USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 862 hydrogens (18 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 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 66:sc= 0.225 USER MOD Single : A 37 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.099) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 67:sc= 0.224 USER MOD Single : B 37 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.1) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot 180:sc= 0 USER MOD Single : C 31 SER OG : rot 68:sc= 0.219 USER MOD Single : C 37 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.098) USER MOD Single : D 22 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 66:sc= 0.224 USER MOD Single : D 37 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.579 10.407 18.974 1.00 99.99 N ATOM 2 CA SER A 22 1.252 10.116 17.676 1.00 99.99 C ATOM 3 C SER A 22 1.593 8.656 17.532 1.00 99.99 C ATOM 4 O SER A 22 1.434 7.866 18.463 1.00 99.99 O ATOM 5 CB SER A 22 2.519 11.010 17.481 1.00 99.99 C ATOM 6 OG SER A 22 3.529 10.774 18.459 1.00 99.99 O ATOM 0 HA SER A 22 0.541 10.361 16.887 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.934 10.830 16.489 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.225 12.059 17.518 1.00 99.99 H new ATOM 0 HG SER A 22 4.296 11.359 18.285 1.00 99.99 H new ATOM 11 N SER A 23 2.084 8.276 16.328 1.00 99.99 N ATOM 12 CA SER A 23 2.564 6.946 16.037 1.00 99.99 C ATOM 13 C SER A 23 3.987 7.119 15.571 1.00 99.99 C ATOM 14 O SER A 23 4.582 8.179 15.763 1.00 99.99 O ATOM 15 CB SER A 23 1.711 6.224 14.965 1.00 99.99 C ATOM 16 OG SER A 23 0.381 6.043 15.435 1.00 99.99 O ATOM 0 H SER A 23 2.149 8.912 15.533 1.00 99.99 H new ATOM 0 HA SER A 23 2.497 6.315 16.923 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.703 6.806 14.044 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.155 5.257 14.727 1.00 99.99 H new ATOM 0 HG SER A 23 -0.149 5.587 14.748 1.00 99.99 H new ATOM 22 N ASP A 24 4.584 6.058 14.968 1.00 99.99 N ATOM 23 CA ASP A 24 5.987 6.022 14.598 1.00 99.99 C ATOM 24 C ASP A 24 6.136 6.613 13.213 1.00 99.99 C ATOM 25 O ASP A 24 5.190 6.517 12.439 1.00 99.99 O ATOM 26 CB ASP A 24 6.548 4.572 14.574 1.00 99.99 C ATOM 27 CG ASP A 24 6.485 3.920 15.959 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.405 4.655 16.981 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.526 2.662 16.010 1.00 99.99 O ATOM 0 H ASP A 24 4.081 5.203 14.731 1.00 99.99 H new ATOM 0 HA ASP A 24 6.545 6.591 15.342 1.00 99.99 H new ATOM 0 HB2 ASP A 24 5.979 3.973 13.863 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.580 4.586 14.225 1.00 99.99 H new ATOM 34 N PRO A 25 7.248 7.246 12.832 1.00 99.99 N ATOM 35 CA PRO A 25 7.296 8.118 11.668 1.00 99.99 C ATOM 36 C PRO A 25 7.301 7.356 10.361 1.00 99.99 C ATOM 37 O PRO A 25 6.884 7.942 9.373 1.00 99.99 O ATOM 38 CB PRO A 25 8.596 8.922 11.837 1.00 99.99 C ATOM 39 CG PRO A 25 9.467 8.049 12.743 1.00 99.99 C ATOM 40 CD PRO A 25 8.438 7.400 13.666 1.00 99.99 C ATOM 0 HA PRO A 25 6.409 8.749 11.618 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.079 9.104 10.877 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.405 9.896 12.287 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.027 7.307 12.174 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.195 8.640 13.299 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.789 6.438 14.039 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.235 8.024 14.536 1.00 99.99 H new ATOM 48 N LEU A 26 7.771 6.088 10.337 1.00 99.99 N ATOM 49 CA LEU A 26 7.749 5.153 9.219 1.00 99.99 C ATOM 50 C LEU A 26 6.321 4.688 8.977 1.00 99.99 C ATOM 51 O LEU A 26 5.915 4.611 7.845 1.00 99.99 O ATOM 52 CB LEU A 26 8.577 3.887 9.482 1.00 99.99 C ATOM 53 CG LEU A 26 8.433 2.748 8.447 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.941 3.143 7.058 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.149 1.484 8.946 1.00 99.99 C ATOM 0 H LEU A 26 8.204 5.675 11.163 1.00 99.99 H new ATOM 0 HA LEU A 26 8.169 5.687 8.367 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.628 4.170 9.535 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.303 3.496 10.462 1.00 99.99 H new ATOM 0 HG LEU A 26 7.368 2.542 8.343 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.815 2.305 6.373 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.373 3.999 6.693 1.00 99.99 H new ATOM 0 HD13 LEU A 26 9.997 3.407 7.118 1.00 99.99 H new ATOM 0 HD21 LEU A 26 9.040 0.689 8.208 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.207 1.700 9.094 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.708 1.165 9.891 1.00 99.99 H new ATOM 67 N VAL A 27 5.641 4.401 10.001 1.00 99.99 N ATOM 68 CA VAL A 27 4.267 3.920 9.915 1.00 99.99 C ATOM 69 C VAL A 27 3.374 5.035 9.392 1.00 99.99 C ATOM 70 O VAL A 27 2.579 4.788 8.520 1.00 99.99 O ATOM 71 CB VAL A 27 3.692 3.509 11.278 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.205 3.125 11.150 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.487 2.305 11.831 1.00 99.99 C ATOM 0 H VAL A 27 5.995 4.482 10.954 1.00 99.99 H new ATOM 0 HA VAL A 27 4.288 3.052 9.257 1.00 99.99 H new ATOM 0 HB VAL A 27 3.776 4.355 11.960 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.818 2.837 12.128 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.640 3.978 10.773 1.00 99.99 H new ATOM 0 HG13 VAL A 27 2.103 2.288 10.459 1.00 99.99 H new ATOM 0 HG21 VAL A 27 4.079 2.013 12.799 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.409 1.468 11.137 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.534 2.583 11.948 1.00 99.99 H new ATOM 83 N VAL A 28 3.521 6.172 9.920 1.00 99.99 N ATOM 84 CA VAL A 28 2.715 7.324 9.534 1.00 99.99 C ATOM 85 C VAL A 28 3.078 7.739 8.117 1.00 99.99 C ATOM 86 O VAL A 28 2.196 8.021 7.345 1.00 99.99 O ATOM 87 CB VAL A 28 2.962 8.550 10.422 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.228 9.793 9.877 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.500 8.250 11.862 1.00 99.99 C ATOM 0 H VAL A 28 4.207 6.370 10.649 1.00 99.99 H new ATOM 0 HA VAL A 28 1.674 7.016 9.630 1.00 99.99 H new ATOM 0 HB VAL A 28 4.031 8.765 10.420 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.423 10.645 10.528 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.586 10.015 8.872 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.156 9.598 9.846 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.677 9.123 12.490 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.436 8.013 11.861 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.060 7.401 12.254 1.00 99.99 H new ATOM 99 N ALA A 29 4.307 7.769 7.835 1.00 99.99 N ATOM 100 CA ALA A 29 4.798 8.176 6.522 1.00 99.99 C ATOM 101 C ALA A 29 4.264 7.217 5.468 1.00 99.99 C ATOM 102 O ALA A 29 3.857 7.665 4.424 1.00 99.99 O ATOM 103 CB ALA A 29 6.328 8.126 6.415 1.00 99.99 C ATOM 0 H ALA A 29 5.043 7.515 8.494 1.00 99.99 H new ATOM 0 HA ALA A 29 4.461 9.202 6.373 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.633 8.439 5.417 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.767 8.795 7.155 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.672 7.108 6.597 1.00 99.99 H new ATOM 109 N ALA A 30 4.288 5.988 5.755 1.00 99.99 N ATOM 110 CA ALA A 30 3.831 4.961 4.828 1.00 99.99 C ATOM 111 C ALA A 30 2.353 5.165 4.536 1.00 99.99 C ATOM 112 O ALA A 30 1.939 4.936 3.426 1.00 99.99 O ATOM 113 CB ALA A 30 3.965 3.542 5.398 1.00 99.99 C ATOM 0 H ALA A 30 4.625 5.624 6.646 1.00 99.99 H new ATOM 0 HA ALA A 30 4.454 5.054 3.938 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.609 2.820 4.663 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.011 3.340 5.629 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.370 3.457 6.307 1.00 99.99 H new ATOM 119 N SER A 31 1.639 5.570 5.493 1.00 99.99 N ATOM 120 CA SER A 31 0.203 5.785 5.360 1.00 99.99 C ATOM 121 C SER A 31 -0.049 6.876 