USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 538 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 7 THR OG1 : rot 180:sc= -4.68! USER MOD Single : A 9 CYS SG : rot 47:sc= 0.499 USER MOD Single : A 13 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 14 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.4!) USER MOD Single : A 32 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -7.33! C(o=-7.3!,f=-12!) USER MOD Single : A 44 GLN : amide:sc= -0.0264 K(o=-0.026,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.04) USER MOD Single : A 56 THR OG1 : rot -130:sc= -1.71 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 61:sc= 0.0973 USER MOD Single : A 93 THR OG1 : rot 119:sc= 0.0332 USER MOD Single : A 96 GLN : amide:sc= -1.72 X(o=-1.7,f=-2.1) USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= -6.05! (180deg=-6.51!) USER MOD Single : A 100 GLN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 102 THR OG1 : rot -73:sc= 0.531 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0765 K(o=-0.076,f=-2!) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0478 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N THR A 7 17.368 2.813 12.480 1.00 0.00 N ATOM 91 CA THR A 7 17.206 2.698 11.034 1.00 0.00 C ATOM 92 C THR A 7 16.405 1.459 10.676 1.00 0.00 C ATOM 93 O THR A 7 16.694 0.359 11.147 1.00 0.00 O ATOM 94 CB THR A 7 18.570 2.636 10.353 1.00 0.00 C ATOM 95 OG1 THR A 7 18.481 1.984 9.097 1.00 0.00 O ATOM 96 CG2 THR A 7 19.602 1.898 11.176 1.00 0.00 C ATOM 0 HA THR A 7 16.666 3.578 10.685 1.00 0.00 H new ATOM 0 HB THR A 7 18.884 3.673 10.233 1.00 0.00 H new ATOM 0 HG1 THR A 7 19.367 1.958 8.679 1.00 0.00 H new ATOM 0 HG21 THR A 7 20.552 1.886 10.642 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.731 2.401 12.134 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.268 0.874 11.346 1.00 0.00 H new ATOM 104 N PHE A 8 15.403 1.643 9.833 1.00 0.00 N ATOM 105 CA PHE A 8 14.566 0.539 9.406 1.00 0.00 C ATOM 106 C PHE A 8 14.083 0.698 7.973 1.00 0.00 C ATOM 107 O PHE A 8 13.393 1.660 7.643 1.00 0.00 O ATOM 108 CB PHE A 8 13.371 0.393 10.334 1.00 0.00 C ATOM 109 CG PHE A 8 13.312 -0.944 10.986 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.213 -1.289 11.980 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.353 -1.857 10.597 1.00 0.00 C ATOM 112 CE1 PHE A 8 14.153 -2.529 12.582 1.00 0.00 C ATOM 113 CE2 PHE A 8 12.288 -3.103 11.195 1.00 0.00 C ATOM 114 CZ PHE A 8 13.188 -3.438 12.190 1.00 0.00 C ATOM 0 H PHE A 8 15.151 2.546 9.432 1.00 0.00 H new ATOM 0 HA PHE A 8 15.181 -0.360 9.450 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.415 1.166 11.102 1.00 0.00 H new ATOM 0 HB3 PHE A 8 12.454 0.558 9.768 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.969 -0.581 12.286 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.649 -1.597 9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.858 -2.789 13.358 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.535 -3.813 10.885 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.137 -4.409 12.660 1.00 0.00 H new ATOM 124 N CYS A 9 14.408 -0.278 7.140 1.00 0.00 N ATOM 125 CA CYS A 9 13.967 -0.277 5.754 1.00 0.00 C ATOM 126 C CYS A 9 12.956 -1.406 5.562 1.00 0.00 C ATOM 127 O CYS A 9 13.214 -2.551 5.933 1.00 0.00 O ATOM 128 CB CYS A 9 15.153 -0.445 4.801 1.00 0.00 C ATOM 129 SG CYS A 9 16.360 -1.687 5.324 1.00 0.00 S ATOM 0 H CYS A 9 14.977 -1.083 7.401 1.00 0.00 H new ATOM 0 HA CYS A 9 13.498 0.680 5.524 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.776 -0.715 3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.659 0.515 4.697 1.00 0.00 H new ATOM 0 HG CYS A 9 15.739 -2.771 5.683 1.00 0.00 H new ATOM 135 N VAL A 10 11.798 -1.074 5.011 1.00 0.00 N ATOM 136 CA VAL A 10 10.737 -2.057 4.803 1.00 0.00 C ATOM 137 C VAL A 10 10.546 -2.370 3.331 1.00 0.00 C ATOM 138 O VAL A 10 10.830 -1.551 2.470 1.00 0.00 O ATOM 139 CB VAL A 10 9.386 -1.565 5.388 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.400 -1.165 4.292 1.00 0.00 C ATOM 141 CG2 VAL A 10 8.777 -2.626 6.288 1.00 0.00 C ATOM 0 H VAL A 10 11.566 -0.131 4.698 1.00 0.00 H new ATOM 0 HA VAL A 10 11.049 -2.962 5.324 1.00 0.00 H new ATOM 0 HB VAL A 10 9.594 -0.674 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.469 -0.827 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.826 -0.358 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.201 -2.024 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.831 -2.263 6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.603 -3.535 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.460 -2.842 7.109 1.00 0.00 H new ATOM 151 N VAL A 11 10.053 -3.560 3.053 1.00 0.00 N ATOM 152 CA VAL A 11 9.816 -3.972 1.686 1.00 0.00 C ATOM 153 C VAL A 11 8.486 -4.706 1.568 1.00 0.00 C ATOM 154 O VAL A 11 8.346 -5.847 2.007 1.00 0.00 O ATOM 155 CB VAL A 11 10.972 -4.846 1.182 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.366 -5.867 2.231 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.631 -5.516 -0.143 1.00 0.00 C ATOM 0 H VAL A 11 9.809 -4.258 3.756 1.00 0.00 H new ATOM 0 HA VAL A 11 9.765 -3.081 1.060 1.00 0.00 H new ATOM 0 HB VAL A 11 11.829 -4.197 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.187 -6.477 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.682 -5.353 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.512 -6.506 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.473 -6.127 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.752 -6.148 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.424 -4.753 -0.894 1.00 0.00 H new ATOM 167 N VAL A 12 7.511 -4.024 0.981 1.00 0.00 N ATOM 168 CA VAL A 12 6.179 -4.580 0.804 1.00 0.00 C ATOM 169 C VAL A 12 6.051 -5.265 -0.549 1.00 0.00 C ATOM 170 O VAL A 12 6.467 -4.723 -1.572 1.00 0.00 O ATOM 171 CB VAL A 12 5.106 -3.478 0.919 1.00 0.00 C ATOM 172 CG1 VAL A 12 3.717 -4.056 0.711 1.00 0.00 C ATOM 173 CG2 VAL A 12 5.204 -2.777 2.264 1.00 0.00 C ATOM 0 H VAL A 12 7.621 -3.077 0.617 1.00 0.00 H new ATOM 0 HA VAL A 12 6.024 -5.316 1.593 1.00 0.00 H new ATOM 0 HB VAL A 12 5.285 -2.741 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.976 -3.261 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.655 -4.505 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.522 -4.817 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.439 -2.003 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.053 -3.502 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.190 -2.323 2.367 1.00 0.00 H new ATOM 183 N GLN A 13 5.476 -6.461 -0.545 1.00 0.00 N ATOM 184 CA GLN A 13 5.297 -7.225 -1.773 1.00 0.00 C ATOM 185 C GLN A 13 3.821 -7.502 -2.038 1.00 0.00 C ATOM 186 O GLN A 13 3.195 -8.309 -1.349 1.00 0.00 O ATOM 187 CB GLN A 13 6.067 -8.544 -1.693 1.00 0.00 C ATOM 188 CG GLN A 13 7.574 -8.373 -1.793 1.00 0.00 C ATOM 189 CD GLN A 13 8.321 -9.119 -0.704 1.00 0.00 C ATOM 190 OE1 GLN A 13 9.170 -9.965 -0.985 1.00 0.00 O ATOM 191 NE2 GLN A 13 8.007 -8.808 0.549 1.00 0.00 N ATOM 0 H GLN A 13 5.126 -6.923 0.294 1.00 0.00 H new ATOM 0 HA GLN A 13 5.688 -6.630 -2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.827 -9.039 -0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.730 -9.202 -2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.912 -8.726 -2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.820 -7.313 -1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.297 -8.100 0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.476 -9.277 1.324 1.00 0.00 H new ATOM 200 N ASN A 14 3.271 -6.831 -3.044 1.00 0.00 N ATOM 201 CA ASN A 14 1.869 -7.008 -3.407 1.00 0.00 C ATOM 202 C ASN A 14 1.742 -7.971 -4.581 1.00 0.00 C ATOM 203 O ASN A 14 2.601 -8.006 -5.462 1.00 0.00 O ATOM 204 CB ASN A 14 1.220 -5.664 -3.766 1.00 0.00 C ATOM 205 CG ASN A 14 2.001 -4.472 -3.245 1.00 0.00 C ATOM 206 OD1 ASN A 14 1.936 -4.141 -2.061 1.00 0.00 O ATOM 207 ND2 ASN A 14 2.744 -3.821 -4.132 1.00 0.00 N ATOM 0 H ASN A 14 3.775 -6.159 -3.623 1.00 0.00 H new ATOM 0 HA ASN A 14 1.350 -7.425 -2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.131 -5.588 -4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.209 -5.635 -3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.291 -3.011 -3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.767 -4.131 -5.103 1.00 0.00 H new ATOM 482 N ASP A 31 7.744 -5.270 -5.512 1.00 0.00 N ATOM 483 CA ASP A 31 8.273 -5.019 -4.176 1.00 0.00 C ATOM 484 C ASP A 31 8.956 -3.657 -4.101 1.00 0.00 C ATOM 485 O ASP A 31 9.790 -3.322 -4.942 1.00 0.00 O ATOM 486 CB ASP A 31 9.259 -6.117 -3.777 1.00 0.00 C ATOM 487 CG ASP A 31 10.244 -6.441 -4.883 1.00 0.00 C ATOM 488 OD1 ASP A 31 11.215 -5.676 -5.057 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.044 -7.461 -5.576 1.00 0.00 O ATOM 0 HA ASP A 31 7.434 -5.022 -3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.806 -5.804 -2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.707 -7.018 -3.511 1.00 0.00 H new ATOM 494 N ASN A 32 8.599 -2.880 -3.083 1.00 0.00 N ATOM 495 CA ASN A 32 9.182 -1.556 -2.890 1.00 0.00 C ATOM 496 C ASN A 32 9.831 -1.451 -1.513 1.00 0.00 C ATOM 497 O ASN A 32 9.204 -1.756 -0.500 1.00 0.00 O ATOM 498 CB ASN A 32 8.111 -0.474 -3.048 1.00 0.00 C ATOM 499 CG ASN A 32 8.630 0.748 -3.782 1.00 0.00 C ATOM 500 OD1 ASN A 32 9.794 0.800 -4.179 1.00 0.00 O ATOM 501 ND2 ASN A 32 7.766 1.739 -3.968 1.00 0.00 N ATOM 0 H ASN A 32 7.909 -3.144 -2.379 1.00 0.00 H new ATOM 0 HA ASN A 32 9.949 -1.406 -3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.259 -0.886 -3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.750 -0.177 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.058 2.585 -4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.810 1.654 -3.622 1.00 0.00 H new ATOM 508 N SER A 33 11.091 -1.023 -1.483 1.00 0.00 N ATOM 509 CA SER A 33 11.821 -0.889 -0.227 1.00 0.00 C ATOM 510 C SER A 33 11.590 0.474 0.410 1.00 0.00 C ATOM 511 O SER A 33 11.454 1.484 -0.280 1.00 0.00 O ATOM 512 CB SER A 33 13.318 -1.094 -0.444 1.00 0.00 C ATOM 513 OG SER A 33 13.609 -2.436 -0.793 1.00 0.00 O ATOM 0 H SER A 33 11.626 -0.764 -2.312 1.00 0.00 H new ATOM 0 HA SER A 33 11.443 -1.659 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.668 -0.427 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.859 -0.827 0.464 1.00 0.00 H new ATOM 0 HG SER A 33 14.574 -2.537 -0.927 1.00 0.00 H new ATOM 519 N LEU A 34 11.558 0.486 1.734 1.00 0.00 N ATOM 520 CA LEU A 34 11.358 1.713 2.491 1.00 0.00 C ATOM 521 C LEU A 34 12.701 2.190 3.068 1.00 0.00 C ATOM 522 O LEU A 34 13.617 1.393 3.278 1.00 0.00 O ATOM 523 CB LEU A 34 10.294 1.481 3.592 1.00 0.00 C ATOM 524 CG LEU A 34 10.021 2.649 4.531 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.158 2.776 5.516 1.00 0.00 C ATOM 526 CD2 LEU A 34 9.808 3.946 3.760 1.00 0.00 C ATOM 0 H LEU A 34 11.669 -0.348 2.311 1.00 0.00 H new ATOM 0 HA LEU A 34 10.984 2.501 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.357 1.206 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.605 0.626 4.192 1.00 0.00 H new ATOM 0 HG LEU A 34 9.099 2.453 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.965 3.611 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.243 1.856 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.089 2.952 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.616 4.758 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.700 4.173 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.955 3.835 3.090 1.00 0.00 H new ATOM 538 N ALA A 35 12.811 3.495 3.299 1.00 0.00 N ATOM 539 CA ALA A 35 14.024 4.119 3.822 1.00 0.00 C ATOM 540 C ALA A 35 14.276 3.784 5.286 1.00 0.00 C ATOM 541 O ALA A 35 13.374 3.418 6.023 1.00 0.00 O ATOM 542 CB ALA A 35 13.950 5.618 3.648 1.00 0.00 C ATOM 0 H ALA A 35 12.054 4.156 3.127 1.00 0.00 H new ATOM 0 HA ALA A 35 14.860 3.715 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.858 6.075 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.852 5.857 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.086 6.005 4.189 1.00 0.00 H new ATOM 548 N ALA A 36 15.519 3.908 5.703 1.00 0.00 N ATOM 549 CA ALA A 36 15.882 3.598 7.079 1.00 0.00 C ATOM 550 C ALA A 36 15.323 4.647 8.038 1.00 0.00 C ATOM 551 O ALA A 36 15.817 5.771 8.122 1.00 0.00 O ATOM 552 CB ALA A 36 17.394 3.515 7.209 1.00 0.00 C ATOM 0 H ALA A 36 16.294 4.219 5.117 1.00 0.00 H new ATOM 0 HA ALA A 36 15.449 2.633 7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.658 3.283 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.773 2.732 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.836 4.471 6.927 1.00 0.00 H new ATOM 558 N VAL A 37 14.265 4.248 8.744 1.00 0.00 N ATOM 559 CA VAL A 37 13.572 5.106 9.701 1.00 0.00 C ATOM 560 C VAL A 37 13.704 4.556 11.126 1.00 0.00 C ATOM 561 O VAL A 37 14.606 3.768 11.410 1.00 0.00 O ATOM 562 CB VAL A 37 12.077 5.204 9.326 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.483 6.541 9.740 1.00 0.00 C ATOM 564 CG2 VAL A 37 11.900 4.976 7.835 1.00 0.00 C ATOM 0 H VAL A 37 13.863 3.314 8.666 1.00 0.00 H new ATOM 0 HA VAL A 37 14.028 6.095 9.666 1.00 0.00 H new ATOM 0 HB VAL A 37 11.540 4.427 9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.430 6.574 9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.575 6.662 10.819 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.017 7.348 9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.843 5.047 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.459 5.732 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.271 3.986 7.572 1.00 0.00 H new ATOM 574 N SER A 38 12.805 4.970 12.019 1.00 0.00 N ATOM 575 CA SER A 38 12.834 4.510 13.404 1.00 0.00 C ATOM 576 C SER A 38 11.689 3.538 13.684 1.00 0.00 C ATOM 577 O SER A 38 11.066 3.589 14.744 1.00 0.00 O ATOM 578 CB SER A 38 12.750 5.702 14.359 1.00 0.00 C ATOM 579 OG SER A 38 14.015 6.320 14.516 1.00 0.00 O ATOM 0 H SER A 38 12.050 5.622 11.807 1.00 0.00 H new ATOM 0 HA SER A 38 13.776 3.986 13.565 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.032 6.428 13.977 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.381 5.369 15.329 1.00 0.00 H new ATOM 0 HG SER A 38 13.934 7.080 15.130 1.00 0.00 H new ATOM 585 N GLU A 39 11.426 2.648 12.724 1.00 0.00 N ATOM 586 CA GLU A 39 10.364 1.644 12.847 1.00 0.00 C ATOM 587 C GLU A 39 9.003 2.185 12.408 1.00 0.00 C ATOM 588 O GLU A 39 8.092 1.410 12.117 1.00 0.00 O ATOM 589 CB GLU A 39 10.273 1.108 14.279 1.00 0.00 C ATOM 590 CG GLU A 39 10.040 -0.391 14.348 1.00 0.00 C ATOM 591 CD GLU A 39 9.593 -0.853 15.722 1.00 0.00 C ATOM 592 OE1 GLU A 39 8.386 -0.736 16.023 1.00 0.00 O ATOM 593 OE2 GLU A 39 10.449 -1.331 16.495 1.00 0.00 O ATOM 0 H GLU A 39 11.939 2.602 11.844 1.00 0.00 H new ATOM 0 HA GLU A 39 10.632 0.827 12.177 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.194 1.350 14.809 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.463 1.619 14.799 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.286 -0.671 13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.959 -0.910 14.076 1.00 0.00 H new ATOM 600 N SER A 40 8.861 3.508 12.352 1.00 0.00 N ATOM 601 CA SER A 40 7.599 4.116 11.934 1.00 0.00 C ATOM 602 C SER A 40 7.123 3.500 10.621 1.00 0.00 C ATOM 603 O SER A 40 5.924 3.342 10.390 1.00 0.00 O ATOM 604 CB SER A 40 7.765 5.628 11.773 1.00 0.00 C ATOM 605 OG SER A 40 8.118 6.237 13.004 1.00 0.00 O ATOM 0 H SER A 40 9.596 4.174 12.588 1.00 0.00 H new ATOM 0 HA SER A 40 6.851 3.925 12.704 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.533 5.835 11.028 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.836 6.062 11.402 1.00 0.00 H new ATOM 0 HG SER A 40 8.220 7.203 12.874 1.00 0.00 H new ATOM 611 N GLN A 41 8.082 3.147 9.773 1.00 0.00 N ATOM 612 CA GLN A 41 7.793 2.535 8.478 1.00 0.00 C ATOM 613 C GLN A 41 6.938 1.287 8.633 1.00 0.00 C ATOM 614 O GLN A 41 5.980 1.079 7.888 1.00 0.00 O ATOM 615 CB GLN A 41 9.087 2.168 7.755 1.00 0.00 C ATOM 616 CG GLN A 41 10.204 1.650 8.661 1.00 0.00 C ATOM 617 CD GLN A 41 10.137 0.155 8.892 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.644 -0.307 9.921 1.00 0.00 O ATOM 619 NE2 GLN A 41 10.647 -0.613 7.938 1.00 0.00 N ATOM 0 H GLN A 41 9.076 3.275 9.960 1.00 0.00 H new ATOM 0 HA GLN A 41 7.241 3.269 7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.865 1.408 7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.450 