413 12.382 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.599 -3.639 13.462 1.00 0.00 H new ATOM 379 N PHE A 24 57.207 1.015 11.541 1.00 0.00 N ATOM 380 CA PHE A 24 56.854 2.236 12.236 1.00 0.00 C ATOM 381 C PHE A 24 55.747 2.986 11.489 1.00 0.00 C ATOM 382 O PHE A 24 54.630 3.150 11.992 1.00 0.00 O ATOM 383 CB PHE A 24 58.106 3.110 12.328 1.00 0.00 C ATOM 384 CG PHE A 24 59.237 2.395 13.065 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.244 3.158 13.666 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.302 0.989 13.144 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.301 2.538 14.337 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.361 0.373 13.816 1.00 0.00 C ATOM 389 CZ PHE A 24 61.361 1.147 14.411 1.00 0.00 C ATOM 0 H PHE A 24 58.150 1.015 11.152 1.00 0.00 H new ATOM 0 HA PHE A 24 56.481 1.997 13.232 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.437 3.379 11.325 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.865 4.039 12.844 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.204 4.236 13.611 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.532 0.387 12.684 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.072 3.137 14.799 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.407 -0.704 13.876 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.180 0.668 14.928 1.00 0.00 H new ATOM 399 N GLU A 25 56.040 3.408 10.270 1.00 0.00 N ATOM 400 CA GLU A 25 55.035 4.098 9.477 1.00 0.00 C ATOM 401 C GLU A 25 53.871 3.152 9.284 1.00 0.00 C ATOM 402 O GLU A 25 52.734 3.563 9.057 1.00 0.00 O ATOM 403 CB GLU A 25 55.618 4.529 8.123 1.00 0.00 C ATOM 404 CG GLU A 25 55.320 6.011 7.875 1.00 0.00 C ATOM 405 CD GLU A 25 53.813 6.234 7.801 1.00 0.00 C ATOM 406 OE1 GLU A 25 53.160 5.502 7.076 1.00 0.00 O ATOM 407 OE2 GLU A 25 53.335 7.136 8.470 1.00 0.00 O ATOM 0 H GLU A 25 56.945 3.289 9.815 1.00 0.00 H new ATOM 0 HA GLU A 25 54.703 5.001 9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.694 4.358 8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.190 3.924 7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.747 6.615 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 25 55.790 6.335 6.946 1.00 0.00 H new ATOM 414 N LEU A 26 54.181 1.873 9.415 1.00 0.00 N ATOM 415 CA LEU A 26 53.188 0.831 9.301 1.00 0.00 C ATOM 416 C LEU A 26 52.509 0.660 10.649 1.00 0.00 C ATOM 417 O LEU A 26 51.335 0.311 10.721 1.00 0.00 O ATOM 418 CB LEU A 26 53.859 -0.464 8.825 1.00 0.00 C ATOM 419 CG LEU A 26 52.950 -1.662 9.061 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.908 -1.966 10.567 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.538 -1.368 8.505 1.00 0.00 C ATOM 0 H LEU A 26 55.125 1.534 9.602 1.00 0.00 H new ATOM 0 HA LEU A 26 52.428 1.094 8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.098 -0.386 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.801 -0.607 9.354 1.00 0.00 H new ATOM 0 HG LEU A 26 53.336 -2.537 8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.259 -2.823 10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.914 -2.192 10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.521 -1.099 11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.893 -2.229 8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.122 -0.496 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.602 -1.171 7.435 1.00 0.00 H new ATOM 433 N MET A 27 53.243 0.942 11.726 1.00 0.00 N ATOM 434 CA MET A 27 52.657 0.845 13.055 1.00 0.00 C ATOM 435 C MET A 27 51.350 1.607 13.001 1.00 0.00 C ATOM 436 O MET A 27 50.364 1.239 13.640 1.00 0.00 O ATOM 437 CB MET A 27 53.574 1.459 14.130 1.00 0.00 C ATOM 438 CG MET A 27 54.417 0.371 14.803 1.00 0.00 C ATOM 439 SD MET A 27 53.331 -0.845 15.592 1.00 0.00 S ATOM 440 CE MET A 27 53.832 -2.277 14.604 1.00 0.00 C ATOM 0 H MET A 27 54.221 1.232 11.704 1.00 0.00 H new ATOM 0 HA MET A 27 52.512 -0.201 13.326 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.227 2.204 13.676 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.972 1.975 14.878 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.051 -0.119 14.065 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.078 0.818 15.545 1.00 0.00 H new ATOM 0 HE1 MET A 27 53.063 -3.047 14.663 1.00 0.00 H new ATOM 0 HE2 MET A 27 53.963 -1.974 13.565 1.00 0.00 H new ATOM 0 HE3 MET A 27 54.772 -2.673 14.988 1.00 0.00 H new ATOM 450 N GLN A 28 51.354 2.663 12.186 1.00 0.00 N ATOM 451 CA GLN A 28 50.154 3.464 12.002 1.00 0.00 C ATOM 452 C GLN A 28 49.186 2.699 11.100 1.00 0.00 C ATOM 453 O GLN A 28 48.000 3.020 11.019 1.00 0.00 O ATOM 454 CB GLN A 28 50.516 4.831 11.392 1.00 0.00 C ATOM 455 CG GLN A 28 50.135 4.885 9.907 1.00 0.00 C ATOM 456 CD GLN A 28 50.740 6.127 9.260 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.314 7.027 10.010 1.00 0.00 O flip ATOM 458 NE2 GLN A 28 50.688 6.281 8.040 1.00 0.00 N flip ATOM 0 H GLN A 28 52.165 2.976 11.652 1.00 0.00 H new ATOM 0 HA GLN A 28 49.676 3.647 12.964 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.000 5.624 11.933 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.585 5.012 11.504 1.00 0.00 H new ATOM 0 HG2 GLN A 28 50.491 3.989 9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 28 49.050 4.901 9.801 1.00 0.00 H new ATOM 0 HE21 GLN A 28 50.239 5.576 7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 28 51.094 7.114 7.613 1.00 0.00 H new ATOM 467 N GLY A 29 49.718 1.675 10.430 1.00 0.00 N ATOM 468 CA GLY A 29 48.916 0.840 9.533 1.00 0.00 C ATOM 469 C GLY A 29 48.324 -0.348 10.286 1.00 0.00 C ATOM 470 O GLY A 29 47.109 -0.545 10.296 1.00 0.00 O ATOM 0 H GLY A 29 50.699 1.404 10.491 1.00 0.00 H new ATOM 0 HA2 GLY A 29 48.115 1.435 9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.535 0.483 8.710 1.00 0.00 H new ATOM 474 N PHE A 30 49.188 -1.120 10.942 1.00 0.00 N ATOM 475 CA PHE A 30 48.734 -2.267 11.727 1.00 0.00 C ATOM 476 C PHE A 30 48.832 -1.924 13.202 1.00 0.00 C ATOM 477 O PHE A 30 49.696 -1.148 13.610 1.00 0.00 O ATOM 478 CB PHE A 30 49.590 -3.519 11.490 1.00 0.00 C ATOM 479 CG PHE A 30 49.697 -3.873 10.025 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.559 -4.020 9.230 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.955 -4.106 9.479 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.695 -4.397 7.888 1.00 0.00 C ATOM 483 CE2 PHE A 30 51.098 -4.477 8.146 1.00 0.00 C ATOM 484 CZ PHE A 30 49.969 -4.625 7.344 1.00 0.00 C ATOM 0 H PHE A 30 50.198 -0.975 10.946 1.00 0.00 H new ATOM 0 HA PHE A 30 47.711 -2.481 11.419 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.588 -3.356 11.896 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.159 -4.359 12.034 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.579 -3.844 9.648 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.833 -3.997 10.099 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.817 -4.513 7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.081 -4.650 7.734 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.073 -4.914 6.309 1.00 0.00 H new