4.330 1.00 99.99 C ATOM 122 O SER A 31 -0.891 6.702 3.486 1.00 99.99 O ATOM 123 CB SER A 31 -0.454 6.259 6.663 1.00 99.99 C ATOM 124 OG SER A 31 -0.389 5.243 7.662 1.00 99.99 O ATOM 0 H SER A 31 2.006 5.776 6.422 1.00 99.99 H new ATOM 0 HA SER A 31 -0.224 4.825 5.072 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.045 7.159 7.021 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.494 6.525 6.475 1.00 99.99 H new ATOM 0 HG SER A 31 0.546 5.092 7.915 1.00 99.99 H new ATOM 130 N ILE A 32 0.651 7.922 4.432 1.00 99.99 N ATOM 131 CA ILE A 32 0.498 9.056 3.530 1.00 99.99 C ATOM 132 C ILE A 32 0.877 8.634 2.118 1.00 99.99 C ATOM 133 O ILE A 32 0.249 9.067 1.188 1.00 99.99 O ATOM 134 CB ILE A 32 1.412 10.234 3.891 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.004 10.826 5.258 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.356 11.328 2.804 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.069 11.758 5.851 1.00 99.99 C ATOM 0 H ILE A 32 1.369 8.052 5.145 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.542 9.371 3.611 1.00 99.99 H new ATOM 0 HB ILE A 32 2.435 9.864 3.953 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.070 11.376 5.145 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.812 10.012 5.957 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.012 12.152 3.083 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.682 10.911 1.851 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.334 11.694 2.709 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.723 12.141 6.811 1.00 99.99 H new ATOM 0 HD12 ILE A 32 2.997 11.205 5.994 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.244 12.591 5.170 1.00 99.99 H new ATOM 149 N ILE A 33 1.854 7.843 2.012 1.00 99.99 N ATOM 150 CA ILE A 33 2.346 7.377 0.720 1.00 99.99 C ATOM 151 C ILE A 33 1.238 6.616 0.004 1.00 99.99 C ATOM 152 O ILE A 33 1.020 6.855 -1.156 1.00 99.99 O ATOM 153 CB ILE A 33 3.525 6.403 0.843 1.00 99.99 C ATOM 154 CG1 ILE A 33 4.826 7.225 1.023 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.633 5.463 -0.371 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.028 6.421 1.532 1.00 99.99 C ATOM 0 H ILE A 33 2.369 7.473 2.811 1.00 99.99 H new ATOM 0 HA ILE A 33 2.669 8.266 0.179 1.00 99.99 H new ATOM 0 HB ILE A 33 3.362 5.764 1.711 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.088 7.678 0.067 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.631 8.040 1.719 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.482 4.793 -0.238 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.718 4.877 -0.460 1.00 99.99 H new ATOM 0 HG23 ILE A 33 3.775 6.053 -1.276 1.00 99.99 H new ATOM 0 HD11 ILE A 33 6.892 7.079 1.627 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.792 5.990 2.505 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.256 5.622 0.827 1.00 99.99 H new ATOM 168 N GLY A 34 0.605 5.766 0.689 1.00 99.99 N ATOM 169 CA GLY A 34 -0.466 4.950 0.124 1.00 99.99 C ATOM 170 C GLY A 34 -1.624 5.847 -0.279 1.00 99.99 C ATOM 171 O GLY A 34 -2.243 5.589 -1.280 1.00 99.99 O ATOM 0 H GLY A 34 0.790 5.586 1.676 1.00 99.99 H new ATOM 0 HA2 GLY A 34 -0.100 4.399 -0.742 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.800 4.212 0.854 1.00 99.99 H new ATOM 175 N ILE A 35 -1.561 7.115 0.096 1.00 99.99 N ATOM 176 CA ILE A 35 -2.600 8.006 -0.411 1.00 99.99 C ATOM 177 C ILE A 35 -2.085 8.728 -1.647 1.00 99.99 C ATOM 178 O ILE A 35 -2.784 8.780 -2.627 1.00 99.99 O ATOM 179 CB ILE A 35 -2.995 9.095 0.594 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.525 8.455 1.902 1.00 99.99 C ATOM 181 CG2 ILE A 35 -4.067 10.017 -0.027 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.655 9.420 3.084 1.00 99.99 C ATOM 0 H ILE A 35 -0.857 7.532 0.705 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.467 7.378 -0.619 1.00 99.99 H new ATOM 0 HB ILE A 35 -2.114 9.690 0.835 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.501 8.013 1.704 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.858 7.641 2.187 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.344 10.789 0.691 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.667 10.485 -0.927 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.948 9.429 -0.285 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -4.033 8.882 3.953 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.678 9.844 3.316 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.347 10.222 2.825 1.00 99.99 H new ATOM 194 N LEU A 36 -0.936 9.240 -1.563 1.00 99.99 N ATOM 195 CA LEU A 36 -0.331 9.986 -2.662 1.00 99.99 C ATOM 196 C LEU A 36 -0.208 9.077 -3.876 1.00 99.99 C ATOM 197 O LEU A 36 -0.492 9.512 -4.963 1.00 99.99 O ATOM 198 CB LEU A 36 1.088 10.474 -2.342 1.00 99.99 C ATOM 199 CG LEU A 36 1.834 11.155 -3.509 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.118 12.438 -3.952 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.293 11.445 -3.135 1.00 99.99 C ATOM 0 H LEU A 36 -0.348 9.174 -0.732 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.975 10.847 -2.840 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.033 11.176 -1.510 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.679 9.623 -2.003 1.00 99.99 H new ATOM 0 HG LEU A 36 1.832 10.463 -4.351 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.667 12.895 -4.775 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.107 12.196 -4.280 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.071 13.136 -3.116 1.00 99.99 H new ATOM 0 HD21 LEU A 36 3.795 11.925 -3.975 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.322 12.106 -2.269 1.00 99.99 H new ATOM 0 HD23 LEU A 36 3.800 10.510 -2.895 1.00 99.99 H new ATOM 213 N HIS A 37 0.238 7.813 -3.699 1.00 99.99 N ATOM 214 CA HIS A 37 0.457 6.860 -4.760 1.00 99.99 C ATOM 215 C HIS A 37 -0.844 6.539 -5.446 1.00 99.99 C ATOM 216 O HIS A 37 -0.862 6.192 -6.625 1.00 99.99 O ATOM 217 CB HIS A 37 1.081 5.548 -4.227 1.00 99.99 C ATOM 218 CG HIS A 37 1.517 4.589 -5.306 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.777 3.269 -5.054 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.782 4.804 -6.616 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.177 2.699 -6.183 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.188 3.610 -7.147 1.00 99.99 N ATOM 0 H HIS A 37 0.456 7.436 -2.777 1.00 99.99 H new ATOM 0 HA HIS A 37 1.151 7.314 -5.467 1.00 99.99 H new ATOM 0 HB2 HIS A 37 1.942 5.794 -3.606 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.356 5.049 -3.584 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.690 5.742 -7.143 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.450 1.660 -6.299 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.454 3.448 -8.118 1.00 99.99 H new ATOM 230 N LEU A 38 -1.973 6.692 -4.712 1.00 99.99 N ATOM 231 CA LEU A 38 -3.308 6.450 -5.246 1.00 99.99 C ATOM 232 C LEU A 38 -3.671 7.563 -6.217 1.00 99.99 C ATOM 233 O LEU A 38 -4.191 7.280 -7.267 1.00 99.99 O ATOM 234 CB LEU A 38 -4.396 6.448 -4.163 1.00 99.99 C ATOM 235 CG LEU A 38 -5.821 6.217 -4.722 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.932 4.877 -5.462 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.890 6.314 -3.632 1.00 99.99 C ATOM 0 H LEU A 38 -1.969 6.987 -3.736 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.273 5.469 -5.720 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -4.170 5.671 -3.433 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.372 7.400 -3.633 1.00 99.99 H new ATOM 0 HG LEU A 38 -6.002 7.018 -5.439 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.947 4.753 -5.839 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.231 4.863 -6.296 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.697 4.062 -4.777 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.873 6.145 -4.071 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.700 5.561 -2.868 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.860 