3.046 7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.168 1.900 8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.152 2.163 9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.046 -0.189 7.101 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.640 -1.628 8.042 1.00 0.00 H new ATOM 628 N LEU A 42 7.300 0.453 9.596 1.00 0.00 N ATOM 629 CA LEU A 42 6.574 -0.787 9.844 1.00 0.00 C ATOM 630 C LEU A 42 5.105 -0.508 10.126 1.00 0.00 C ATOM 631 O LEU A 42 4.222 -1.043 9.459 1.00 0.00 O ATOM 632 CB LEU A 42 7.202 -1.547 11.017 1.00 0.00 C ATOM 633 CG LEU A 42 6.404 -2.760 11.513 1.00 0.00 C ATOM 634 CD1 LEU A 42 7.117 -4.054 11.157 1.00 0.00 C ATOM 635 CD2 LEU A 42 6.177 -2.670 13.015 1.00 0.00 C ATOM 0 H LEU A 42 8.092 0.611 10.219 1.00 0.00 H new ATOM 0 HA LEU A 42 6.640 -1.404 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.196 -1.883 10.721 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.334 -0.855 11.848 1.00 0.00 H new ATOM 0 HG LEU A 42 5.433 -2.758 11.017 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.534 -4.902 11.518 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.226 -4.123 10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.102 -4.067 11.623 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.610 -3.538 13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.139 -2.645 13.527 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.620 -1.762 13.245 1.00 0.00 H new ATOM 647 N ALA A 43 4.853 0.336 11.117 1.00 0.00 N ATOM 648 CA ALA A 43 3.490 0.685 11.485 1.00 0.00 C ATOM 649 C ALA A 43 2.838 1.557 10.418 1.00 0.00 C ATOM 650 O ALA A 43 1.618 1.550 10.260 1.00 0.00 O ATOM 651 CB ALA A 43 3.474 1.387 12.829 1.00 0.00 C ATOM 0 H ALA A 43 5.573 0.790 11.679 1.00 0.00 H new ATOM 0 HA ALA A 43 2.912 -0.236 11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.448 1.643 13.093 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.891 0.727 13.589 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.072 2.297 12.772 1.00 0.00 H new ATOM 657 N GLN A 44 3.657 2.303 9.681 1.00 0.00 N ATOM 658 CA GLN A 44 3.151 3.170 8.624 1.00 0.00 C ATOM 659 C GLN A 44 2.346 2.361 7.614 1.00 0.00 C ATOM 660 O GLN A 44 1.212 2.708 7.285 1.00 0.00 O ATOM 661 CB GLN A 44 4.307 3.886 7.922 1.00 0.00 C ATOM 662 CG GLN A 44 3.855 4.952 6.937 1.00 0.00 C ATOM 663 CD GLN A 44 4.993 5.845 6.483 1.00 0.00 C ATOM 664 OE1 GLN A 44 5.918 6.127 7.245 1.00 0.00 O ATOM 665 NE2 GLN A 44 4.930 6.296 5.235 1.00 0.00 N ATOM 0 H GLN A 44 4.670 2.324 9.797 1.00 0.00 H new ATOM 0 HA GLN A 44 2.498 3.918 9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.948 4.346 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.913 3.149 7.394 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.406 4.472 6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.080 5.564 7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.145 6.037 4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.667 6.901 4.874 1.00 0.00 H new ATOM 674 N LEU A 45 2.942 1.276 7.131 1.00 0.00 N ATOM 675 CA LEU A 45 2.285 0.405 6.166 1.00 0.00 C ATOM 676 C LEU A 45 1.284 -0.511 6.862 1.00 0.00 C ATOM 677 O LEU A 45 0.115 -0.574 6.481 1.00 0.00 O ATOM 678 CB LEU A 45 3.322 -0.423 5.409 1.00 0.00 C ATOM 679 CG LEU A 45 3.814 0.199 4.101 1.00 0.00 C ATOM 680 CD1 LEU A 45 5.311 -0.017 3.931 1.00 0.00 C ATOM 681 CD2 LEU A 45 3.048 -0.372 2.919 1.00 0.00 C ATOM 0 H LEU A 45 3.882 0.979 7.394 1.00 0.00 H new ATOM 0 HA LEU A 45 1.744 1.028 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.180 -0.588 6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.895 -1.402 5.191 1.00 0.00 H new ATOM 0 HG LEU A 45 3.631 1.273 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.640 0.433 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.842 0.446 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.525 -1.086 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.411 0.082 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.197 -1.451 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.986 -0.157 3.036 1.00 0.00 H new ATOM 692 N LYS A 46 1.754 -1.216 7.884 1.00 0.00 N ATOM 693 CA LYS A 46 0.905 -2.132 8.641 1.00 0.00 C ATOM 694 C LYS A 46 -0.349 -1.427 9.155 1.00 0.00 C ATOM 695 O LYS A 46 -1.369 -2.066 9.416 1.00 0.00 O ATOM 696 CB LYS A 46 1.680 -2.729 9.818 1.00 0.00 C ATOM 697 CG LYS A 46 1.333 -4.183 10.098 1.00 0.00 C ATOM 698 CD LYS A 46 1.226 -4.456 11.590 1.00 0.00 C ATOM 699 CE LYS A 46 0.041 -5.354 11.909 1.00 0.00 C ATOM 700 NZ LYS A 46 -0.329 -5.295 13.350 1.00 0.00 N ATOM 0 H LYS A 46 2.720 -1.172 8.209 1.00 0.00 H new ATOM 0 HA LYS A 46 0.599 -2.933 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.748 -2.651 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.480 -2.138 10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.389 -4.432 9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.095 -4.830 9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.145 -4.926 11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.124 -3.513 12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.814 -5.056 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.281 -6.382 11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.141 -5.921 13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.478 -5.604 13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.583 -4.319 13.603 1.00 0.00 H new ATOM 714 N ALA A 47 -0.266 -0.105 9.303 1.00 0.00 N ATOM 715 CA ALA A 47 -1.393 0.688 9.789 1.00 0.00 C ATOM 716 C ALA A 47 -2.690 0.308 9.079 1.00 0.00 C ATOM 717 O ALA A 47 -3.776 0.413 9.649 1.00 0.00 O ATOM 718 CB ALA A 47 -1.106 2.172 9.612 1.00 0.00 C ATOM 0 H ALA A 47 0.571 0.439 9.093 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.521 0.475 10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.953 2.753 9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.212 2.440 10.176 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.947 2.388 8.556 1.00 0.00 H new ATOM 724 N ASP A 48 -2.568 -0.136 7.832 1.00 0.00 N ATOM 725 CA ASP A 48 -3.730 -0.534 7.045 1.00 0.00 C ATOM 726 C ASP A 48 -3.650 -2.013 6.671 1.00 0.00 C ATOM 727 O ASP A 48 -2.729 -2.432 5.970 1.00 0.00 O ATOM 728 CB ASP A 48 -3.833 0.320 5.780 1.00 0.00 C ATOM 729 CG ASP A 48 -3.797 1.805 6.081 1.00 0.00 C ATOM 730 OD1 ASP A 48 -4.205 2.195 7.195 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.362 2.578 5.202 1.00 0.00 O ATOM 0 H ASP A 48 -1.677 -0.229 7.345 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.622 -0.378 7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.013 0.068 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.759 0.080 5.257 1.00 0.00 H new ATOM 736 N PRO A 49 -4.615 -2.826 7.135 1.00 0.00 N ATOM 737 CA PRO A 49 -4.642 -4.262 6.842 1.00 0.00 C ATOM 738 C PRO A 49 -5.089 -4.552 5.413 1.00 0.00 C ATOM 739 O PRO A 49 -6.171 -5.094 5.187 1.00 0.00 O ATOM 740 CB PRO A 49 -5.660 -4.800 7.845 1.00 0.00 C ATOM 741 CG PRO A 49 -6.592 -3.663 8.075 1.00 0.00 C ATOM 742 CD PRO A 49 -5.755 -2.416 7.979 1.00 0.00 C ATOM 0 HA PRO A 49 -3.656 -4.720 6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.185 -5.670 7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.178 -5.112 8.772 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.390 -3.656 7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.068 -3.740 9.053 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.311 -1.594 7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.425 -2.078 8.961 1.00 0.00 H new ATOM 750 N ARG A 50 -4.250 -4.184 4.450 1.00 0.00 N ATOM 751 CA ARG A 50 -4.559 -4.402 3.042 1.00 0.00 C ATOM 752 C ARG A 50 -3.414 -5.118 2.333 1.00 0.00 C ATOM 753 O ARG A 50 -3.637 -6.042 1.551 1.00 0.00 O ATOM 754 CB ARG A 50 -4.849 -3.069 2.350 1.00 0.00 C ATOM 755 CG ARG A 50 -6.290 -2.608 2.495 1.00 0.00 C ATOM 756 CD ARG A 50 -7.259 -3.595 1.864 1.00 0.00 C ATOM 757 NE ARG A 50 -8.250 -2.928 1.024 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.332 -2.314 1.497 1.00 0.00 C ATOM 759 NH1 ARG A 50 -9.564 -2.278 2.804 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.184 -1.735 0.663 1.00 0.00 N ATOM 0 H ARG A 50 -3.351 -3.733 