ATOM 494 N ASP A 31 47.977 -2.534 14.007 1.00 0.00 N ATOM 495 CA ASP A 31 48.016 -2.315 15.436 1.00 0.00 C ATOM 496 C ASP A 31 48.671 -3.528 16.042 1.00 0.00 C ATOM 497 O ASP A 31 48.054 -4.586 16.163 1.00 0.00 O ATOM 498 CB ASP A 31 46.608 -2.125 15.995 1.00 0.00 C ATOM 499 CG ASP A 31 46.675 -1.814 17.486 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.747 -1.201 17.985 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.655 -2.194 18.106 1.00 0.00 O ATOM 0 H ASP A 31 47.253 -3.180 13.694 1.00 0.00 H new ATOM 0 HA ASP A 31 48.575 -1.410 15.675 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.105 -1.314 15.468 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.018 -3.026 15.830 1.00 0.00 H new ATOM 506 N ALA A 32 49.940 -3.395 16.369 1.00 0.00 N ATOM 507 CA ALA A 32 50.666 -4.502 16.897 1.00 0.00 C ATOM 508 C ALA A 32 52.009 -4.039 17.392 1.00 0.00 C ATOM 509 O ALA A 32 52.535 -3.018 16.951 1.00 0.00 O ATOM 510 CB ALA A 32 50.837 -5.544 15.806 1.00 0.00 C ATOM 0 H ALA A 32 50.476 -2.532 16.275 1.00 0.00 H new ATOM 0 HA ALA A 32 50.120 -4.940 17.733 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.392 -6.396 16.200 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.857 -5.876 15.463 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.385 -5.109 14.970 1.00 0.00 H new ATOM 516 N GLU A 33 52.549 -4.785 18.321 1.00 0.00 N ATOM 517 CA GLU A 33 53.818 -4.457 18.896 1.00 0.00 C ATOM 518 C GLU A 33 54.847 -5.469 18.466 1.00 0.00 C ATOM 519 O GLU A 33 55.099 -6.470 19.137 1.00 0.00 O ATOM 520 CB GLU A 33 53.651 -4.454 20.388 1.00 0.00 C ATOM 521 CG GLU A 33 54.281 -3.192 20.948 1.00 0.00 C ATOM 522 CD GLU A 33 54.259 -3.217 22.472 1.00 0.00 C ATOM 523 OE1 GLU A 33 53.796 -4.203 23.022 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.705 -2.250 23.068 1.00 0.00 O ATOM 0 H GLU A 33 52.120 -5.632 18.695 1.00 0.00 H new ATOM 0 HA GLU A 33 54.161 -3.478 18.562 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.594 -4.496 20.650 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.122 -5.336 20.822 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.308 -3.103 20.594 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.742 -2.317 20.585 1.00 0.00 H new ATOM 531 N VAL A 34 55.416 -5.192 17.323 1.00 0.00 N ATOM 532 CA VAL A 34 56.411 -6.064 16.742 1.00 0.00 C ATOM 533 C VAL A 34 57.796 -5.713 17.244 1.00 0.00 C ATOM 534 O VAL A 34 58.268 -4.593 17.091 1.00 0.00 O ATOM 535 CB VAL A 34 56.309 -6.012 15.222 1.00 0.00 C ATOM 536 CG1 VAL A 34 54.841 -5.837 14.816 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.118 -4.851 14.683 1.00 0.00 C ATOM 0 H VAL A 34 55.207 -4.362 16.769 1.00 0.00 H new ATOM 0 HA VAL A 34 56.223 -7.091 17.054 1.00 0.00 H new ATOM 0 HB VAL A 34 56.700 -6.942 14.809 1.00 0.00 H new ATOM 0 HG11 VAL A 34 54.766 -5.800 13.729 1.00 0.00 H new ATOM 0 HG12 VAL A 34 54.257 -6.677 15.191 1.00 0.00 H new ATOM 0 HG13 VAL A 34 54.455 -4.909 15.238 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.037 -4.825 13.596 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.737 -3.918 15.098 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.163 -4.973 14.966 1.00 0.00 H new ATOM 547 N LEU A 35 58.422 -6.686 17.889 1.00 0.00 N ATOM 548 CA LEU A 35 59.737 -6.488 18.466 1.00 0.00 C ATOM 549 C LEU A 35 60.822 -7.151 17.612 1.00 0.00 C ATOM 550 O LEU A 35 60.689 -8.303 17.206 1.00 0.00 O ATOM 551 CB LEU A 35 59.723 -7.066 19.886 1.00 0.00 C ATOM 552 CG LEU A 35 61.076 -7.688 20.239 1.00 0.00 C ATOM 553 CD1 LEU A 35 62.117 -6.574 20.406 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.941 -8.496 21.541 1.00 0.00 C ATOM 0 H LEU A 35 58.037 -7.621 18.024 1.00 0.00 H new ATOM 0 HA LEU A 35 59.971 -5.424 18.499 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.483 -6.279 20.601 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.940 -7.820 19.968 1.00 0.00 H new ATOM 0 HG LEU A 35 61.399 -8.357 19.441 1.00 0.00 H new ATOM 0 HD11 LEU A 35 63.082 -7.013 20.658 1.00 0.00 H new ATOM 0 HD12 LEU A 35 62.204 -6.015 19.474 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.805 -5.901 21.205 1.00 0.00 H new ATOM 0 HD21 LEU A 35 61.903 -8.940 21.795 1.00 0.00 H new ATOM 0 HD22 LEU A 35 60.622 -7.836 22.348 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.202 -9.285 21.404 1.00 0.00 H new ATOM 566 N LEU A 36 61.883 -6.398 17.334 1.00 0.00 N ATOM 567 CA LEU A 36 62.992 -6.876 16.511 1.00 0.00 C ATOM 568 C LEU A 36 64.256 -7.151 17.332 1.00 0.00 C ATOM 569 O LEU A 36 64.755 -6.269 18.012 1.00 0.00 O ATOM 570 CB LEU A 36 63.296 -5.786 15.500 1.00 0.00 C ATOM 571 CG LEU A 36 62.313 -5.893 14.344 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.886 -5.731 14.875 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.608 -4.789 13.345 1.00 0.00 C ATOM 0 H LEU A 36 61.999 -5.442 17.671 1.00 0.00 H new ATOM 0 HA LEU A 36 62.703 -7.816 16.041 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.219 -4.805 15.970 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.318 -5.886 15.135 1.00 0.00 H new ATOM 0 HG LEU A 36 62.411 -6.865 13.861 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.179 -5.807 14.049 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.678 -6.514 15.604 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.783 -4.756 15.351 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.909 -4.856 12.511 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.500 -3.820 13.832 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.627 -4.897 12.973 1.00 0.00 H new ATOM 585 N ARG A 37 64.796 -8.364 17.227 1.00 0.00 N ATOM 586 CA ARG A 37 66.037 -8.700 17.935 1.00 0.00 C ATOM 587 C ARG A 37 66.848 -9.721 17.181 1.00 0.00 C ATOM 588 O ARG A 37 66.324 -10.491 16.390 1.00 0.00 O ATOM 589 CB ARG A 37 65.793 -9.271 19.347 1.00 0.00 C ATOM 590 CG ARG A 37 64.356 -9.046 19.750 1.00 0.00 C ATOM 591 CD ARG A 37 64.090 -9.681 21.124 1.00 0.00 C ATOM 592 NE ARG A 37 65.344 -10.046 21.774 1.00 0.00 N ATOM 593 CZ ARG A 37 65.394 -10.303 23.077 1.00 0.00 C ATOM 594 NH1 ARG A 37 66.528 -10.630 23.635 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.309 -10.230 23.798 1.00 0.00 N ATOM 0 H ARG A 37 64.404 -9.122 16.669 1.00 0.00 H new ATOM 0 HA ARG A 37 66.574 -7.755 18.013 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.022 -10.337 19.362 1.00 0.00 H new ATOM 0 HB3 ARG A 37 66.460 -8.791 20.063 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.143 -7.978 19.787 1.00 0.00 H new ATOM 0 HG3 ARG A 37 63.689 -9.479 19.005 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.539 -8.982 21.753 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.464 -10.566 21.006 1.00 0.00 H new ATOM 0 HE ARG A 37 66.198 -10.105 21.219 1.00 0.00 H new ATOM 0 HH11 ARG A 37 67.376 -10.688 23.071 1.00 0.00 H new ATOM 0 HH12 ARG A 37 66.566 -10.827 24.635 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.423 -9.976 23.362 1.00 0.00 H new ATOM 0 HH22 ARG A 37 64.347 -10.427 24.798 1.00 0.00 H new ATOM 609 N ASN A 38 68.123 -9.766 17.504 1.00 0.00 N ATOM 610 CA ASN A 38 69.006 -10.750 16.919 1.00 0.00 C ATOM 611 C ASN A 38 69.165 -11.884 17.903 1.00 0.00 C ATOM 612 O ASN A 38 69.381 -11.640 19.098 1.00 0.00 O ATOM 613 CB ASN A 38 70.396 -10.196 16.671 1.00 0.00 C ATOM 614 CG ASN A 38 70.414 -9.167 15.569 1.00 0.00 C ATOM 615 OD1 ASN A 38 71.153 -8.113 15.728 1.00 0.00 O flip ATOM 616 ND2 ASN A 38 69.753 -9.324 14.543 1.00 0.00 N flip ATOM 0 H ASN A 38 68.570 -9.133 18.168 1.00 0.00 H new ATOM 0 HA ASN A 38 68.569 -11.063 15.971 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.775 -9.748 17.589 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.070 -11.013 16.413 1.00 0.00 H new ATOM 0 HD21 ASN A 38 69.176 -10.158 14.431 1.00 0.00 H new ATOM 0 HD22 ASN A 38 69.782 -8.621 13.805 1.00 0.00 H new ATOM 623 N ASP A 39 69.107 -13.110 17.409 1.00 0.00 N ATOM 624 CA ASP A 39 69.291 -14.262 18.287 1.00 0.00 C ATOM 625 C ASP A 39 70.563 -14.059 19.095 1.00 0.00 C ATOM 626 O ASP A 39 70.873 -14.824 20.009 1.00 0.00 O ATOM 627 CB ASP A 39 69.392 -15.560 17.487 1.00 0.00 C ATOM 628 CG ASP A 39 69.656 -16.730 18.428 1.00 0.00 C ATOM 629 OD1 ASP A 39 68.848 -16.945 19.316 1.00 0.00 O ATOM 630 OD2 ASP A 39 70.664 -17.394 18.247 1.00 0.00 O ATOM 0 H ASP A 39 68.938 -13.335 16.428 1.00 0.00 H new ATOM 0 HA ASP A 39 68.427 -14.343 18.947 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.469 -15.729 16.933 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.195 -15.484 16.753 1.00 0.00 H new ATOM 635 N GLU A 40 71.283 -12.998 18.747 1.00 0.00 N ATOM 636 CA GLU A 40 72.515 -12.647 19.427 1.00 0.00 C ATOM 637 C GLU A 40 72.193 -12.062 20.792 1.00 0.00 C ATOM 638 O GLU A 40 73.043 -12.025 21.681 1.00 0.00 O ATOM 639 CB GLU A 40 73.258 -11.586 18.613 1.00 0.00 C ATOM 640 CG GLU A 40 73.905 -12.220 17.382 1.00 0.00 C ATOM 641 CD GLU A 40 75.025 -13.164 17.805 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.839 -14.364 17.687 1.00 0.00 O ATOM 643 OE2 GLU A 40 76.053 -12.673 18.243 1.00 0.00 O ATOM 0 H GLU A 40 71.028 -12.364 17.990 1.00 0.00 H new ATOM 0 HA GLU A 40 73.130 -13.540 19.537 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.565 -10.802 18.306 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.021 -11.112 19.230 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.156 -12.766 16.809 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.302 -11.442 16.729 1.00 0.00 H new ATOM 650 N GLY A 41 70.962 -11.581 20.940 1.00 0.00 N ATOM 651 CA GLY A 41 70.538 -10.971 22.185 1.00 0.00 C ATOM 652 C GLY A 41 70.259 -9.501 21.946 1.00 0.00 C ATOM 653 O GLY A 41 69.861 -8.774 22.857 1.00 0.00 O ATOM 0 H GLY A 41 70.247 -11.604 20.213 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.644 -11.467 22.562 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.311 -11.089 22.944 1.00 0.00 H new ATOM 657 N THR A 42 70.455 -9.068 20.699 1.00 0.00 N ATOM 658 CA THR A 42 70.196 -7.673 20.355 1.00 0.00 C ATOM 659 C THR A 42 68.715 -7.501 20.072 1.00 0.00 C ATOM 660 O THR A 42 68.181 -8.131 19.171 1.00 0.00 O ATOM 661 CB THR A 42 71.011 -7.226 19.135 1.00 0.00 C ATOM 662 OG1 THR A 42 72.356 -6.988 19.526 1.00 0.00 O ATOM 663 CG2 THR A 42 70.404 -5.940 18.571 1.00 0.00 C ATOM 0 H THR A 42 70.784 -9.649 19.928 1.00 0.00 H new ATOM 0 HA THR A 42 70.498 -7.051 21.198 1.00 0.00 H new ATOM 0 HB THR A 42 70.991 -8.005 18.372 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.878 -6.704 18.747 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.979 -5.616 17.703 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.372 -6.125 18.274 1.00 0.00 H new ATOM 0 HG23 THR A 42 70.429 -5.161 19.333 1.00 0.00 H new ATOM 671 N GLU A 43 68.069 -6.659 20.865 1.00 0.00 N ATOM 672 CA GLU A 43 66.636 -6.407 20.735 1.00 0.00 C ATOM 673 C GLU A 43 66.341 -4.985 20.303 1.00 0.00 C ATOM 674 O GLU A 43 67.047 -4.044 20.666 1.00 0.00 O ATOM 675 CB GLU A 43 65.932 -6.695 22.065 1.00 0.00 C ATOM 676 CG GLU A 43 66.621 -5.929 23.199 1.00 0.00 C ATOM 677 CD GLU A 43 66.271 -4.447 23.118 1.00 0.00 C ATOM 678 OE1 GLU A 43 65.241 -4.131 22.546 1.00 0.00 O ATOM 679 OE2 GLU A 43 67.039 -3.649 23.630 1.00 0.00 O ATOM 0 H GLU A 43 68.518 -6.132 21.614 1.00 0.00 H new ATOM 0 HA GLU A 43 66.259 -7.074 19.960 1.00 0.00 H new ATOM 0 HB2 GLU A 43 64.884 -6.403 22.002 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.953 -7.765 22.273 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.309 -6.332 24.163 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.701 -6.060 23.133 1.00 0.00 H new ATOM 686 N ALA A 44 65.284 -4.849 19.507 1.00 0.00 N ATOM 687 CA ALA A 44 64.879 -3.556 19.001 1.00 0.00 C ATOM 688 C ALA A 44 63.364 -3.405 19.027 1.00 0.00 C ATOM 689 O ALA A 44 62.643 -4.158 18.372 1.00 0.00 O ATOM 690 CB ALA A 44 65.375 -3.401 17.564 1.00 0.00 C ATOM 0 H ALA A 44 64.696 -5.625 19.202 1.00 0.00 H new ATOM 0 HA ALA A 44 65.313 -2.785 19.638 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.072 -2.428 17.178 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.462 -3.477 17.544 1.00 0.00 H new ATOM 0 HB3 ALA A 44 64.945 -4.187 16.944 1.00 0.00 H new ATOM 696 N GLU A 45 62.891 -2.407 19.760 1.00 0.00 N ATOM 697 CA GLU A 45 61.463 -2.143 19.831 1.00 0.00 C ATOM 698 C GLU A 45 61.039 -1.429 18.560 1.00 0.00 C ATOM 699 O GLU A 45 61.426 -0.284 18.329 1.00 0.00 O ATOM 700 CB GLU A 45 61.150 -1.264 21.047 1.00 0.00 C ATOM 701 CG GLU A 45 60.154 -1.975 21.965 1.00 0.00 C ATOM 702 CD GLU A 45 59.979 -1.185 23.258 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.972 0.033 23.188 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.855 -1.810 24.298 1.00 0.00 O ATOM 0 H GLU A 45 63.470 -1.772 20.309 1.00 0.00 H new ATOM 0 HA GLU A 45 60.920 -3.082 19.932 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.067 -1.044 21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.738 -0.310 20.720 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.193 -2.080 21.461 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.508 -2.981 22.189 1.00 0.00 H new ATOM 711 N ALA A 46 60.266 -2.106 17.729 1.00 0.00 N ATOM 712 CA ALA A 46 59.832 -1.509 16.481 1.00 0.00 C ATOM 713 C ALA A 46 59.278 -0.108 16.712 1.00 0.00 C ATOM 714 O ALA A 46 58.072 0.067 16.881 1.00 0.00 O ATOM 715 CB ALA A 46 58.750 -2.352 15.849 1.00 0.00 C ATOM 0 H ALA A 46 59.931 -3.055 17.893 1.00 0.00 H new ATOM 0 HA ALA A 46 60.698 -1.453 15.822 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.432 -1.894 14.913 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.137 -3.352 15.651 1.00 0.00 H new ATOM 0 HB3 ALA A 46 57.899 -2.420 16.527 1.00 0.00 H new ATOM 721 N ASN A 47 60.157 0.879 16.717 1.00 0.00 N ATOM 722 CA ASN A 47 59.749 2.263 16.928 1.00 0.00 C ATOM 723 C ASN A 47 60.971 3.094 17.282 1.00 0.00 C ATOM 724 O ASN A 47 60.954 4.321 17.195 1.00 0.00 O ATOM 725 CB ASN A 47 58.711 2.348 18.057 1.00 0.00 C ATOM 726 CG ASN A 47 58.711 3.743 18.678 1.00 0.00 C ATOM 727 OD1 ASN A 47 58.533 4.787 17.916 1.00 0.00 O flip ATOM 728 ND2 ASN A 