7.305 -3.180 1.00 99.99 H new ATOM 249 N ILE A 39 -3.404 8.739 -5.852 1.00 99.99 N ATOM 250 CA ILE A 39 -3.722 9.904 -6.671 1.00 99.99 C ATOM 251 C ILE A 39 -2.884 9.868 -7.940 1.00 99.99 C ATOM 252 O ILE A 39 -3.403 10.146 -8.992 1.00 99.99 O ATOM 253 CB ILE A 39 -3.395 11.232 -5.974 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.335 11.437 -4.766 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.528 12.405 -6.968 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.970 12.646 -3.895 1.00 99.99 C ATOM 0 H ILE A 39 -2.951 8.965 -4.967 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.793 9.857 -6.869 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.366 11.201 -5.616 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.356 11.557 -5.128 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.319 10.539 -4.149 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -3.293 13.341 -6.460 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.836 12.259 -7.798 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.548 12.445 -7.349 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.675 12.724 -3.067 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.961 12.520 -3.502 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -4.014 13.554 -4.496 1.00 99.99 H new ATOM 268 N LEU A 40 -1.672 9.551 -7.809 1.00 99.99 N ATOM 269 CA LEU A 40 -0.749 9.501 -8.936 1.00 99.99 C ATOM 270 C LEU A 40 -1.230 8.460 -9.936 1.00 99.99 C ATOM 271 O LEU A 40 -1.215 8.727 -11.111 1.00 99.99 O ATOM 272 CB LEU A 40 0.671 9.086 -8.530 1.00 99.99 C ATOM 273 CG LEU A 40 1.463 10.132 -7.715 1.00 99.99 C ATOM 274 CD1 LEU A 40 2.817 9.535 -7.282 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.690 11.432 -8.497 1.00 99.99 C ATOM 0 H LEU A 40 -1.247 9.307 -6.914 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.723 10.508 -9.352 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.609 8.167 -7.946 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.235 8.852 -9.433 1.00 99.99 H new ATOM 0 HG LEU A 40 0.868 10.384 -6.837 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.374 10.275 -6.707 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.645 8.652 -6.667 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.391 9.255 -8.166 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.251 12.134 -7.880 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.253 11.217 -9.405 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.728 11.870 -8.762 1.00 99.99 H new ATOM 287 N TRP A 41 -1.619 7.358 -9.461 1.00 99.99 N ATOM 288 CA TRP A 41 -2.080 6.262 -10.304 1.00 99.99 C ATOM 289 C TRP A 41 -3.388 6.660 -10.972 1.00 99.99 C ATOM 290 O TRP A 41 -3.558 6.392 -12.135 1.00 99.99 O ATOM 291 CB TRP A 41 -2.368 4.979 -9.513 1.00 99.99 C ATOM 292 CG TRP A 41 -2.748 3.791 -10.379 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.909 3.006 -11.108 1.00 99.99 C ATOM 294 CD2 TRP A 41 -4.085 3.350 -10.671 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.619 2.048 -11.775 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.959 2.263 -11.557 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.335 3.798 -10.233 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -5.080 1.587 -12.012 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.461 3.121 -10.707 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.343 2.029 -11.584 1.00 99.99 C ATOM 0 H TRP A 41 -1.641 7.151 -8.462 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.281 6.068 -11.020 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.486 4.721 -8.926 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.175 5.173 -8.807 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.836 3.123 -11.153 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.221 1.298 -12.340 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.426 4.634 -9.555 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.985 0.742 -12.678 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.443 3.443 -10.393 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.232 1.525 -11.932 1.00 99.99 H new ATOM 311 N ILE A 42 -4.235 7.249 -10.245 1.00 99.99 N ATOM 312 CA ILE A 42 -5.542 7.662 -10.747 1.00 99.99 C ATOM 313 C ILE A 42 -5.355 8.749 -11.796 1.00 99.99 C ATOM 314 O ILE A 42 -6.021 8.712 -12.801 1.00 99.99 O ATOM 315 CB ILE A 42 -6.437 8.263 -9.658 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.908 7.156 -8.686 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.655 8.980 -10.279 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.734 7.685 -7.503 1.00 99.99 C ATOM 0 H ILE A 42 -4.074 7.479 -9.264 1.00 99.99 H new ATOM 0 HA ILE A 42 -6.015 6.764 -11.145 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.854 8.999 -9.104 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.504 6.429 -9.238 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -6.036 6.627 -8.301 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.275 9.398 -9.486 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.311 9.782 -10.932 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.241 8.267 -10.859 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -8.029 6.853 -6.864 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -7.134 8.390 -6.927 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.625 8.189 -7.878 1.00 99.99 H new ATOM 330 N LEU A 43 -4.504 9.643 -11.539 1.00 99.99 N ATOM 331 CA LEU A 43 -4.245 10.756 -12.443 1.00 99.99 C ATOM 332 C LEU A 43 -3.642 10.225 -13.736 1.00 99.99 C ATOM 333 O LEU A 43 -3.926 10.761 -14.778 1.00 99.99 O ATOM 334 CB LEU A 43 -3.234 11.762 -11.877 1.00 99.99 C ATOM 335 CG LEU A 43 -3.758 12.586 -10.677 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.602 13.360 -10.017 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.874 13.559 -11.090 1.00 99.99 C ATOM 0 H LEU A 43 -3.939 9.656 -10.690 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.202 11.255 -12.596 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.337 11.224 -11.569 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.938 12.447 -12.671 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.182 11.883 -9.959 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.984 13.936 -9.174 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.848 12.657 -9.664 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.154 14.036 -10.745 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.212 14.117 -10.217 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.493 14.253 -11.839 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.710 12.998 -11.508 1.00 99.99 H new ATOM 349 N ASP A 44 -2.858 9.243 -13.632 1.00 99.99 N ATOM 350 CA ASP A 44 -2.191 8.651 -14.783 1.00 99.99 C ATOM 351 C ASP A 44 -3.226 7.983 -15.678 1.00 99.99 C ATOM 352 O ASP A 44 -3.133 8.105 -16.874 1.00 99.99 O ATOM 353 CB ASP A 44 -1.185 7.557 -14.397 1.00 99.99 C ATOM 354 CG ASP A 44 -0.422 7.001 -15.614 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.370 7.763 -16.219 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.575 5.786 -15.938 1.00 99.99 O ATOM 0 H ASP A 44 -2.633 8.793 -12.745 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.663 9.465 -15.280 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.472 7.961 -13.679 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.712 6.743 -13.900 1.00 99.99 H new ATOM 361 N ARG A 45 -4.133 7.325 -15.099 1.00 99.99 N ATOM 362 CA ARG A 45 -5.175 6.616 -15.833 1.00 99.99 C ATOM 363 C ARG A 45 -6.031 7.620 -16.591 1.00 99.99 C ATOM 364 O ARG A 45 -6.343 7.380 -17.729 1.00 99.99 O ATOM 365 CB ARG A 45 -6.130 5.841 -14.915 1.00 99.99 C ATOM 366 CG ARG A 45 -5.453 4.685 -14.150 1.00 99.99 C ATOM 367 CD ARG A 45 -5.175 3.460 -15.031 1.00 99.99 C ATOM 368 NE ARG A 45 -3.773 3.567 -15.573 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.401 