4.619 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.445 -5.034 2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.189 -2.305 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.610 -3.160 1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.529 -2.487 3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.409 -1.631 2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.703 -4.316 1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.767 -4.156 2.648 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.104 -2.933 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.912 -2.722 3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.395 -1.806 3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.011 -1.760 -0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.013 -1.265 1.026 1.00 0.00 H new ATOM 774 N LEU A 51 -2.188 -4.684 2.608 1.00 0.00 N ATOM 775 CA LEU A 51 -1.010 -5.284 1.992 1.00 0.00 C ATOM 776 C LEU A 51 -0.018 -5.759 3.049 1.00 0.00 C ATOM 777 O LEU A 51 0.165 -5.114 4.082 1.00 0.00 O ATOM 778 CB LEU A 51 -0.337 -4.282 1.053 1.00 0.00 C ATOM 779 CG LEU A 51 -1.208 -3.803 -0.110 1.00 0.00 C ATOM 780 CD1 LEU A 51 -0.583 -2.590 -0.782 1.00 0.00 C ATOM 781 CD2 LEU A 51 -1.418 -4.925 -1.115 1.00 0.00 C ATOM 0 H LEU A 51 -1.985 -3.920 3.253 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.335 -6.151 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.024 -3.415 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.567 -4.737 0.648 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.181 -3.510 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.217 -2.264 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.486 -1.782 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.403 -2.854 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.040 -4.567 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.453 -5.249 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.912 -5.764 -0.625 1.00 0.00 H new ATOM 793 N VAL A 52 0.619 -6.894 2.780 1.00 0.00 N ATOM 794 CA VAL A 52 1.595 -7.470 3.700 1.00 0.00 C ATOM 795 C VAL A 52 2.852 -6.608 3.788 1.00 0.00 C ATOM 796 O VAL A 52 3.624 -6.523 2.834 1.00 0.00 O ATOM 797 CB VAL A 52 2.008 -8.889 3.257 1.00 0.00 C ATOM 798 CG1 VAL A 52 2.698 -9.641 4.384 1.00 0.00 C ATOM 799 CG2 VAL A 52 0.805 -9.668 2.747 1.00 0.00 C ATOM 0 H VAL A 52 0.476 -7.436 1.928 1.00 0.00 H new ATOM 0 HA VAL A 52 1.115 -7.515 4.677 1.00 0.00 H new ATOM 0 HB VAL A 52 2.721 -8.786 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.976 -10.637 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.593 -9.099 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.020 -9.727 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.121 -10.665 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.062 -9.750 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.369 -9.147 1.894 1.00 0.00 H new ATOM 809 N VAL A 53 3.057 -5.983 4.941 1.00 0.00 N ATOM 810 CA VAL A 53 4.231 -5.142 5.154 1.00 0.00 C ATOM 811 C VAL A 53 5.306 -5.915 5.909 1.00 0.00 C ATOM 812 O VAL A 53 5.097 -6.357 7.038 1.00 0.00 O ATOM 813 CB VAL A 53 3.876 -3.844 5.919 1.00 0.00 C ATOM 814 CG1 VAL A 53 2.915 -4.127 7.064 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.127 -3.138 6.432 1.00 0.00 C ATOM 0 H VAL A 53 2.428 -6.042 5.742 1.00 0.00 H new ATOM 0 HA VAL A 53 4.613 -4.858 4.173 1.00 0.00 H new ATOM 0 HB VAL A 53 3.380 -3.177 5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.684 -3.197 7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.996 -4.560 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.376 -4.827 7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.840 -2.231 6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.667 -3.800 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.769 -2.878 5.590 1.00 0.00 H new ATOM 825 N GLN A 54 6.451 -6.084 5.261 1.00 0.00 N ATOM 826 CA GLN A 54 7.567 -6.818 5.849 1.00 0.00 C ATOM 827 C GLN A 54 8.821 -5.952 5.932 1.00 0.00 C ATOM 828 O GLN A 54 9.078 -5.125 5.058 1.00 0.00 O ATOM 829 CB GLN A 54 7.859 -8.080 5.032 1.00 0.00 C ATOM 830 CG GLN A 54 7.276 -9.346 5.640 1.00 0.00 C ATOM 831 CD GLN A 54 8.316 -10.433 5.833 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.105 -11.583 5.449 1.00 0.00 O ATOM 833 NE2 GLN A 54 9.445 -10.073 6.430 1.00 0.00 N ATOM 0 H GLN A 54 6.633 -5.722 4.325 1.00 0.00 H new ATOM 0 HA GLN A 54 7.282 -7.101 6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.459 -7.952 4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.938 -8.198 4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.823 -9.107 6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.480 -9.720 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.577 -9.108 6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.181 -10.762 6.587 1.00 0.00 H new ATOM 842 N ILE A 55 9.598 -6.152 6.993 1.00 0.00 N ATOM 843 CA ILE A 55 10.826 -5.394 7.199 1.00 0.00 C ATOM 844 C ILE A 55 12.058 -6.260 6.952 1.00 0.00 C ATOM 845 O ILE A 55 12.062 -7.454 7.254 1.00 0.00 O ATOM 846 CB ILE A 55 10.886 -4.808 8.626 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.149 -5.913 9.654 1.00 0.00 C ATOM 848 CG2 ILE A 55 9.590 -4.074 8.951 1.00 0.00 C ATOM 849 CD1 ILE A 55 12.617 -6.117 9.959 1.00 0.00 C ATOM 0 H ILE A 55 9.397 -6.834 7.724 1.00 0.00 H new ATOM 0 HA ILE A 55 10.822 -4.575 6.480 1.00 0.00 H new ATOM 0 HB ILE A 55 11.710 -4.096 8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.624 -5.671 10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.729 -6.849 9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.646 -3.666 9.960 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.443 -3.262 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.752 -4.769 8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.729 -6.914 10.694 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.144 -6.390 9.045 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.037 -5.194 10.358 1.00 0.00 H new ATOM 861 N THR A 56 13.103 -5.649 6.403 1.00 0.00 N ATOM 862 CA THR A 56 14.342 -6.361 6.116 1.00 0.00 C ATOM 863 C THR A 56 15.517 -5.704 6.833 1.00 0.00 C ATOM 864 O THR A 56 15.998 -4.648 6.421 1.00 0.00 O ATOM 865 CB THR A 56 14.602 -6.391 4.610 1.00 0.00 C ATOM 866 OG1 THR A 56 13.409 -6.678 3.902 1.00 0.00 O ATOM 867 CG2 THR A 56 15.635 -7.418 4.200 1.00 0.00 C ATOM 0 H THR A 56 13.116 -4.661 6.148 1.00 0.00 H new ATOM 0 HA THR A 56 14.239 -7.384 6.478 1.00 0.00 H new ATOM 0 HB THR A 56 14.981 -5.399 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.574 -7.402 3.263 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.771 -7.386 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.583 -7.197 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.297 -8.412 4.494 1.00 0.00 H new ATOM 1312 N LEU A 89 -27.706 -19.656 -0.810 1.00 0.00 N ATOM 1313 CA LEU A 89 -28.743 -20.543 -1.324 1.00 0.00 C ATOM 1314 C LEU A 89 -28.360 -22.013 -1.151 1.00 0.00 C ATOM 1315 O LEU A 89 -29.219 -22.893 -1.191 1.00 0.00 O ATOM 1316 CB LEU A 89 -29.013 -20.246 -2.800 1.00 0.00 C ATOM 1317 CG LEU A 89 -30.167 -21.038 -3.420 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -31.484 -20.686 -2.745 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -30.245 -20.777 -4.918 1.00 0.00 C ATOM 0 HA LEU A 89 -29.650 -20.359 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -29.223 -19.182 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -28.106 -20.451 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 89 -29.979 -22.100 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -32.291 -21.260 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -31.424 -20.924 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -31.682 -19.621 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -31.070 -21.347 -5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -30.409 -19.714 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -29.311 -21.083 -5.390 1.00 0.00 H new ATOM 1331 N ASN A 90 -27.069 -22.276 -0.966 1.00 0.00 N ATOM 1332 CA ASN A 90 -26.585 -23.645 -0.794 1.00 0.00 C ATOM 1333 C ASN A 90 -27.408 -24.401 0.250 1.00 0.00 C ATOM 1334 O ASN A 90 -27.866 -25.517 0.001 1.00 0.00 O ATOM 1335 CB ASN A 90 -25.109 -23.637 -0.388 1.00 0.00 C ATOM 1336 CG ASN A 90 -24.282 -24.611 -1.203 1.00 0.00 C ATOM 1337 OD1 ASN A 90 -23.939 -24.342 -2.354 1.00 0.00 O ATOM 1338 ND2 ASN A 90 -23.958 -25.755 -0.609 1.00 0.00 N ATOM 0 H ASN A 90 -26.341 -21.563 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 90 -26.694 -24.159 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -24.707 -22.631 -0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -25.024 -23.888 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -23.404 -26.450 -1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -24.263 -25.938 0.347 1.00 0.00 H new ATOM 1345 N THR A 91 -27.589 -23.793 1.420 1.00 0.00 N ATOM 1346 CA THR A 91 -28.353 -24.417 2.501 1.00 0.00 C ATOM 1347 C THR A 91 -29.856 -24.490 2.193 1.00 0.00 C ATOM 1348 O THR A 91 -30.628 -25.012 2.996 1.00 0.00 O ATOM 1349 CB THR A 91 -28.128 -23.661 3.814 1.00 0.00 C ATOM 1350 OG1 THR A 91 -27.533 -22.396 3.573 1.00 0.00 O ATOM 1351 CG2 THR A 91 -27.245 -24.409 4.789 1.00 0.00 C ATOM 0 H THR A 91 -27.218 -22.870 1.645 1.00 0.00 H new ATOM 0 HA THR A 91 -27.990 -25.440 2.597 1.00 0.00 H new ATOM 0 HB THR A 91 -29.118 -23.550 4.257 1.00 0.00 H new ATOM 0 HG1 THR A 91 -28.127 -21.857 3.010 1.00 0.00 H new ATOM 0 HG21 THR A 91 -27.126 -23.819 5.698 1.00 0.00 H new ATOM 0 HG22 THR A 91 -27.704 -25.366 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.268 -24.581 4.337 1.00 0.00 H new ATOM 1359 N PHE A 92 -30.273 -23.972 1.036 1.00 0.00 N ATOM 1360 CA PHE A 92 -31.679 -23.992 0.651 1.00 0.00 C ATOM 1361 C PHE A 92 -31.965 -25.206 -0.232 1.00 0.00 C ATOM 1362 O PHE A 92 -31.593 -25.230 -1.405 1.00 0.00 O ATOM 1363 CB PHE A 92 -32.034 -22.693 -0.082 1.00 0.00 C ATOM 1364 CG PHE A 92 -31.888 -21.460 0.769 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -30.664 -21.125 1.330 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -32.976 -20.636 1.008 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -30.530 -19.993 2.111 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -32.846 -19.503 1.788 1.00 0.00 C ATOM 1369 CZ PHE A 92 -31.623 -19.181 2.340 1.00 0.00 C ATOM 0 H PHE A 92 -29.655 -23.535 0.352 1.00 0.00 H new ATOM 0 HA PHE A 92 -32.296 -24.067 1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -31.396 -22.595 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -33.061 -22.757 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -29.806 -21.757 1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -33.936 -20.882 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -29.572 -19.744 2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -33.702 -18.869 1.966 1.00 0.00 H new ATOM 0 HZ PHE A 92 -31.521 -18.296 2.950 1.00 0.00 H new ATOM 1379 N THR A 93 -32.614 -26.219 0.341 1.00 0.00 N ATOM 1380 CA THR A 93 -32.927 -27.440 -0.400 1.00 0.00 C ATOM 1381 C THR A 93 -34.429 -27.752 -0.386 1.00 0.00 C ATOM 1382 O THR A 93 -35.170 -27.287 -1.252 1.00 0.00 O ATOM 1383 CB THR A 93 -32.133 -28.618 0.167 1.00 0.00 C ATOM 1384 OG1 THR A 93 -31.830 -28.407 1.535 1.00 0.00 O ATOM 1385 CG2 THR A 93 -30.828 -28.865 -0.559 1.00 0.00 C ATOM 0 H THR A 93 -32.932 -26.219 1.310 1.00 0.00 H new ATOM 0 HA THR A 93 -32.639 -27.278 -1.439 1.00 0.00 H new ATOM 0 HB THR A 93 -32.775 -29.489 0.034 1.00 0.00 H new ATOM 0 HG1 THR A 93 -32.240 -29.115 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 93 -30.315 -29.714 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 93 -31.030 -29.080 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 93 -30.198 -27.979 -0.486 1.00 0.00 H new ATOM 1393 N VAL A 94 -34.874 -28.555 0.584 1.00 0.00 N ATOM 1394 CA VAL A 94 -36.286 -28.931 0.676 1.00 0.00 C ATOM 1395 C VAL A 94 -36.870 -28.608 2.050 1.00 0.00 C ATOM 1396 O VAL A 94 -37.923 -27.982 2.157 1.00 0.00 O ATOM 1397 CB VAL A 94 -36.495 -30.432 0.382 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -37.910 -30.689 -0.115 1.00 0.00 C ATOM 1399 CG2 VAL A 94 -35.471 -30.936 -0.626 1.00 0.00 C ATOM 0 H VAL A 94 -34.281 -28.955 1.312 1.00 0.00 H new ATOM 0 HA VAL A 94 -36.808 -28.342 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 94 -36.353 -30.982 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -38.037 -31.753 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -38.625 -30.376 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -38.083 -30.123 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -35.639 -31.996 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -35.573 -30.379 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -34.467 -30.794 -0.227 1.00 0.00 H new ATOM 1409 N GLU A 95 -36.188 -29.048 3.091 1.00 0.00 N ATOM 1410 CA GLU A 95 -36.633 -28.821 4.461 1.00 0.00 C ATOM 1411 C GLU A 95 -36.242 -27.436 4.983 1.00 0.00 C ATOM 1412 O GLU A 95 -36.798 -26.966 5.976 1.00 0.00 O ATOM 1413 CB GLU A 95 -36.066 -29.901 5.385 1.00 0.00 C ATOM 1414 CG GLU A 95 -34.547 -29.916 5.442 1.00 0.00 C ATOM 1415 CD GLU A 95 -33.938 -30.918 4.479 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -34.354 -32.095 4.505 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -33.045 -30.524 3.700 1.00 0.00 O ATOM 0 H GLU A 95 -35.315 -29.570 3.016 1.00 0.00 H new ATOM 0 HA GLU A 95 -37.722 -28.872 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -36.458 -29.749 6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -36.418 -30.876 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -34.168 -28.920 5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -34.227 -30.152 6.457 1.00 0.00 H new ATOM 1424 N GLN A 96 -35.260 -26.802 4.346 1.00 0.00 N ATOM 1425 CA GLN A 96 -34.781 -25.499 4.798 1.00 0.00 C ATOM 1426 C GLN A 96 -35.625 -24.357 4.266 1.00 0.00 C ATOM 1427 O GLN A 96 -35.691 -23.294 4.883 1.00 0.00 O ATOM 1428 CB GLN A 96 -33.319 -25.302 4.388 1.00 0.00 C ATOM 1429 CG GLN A 96 -32.355 -25.291 5.564 1.00 0.00 C ATOM 1430 CD GLN A 96 -31.200 -26.255 5.383 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -30.042 -25.908 5.620 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -31.508 -27.476 4.962 1.00 0.00 N ATOM 0 H GLN A 96 -34.784 -27.167 3.521 1.00 0.00 H new ATOM 0 HA GLN A 96 -34.863 -25.486 5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -33.032 -26.098 3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -33.226 -24.362 3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -31.964 -24.283 5.698 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -32.897 -25.546 6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -32.481 -27.722 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -30.772 -28.168 4.823 1.00 0.00 H new ATOM 1441 N LEU A 97 -36.274 -24.564 3.133 1.00 0.00 N ATOM 1442 CA LEU A 97 -37.105 -23.516 2.569 1.00 0.00 C ATOM 1443 C LEU A 97 -38.460 -23.518 3.256 1.00 0.00 C ATOM 1444 O LEU A 97 -38.912 -22.496 3.771 1.00 0.00 O ATOM 1445 CB LEU A 97 -37.275 -23.658 1.051 1.00 0.00 C ATOM 1446 CG LEU A 97 -36.368 -24.661 0.340 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -34.929 -24.541 0.812 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -36.884 -26.065 0.539 1.00 0.00 C ATOM 0 H LEU A 97 -36.243 -25.430 2.595 1.00 0.00 H new ATOM 0 HA LEU A 97 -36.603 -22.564 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -38.310 -23.937 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -37.116 -22.679 0.600 1.00 0.00 H new ATOM 0 HG LEU A 97 -36.382 -24.432 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -34.312 -25.269 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -34.561 -23.536 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -34.881 -24.732 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -36.228 -26.770 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -36.906 -26.297 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -37.891 -26.144 0.130 1.00 0.00 H new ATOM 1460 N LYS A 98 -39.095 -24.681 3.270 1.00 0.00 N ATOM 1461 CA LYS A 98 -40.394 -24.832 3.908 1.00 0.00 C ATOM 1462 C LYS A 98 -40.331 -24.442 5.384 1.00 0.00 C ATOM 1463 O LYS A 98 -41.322 -23.980 5.950 1.00 0.00 O ATOM 1464 CB LYS A 98 -40.886 -26.273 3.775 1.00 0.00 C ATOM 1465 CG LYS A 