47 58.878 3.883 19.890 1.00 0.00 N flip ATOM 0 H ASN A 47 61.159 0.751 16.578 1.00 0.00 H new ATOM 0 HA ASN A 47 59.296 2.648 16.014 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.720 2.117 17.666 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.934 1.603 18.821 1.00 0.00 H new ATOM 0 HD21 ASN A 47 59.017 3.065 20.483 1.00 0.00 H new ATOM 0 HD22 ASN A 47 58.877 4.817 20.300 1.00 0.00 H new ATOM 735 N SER A 48 62.031 2.404 17.686 1.00 0.00 N ATOM 736 CA SER A 48 63.273 3.072 18.062 1.00 0.00 C ATOM 737 C SER A 48 64.367 2.800 17.028 1.00 0.00 C ATOM 738 O SER A 48 64.938 1.710 16.987 1.00 0.00 O ATOM 739 CB SER A 48 63.719 2.583 19.441 1.00 0.00 C ATOM 740 OG SER A 48 63.156 3.423 20.440 1.00 0.00 O ATOM 0 H SER A 48 62.057 1.387 17.762 1.00 0.00 H new ATOM 0 HA SER A 48 63.098 4.147 18.098 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.401 1.552 19.595 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.807 2.595 19.510 1.00 0.00 H new ATOM 0 HG SER A 48 63.438 3.112 21.326 1.00 0.00 H new ATOM 746 N VAL A 49 64.653 3.800 16.196 1.00 0.00 N ATOM 747 CA VAL A 49 65.681 3.658 15.166 1.00 0.00 C ATOM 748 C VAL A 49 67.004 3.243 15.790 1.00 0.00 C ATOM 749 O VAL A 49 67.788 2.513 15.182 1.00 0.00 O ATOM 750 CB VAL A 49 65.858 4.977 14.414 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.502 4.710 13.051 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.488 5.628 14.210 1.00 0.00 C ATOM 0 H VAL A 49 64.192 4.710 16.214 1.00 0.00 H new ATOM 0 HA VAL A 49 65.363 2.886 14.466 1.00 0.00 H new ATOM 0 HB VAL A 49 66.500 5.642 14.992 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.627 5.652 12.517 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.476 4.242 13.194 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.862 4.046 12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.609 6.569 13.674 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.850 4.960 13.631 1.00 0.00 H new ATOM 0 HG23 VAL A 49 64.028 5.819 15.180 1.00 0.00 H new ATOM 762 N ILE A 50 67.237 3.693 17.015 1.00 0.00 N ATOM 763 CA ILE A 50 68.439 3.353 17.726 1.00 0.00 C ATOM 764 C ILE A 50 68.506 1.846 17.857 1.00 0.00 C ATOM 765 O ILE A 50 69.572 1.236 17.784 1.00 0.00 O ATOM 766 CB ILE A 50 68.351 4.029 19.096 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.573 4.922 19.323 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.238 2.997 20.210 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.863 4.099 19.200 1.00 0.00 C ATOM 0 H ILE A 50 66.598 4.298 17.531 1.00 0.00 H new ATOM 0 HA ILE A 50 69.339 3.689 17.210 1.00 0.00 H new ATOM 0 HB ILE A 50 67.452 4.645 19.114 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.580 5.733 18.595 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.519 5.381 20.310 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.177 3.505 21.172 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.341 2.396 20.060 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.115 2.350 20.197 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.725 4.746 19.364 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.860 3.304 19.946 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.922 3.662 18.203 1.00 0.00 H new ATOM 781 N ALA A 51 67.334 1.267 18.042 1.00 0.00 N ATOM 782 CA ALA A 51 67.200 -0.156 18.178 1.00 0.00 C ATOM 783 C ALA A 51 67.406 -0.815 16.818 1.00 0.00 C ATOM 784 O ALA A 51 68.127 -1.804 16.701 1.00 0.00 O ATOM 785 CB ALA A 51 65.812 -0.454 18.748 1.00 0.00 C ATOM 0 H ALA A 51 66.453 1.778 18.101 1.00 0.00 H new ATOM 0 HA ALA A 51 67.951 -0.559 18.857 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.688 -1.531 18.860 1.00 0.00 H new ATOM 0 HB2 ALA A 51 65.707 0.026 19.721 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.050 -0.070 18.070 1.00 0.00 H new ATOM 791 N LEU A 52 66.801 -0.240 15.783 1.00 0.00 N ATOM 792 CA LEU A 52 66.968 -0.768 14.444 1.00 0.00 C ATOM 793 C LEU A 52 68.453 -0.759 14.102 1.00 0.00 C ATOM 794 O LEU A 52 68.988 -1.715 13.533 1.00 0.00 O ATOM 795 CB LEU A 52 66.190 0.089 13.440 1.00 0.00 C ATOM 796 CG LEU A 52 64.679 -0.008 13.713 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.953 1.118 12.965 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.129 -1.368 13.240 1.00 0.00 C ATOM 0 H LEU A 52 66.199 0.581 15.849 1.00 0.00 H new ATOM 0 HA LEU A 52 66.583 -1.787 14.395 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.513 1.128 13.511 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.405 -0.243 12.424 1.00 0.00 H new ATOM 0 HG LEU A 52 64.511 0.086 14.786 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.882 1.051 13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.324 2.083 13.311 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.136 1.021 11.895 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.059 -1.418 13.442 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.302 -1.478 12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.636 -2.171 13.774 1.00 0.00 H new ATOM 810 N LEU A 53 69.117 0.327 14.483 1.00 0.00 N ATOM 811 CA LEU A 53 70.544 0.465 14.245 1.00 0.00 C ATOM 812 C LEU A 53 71.306 -0.566 15.073 1.00 0.00 C ATOM 813 O LEU A 53 72.399 -0.995 14.706 1.00 0.00 O ATOM 814 CB LEU A 53 70.984 1.879 14.644 1.00 0.00 C ATOM 815 CG LEU A 53 72.049 2.414 13.675 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.236 1.447 13.623 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.450 2.578 12.268 1.00 0.00 C ATOM 0 H LEU A 53 68.688 1.122 14.957 1.00 0.00 H new ATOM 0 HA LEU A 53 70.758 0.300 13.189 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.122 2.546 14.647 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.382 1.868 15.659 1.00 0.00 H new ATOM 0 HG LEU A 53 72.392 3.386 14.029 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.988 1.831 12.934 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.670 1.350 14.618 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.895 0.470 13.280 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.214 2.958 11.