2.902 -16.684 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.254 2.098 -17.342 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.134 3.034 -17.110 1.00 99.99 N ATOM 0 H ARG A 45 -4.207 7.239 -14.085 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.661 5.916 -16.492 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.570 6.532 -14.196 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.948 5.439 -15.513 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.514 5.040 -13.725 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.089 4.388 -13.316 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.288 2.544 -14.452 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.894 3.411 -15.849 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.093 4.154 -15.090 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.209 1.980 -17.002 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -3.947 1.606 -18.181 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.482 3.626 -16.595 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.824 2.542 -17.948 1.00 99.99 H new ATOM 385 N LEU A 46 -6.370 8.660 -15.963 1.00 99.99 N ATOM 386 CA LEU A 46 -7.209 9.693 -16.559 1.00 99.99 C ATOM 387 C LEU A 46 -6.445 10.375 -17.684 1.00 99.99 C ATOM 388 O LEU A 46 -5.453 11.063 -17.450 1.00 99.99 O ATOM 389 CB LEU A 46 -7.595 10.797 -15.566 1.00 99.99 C ATOM 390 CG LEU A 46 -8.382 10.373 -14.301 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.446 11.578 -13.343 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.795 9.865 -14.607 1.00 99.99 C ATOM 0 H LEU A 46 -6.087 8.856 -15.003 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.112 9.191 -16.905 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.681 11.295 -15.243 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.190 11.538 -16.100 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.855 9.535 -13.845 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.997 11.300 -12.445 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.435 11.880 -13.070 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.952 12.408 -13.836 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.290 9.585 -13.677 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.366 10.652 -15.100 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.735 8.996 -15.262 1.00 99.99 H new TER 404 LEU A 46 ATOM 405 N SER B 22 -10.407 0.579 18.974 1.00 99.99 N ATOM 406 CA SER B 22 -10.116 1.252 17.676 1.00 99.99 C ATOM 407 C SER B 22 -8.656 1.593 17.532 1.00 99.99 C ATOM 408 O SER B 22 -7.866 1.434 18.463 1.00 99.99 O ATOM 409 CB SER B 22 -11.010 2.519 17.481 1.00 99.99 C ATOM 410 OG SER B 22 -10.774 3.529 18.459 1.00 99.99 O ATOM 0 HA SER B 22 -10.361 0.541 16.887 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.830 2.934 16.489 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.059 2.225 17.518 1.00 99.99 H new ATOM 0 HG SER B 22 -11.359 4.296 18.285 1.00 99.99 H new ATOM 415 N SER B 23 -8.276 2.084 16.328 1.00 99.99 N ATOM 416 CA SER B 23 -6.946 2.564 16.037 1.00 99.99 C ATOM 417 C SER B 23 -7.119 3.987 15.571 1.00 99.99 C ATOM 418 O SER B 23 -8.179 4.582 15.763 1.00 99.99 O ATOM 419 CB SER B 23 -6.224 1.711 14.965 1.00 99.99 C ATOM 420 OG SER B 23 -6.043 0.381 15.435 1.00 99.99 O ATOM 0 H SER B 23 -8.912 2.149 15.533 1.00 99.99 H new ATOM 0 HA SER B 23 -6.315 2.497 16.923 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.806 1.703 14.044 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.257 2.155 14.727 1.00 99.99 H new ATOM 0 HG SER B 23 -5.587 -0.149 14.748 1.00 99.99 H new ATOM 426 N ASP B 24 -6.058 4.584 14.968 1.00 99.99 N ATOM 427 CA ASP B 24 -6.022 5.987 14.598 1.00 99.99 C ATOM 428 C ASP B 24 -6.613 6.136 13.213 1.00 99.99 C ATOM 429 O ASP B 24 -6.517 5.190 12.439 1.00 99.99 O ATOM 430 CB ASP B 24 -4.572 6.548 14.574 1.00 99.99 C ATOM 431 CG ASP B 24 -3.920 6.485 15.959 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.655 6.405 16.981 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.662 6.526 16.010 1.00 99.99 O ATOM 0 H ASP B 24 -5.203 4.081 14.731 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.591 6.545 15.342 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.973 5.979 13.863 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.586 7.580 14.225 1.00 99.99 H new ATOM 438 N PRO B 25 -7.246 7.248 12.832 1.00 99.99 N ATOM 439 CA PRO B 25 -8.118 7.296 11.668 1.00 99.99 C ATOM 440 C PRO B 25 -7.356 7.301 10.361 1.00 99.99 C ATOM 441 O PRO B 25 -7.942 6.884 9.373 1.00 99.99 O ATOM 442 CB PRO B 25 -8.922 8.596 11.837 1.00 99.99 C ATOM 443 CG PRO B 25 -8.049 9.467 12.743 1.00 99.99 C ATOM 444 CD PRO B 25 -7.400 8.438 13.666 1.00 99.99 C ATOM 0 HA PRO B 25 -8.749 6.409 11.618 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.104 9.079 10.877 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.896 8.405 12.287 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.307 10.027 12.174 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.640 10.195 13.299 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.438 8.789 14.039 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.024 8.235 14.536 1.00 99.99 H new ATOM 452 N LEU B 26 -6.088 7.771 10.337 1.00 99.99 N ATOM 453 CA LEU B 26 -5.153 7.749 9.219 1.00 99.99 C ATOM 454 C LEU B 26 -4.688 6.321 8.977 1.00 99.99 C ATOM 455 O LEU B 26 -4.611 5.915 7.845 1.00 99.99 O ATOM 456 CB LEU B 26 -3.887 8.577 9.482 1.00 99.99 C ATOM 457 CG LEU B 26 -2.748 8.433 8.447 1.00 99.99 C ATOM 458 CD1 LEU B 26 -3.143 8.941 7.058 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.484 9.149 8.946 1.00 99.99 C ATOM 0 H LEU B 26 -5.675 8.204 11.163 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.687 8.169 8.367 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -4.170 9.628 9.535 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.496 8.303 10.462 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.542 7.368 8.343 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.305 8.815 6.373 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -3.999 8.373 6.693 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.407 9.997 7.118 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.689 9.040 8.208 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.700 10.207 9.094 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.165 8.708 9.891 1.00 99.99 H new ATOM 471 N VAL B 27 -4.401 5.641 10.001 1.00 99.99 N ATOM 472 CA VAL B 27 -3.920 4.267 9.915 1.00 99.99 C ATOM 473 C VAL B 27 -5.035 3.374 9.392 1.00 99.99 C ATOM 474 O VAL B 27 -4.788 2.579 8.520 1.00 99.99 O ATOM 475 CB VAL B 27 -3.509 3.692 11.278 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.125 2.205 11.150 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.305 4.487 11.831 1.00 99.99 C ATOM 0 H VAL B 27 -4.482 5.995 10.954 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.052 4.288 9.257 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.355 3.776 11.960 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.837 1.818 12.128 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -3.978 1.640 10.773 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.288 2.103 10.459 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -2.013 4.079 12.799 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.468 4.409 11.137 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.583 5.534 11.948 1.00 99.99 H new ATOM 487 N VAL B 28 -6.172 3.521 9.920 1.00 99.99 N ATOM 488 CA VAL B 28 -7.324 2.715 9.534 1.00 99.99 C ATOM 489 C VAL B 28 -7.739 3.078 8.117 1.00 99.99 C ATOM 490 O VAL B 28 -8.021 2.196 7.345 1.00 99.99 O ATOM 491 CB VAL B 28 -8.550 2.962 10.422 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.793 2.228 9.877 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.250 2.500 11.862 1.00 99.99 C ATOM 0 H VAL B 28 -6.370 4.207 10.649 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.016 1.674 9.630 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.765 4.031 10.420 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.645 2.423 10.528 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.015 2.586 8.872 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.598 1.156 9.846 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.123 2.677 12.490 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.013 1.436 11.861 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.401 3.060 12.254 1.00 99.99 H new ATOM 503 N ALA B 29 -7.769 4.307 7.835 1.00 99.99 N ATOM 504 CA ALA B 29 -8.176 4.798 6.522 1.00 99.99 C ATOM 505 C ALA B 29 -7.217 4.264 5.468 1.00 99.99 C ATOM 506 O ALA B 29 -7.665 3.857 4.424 1.00 99.99 O ATOM 507 CB ALA B 29 -8.126 6.328 6.415 1.00 99.99 C ATOM 0 H ALA B 29 -7.515 5.043 8.494 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.202 4.461 6.373 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.439 6.633 5.417 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.795 6.767 7.155 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.108 6.672 6.597 1.00 99.99 H new ATOM 513 N ALA B 30 -5.988 4.288 5.755 1.00 99.99 N ATOM 514 CA ALA B 30 -4.961 3.831 4.828 1.00 99.99 C ATOM 515 C ALA B 30 -5.165 2.353 4.536 1.00 99.99 C ATOM 516 O ALA B 30 -4.936 1.939 3.426 1.00 99.99 O ATOM 517 CB ALA B 30 -3.542 3.965 5.398 1.00 99.99 C ATOM 0 H ALA B 30 -5.624 4.625 6.646 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.054 4.454 3.938 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.820 3.609 4.663 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.340 5.011 5.629 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.457 3.370 6.307 1.00 99.99 H new ATOM 523 N SER B 31 -5.570 1.639 5.493 1.00 99.99 N ATOM 524 CA SER B 31 -5.785 0.203 5.360 1.00 99.99 C ATOM 525 C SER B 31 -6.876 -0.049 4.330 1.00 99.99 C ATOM 526 O SER B 31 -6.702 -0.891 3.486 1.00 99.99 O ATOM 527 CB SER B 31 -6.259 -0.454 6.663 1.00 99.99 C ATOM 528 OG SER B 31 -5.243 -0.389 7.662 1.00 99.99 O ATOM 0 H SER B 31 -5.776 2.006 6.422 1.00 99.99 H new ATOM 0 HA SER B 31 -4.825 -0.224 5.072 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.159 0.045 7.021 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.525 -1.494 6.475 1.00 99.99 H new ATOM 0 HG SER B 31 -5.103 0.544 7.926 1.00 99.99 H new ATOM 534 N ILE B 32 -7.922 0.651 4.432 1.00 99.99 N ATOM 535 CA ILE B 32 -9.056 0.498 3.530 1.00 99.99 C ATOM 536 C ILE B 32 -8.634 0.877 2.118 1.00 99.99 C ATOM 537 O ILE B 32 -9.067 0.249 1.188 1.00 99.99 O ATOM 538 CB ILE B 32 -10.234 1.412 3.891 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.826 1.004 5.258 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.328 1.356 2.804 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.758 2.069 5.851 1.00 99.99 C ATOM 0 H ILE B 32 -8.052 1.369 5.145 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.371 -0.542 3.611 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.864 2.435 3.953 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.376 0.070 5.145 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.012 0.812 5.957 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.152 2.012 3.083 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.911 1.682 1.851 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.694 0.334 2.709 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.141 1.723 6.811 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.205 2.997 5.994 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.591 2.244 5.170 1.00 99.99 H new ATOM 553 N ILE B 33 -7.843 1.854 2.012 1.00 99.99 N ATOM 554 CA ILE B 33 -7.377 2.346 0.720 1.00 99.99 C ATOM 555 C ILE B 33 -6.616 1.238 0.004 1.00 99.99 C ATOM 556 O ILE B 33 -6.855 1.020 -1.156 1.00 99.99 O ATOM 557 CB ILE B 33 -6.403 3.525 0.843 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.225 4.826 1.023 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.463 3.633 -0.371 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.421 6.028 1.532 1.00 99.99 C ATOM 0 H ILE B 33 -7.473 2.369 2.811 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.266 2.669 0.179 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.764 3.362 1.711 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.678 5.088 0.067 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.040 4.631 1.719 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.793 4.482 -0.238 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.877 2.718 -0.460 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.053 3.775 -1.276 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.079 6.892 1.627 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -5.990 5.792 2.505 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.622 6.256 0.827 1.00 99.99 H new ATOM 572 N GLY B 34 -5.766 0.605 0.689 1.00 99.99 N ATOM 573 CA GLY B 34 -4.950 -0.466 0.124 1.00 99.99 C ATOM 574 C GLY B 34 -5.847 -1.624 -0.279 1.00 99.99 C ATOM 575 O GLY B 34 -5.589 -2.243 -1.280 1.00 99.99 O ATOM 0 H GLY B 34 -5.586 0.790 1.676 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.399 -0.100 -0.742 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.212 -0.800 0.854 1.00 99.99 H new ATOM 579 N ILE B 35 -7.115 -1.561 0.096 1.00 99.99 N ATOM 580 CA ILE B 35 -8.006 -2.600 -0.411 1.00 99.99 C ATOM 581 C ILE B 35 -8.728 -2.085 -1.647 1.00 99.99 C ATOM 582 O ILE B 35 -8.780 -2.784 -2.627 1.00 99.99 O ATOM 583 CB ILE B 35 -9.095 -2.995 0.594 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.455 -3.525 1.902 1.00 99.99 C ATOM 585 CG2 ILE B 35 -10.017 -4.067 -0.027 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.420 -3.655 3.084 1.00 99.99 C ATOM 0 H ILE B 35 -7.532 -0.857 0.705 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.378 -3.467 -0.619 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.690 -2.114 0.835 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -8.013 -4.501 1.704 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.641 -2.858 2.187 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.789 -4.344 0.691 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.485 -3.667 -0.927 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.429 -4.948 -0.285 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.882 -4.033 3.953 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.844 -2.678 3.316 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.222 -4.347 2.825 1.00 99.99 H new ATOM 598 N LEU B 36 -9.240 -0.936 -1.563 1.00 99.99 N ATOM 599 CA LEU B 36 -9.986 -0.331 -2.662 1.00 99.99 C ATOM 600 C LEU B 36 -9.077 -0.208 -3.876 1.00 99.99 C ATOM 601 O LEU B 36 -9.512 -0.492 -4.963 1.00 99.99 O ATOM 602 CB LEU B 36 -10.474 1.088 -2.342 1.00 99.99 C ATOM 603 CG LEU B 36 -11.155 1.834 -3.509 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.438 1.118 -3.952 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.445 3.293 -3.135 1.00 99.99 C ATOM 0 H LEU B 36 -9.174 -0.348 -0.732 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.847 -0.975 -2.840 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.176 1.033 -1.510 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.623 1.679 -2.003 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.463 1.832 -4.351 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.895 1.667 -4.775 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.196 0.107 -4.280 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.136 1.071 -3.116 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.925 3.795 -3.975 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.106 3.322 -2.269 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.510 3.800 -2.895 1.00 99.99 H new ATOM 617 N HIS B 37 -7.813 0.238 -3.699 1.00 99.99 N ATOM 618 CA HIS