98 -39.926 -27.305 4.343 1.00 0.00 C ATOM 1466 CD LYS A 98 -40.349 -28.718 3.969 1.00 0.00 C ATOM 1467 CE LYS A 98 -40.518 -28.873 2.464 1.00 0.00 C ATOM 1468 NZ LYS A 98 -39.901 -30.131 1.964 1.00 0.00 N ATOM 0 H LYS A 98 -38.731 -25.534 2.846 1.00 0.00 H new ATOM 0 HA LYS A 98 -41.094 -24.165 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -41.847 -26.367 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -41.058 -26.492 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -38.920 -27.113 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -39.887 -27.210 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -39.604 -29.428 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -41.287 -28.962 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -41.579 -28.865 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -40.065 -28.020 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -39.746 -30.058 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -38.990 -30.284 2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -40.535 -30.931 2.162 1.00 0.00 H new ATOM 1482 N ALA A 99 -39.167 -24.628 6.009 1.00 0.00 N ATOM 1483 CA ALA A 99 -39.008 -24.289 7.420 1.00 0.00 C ATOM 1484 C ALA A 99 -38.672 -22.821 7.604 1.00 0.00 C ATOM 1485 O ALA A 99 -38.955 -22.230 8.647 1.00 0.00 O ATOM 1486 CB ALA A 99 -37.945 -25.166 8.063 1.00 0.00 C ATOM 0 H ALA A 99 -38.331 -25.007 5.565 1.00 0.00 H new ATOM 0 HA ALA A 99 -39.961 -24.475 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -37.840 -24.899 9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -38.239 -26.213 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -36.993 -25.016 7.554 1.00 0.00 H new ATOM 1492 N GLN A 100 -38.081 -22.241 6.582 1.00 0.00 N ATOM 1493 CA GLN A 100 -37.710 -20.834 6.612 1.00 0.00 C ATOM 1494 C GLN A 100 -38.876 -19.966 6.156 1.00 0.00 C ATOM 1495 O GLN A 100 -39.049 -18.844 6.629 1.00 0.00 O ATOM 1496 CB GLN A 100 -36.485 -20.582 5.730 1.00 0.00 C ATOM 1497 CG GLN A 100 -35.165 -20.817 6.444 1.00 0.00 C ATOM 1498 CD GLN A 100 -34.004 -20.107 5.774 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -33.628 -19.002 6.166 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -33.431 -20.738 4.756 1.00 0.00 N ATOM 0 H GLN A 100 -37.844 -22.721 5.714 1.00 0.00 H new ATOM 0 HA GLN A 100 -37.458 -20.568 7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -36.537 -21.231 4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -36.514 -19.555 5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -35.248 -20.475 7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -34.960 -21.887 6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -33.775 -21.653 4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -32.647 -20.308 4.266 1.00 0.00 H new ATOM 1509 N LEU A 101 -39.675 -20.497 5.235 1.00 0.00 N ATOM 1510 CA LEU A 101 -40.827 -19.772 4.719 1.00 0.00 C ATOM 1511 C LEU A 101 -41.802 -19.470 5.844 1.00 0.00 C ATOM 1512 O LEU A 101 -42.256 -18.337 6.005 1.00 0.00 O ATOM 1513 CB LEU A 101 -41.539 -20.589 3.637 1.00 0.00 C ATOM 1514 CG LEU A 101 -41.045 -20.367 2.203 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -41.976 -21.046 1.210 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -40.923 -18.882 1.892 1.00 0.00 C ATOM 0 H LEU A 101 -39.545 -21.425 4.833 1.00 0.00 H new ATOM 0 HA LEU A 101 -40.473 -18.838 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -41.434 -21.647 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -42.604 -20.358 3.675 1.00 0.00 H new ATOM 0 HG LEU A 101 -40.054 -20.813 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -41.611 -20.879 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -42.006 -22.117 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -42.979 -20.630 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -40.571 -18.752 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -41.897 -18.406 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -40.214 -18.423 2.581 1.00 0.00 H new ATOM 1528 N THR A 102 -42.114 -20.497 6.624 1.00 0.00 N ATOM 1529 CA THR A 102 -43.030 -20.349 7.742 1.00 0.00 C ATOM 1530 C THR A 102 -42.417 -19.451 8.798 1.00 0.00 C ATOM 1531 O THR A 102 -43.103 -18.637 9.415 1.00 0.00 O ATOM 1532 CB THR A 102 -43.372 -21.711 8.342 1.00 0.00 C ATOM 1533 OG1 THR A 102 -42.438 -22.696 7.931 1.00 0.00 O ATOM 1534 CG2 THR A 102 -44.751 -22.189 7.957 1.00 0.00 C ATOM 0 H THR A 102 -41.745 -21.440 6.501 1.00 0.00 H new ATOM 0 HA THR A 102 -43.951 -19.893 7.378 1.00 0.00 H new ATOM 0 HB THR A 102 -43.336 -21.574 9.423 1.00 0.00 H new ATOM 0 HG1 THR A 102 -42.596 -22.924 6.991 1.00 0.00 H new ATOM 0 HG21 THR A 102 -44.939 -23.162 8.412 1.00 0.00 H new ATOM 0 HG22 THR A 102 -45.495 -21.474 8.308 1.00 0.00 H new ATOM 0 HG23 THR A 102 -44.816 -22.277 6.873 1.00 0.00 H new ATOM 1542 N GLU A 103 -41.114 -19.597 8.993 1.00 0.00 N ATOM 1543 CA GLU A 103 -40.406 -18.787 9.968 1.00 0.00 C ATOM 1544 C GLU A 103 -40.194 -17.368 9.448 1.00 0.00 C ATOM 1545 O GLU A 103 -39.734 -16.490 10.179 1.00 0.00 O ATOM 1546 CB GLU A 103 -39.064 -19.426 10.328 1.00 0.00 C ATOM 1547 CG GLU A 103 -38.540 -19.010 11.694 1.00 0.00 C ATOM 1548 CD GLU A 103 -37.121 -19.482 11.941 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -36.388 -19.704 10.954 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -36.742 -19.630 13.122 1.00 0.00 O ATOM 0 H GLU A 103 -40.530 -20.266 8.491 1.00 0.00 H new ATOM 0 HA GLU A 103 -41.019 -18.734 10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -39.169 -20.511 10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -38.329 -19.159 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -38.578 -17.924 11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -39.193 -19.413 12.468 1.00 0.00 H new ATOM 1557 N ARG A 104 -40.543 -17.150 8.186 1.00 0.00 N ATOM 1558 CA ARG A 104 -40.402 -15.836 7.565 1.00 0.00 C ATOM 1559 C ARG A 104 -41.769 -15.239 7.229 1.00 0.00 C ATOM 1560 O ARG A 104 -41.861 -14.264 6.484 1.00 0.00 O ATOM 1561 CB ARG A 104 -39.555 -15.937 6.297 1.00 0.00 C ATOM 1562 CG ARG A 104 -38.061 -15.818 6.551 1.00 0.00 C ATOM 1563 CD ARG A 104 -37.269 -15.891 5.256 1.00 0.00 C ATOM 1564 NE ARG A 104 -35.848 -16.138 5.495 1.00 0.00 N ATOM 1565 CZ ARG A 104 -34.979 -15.190 5.839 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -35.379 -13.934 5.988 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -33.705 -15.500 6.036 1.00 0.00 N ATOM 0 H ARG A 104 -40.927 -17.867 7.570 1.00 0.00 H new ATOM 0 HA ARG A 104 -39.904 -15.179 8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -39.757 -16.891 5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -39.860 -15.154 5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -37.850 -14.875 7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -37.740 -16.616 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -37.674 -16.684 4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -37.387 -14.957 4.706 1.00 0.00 H new ATOM 0 HE ARG A 104 -35.502 -17.092 5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -36.358 -13.689 5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -34.708 -13.213 6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -33.392 -16.464 5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -33.038 -14.774 6.300 1.00 0.00 H new ATOM 1581 N GLY A 105 -42.828 -15.827 7.783 1.00 0.00 N ATOM 1582 CA GLY A 105 -44.169 -15.335 7.528 1.00 0.00 C ATOM 1583 C GLY A 105 -44.525 -15.340 6.054 1.00 0.00 C ATOM 1584 O GLY A 105 -44.806 -14.292 5.473 1.00 0.00 O ATOM 0 H GLY A 105 -42.779 -16.635 8.404 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -44.886 -15.949 8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -44.259 -14.320 7.916 1.00 0.00 H new ATOM 1588 N ILE A 106 -44.511 -16.522 5.446 1.00 0.00 N ATOM 1589 CA ILE A 106 -44.835 -16.655 4.030 1.00 0.00 C ATOM 1590 C ILE A 106 -45.576 -17.961 3.754 1.00 0.00 C ATOM 1591 O ILE A 106 -44.956 -19.013 3.590 1.00 0.00 O ATOM 1592 CB ILE A 106 -43.566 -16.607 3.159 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -42.693 -15.415 3.552 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -43.937 -16.537 1.685 