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.094 1.612 11.909 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.617 3.280 12.307 1.00 0.00 H new ATOM 829 N MET A 54 70.718 -0.946 16.200 1.00 0.00 N ATOM 830 CA MET A 54 71.342 -1.917 17.093 1.00 0.00 C ATOM 831 C MET A 54 71.469 -3.286 16.430 1.00 0.00 C ATOM 832 O MET A 54 72.445 -4.000 16.660 1.00 0.00 O ATOM 833 CB MET A 54 70.526 -2.056 18.381 1.00 0.00 C ATOM 834 CG MET A 54 71.369 -2.762 19.446 1.00 0.00 C ATOM 835 SD MET A 54 72.482 -1.564 20.224 1.00 0.00 S ATOM 836 CE MET A 54 72.174 -2.036 21.944 1.00 0.00 C ATOM 0 H MET A 54 69.813 -0.599 16.518 1.00 0.00 H new ATOM 0 HA MET A 54 72.341 -1.550 17.327 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.219 -1.073 18.738 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.615 -2.623 18.188 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.721 -3.214 20.197 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.945 -3.569 18.994 1.00 0.00 H new ATOM 0 HE1 MET A 54 72.772 -1.410 22.606 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.117 -1.902 22.175 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.447 -3.081 22.089 1.00 0.00 H new ATOM 846 N LEU A 55 70.490 -3.656 15.605 1.00 0.00 N ATOM 847 CA LEU A 55 70.545 -4.954 14.931 1.00 0.00 C ATOM 848 C LEU A 55 71.353 -4.833 13.643 1.00 0.00 C ATOM 849 O LEU A 55 71.721 -5.835 13.037 1.00 0.00 O ATOM 850 CB LEU A 55 69.141 -5.508 14.604 1.00 0.00 C ATOM 851 CG LEU A 55 68.033 -4.854 15.464 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.908 -4.369 14.543 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.448 -5.871 16.466 1.00 0.00 C ATOM 0 H LEU A 55 69.668 -3.092 15.390 1.00 0.00 H new ATOM 0 HA LEU A 55 71.025 -5.653 15.616 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.924 -5.341 13.549 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.133 -6.586 14.764 1.00 0.00 H new ATOM 0 HG LEU A 55 68.466 -4.020 16.017 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.122 -3.907 15.141 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.305 -3.639 13.838 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.496 -5.216 13.995 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.671 -5.390 17.060 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.020 -6.713 15.922 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.239 -6.229 17.125 1.00 0.00 H new ATOM 865 N ASP A 56 71.631 -3.597 13.241 1.00 0.00 N ATOM 866 CA ASP A 56 72.410 -3.348 12.035 1.00 0.00 C ATOM 867 C ASP A 56 73.638 -4.233 12.050 1.00 0.00 C ATOM 868 O ASP A 56 74.027 -4.798 11.027 1.00 0.00 O ATOM 869 CB ASP A 56 72.840 -1.881 11.971 1.00 0.00 C ATOM 870 CG ASP A 56 73.613 -1.619 10.683 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.337 -0.618 10.043 1.00 0.00 O ATOM 872 OD2 ASP A 56 74.471 -2.423 10.356 1.00 0.00 O ATOM 0 H ASP A 56 71.329 -2.755 13.731 1.00 0.00 H new ATOM 0 HA ASP A 56 71.798 -3.571 11.161 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.964 -1.234 12.017 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.461 -1.638 12.833 1.00 0.00 H new ATOM 877 N SER A 57 74.229 -4.374 13.231 1.00 0.00 N ATOM 878 CA SER A 57 75.392 -5.223 13.377 1.00 0.00 C ATOM 879 C SER A 57 75.040 -6.601 12.854 1.00 0.00 C ATOM 880 O SER A 57 75.907 -7.456 12.676 1.00 0.00 O ATOM 881 CB SER A 57 75.806 -5.311 14.846 1.00 0.00 C ATOM 882 OG SER A 57 74.988 -6.267 15.508 1.00 0.00 O ATOM 0 H SER A 57 73.922 -3.915 14.089 1.00 0.00 H new ATOM 0 HA SER A 57 76.228 -4.807 12.814 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.855 -5.597 14.924 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.705 -4.336 15.323 1.00 0.00 H new ATOM 0 HG SER A 57 75.252 -6.327 16.450 1.00 0.00 H new ATOM 888 N ALA A 58 73.745 -6.800 12.599 1.00 0.00 N ATOM 889 CA ALA A 58 73.270 -8.079 12.079 1.00 0.00 C ATOM 890 C ALA A 58 74.252 -8.613 11.036 1.00 0.00 C ATOM 891 O ALA A 58 75.216 -9.299 11.369 1.00 0.00 O ATOM 892 CB ALA A 58 71.885 -7.911 11.441 1.00 0.00 C ATOM 0 H ALA A 58 73.017 -6.100 12.743 1.00 0.00 H new ATOM 0 HA ALA A 58 73.198 -8.787 12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.542 -8.872 11.057 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.181 -7.547 12.190 1.00 0.00 H new ATOM 0 HB3 ALA A 58 71.946 -7.194 10.622 1.00 0.00 H new ATOM 898 N LYS A 59 74.008 -8.274 9.776 1.00 0.00 N ATOM 899 CA LYS A 59 74.880 -8.708 8.693 1.00 0.00 C ATOM 900 C LYS A 59 75.266 -10.179 8.855 1.00 0.00 C ATOM 901 O LYS A 59 76.401 -10.497 9.210 1.00 0.00 O ATOM 902 CB LYS A 59 76.141 -7.833 8.670 1.00 0.00 C ATOM 903 CG LYS A 59 75.957 -6.681 7.675 1.00 0.00 C ATOM 904 CD LYS A 59 77.237 -5.837 7.614 1.00 0.00 C ATOM 905 CE LYS A 59 77.239 -4.812 8.751 1.00 0.00 C ATOM 906 NZ LYS A 59 78.427 -3.923 8.614 1.00 0.00 N ATOM 0 H LYS A 59 73.217 -7.702 9.480 1.00 0.00 H new ATOM 0 HA LYS A 59 74.343 -8.602 7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.338 -7.437 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.006 -8.434 8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.724 -7.076 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 59 75.114 -6.059 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.112 -6.482 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.302 -5.327 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 59 76.324 -4.221 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 59 77.261 -5.321 9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 78.430 -3.226 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.295 -4.494 8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 78.386 -3.428 7.700 1.00 0.00 H new ATOM 920 N GLY A 60 74.316 -11.073 8.583 1.00 0.00 N ATOM 921 CA GLY A 60 74.573 -12.510 8.691 1.00 0.00 C ATOM 922 C GLY A 60 73.755 -13.138 9.813 1.00 0.00 C ATOM 923 O GLY A 60 73.154 -14.198 9.638 1.00 0.00 O ATOM 0 H GLY A 60 73.370 -10.832 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.331 -12.996 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.634 -12.679 8.874 1.00 0.00 H new ATOM 927 N ARG A 61 73.742 -12.479 10.962 1.00 0.00 N ATOM 928 CA ARG A 61 72.999 -12.973 12.113 1.00 0.00 C ATOM 929 C ARG A 61 71.571 -13.320 11.725 1.00 0.00 C ATOM 930 O ARG A 61 71.209 -13.303 10.549 1.00 0.00 O ATOM 931 CB ARG A 61 72.967 -11.895 13.199 1.00 0.00 C ATOM 932 CG ARG A 61 74.391 -11.451 13.522 1.00 0.00 C ATOM 933 CD ARG A 61 75.205 -12.637 14.047 1.00 0.00 C ATOM 934 NE ARG A 61 74.359 -13.544 14.815 1.00 0.00 N ATOM 935 CZ ARG A 61 74.753 -14.784 15.088 1.00 0.00 C ATOM 936 NH1 ARG A 61 73.979 -15.578 15.775 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.915 -15.206 14.671 1.00 0.00 N ATOM 0 H ARG A 61 74.237 -11.602 11.123 1.00 0.00 H new ATOM 0 HA ARG A 61 73.495 -13.871 12.483 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.377 -11.043 12.862 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.484 -12.282 14.096 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.864 -11.042 12.629 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.372 -10.655 14.266 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.657 -13.173 13.212 1.00 0.00 H new ATOM 0 HD3 ARG A 61 76.021 -12.276 14.673 1.00 0.00 H new ATOM 0 HE ARG A 61 73.450 -13.222 15.148 1.00 0.00 H new ATOM 0 HH11 ARG A 61 73.071 -15.247 16.103 1.00 0.00 H new ATOM 0 HH12 ARG A 61 74.281 -16.529 15.984 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.521 -14.585 14.136 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.217 -16.157 14.880 1.00 0.00 H new ATOM 951 N GLN A 62 70.760 -13.601 12.734 1.00 0.00 N ATOM 952 CA GLN A 62 69.355 -13.914 12.529 1.00 0.00 C ATOM 953 C GLN A 62 68.544 -13.058 13.482 1.00 0.00 C ATOM 954 O GLN A 62 68.970 -12.810 14.608 1.00 0.00 O ATOM 955 CB GLN A 62 69.082 -15.397 12.791 1.00 0.00 C ATOM 956 CG GLN A 62 69.268 -15.687 14.276 1.00 0.00 C ATOM 957 CD GLN A 62 69.536 -17.173 14.496 1.00 0.00 C ATOM 958 OE1 GLN A 62 68.958 -17.782 15.396 1.00 