B 37 -6.860 0.457 -4.760 1.00 99.99 C ATOM 619 C HIS B 37 -6.539 -0.844 -5.446 1.00 99.99 C ATOM 620 O HIS B 37 -6.192 -0.862 -6.625 1.00 99.99 O ATOM 621 CB HIS B 37 -5.548 1.081 -4.227 1.00 99.99 C ATOM 622 CG HIS B 37 -4.589 1.517 -5.306 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.269 1.777 -5.054 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.804 1.782 -6.616 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.699 2.177 -6.183 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.610 2.188 -7.147 1.00 99.99 N ATOM 0 H HIS B 37 -7.436 0.456 -2.777 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.314 1.151 -5.467 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.794 1.942 -3.606 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -5.049 0.356 -3.584 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.742 1.690 -7.143 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.660 2.450 -6.299 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.448 2.454 -8.118 1.00 99.99 H new ATOM 634 N LEU B 38 -6.692 -1.973 -4.712 1.00 99.99 N ATOM 635 CA LEU B 38 -6.450 -3.308 -5.246 1.00 99.99 C ATOM 636 C LEU B 38 -7.563 -3.671 -6.217 1.00 99.99 C ATOM 637 O LEU B 38 -7.280 -4.191 -7.267 1.00 99.99 O ATOM 638 CB LEU B 38 -6.448 -4.396 -4.163 1.00 99.99 C ATOM 639 CG LEU B 38 -6.217 -5.821 -4.722 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.877 -5.932 -5.462 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.314 -6.890 -3.632 1.00 99.99 C ATOM 0 H LEU B 38 -6.987 -1.969 -3.736 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.469 -3.273 -5.720 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.671 -4.170 -3.433 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.400 -4.372 -3.633 1.00 99.99 H new ATOM 0 HG LEU B 38 -7.018 -6.002 -5.439 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.753 -6.947 -5.839 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.863 -5.231 -6.296 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -4.062 -5.697 -4.777 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.145 -7.873 -4.071 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.561 -6.700 -2.868 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.305 -6.860 -3.180 1.00 99.99 H new ATOM 653 N ILE B 39 -8.739 -3.404 -5.852 1.00 99.99 N ATOM 654 CA ILE B 39 -9.904 -3.722 -6.671 1.00 99.99 C ATOM 655 C ILE B 39 -9.868 -2.884 -7.940 1.00 99.99 C ATOM 656 O ILE B 39 -10.146 -3.403 -8.992 1.00 99.99 O ATOM 657 CB ILE B 39 -11.232 -3.395 -5.974 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.437 -4.335 -4.766 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.405 -3.528 -6.968 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.646 -3.970 -3.895 1.00 99.99 C ATOM 0 H ILE B 39 -8.965 -2.951 -4.967 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.857 -4.793 -6.869 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.201 -2.366 -5.616 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.557 -5.356 -5.128 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.539 -4.319 -4.149 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.341 -3.293 -6.460 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.259 -2.836 -7.798 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.445 -4.548 -7.349 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.724 -4.675 -3.067 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.520 -2.961 -3.502 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.554 -4.014 -4.496 1.00 99.99 H new ATOM 672 N LEU B 40 -9.551 -1.672 -7.809 1.00 99.99 N ATOM 673 CA LEU B 40 -9.501 -0.749 -8.936 1.00 99.99 C ATOM 674 C LEU B 40 -8.460 -1.230 -9.936 1.00 99.99 C ATOM 675 O LEU B 40 -8.727 -1.215 -11.111 1.00 99.99 O ATOM 676 CB LEU B 40 -9.086 0.671 -8.530 1.00 99.99 C ATOM 677 CG LEU B 40 -10.132 1.463 -7.715 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.535 2.817 -7.282 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.432 1.690 -8.497 1.00 99.99 C ATOM 0 H LEU B 40 -9.307 -1.247 -6.914 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.508 -0.723 -9.352 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.167 0.609 -7.946 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.852 1.235 -9.433 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.384 0.868 -6.837 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.275 3.374 -6.707 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.652 2.645 -6.667 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.255 3.391 -8.166 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.134 2.251 -7.880 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.217 2.253 -9.405 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.870 0.728 -8.762 1.00 99.99 H new ATOM 691 N TRP B 41 -7.358 -1.619 -9.461 1.00 99.99 N ATOM 692 CA TRP B 41 -6.262 -2.080 -10.304 1.00 99.99 C ATOM 693 C TRP B 41 -6.660 -3.388 -10.972 1.00 99.99 C ATOM 694 O TRP B 41 -6.392 -3.558 -12.135 1.00 99.99 O ATOM 695 CB TRP B 41 -4.979 -2.368 -9.513 1.00 99.99 C ATOM 696 CG TRP B 41 -3.791 -2.748 -10.379 1.00 99.99 C ATOM 697 CD1 TRP B 41 -3.006 -1.909 -11.108 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.350 -4.085 -10.671 1.00 99.99 C ATOM 699 NE1 TRP B 41 -2.048 -2.619 -11.775 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.263 -3.959 -11.557 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.798 -5.335 -10.233 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.587 -5.080 -12.012 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.121 -6.461 -10.707 1.00 99.99 C ATOM 704 CH2 TRP B 41 -2.029 -6.343 -11.584 1.00 99.99 C ATOM 0 H TRP B 41 -7.151 -1.641 -8.462 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.068 -1.281 -11.020 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.721 -1.486 -8.926 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.173 -3.175 -8.807 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.123 -0.836 -11.153 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.298 -2.221 -12.340 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.634 -5.426 -9.555 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.742 -4.985 -12.678 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.443 -7.443 -10.393 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.525 -7.232 -11.932 1.00 99.99 H new ATOM 715 N ILE B 42 -7.249 -4.235 -10.245 1.00 99.99 N ATOM 716 CA ILE B 42 -7.662 -5.542 -10.747 1.00 99.99 C ATOM 717 C ILE B 42 -8.749 -5.355 -11.796 1.00 99.99 C ATOM 718 O ILE B 42 -8.712 -6.021 -12.801 1.00 99.99 O ATOM 719 CB ILE B 42 -8.263 -6.437 -9.658 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.156 -6.908 -8.686 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.980 -7.655 -10.279 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.685 -7.734 -7.503 1.00 99.99 C ATOM 0 H ILE B 42 -7.479 -4.074 -9.264 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.764 -6.015 -11.145 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.999 -5.854 -9.104 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.429 -7.504 -9.238 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.627 -6.036 -8.301 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.398 -8.275 -9.486 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.782 -7.311 -10.932 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.267 -8.241 -10.859 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.853 -8.029 -6.864 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.390 -7.134 -6.927 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.189 -8.625 -7.878 1.00 99.99 H new ATOM 734 N LEU B 43 -9.643 -4.504 -11.539 1.00 99.99 N ATOM 735 CA LEU B 43 -10.756 -4.245 -12.443 1.00 99.99 C ATOM 736 C LEU B 43 -10.225 -3.642 -13.736 1.00 99.99 C ATOM 737 O LEU B 43 -10.761 -3.926 -14.778 1.00 99.99 O ATOM 