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -41.361 -15.377 2.834 1.00 0.00 C ATOM 0 H ILE A 106 -44.279 -17.400 5.911 1.00 0.00 H new ATOM 0 HA ILE A 106 -45.479 -15.814 3.773 1.00 0.00 H new ATOM 0 HB ILE A 106 -42.995 -17.520 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -43.236 -14.493 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -42.516 -15.444 4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -43.029 -16.504 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -44.520 -17.417 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -44.528 -15.640 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -40.795 -14.505 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -40.798 -16.282 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -41.529 -15.317 1.759 1.00 0.00 H new ATOM 1607 N THR A 107 -46.905 -17.892 3.703 1.00 0.00 N ATOM 1608 CA THR A 107 -47.724 -19.073 3.446 1.00 0.00 C ATOM 1609 C THR A 107 -47.266 -19.795 2.181 1.00 0.00 C ATOM 1610 O THR A 107 -46.758 -19.172 1.249 1.00 0.00 O ATOM 1611 CB THR A 107 -49.197 -18.680 3.316 1.00 0.00 C ATOM 1612 OG1 THR A 107 -49.344 -17.551 2.470 1.00 0.00 O ATOM 1613 CG2 THR A 107 -49.848 -18.349 4.642 1.00 0.00 C ATOM 0 H THR A 107 -47.436 -17.031 3.836 1.00 0.00 H new ATOM 0 HA THR A 107 -47.607 -19.752 4.291 1.00 0.00 H new ATOM 0 HB THR A 107 -49.692 -19.555 2.895 1.00 0.00 H new ATOM 0 HG1 THR A 107 -50.293 -17.317 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 107 -50.891 -18.079 4.478 1.00 0.00 H new ATOM 0 HG22 THR A 107 -49.797 -19.217 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 107 -49.325 -17.512 5.105 1.00 0.00 H new ATOM 1621 N PHE A 108 -47.448 -21.111 2.157 1.00 0.00 N ATOM 1622 CA PHE A 108 -47.053 -21.915 1.005 1.00 0.00 C ATOM 1623 C PHE A 108 -48.000 -21.683 -0.168 1.00 0.00 C ATOM 1624 O PHE A 108 -47.565 -21.404 -1.285 1.00 0.00 O ATOM 1625 CB PHE A 108 -47.031 -23.401 1.374 1.00 0.00 C ATOM 1626 CG PHE A 108 -45.885 -23.787 2.267 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -45.766 -23.246 3.537 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -44.930 -24.695 1.839 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -44.717 -23.602 4.362 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -43.878 -25.055 2.659 1.00 0.00 C ATOM 1631 CZ PHE A 108 -43.772 -24.508 3.922 1.00 0.00 C ATOM 0 H PHE A 108 -47.866 -21.643 2.920 1.00 0.00 H new ATOM 0 HA PHE A 108 -46.050 -21.609 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -47.968 -23.657 1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -46.982 -23.992 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -46.502 -22.537 3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -45.009 -25.127 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -44.636 -23.173 5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -43.140 -25.763 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 108 -42.951 -24.788 4.565 1.00 0.00 H new ATOM 1641 N LYS A 109 -49.298 -21.799 0.094 1.00 0.00 N ATOM 1642 CA LYS A 109 -50.309 -21.600 -0.938 1.00 0.00 C ATOM 1643 C LYS A 109 -50.142 -22.611 -2.069 1.00 0.00 C ATOM 1644 O LYS A 109 -49.076 -23.204 -2.233 1.00 0.00 O ATOM 1645 CB LYS A 109 -50.224 -20.178 -1.495 1.00 0.00 C ATOM 1646 CG LYS A 109 -51.549 -19.654 -2.027 1.00 0.00 C ATOM 1647 CD LYS A 109 -51.809 -18.224 -1.574 1.00 0.00 C ATOM 1648 CE LYS A 109 -52.233 -17.336 -2.734 1.00 0.00 C ATOM 1649 NZ LYS A 109 -53.691 -17.039 -2.704 1.00 0.00 N ATOM 0 H LYS A 109 -49.675 -22.030 1.013 1.00 0.00 H new ATOM 0 HA LYS A 109 -51.289 -21.749 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -49.867 -19.510 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -49.485 -20.154 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -51.547 -19.696 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -52.359 -20.298 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -52.586 -18.220 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -50.908 -17.818 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -51.672 -16.402 -2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -51.982 -17.825 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -53.938 -16.432 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -54.228 -17.928 -2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -53.927 -16.550 -1.817 1.00 0.00 H new ATOM 1663 N GLN A 110 -51.204 -22.802 -2.846 1.00 0.00 N ATOM 1664 CA GLN A 110 -51.176 -23.739 -3.961 1.00 0.00 C ATOM 1665 C GLN A 110 -50.249 -23.243 -5.066 1.00 0.00 C ATOM 1666 O GLN A 110 -50.702 -22.744 -6.095 1.00 0.00 O ATOM 1667 CB GLN A 110 -52.586 -23.949 -4.517 1.00 0.00 C ATOM 1668 CG GLN A 110 -52.815 -25.339 -5.088 1.00 0.00 C ATOM 1669 CD GLN A 110 -54.280 -25.729 -5.107 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -55.130 -25.020 -4.570 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -54.581 -26.863 -5.729 1.00 0.00 N ATOM 0 H GLN A 110 -52.094 -22.320 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 110 -50.795 -24.691 -3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -53.311 -23.767 -3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -52.774 -23.210 -5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -52.419 -25.380 -6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -52.257 -26.066 -4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -53.843 -27.419 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -55.550 -27.178 -5.775 1.00 0.00 H new ATOM 1680 N SER A 111 -48.947 -23.383 -4.841 1.00 0.00 N ATOM 1681 CA SER A 111 -47.949 -22.949 -5.813 1.00 0.00 C ATOM 1682 C SER A 111 -46.542 -23.265 -5.317 1.00 0.00 C ATOM 1683 O SER A 111 -45.678 -23.679 -6.090 1.00 0.00 O ATOM 1684 CB SER A 111 -48.082 -21.450 -6.080 1.00 0.00 C ATOM 1685 OG SER A 111 -48.575 -20.769 -4.939 1.00 0.00 O ATOM 0 H SER A 111 -48.557 -23.794 -3.993 1.00 0.00 H new ATOM 0 HA SER A 111 -48.122 -23.491 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 111 -47.112 -21.040 -6.361 1.00 0.00 H new ATOM 0 HB3 SER A 111 -48.753 -21.286 -6.923 1.00 0.00 H new ATOM 0 HG SER A 111 -48.649 -19.812 -5.136 1.00 0.00 H new ATOM 1691 N ALA A 112 -46.322 -23.069 -4.022 1.00 0.00 N ATOM 1692 CA ALA A 112 -45.023 -23.333 -3.417 1.00 0.00 C ATOM 1693 C ALA A 112 -44.865 -24.814 -3.085 1.00 0.00 C ATOM 1694 O ALA A 112 -44.664 -25.183 -1.928 1.00 0.00 O ATOM 1695 CB ALA A 112 -44.843 -22.482 -2.170 1.00 0.00 C ATOM 0 H ALA A 112 -47.028 -22.727 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 112 -44.249 -23.067 -4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -43.869 -22.688 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -44.904 -21.427 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -45.627 -22.720 -1.451 1.00 0.00 H new ATOM 1701 N THR A 113 -44.962 -25.658 -4.107 1.00 0.00 N ATOM 1702 CA THR A 113 -44.834 -27.099 -3.923 1.00 0.00 C ATOM 1703 C THR A 113 -43.450 -27.468 -3.399 1.00 0.00 C ATOM 1704 O THR A 113 -43.300 -27.847 -2.238 1.00 0.00 O ATOM 1705 CB THR A 113 -45.112 -27.832 -5.235 1.00 0.00 C ATOM 1706 OG1 THR A 113 -45.939 -27.053 -6.081 1.00 0.00 O ATOM 1707 CG2 THR A 113 -45.790 -29.170 -5.035 1.00 0.00 C ATOM 0 H THR A 113 -45.129 -25.369 -5.071 1.00 0.00 H new ATOM 0 HA THR A 113 -45.571 -27.407 -3.182 1.00 0.00 H new ATOM 0 HB THR A 113 -44.134 -27.999 -5.687 1.00 0.00 H new ATOM 0 HG1 THR A 113 -46.103 -27.539 -6.916 1.00 0.00 H new ATOM 0 HG21 THR A 113 -45.960 -29.640 -6.004 1.00 0.00 H new ATOM 0 HG22 THR A 113 -45.154 -29.813 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 113 -46.745 -29.022 -4.531 1.00 0.00 H new ATOM 1715 N LYS A 114 -42.439 -27.357 -4.258 1.00 0.00 N ATOM 1716 CA LYS A 114 -41.073 -27.687 -3.860 1.00 0.00 C ATOM 1717 C LYS A 114 -40.049 -26.923 -4.687 1.00 0.00 C ATOM 1718 O LYS A 114 -39.054 -26.433 -4.156 1.00 0.00 O ATOM 1719 CB LYS A 114 -40.832 -29.194 -3.977 1.00 0.00 C ATOM 1720 CG LYS A 114 -40.226 -29.812 -2.728 1.00 0.00 C ATOM 1721 CD LYS A 114 -41.298 -30.370 -1.805 1.00 0.00 C ATOM 1722 CE LYS A 114 -41.913 -31.641 -2.368 1.00 0.00 C ATOM 1723 NZ LYS A 114 -43.126 -32.053 -1.609 1.00 0.00 N ATOM 0 H LYS A 114 -42.538 -27.045 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 114 -40.951 -27.388 -2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -41.778 -29.689 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -40.171 -29.383 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -39.538 -30.609 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -39.642 -29.061 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -40.865 -30.577 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -42.077 -29.622 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -42.175 -31.485 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -41.177 -32.444 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -43.516 -32.923 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -42.872 -32.226 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -43.839 -31.297 -1.657 1.00 0.00 H new ATOM 1737 N ALA A 115 -40.296 -26.813 -5.981 1.00 0.00 N ATOM 1738 CA ALA A 115 -39.386 -26.088 -6.851 1.00 0.00 C ATOM 1739 C ALA A 115 -39.659 -24.592 -6.768 1.00 0.00 C ATOM 1740 O ALA A 115 -38.792 -23.771 -7.067 1.00 0.00 O ATOM 1741 CB ALA A 115 -39.513 -26.579 -8.285 1.00 0.00 C ATOM 0 H ALA A 115 -41.110 -27.212 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 115 -38.364 -26.272 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -38.824 -26.024 -8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -39.272 -27.641 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -40.534 -26.424 -8.634 1.00 0.00 H new ATOM 1747 N GLU A 116 -40.875 -24.248 -6.355 1.00 0.00 N ATOM 1748 CA GLU A 116 -41.274 -22.855 -6.224 1.00 0.00 C ATOM 1749 C GLU A 116 -40.881 -22.283 -4.865 1.00 0.00 C ATOM 1750 O GLU A 116 -40.489 -21.122 -4.768 1.00 0.00 O ATOM 1751 CB GLU A 116 -42.782 -22.714 -6.429 1.00 0.00 C ATOM 1752 CG GLU A 116 -43.249 -23.099 -7.823 1.00 0.00 C ATOM 1753 CD GLU A 116 -42.640 -22.228 -8.904 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -42.358 -21.044 -8.624 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -42.444 -22.730 -10.031 1.00 0.00 O ATOM 0 H GLU A 116 -41.602 -24.919 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 116 -40.749 -22.289 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -43.299 -23.336 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -43.072 -21.682 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -42.992 -24.141 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -44.335 -23.025 -7.871 1.00 0.00 H new ATOM 1762 N LEU A 117 -41.001 -23.095 -3.815 1.00 0.00 N ATOM 1763 CA LEU A 117 -40.668 -22.635 -2.467 1.00 0.00 C ATOM 1764 C LEU A 117 -39.163 -22.598 -2.251 1.00 0.00 C ATOM 1765 O LEU A 117 -38.671 -21.829 -1.426 1.00 0.00 O ATOM 1766 CB LEU A 117 -41.401 -23.477 -1.399 1.00 0.00 C ATOM 1767 CG LEU A 117 -40.665 -24.670 -0.776 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -41.676 -25.590 -0.114 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -39.859 -25.434 -1.811 1.00 0.00 C ATOM 0 H LEU A 117 -41.322 -24.062 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 117 -41.021 -21.609 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -41.691 -22.807 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -42.321 -23.852 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 117 -39.964 -24.292 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -41.158 -26.440 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -42.211 -25.044 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -42.386 -25.947 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -39.352 -26.271 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -40.526 -25.810 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -39.119 -24.770 -2.259 1.00 0.00 H new ATOM 1781 N ILE A 118 -38.429 -23.394 -3.017 1.00 0.00 N ATOM 1782 CA ILE A 118 -36.980 -23.393 -2.909 1.00 0.00 C ATOM 1783 C ILE A 118 -36.389 -22.271 -3.760 1.00 0.00 C ATOM 1784 O ILE A 118 -35.311 -21.755 -3.465 1.00 0.00 O ATOM 1785 CB ILE A 118 -36.358 -24.759 -3.297 1.00 0.00 C ATOM 1786 CG1 ILE A 118 -34.883 -24.810 -2.880 1.00 0.00 C ATOM 1787 CG2 ILE A 118 -36.510 -25.053 -4.785 1.00 0.00 C ATOM 1788 CD1 ILE A 118 -33.950 -24.062 -3.811 1.00 0.00 C ATOM 0 H ILE A 118 -38.808 -24.039 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 118 -36.732 -23.218 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 118 -36.904 -25.535 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -34.786 -24.396 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -34.567 -25.852 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -36.060 -26.019 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -37.568 -25.075 -5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -36.010 -24.275 -5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -32.927 -24.147 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -34.015 -24.489 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -34.237 -23.011 -3.846 1.00 0.00 H new ATOM 1800 N ALA A 119 -37.116 -21.885 -4.809 1.00 0.00 N ATOM 1801 CA ALA A 119 -36.681 -20.813 -5.693 1.00 0.00 C ATOM 1802 C ALA A 119 -37.128 -19.452 -5.172 1.00 0.00 C ATOM 1803 O ALA A 119 -36.430 -18.452 -5.331 1.00 0.00 O ATOM 1804 CB ALA A 119 -37.205 -21.042 -7.103 1.00 0.00 C ATOM 0 H ALA A 119 -38.011 -22.303 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 119 -35.591 -20.820 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -36.871 -20.232 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -36.825 -21.991 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -38.295 -21.068 -7.087 1.00 0.00 H new ATOM 1810 N LEU A 120 -38.311 -19.424 -4.563 1.00 0.00 N ATOM 1811 CA LEU A 120 -38.879 -18.188 -4.030 1.00 0.00 C ATOM 1812 C LEU A 120 -37.886 -17.440 -3.149 1.00 0.00 C ATOM 1813 O LEU A 120 -37.724 -16.228 -3.277 1.00 0.00 O ATOM 1814 CB LEU A 120 -40.151 -18.487 -3.233 1.00 0.00 C ATOM 1815 CG LEU A 120 -41.056 -17.280 -2.985 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -41.732 -16.848 -4.276 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -42.092 -17.602 -1.918 1.00 0.00 C ATOM 0 H LEU A 120 -38.897 -20.247 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 120 -39.122 -17.550 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -40.723 -19.249 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -39.867 -18.913 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 120 -40.441 -16.454 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -42.372 -15.988 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -40.974 -16.577 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -42.335 -17.669 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -42.728 -16.732 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -42.704 -18.442 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -41.587 -17.863 -0.988 1.00 0.00 H new ATOM 1829 N PHE A 121 -37.232 -18.163 -2.245 1.00 0.00 N ATOM 1830 CA PHE A 121 -36.268 -17.547 -1.336 1.00 0.00 C ATOM 1831 C PHE A 121 -35.291 -16.633 -2.074 1.00 0.00 C ATOM 1832 O PHE A 121 -35.343 -15.413 -1.925 1.00 0.00 O ATOM 1833 CB PHE A 121 -35.502 -18.618 -0.565 1.00 0.00 C ATOM 1834 CG PHE A 121 -36.213 -19.070 0.676 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -36.090 -18.361 1.861 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -37.006 -20.202 0.658 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -36.743 -18.778 3.003 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -37.661 -20.621 1.795 1.00 0.00 C ATOM 1839 CZ PHE A 121 -37.530 -19.909 2.968 1.00 0.00 C ATOM 0 H PHE A 121 -37.350 -19.169 -2.122 1.00 0.00 H new ATOM 0 HA PHE A 121 -36.832 -16.932 -0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -35.336 -19.477 -1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -34.520 -18.230 -0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -35.476 -17.473 1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -37.113 -20.764 -0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -36.638 -18.220 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -38.277 -21.507 1.767 1.00 0.00 H new ATOM 0 HZ PHE A 121 -38.044 -20.237 3.859 1.00 0.00 H new