0.00 O ATOM 959 NE2 GLN A 62 70.383 -17.795 13.722 1.00 0.00 N ATOM 0 H GLN A 62 71.055 -13.618 13.710 1.00 0.00 H new ATOM 0 HA GLN A 62 69.077 -13.706 11.496 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.068 -15.652 12.483 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.760 -16.014 12.200 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.098 -15.099 14.667 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.377 -15.386 14.827 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.861 -17.288 12.977 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.567 -18.788 13.862 1.00 0.00 H new ATOM 968 N ILE A 63 67.396 -12.583 13.030 1.00 0.00 N ATOM 969 CA ILE A 63 66.573 -11.730 13.852 1.00 0.00 C ATOM 970 C ILE A 63 65.385 -12.483 14.399 1.00 0.00 C ATOM 971 O ILE A 63 64.877 -13.408 13.775 1.00 0.00 O ATOM 972 CB ILE A 63 66.095 -10.553 13.017 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.480 -9.488 13.923 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.050 -11.031 12.009 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.575 -8.554 14.435 1.00 0.00 C ATOM 0 H ILE A 63 67.019 -12.776 12.102 1.00 0.00 H new ATOM 0 HA ILE A 63 67.165 -11.377 14.696 1.00 0.00 H new ATOM 0 HB ILE A 63 66.944 -10.124 12.485 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.730 -8.919 13.374 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.970 -9.961 14.762 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.708 -10.186 11.411 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.492 -11.783 11.355 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.203 -11.465 12.541 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.133 -7.795 15.081 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.309 -9.129 15.000 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.065 -8.070 13.590 1.00 0.00 H new ATOM 987 N GLU A 64 64.948 -12.050 15.563 1.00 0.00 N ATOM 988 CA GLU A 64 63.805 -12.638 16.227 1.00 0.00 C ATOM 989 C GLU A 64 62.700 -11.600 16.268 1.00 0.00 C ATOM 990 O GLU A 64 62.767 -10.641 17.038 1.00 0.00 O ATOM 991 CB GLU A 64 64.202 -13.074 17.643 1.00 0.00 C ATOM 992 CG GLU A 64 63.623 -14.455 17.945 1.00 0.00 C ATOM 993 CD GLU A 64 62.099 -14.397 17.935 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.513 -14.887 16.984 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.540 -13.864 18.880 1.00 0.00 O ATOM 0 H GLU A 64 65.376 -11.279 16.076 1.00 0.00 H new ATOM 0 HA GLU A 64 63.455 -13.520 15.690 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.288 -13.098 17.734 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.837 -12.350 18.371 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.972 -15.174 17.204 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.975 -14.801 18.917 1.00 0.00 H new ATOM 1002 N VAL A 65 61.706 -11.767 15.406 1.00 0.00 N ATOM 1003 CA VAL A 65 60.630 -10.808 15.331 1.00 0.00 C ATOM 1004 C VAL A 65 59.465 -11.208 16.214 1.00 0.00 C ATOM 1005 O VAL A 65 59.072 -12.369 16.224 1.00 0.00 O ATOM 1006 CB VAL A 65 60.158 -10.723 13.880 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.736 -12.102 13.371 1.00 0.00 C ATOM 1008 CG2 VAL A 65 58.977 -9.756 13.794 1.00 0.00 C ATOM 0 H VAL A 65 61.629 -12.551 14.758 1.00 0.00 H new ATOM 0 HA VAL A 65 60.997 -9.843 15.679 1.00 0.00 H new ATOM 0 HB VAL A 65 60.978 -10.363 13.259 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.403 -12.022 12.336 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.583 -12.786 13.428 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.921 -12.483 13.986 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.635 -9.690 12.761 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.164 -10.118 14.423 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.289 -8.769 14.136 1.00 0.00 H new ATOM 1018 N GLU A 66 58.885 -10.248 16.938 1.00 0.00 N ATOM 1019 CA GLU A 66 57.726 -10.577 17.762 1.00 0.00 C ATOM 1020 C GLU A 66 56.682 -9.463 17.714 1.00 0.00 C ATOM 1021 O GLU A 66 56.923 -8.369 18.213 1.00 0.00 O ATOM 1022 CB GLU A 66 58.134 -10.825 19.213 1.00 0.00 C ATOM 1023 CG GLU A 66 56.872 -10.951 20.073 1.00 0.00 C ATOM 1024 CD GLU A 66 57.209 -11.612 21.406 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.424 -12.812 21.412 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.247 -10.907 22.401 1.00 0.00 O ATOM 0 H GLU A 66 59.186 -9.274 16.971 1.00 0.00 H new ATOM 0 HA GLU A 66 57.291 -11.490 17.354 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.731 -11.734 19.286 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.755 -10.006 19.574 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.441 -9.965 20.246 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.121 -11.540 19.546 1.00 0.00 H new ATOM 1033 N ALA A 67 55.514 -9.756 17.123 1.00 0.00 N ATOM 1034 CA ALA A 67 54.436 -8.778 17.015 1.00 0.00 C ATOM 1035 C ALA A 67 53.263 -9.167 17.903 1.00 0.00 C ATOM 1036 O ALA A 67 53.025 -10.350 18.142 1.00 0.00 O ATOM 1037 CB ALA A 67 54.017 -8.686 15.552 1.00 0.00 C ATOM 0 H ALA A 67 55.298 -10.665 16.714 1.00 0.00 H new ATOM 0 HA ALA A 67 54.782 -7.802 17.356 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.211 -7.959 15.449 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.869 -8.371 14.949 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.671 -9.662 15.210 1.00 0.00 H new ATOM 1043 N THR A 68 52.547 -8.166 18.424 1.00 0.00 N ATOM 1044 CA THR A 68 51.431 -8.445 19.307 1.00 0.00 C ATOM 1045 C THR A 68 50.375 -7.338 19.272 1.00 0.00 C ATOM 1046 O THR A 68 50.542 -6.284 19.886 1.00 0.00 O ATOM 1047 CB THR A 68 51.951 -8.583 20.734 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.984 -9.556 20.771 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.808 -9.005 21.647 1.00 0.00 C ATOM 0 H THR A 68 52.722 -7.176 18.249 1.00 0.00 H new ATOM 0 HA THR A 68 50.961 -9.368 18.967 1.00 0.00 H new ATOM 0 HB THR A 68 52.350 -7.627 21.074 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.319 -9.643 21.688 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.176 -9.105 22.668 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.021 -8.251 21.617 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.408 -9.961 21.311 1.00 0.00 H new ATOM 1057 N GLY A 69 49.281 -7.604 18.571 1.00 0.00 N ATOM 1058 CA GLY A 69 48.178 -6.653 18.473 1.00 0.00 C ATOM 1059 C GLY A 69 47.168 -7.102 17.421 1.00 0.00 C ATOM 1060 O GLY A 69 47.348 -8.121 16.764 1.00 0.00 O ATOM 0 H GLY A 69 49.132 -8.474 18.059 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.685 -6.560 19.441 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.564 -5.667 18.216 1.00 0.00 H new ATOM 1064 N PRO A 70 46.116 -6.365 17.249 1.00 0.00 N ATOM 1065 CA PRO A 70 45.062 -6.693 16.251 1.00 0.00 C ATOM 1066 C PRO A 70 45.623 -7.198 14.925 1.00 0.00 C ATOM 1067 O PRO A 70 45.154 -8.199 14.382 1.00 0.00 O ATOM 1068 CB PRO A 70 44.365 -5.355 16.056 1.00 0.00 C ATOM 1069 CG PRO A 70 44.457 -4.690 17.388 1.00 0.00 C ATOM 1070 CD PRO A 70 