738 CB LEU B 43 -11.762 -3.234 -11.877 1.00 99.99 C ATOM 739 CG LEU B 43 -12.586 -3.758 -10.677 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.360 -2.602 -10.017 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.559 -4.874 -11.090 1.00 99.99 C ATOM 0 H LEU B 43 -9.656 -3.939 -10.690 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.255 -5.202 -12.596 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.224 -2.337 -11.569 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.447 -2.938 -12.671 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.883 -4.182 -9.959 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.936 -2.984 -9.174 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.657 -1.848 -9.664 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -14.036 -2.154 -10.745 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.117 -5.212 -10.217 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.253 -4.493 -11.839 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.998 -5.710 -11.508 1.00 99.99 H new ATOM 753 N ASP B 44 -9.243 -2.858 -13.632 1.00 99.99 N ATOM 754 CA ASP B 44 -8.651 -2.191 -14.783 1.00 99.99 C ATOM 755 C ASP B 44 -7.983 -3.226 -15.678 1.00 99.99 C ATOM 756 O ASP B 44 -8.105 -3.133 -16.874 1.00 99.99 O ATOM 757 CB ASP B 44 -7.557 -1.185 -14.397 1.00 99.99 C ATOM 758 CG ASP B 44 -7.001 -0.422 -15.614 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.763 0.370 -16.219 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.786 -0.575 -15.938 1.00 99.99 O ATOM 0 H ASP B 44 -8.793 -2.633 -12.745 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.465 -1.663 -15.280 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.961 -0.472 -13.679 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.743 -1.712 -13.900 1.00 99.99 H new ATOM 765 N ARG B 45 -7.325 -4.133 -15.099 1.00 99.99 N ATOM 766 CA ARG B 45 -6.616 -5.175 -15.833 1.00 99.99 C ATOM 767 C ARG B 45 -7.620 -6.031 -16.591 1.00 99.99 C ATOM 768 O ARG B 45 -7.380 -6.343 -17.729 1.00 99.99 O ATOM 769 CB ARG B 45 -5.841 -6.130 -14.915 1.00 99.99 C ATOM 770 CG ARG B 45 -4.685 -5.453 -14.150 1.00 99.99 C ATOM 771 CD ARG B 45 -3.460 -5.175 -15.031 1.00 99.99 C ATOM 772 NE ARG B 45 -3.567 -3.773 -15.573 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.902 -3.401 -16.684 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.098 -4.254 -17.342 1.00 99.99 N ATOM 775 NH2 ARG B 45 -3.034 -2.134 -17.110 1.00 99.99 N ATOM 0 H ARG B 45 -7.239 -4.207 -14.085 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.916 -4.661 -16.492 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.532 -6.570 -14.196 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.439 -6.948 -15.513 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.040 -4.514 -13.725 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.388 -6.089 -13.316 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.544 -5.288 -14.452 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.411 -5.894 -15.849 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.154 -3.093 -15.090 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.980 -5.209 -17.002 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.606 -3.947 -18.181 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.626 -1.482 -16.595 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.542 -1.824 -17.948 1.00 99.99 H new ATOM 789 N LEU B 46 -8.660 -6.370 -15.963 1.00 99.99 N ATOM 790 CA LEU B 46 -9.693 -7.209 -16.559 1.00 99.99 C ATOM 791 C LEU B 46 -10.375 -6.445 -17.684 1.00 99.99 C ATOM 792 O LEU B 46 -11.063 -5.453 -17.450 1.00 99.99 O ATOM 793 CB LEU B 46 -10.797 -7.595 -15.566 1.00 99.99 C ATOM 794 CG LEU B 46 -10.373 -8.382 -14.301 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.578 -8.446 -13.343 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.865 -9.795 -14.607 1.00 99.99 C ATOM 0 H LEU B 46 -8.856 -6.087 -15.003 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.191 -8.112 -16.905 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.295 -6.681 -15.243 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.538 -8.190 -16.100 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.535 -7.855 -13.845 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.300 -8.997 -12.445 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.880 -7.435 -13.070 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.408 -8.952 -13.836 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.585 -10.290 -13.677 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.652 -10.366 -15.100 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -8.996 -9.735 -15.262 1.00 99.99 H new TER 808 LEU B 46 ATOM 809 N SER C 22 -0.579 -10.407 18.974 1.00 99.99 N ATOM 810 CA SER C 22 -1.252 -10.116 17.676 1.00 99.99 C ATOM 811 C SER C 22 -1.593 -8.656 17.532 1.00 99.99 C ATOM 812 O SER C 22 -1.434 -7.866 18.463 1.00 99.99 O ATOM 813 CB SER C 22 -2.519 -11.010 17.481 1.00 99.99 C ATOM 814 OG SER C 22 -3.529 -10.774 18.459 1.00 99.99 O ATOM 0 HA SER C 22 -0.541 -10.361 16.887 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.934 -10.830 16.489 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.225 -12.059 17.518 1.00 99.99 H new ATOM 0 HG SER C 22 -4.296 -11.359 18.285 1.00 99.99 H new ATOM 819 N SER C 23 -2.084 -8.276 16.328 1.00 99.99 N ATOM 820 CA SER C 23 -2.564 -6.946 16.037 1.00 99.99 C ATOM 821 C SER C 23 -3.987 -7.119 15.571 1.00 99.99 C ATOM 822 O SER C 23 -4.582 -8.179 15.763 1.00 99.99 O ATOM 823 CB SER C 23 -1.711 -6.224 14.965 1.00 99.99 C ATOM 824 OG SER C 23 -0.381 -6.043 15.435 1.00 99.99 O ATOM 0 H SER C 23 -2.149 -8.912 15.533 1.00 99.99 H new ATOM 0 HA SER C 23 -2.497 -6.315 16.923 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.703 -6.806 14.044 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.155 -5.257 14.727 1.00 99.99 H new ATOM 0 HG SER C 23 0.149 -5.587 14.748 1.00 99.99 H new ATOM 830 N ASP C 24 -4.584 -6.058 14.968 1.00 99.99 N ATOM 831 CA ASP C 24 -5.987 -6.022 14.598 1.00 99.99 C ATOM 832 C ASP C 24 -6.136 -6.613 13.213 1.00 99.99 C ATOM 833 O ASP C 24 -5.190 -6.517 12.439 1.00 99.99 O ATOM 834 CB ASP C 24 -6.548 -4.572 14.574 1.00 99.99 C ATOM 835 CG ASP C 24 -6.485 -3.920 15.959 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.405 -4.655 16.981 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.526 -2.662 16.010 1.00 99.99 O ATOM 0 H ASP C 24 -4.081 -5.203 14.731 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.545 -6.591 15.342 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -5.979 -3.973 13.863 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.580 -4.586 14.225 1.00 99.99 H new ATOM 842 N PRO C 25 -7.248 -7.246 12.832 1.00 99.99 N ATOM 843 CA PRO C 25 -7.296 -8.118 11.668 1.00 99.99 C ATOM 844 C PRO C 25 -7.301 -7.356 10.361 1.00 99.99 C ATOM 845 O PRO C 25 -6.884 -7.942 9.373 1.00 99.99 O ATOM 846 CB PRO C 25 -8.596 -8.922 11.837 1.00 99.99 C ATOM 847 CG PRO C 25 -9.467 -8.049 12.743 1.00 99.99 C ATOM 848 CD PRO C 25 -8.438 -7.400 13.666 1.00 99.99 C ATOM 0 HA PRO C 25 -6.409 -8.749 11.618 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.079 -9.104 10.877 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.405 -9.896 12.287 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.027 -7.307 12.174 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.195 -8.640 13.299 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.789 -6.438 14.039 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.235 -8.024 14.536 1.00 99.99 H new ATOM 856 N LEU C 26 -7.771 -6.088 10.337 1.00 99.99 N ATOM 857 CA LEU C 26 -7.749 -5.153 9.219 1.00 99.99 C ATOM 858 C LEU C 26 -6.321 -4.688 8.977 1.00 99.99 C ATOM 859 O LEU C 26 -5.915 -4.611 7.845 1.00 99.99 O ATOM 860 CB LEU C 26 -8.577 -3.887 9.482 1.00 99.99 C ATOM 861 CG LEU C 26 -8.433 -2.748 8.447 