45.794 -5.134 17.992 1.00 0.00 C ATOM 0 HA PRO A 70 44.414 -7.500 16.594 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.852 -4.762 15.282 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.328 -5.489 15.750 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.416 -3.606 17.286 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.624 -4.982 18.028 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.565 -4.374 17.863 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.708 -5.322 19.062 1.00 0.00 H new ATOM 1078 N GLN A 71 46.600 -6.475 14.393 1.00 0.00 N ATOM 1079 CA GLN A 71 47.192 -6.834 13.098 1.00 0.00 C ATOM 1080 C GLN A 71 48.712 -7.037 13.180 1.00 0.00 C ATOM 1081 O GLN A 71 49.468 -6.490 12.381 1.00 0.00 O ATOM 1082 CB GLN A 71 46.866 -5.733 12.085 1.00 0.00 C ATOM 1083 CG GLN A 71 45.426 -5.908 11.575 1.00 0.00 C ATOM 1084 CD GLN A 71 44.794 -4.546 11.307 1.00 0.00 C ATOM 1085 OE1 GLN A 71 45.562 -3.517 11.082 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 43.570 -4.417 11.301 1.00 0.00 N flip ATOM 0 H GLN A 71 47.000 -5.644 14.828 1.00 0.00 H new ATOM 0 HA GLN A 71 46.764 -7.786 12.785 1.00 0.00 H new ATOM 0 HB2 GLN A 71 46.981 -4.753 12.549 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.565 -5.775 11.250 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.425 -6.503 10.662 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.835 -6.453 12.311 1.00 0.00 H new ATOM 0 HE21 GLN A 71 42.971 -5.224 11.477 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.154 -3.503 11.120 1.00 0.00 H new ATOM 1095 N GLU A 72 49.145 -7.834 14.144 1.00 0.00 N ATOM 1096 CA GLU A 72 50.567 -8.124 14.331 1.00 0.00 C ATOM 1097 C GLU A 72 51.108 -9.049 13.257 1.00 0.00 C ATOM 1098 O GLU A 72 52.277 -8.965 12.890 1.00 0.00 O ATOM 1099 CB GLU A 72 50.757 -8.788 15.702 1.00 0.00 C ATOM 1100 CG GLU A 72 49.488 -9.554 16.068 1.00 0.00 C ATOM 1101 CD GLU A 72 49.788 -10.642 17.090 1.00 0.00 C ATOM 1102 OE1 GLU A 72 48.845 -11.212 17.614 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.952 -10.890 17.333 1.00 0.00 O ATOM 0 H GLU A 72 48.532 -8.296 14.815 1.00 0.00 H new ATOM 0 HA GLU A 72 51.115 -7.184 14.267 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.611 -9.465 15.676 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.972 -8.033 16.459 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.746 -8.865 16.471 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.056 -10.000 15.172 1.00 0.00 H new ATOM 1110 N GLU A 73 50.272 -9.938 12.777 1.00 0.00 N ATOM 1111 CA GLU A 73 50.708 -10.887 11.769 1.00 0.00 C ATOM 1112 C GLU A 73 51.092 -10.188 10.475 1.00 0.00 C ATOM 1113 O GLU A 73 52.208 -10.350 9.994 1.00 0.00 O ATOM 1114 CB GLU A 73 49.605 -11.914 11.501 1.00 0.00 C ATOM 1115 CG GLU A 73 49.419 -12.806 12.742 1.00 0.00 C ATOM 1116 CD GLU A 73 49.485 -14.286 12.361 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.752 -15.090 13.238 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.261 -14.593 11.202 1.00 0.00 O ATOM 0 H GLU A 73 49.296 -10.028 13.061 1.00 0.00 H new ATOM 0 HA GLU A 73 51.592 -11.397 12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.671 -11.406 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.865 -12.525 10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.192 -12.580 13.477 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.459 -12.589 13.211 1.00 0.00 H new ATOM 1125 N GLU A 74 50.177 -9.410 9.916 1.00 0.00 N ATOM 1126 CA GLU A 74 50.466 -8.710 8.669 1.00 0.00 C ATOM 1127 C GLU A 74 51.679 -7.803 8.849 1.00 0.00 C ATOM 1128 O GLU A 74 52.512 -7.666 7.953 1.00 0.00 O ATOM 1129 CB GLU A 74 49.250 -7.894 8.228 1.00 0.00 C ATOM 1130 CG GLU A 74 48.502 -7.379 9.457 1.00 0.00 C ATOM 1131 CD GLU A 74 47.538 -8.444 9.971 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.530 -8.667 9.321 1.00 0.00 O ATOM 1133 OE2 GLU A 74 47.821 -9.020 11.008 1.00 0.00 O ATOM 0 H GLU A 74 49.244 -9.248 10.296 1.00 0.00 H new ATOM 0 HA GLU A 74 50.690 -9.444 7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.568 -7.057 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 74 48.588 -8.510 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 74 49.213 -7.113 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.953 -6.472 9.204 1.00 0.00 H new ATOM 1140 N ALA A 75 51.764 -7.196 10.022 1.00 0.00 N ATOM 1141 CA ALA A 75 52.871 -6.302 10.351 1.00 0.00 C ATOM 1142 C ALA A 75 54.193 -7.050 10.342 1.00 0.00 C ATOM 1143 O ALA A 75 55.105 -6.689 9.607 1.00 0.00 O ATOM 1144 CB ALA A 75 52.628 -5.667 11.732 1.00 0.00 C ATOM 0 H ALA A 75 51.077 -7.305 10.768 1.00 0.00 H new ATOM 0 HA ALA A 75 52.923 -5.517 9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.455 -5.000 11.976 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.698 -5.100 11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.559 -6.451 12.486 1.00 0.00 H new ATOM 1150 N LEU A 76 54.278 -8.093 11.146 1.00 0.00 N ATOM 1151 CA LEU A 76 55.482 -8.905 11.225 1.00 0.00 C ATOM 1152 C LEU A 76 55.649 -9.697 9.935 1.00 0.00 C ATOM 1153 O LEU A 76 56.762 -9.975 9.496 1.00 0.00 O ATOM 1154 CB LEU A 76 55.324 -9.833 12.435 1.00 0.00 C ATOM 1155 CG LEU A 76 55.916 -11.229 12.178 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.079 -11.960 13.521 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.978 -12.047 11.267 1.00 0.00 C ATOM 0 H LEU A 76 53.523 -8.401 11.759 1.00 0.00 H new ATOM 0 HA LEU A 76 56.373 -8.290 11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.814 -9.386 13.300 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.267 -9.928 12.682 1.00 0.00 H new ATOM 0 HG LEU A 76 56.883 -11.122 11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.498 -12.951 13.347 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.748 -11.391 14.166 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.106 -12.057 14.003 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.409 -13.033 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.006 -12.155 11.749 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.855 -11.531 10.315 1.00 0.00 H new ATOM 1169 N ALA A 77 54.522 -10.048 9.337 1.00 0.00 N ATOM 1170 CA ALA A 77 54.518 -10.805 8.093 1.00 0.00 C ATOM 1171 C ALA A 77 54.929 -9.920 6.921 1.00 0.00 C ATOM 1172 O ALA A 77 55.405 -10.411 5.896 1.00 0.00 O ATOM 1173 CB ALA A 77 53.112 -11.342 7.841 1.00 0.00 C ATOM 0 H ALA A 77 53.594 -9.820 9.694 1.00 0.00 H new ATOM 0 HA ALA A 77 55.230 -11.626 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.101 -11.910 6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.817 -11.990 8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.413 -10.509 7.766 1.00 0.00 H new ATOM 1179 N ALA A 78 54.748 -8.614 7.080 1.00 0.00 N ATOM 1180 CA ALA A 78 55.108 -7.675 6.026 1.00 0.00 C ATOM 1181 C ALA A 78 56.613 -7.466 6.031 1.00 0.00 C ATOM 1182 O ALA A 78 57.262 -7.431 4.980 1.00 0.00 O ATOM 1183 CB ALA A 78 54.385 -6.341 6.242 1.00 0.00 C ATOM 0 H ALA A 78 54.358 -8.185 7.919 1.00 0.00 H new ATOM 0 HA ALA A 78 54.806 -8.080 5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.660 -5.645 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.307 -6.504 6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.672 -5.923 7.207 1.00 0.00 H new ATOM 1189 N VAL A 79 57.168 -7.368 7.229 1.00 0.00 N ATOM 1190 CA VAL A 79 58.598 -7.201 7.379 1.00 0.00 C ATOM 1191 C VAL A 79 59.285 -8.448 6.868 1.00 0.00 C ATOM 1192 O VAL A 79 60.258 -8.384 6.127 1.00 0.00 O ATOM 1193 CB VAL A 79 58.947 -7.004 8.862 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.681 -6.705 9.652 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.581 -8.277 9.415 1.00 0.00 C ATOM 0 H VAL A 79 56.649 -7.401 8.106 1.00 0.00 H new ATOM 0 HA VAL A 79 58.928 -6.328 6.815 1.00 0.00 H new ATOM 0 HB VAL A 79 59.646 -6.172 8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.933 -6.566 10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.218 -5.797 9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.985 -7.538 9.553 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.827 -8.133 10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.880 -9.105 9.316 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.490 -8.503 8.857 1.00 0.00 H new ATOM 1205 N ILE A 80 58.758 -9.584 7.303 1.00 0.00 N ATOM 1206 CA ILE A 80 59.296 -10.869 6.932 1.00 0.00 C ATOM 1207 C ILE A 80 59.515 -10.918 5.458 1.00 0.00 C ATOM 1208 O ILE A 80 60.634 -11.095 4.998 1.00 0.00 O ATOM 1209 CB ILE A 80 58.336 -11.944 7.401 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.528 -12.070 8.917 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.622 -13.272 6.685 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.333 -13.320 9.255 1.00 0.00 C ATOM 0 H ILE A 80 57.948 -9.632 7.921 1.00 0.00 H new ATOM 0 HA ILE A 80 60.263 -11.037 7.406 1.00 0.00 H new ATOM 0 HB ILE A 80 57.303 -11.684 7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.041 -11.187 9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.557 -12.112 9.410 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.923 -14.032 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.505 -13.138 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.642 -13.590 6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.458 -13.391 10.335 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.805 -14.202 8.892 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.312 -13.262 8.779 1.00 0.00 H new ATOM 1224 N ALA A 81 58.465 -10.711 4.709 1.00 0.00 N ATOM 1225 CA ALA A 81 58.629 -10.694 3.280 1.00 0.00 C ATOM 1226 C ALA A 81 59.811 -9.811 2.962 1.00 0.00 C ATOM 1227 O ALA A 81 60.482 -9.995 1.948 1.00 0.00 O ATOM 1228 CB ALA A 81 57.397 -10.138 2.601 1.00 0.00 C ATOM 0 H ALA A 81 57.516 -10.556 5.049 1.00 0.00 H new ATOM 0 HA ALA A 81 58.786 -11.711 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.546 -10.136 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.535 -10.758 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.221 -9.119 2.945 1.00 0.00 H new ATOM 1234 N LEU A 82 60.088 -8.863 3.862 1.00 0.00 N ATOM 1235 CA LEU A 82 61.227 -7.993 3.666 1.00 0.00 C ATOM 1236 C LEU A 82 62.430 -8.587 4.371 1.00 0.00 C ATOM 1237 O LEU A 82 63.545 -8.555 3.855 1.00 0.00 O ATOM 1238 CB LEU A 82 60.937 -6.584 4.180 1.00 0.00 C ATOM 1239 CG LEU A 82 61.626 -5.567 3.259 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.127 -5.877 3.198 1.00 0.00 C ATOM 1241 CD2 LEU A 82 61.019 -5.652 1.846 1.00 0.00 C ATOM 0 H LEU A 82 59.548 -8.689 4.710 1.00 0.00 H new ATOM 0 HA LEU A 82 61.436 -7.912 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.862 -6.405 4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.300 -6.473 5.202 1.00 0.00 H new ATOM 0 HG LEU A 82 61.477 -4.560 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.621 -5.157 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.553 -5.811 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.275 -6.883 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.510 -4.929 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 82 61.164 -6.656 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.953 -5.431 1.894 1.00 0.00 H new ATOM 1253 N PHE A 83 62.192 -9.157 5.546 1.00 0.00 N ATOM 1254 CA PHE A 83 63.267 -9.781 6.280 1.00 0.00 C ATOM 1255 C PHE A 83 63.709 -11.012 5.516 1.00 0.00 C ATOM 1256 O PHE A 83 64.888 -11.365 5.490 1.00 0.00 O ATOM 1257 CB PHE A 83 62.835 -10.162 7.690 1.00 0.00 C ATOM 1258 CG PHE A 83 62.878 -8.971 8.620 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.992 -9.195 9.996 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.807 -7.654 8.131 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.038 -8.122 10.880 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.852 -6.580 9.025 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.970 -6.819 10.397 1.00 0.00 C ATOM 0 H PHE A 83 61.279 -9.196 5.998 1.00 0.00 H new ATOM 0 HA PHE A 83 64.092 -9.075 6.378 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.825 -10.570 7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.487 -10.948 8.072 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.045 -10.205 10.374 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.718 -7.473 7.070 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.127 -8.300 11.941 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.796 -5.567 8.656 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.009 -5.988 11.086 1.00 0.00 H new ATOM 1273 N ASN A 84 62.740 -11.634 4.861 1.00 0.00 N ATOM 1274 CA ASN A 84 62.997 -12.802 4.048 1.00 0.00 C ATOM 1275 C ASN A 84 63.571 -12.345 2.734 1.00 0.00 C ATOM 1276 O ASN A 84 64.194 -13.102 1.990 1.00 0.00 O ATOM 1277 CB ASN A 84 61.688 -13.553 3.810 1.00 0.00 C ATOM 1278 CG ASN A 84 61.916 -15.061 3.864 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.769 -15.587 3.149 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.198 -15.790 4.674 1.00 0.00 N ATOM 0 H ASN A 84 61.763 -11.342 4.881 1.00 0.00 H new ATOM 0 HA ASN A 84 63.699 -13.468 4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.954 -13.264 4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.275 -13.277 2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.343 -16.799 4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.492 -15.351 5.265 1.00 0.00 H new ATOM 1287 N SER A 85 63.341 -11.079 2.479 1.00 0.00 N ATOM 1288 CA SER A 85 63.820 -10.442 1.250 1.00 0.00 C ATOM 1289 C SER A 85 64.525 -9.126 1.562 1.00 0.00 C ATOM 1290 O SER A 85 65.346 -9.116 2.464 1.00 0.00 O ATOM 1291 CB SER A 85 62.650 -10.188 0.298 1.00 0.00 C ATOM 1292 OG SER A 85 62.059 -8.931 0.599 1.00 0.00 O ATOM 1293 OXT SER A 85 64.236 -8.148 0.892 1.00 0.00 O ATOM 0 H SER A 85 62.824 -10.458 3.101 1.00 0.00 H new ATOM 0 HA SER A 85 64.533 -11.115 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 85 62.998 -10.200 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 85 61.910 -10.982 0.394 1.00 0.00 H new ATOM 0 HG SER A 85 61.155 -9.070 0.951 1.00 0.00 H new