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.941 -3.143 7.058 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.149 -1.484 8.946 1.00 99.99 C ATOM 0 H LEU C 26 -8.204 -5.675 11.163 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.169 -5.687 8.367 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.628 -4.170 9.535 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.303 -3.496 10.462 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.368 -2.542 8.343 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.815 -2.305 6.373 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.373 -3.999 6.693 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -9.997 -3.407 7.118 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -9.040 -0.689 8.208 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.207 -1.700 9.094 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.708 -1.165 9.891 1.00 99.99 H new ATOM 875 N VAL C 27 -5.641 -4.401 10.001 1.00 99.99 N ATOM 876 CA VAL C 27 -4.267 -3.920 9.915 1.00 99.99 C ATOM 877 C VAL C 27 -3.374 -5.035 9.392 1.00 99.99 C ATOM 878 O VAL C 27 -2.579 -4.788 8.520 1.00 99.99 O ATOM 879 CB VAL C 27 -3.692 -3.509 11.278 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.205 -3.125 11.150 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.487 -2.305 11.831 1.00 99.99 C ATOM 0 H VAL C 27 -5.995 -4.482 10.954 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.288 -3.052 9.257 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.776 -4.355 11.960 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.818 -2.837 12.128 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.640 -3.978 10.773 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -2.103 -2.288 10.459 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -4.079 -2.013 12.799 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.409 -1.468 11.137 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.534 -2.583 11.948 1.00 99.99 H new ATOM 891 N VAL C 28 -3.521 -6.172 9.920 1.00 99.99 N ATOM 892 CA VAL C 28 -2.715 -7.324 9.534 1.00 99.99 C ATOM 893 C VAL C 28 -3.078 -7.739 8.117 1.00 99.99 C ATOM 894 O VAL C 28 -2.196 -8.021 7.345 1.00 99.99 O ATOM 895 CB VAL C 28 -2.962 -8.550 10.422 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.228 -9.793 9.877 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.500 -8.250 11.862 1.00 99.99 C ATOM 0 H VAL C 28 -4.207 -6.370 10.649 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.674 -7.016 9.630 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.031 -8.765 10.420 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.423 -10.645 10.528 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.586 -10.015 8.872 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.156 -9.598 9.846 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.677 -9.123 12.490 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.436 -8.013 11.861 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.060 -7.401 12.254 1.00 99.99 H new ATOM 907 N ALA C 29 -4.307 -7.769 7.835 1.00 99.99 N ATOM 908 CA ALA C 29 -4.798 -8.176 6.522 1.00 99.99 C ATOM 909 C ALA C 29 -4.264 -7.217 5.468 1.00 99.99 C ATOM 910 O ALA C 29 -3.857 -7.665 4.424 1.00 99.99 O ATOM 911 CB ALA C 29 -6.328 -8.126 6.415 1.00 99.99 C ATOM 0 H ALA C 29 -5.043 -7.515 8.494 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.461 -9.202 6.373 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.633 -8.439 5.417 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.767 -8.795 7.155 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.672 -7.108 6.597 1.00 99.99 H new ATOM 917 N ALA C 30 -4.288 -5.988 5.755 1.00 99.99 N ATOM 918 CA ALA C 30 -3.831 -4.961 4.828 1.00 99.99 C ATOM 919 C ALA C 30 -2.353 -5.165 4.536 1.00 99.99 C ATOM 920 O ALA C 30 -1.939 -4.936 3.426 1.00 99.99 O ATOM 921 CB ALA C 30 -3.965 -3.542 5.398 1.00 99.99 C ATOM 0 H ALA C 30 -4.625 -5.624 6.646 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.454 -5.054 3.938 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.609 -2.820 4.663 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.011 -3.340 5.629 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.370 -3.457 6.307 1.00 99.99 H new ATOM 927 N SER C 31 -1.639 -5.570 5.493 1.00 99.99 N ATOM 928 CA SER C 31 -0.203 -5.785 5.360 1.00 99.99 C ATOM 929 C SER C 31 0.049 -6.876 4.330 1.00 99.99 C ATOM 930 O SER C 31 0.891 -6.702 3.486 1.00 99.99 O ATOM 931 CB SER C 31 0.454 -6.259 6.663 1.00 99.99 C ATOM 932 OG SER C 31 0.389 -5.243 7.662 1.00 99.99 O ATOM 0 H SER C 31 -2.006 -5.776 6.422 1.00 99.99 H new ATOM 0 HA SER C 31 0.224 -4.825 5.072 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.045 -7.159 7.021 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.494 -6.525 6.475 1.00 99.99 H new ATOM 0 HG SER C 31 -0.543 -5.114 7.938 1.00 99.99 H new ATOM 938 N ILE C 32 -0.651 -7.922 4.432 1.00 99.99 N ATOM 939 CA ILE C 32 -0.498 -9.056 3.530 1.00 99.99 C ATOM 940 C ILE C 32 -0.877 -8.634 2.118 1.00 99.99 C ATOM 941 O ILE C 32 -0.249 -9.067 1.188 1.00 99.99 O ATOM 942 CB ILE C 32 -1.412 -10.234 3.891 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.004 -10.826 5.258 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.356 -11.328 2.804 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.069 -11.758 5.851 1.00 99.99 C ATOM 0 H ILE C 32 -1.369 -8.052 5.145 1.00 99.99 H new ATOM 0 HA ILE C 32 0.542 -9.371 3.611 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.435 -9.864 3.953 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.070 -11.376 5.145 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.812 -10.012 5.957 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.012 -12.152 3.083 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.682 -10.911 1.851 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.334 -11.694 2.709 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.723 -12.141 6.811 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -2.997 -11.205 5.994 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.244 -12.591 5.170 1.00 99.99 H new ATOM 957 N ILE C 33 -1.854 -7.843 2.012 1.00 99.99 N ATOM 958 CA ILE C 33 -2.346 -7.377 0.720 1.00 99.99 C ATOM 959 C ILE C 33 -1.238 -6.616 0.004 1.00 99.99 C ATOM 960 O ILE C 33 -1.020 -6.855 -1.156 1.00 99.99 O ATOM 961 CB ILE C 33 -3.525 -6.403 0.843 1.00 99.99 C ATOM 962 CG1 ILE C 33 -4.826 -7.225 1.023 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.633 -5.463 -0.371 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.028 -6.421 1.532 1.00 99.99 C ATOM 0 H ILE C 33 -2.369 -7.473 2.811 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.669 -8.266 0.179 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.362 -5.764 1.711 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.088 -7.678 0.067 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.631 -8.040 1.719 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.482 -4.793 -0.238 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.718 -4.877 -0.460 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -3.775 -6.053 -1.276 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -6.892 -7.079 1.627 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.792 -5.990 2.505 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.256 -5.622 0.827 1.00 99.99 H new ATOM 976 N GLY C 34 -0.605 -5.766 0.689 1.00 99.99 N ATOM 977 CA GLY C 34 0.466 -4.950 0.124 1.00 99.99 C ATOM 978 C GLY C 34 1.624 -5.847 -0.279 1.00 99.99 C ATOM 979 O GLY C 34 2.243 -5.589 -1.280 1.00 99.99 O ATOM 0 H GLY C 34 -0.790 -5.586 1.676 1.00 99.99 H new ATOM 0 HA2 GLY C 34 0.100 -4.399 -0.742 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.800 -4.212 0.854 1.00 99.99 H new ATOM 983 N ILE C 35 1.561 -7.115 0.096 1.00 99.99 N ATOM 984 CA ILE C 35 2.600 -8.006 -0.411 1.00 99.99 C ATOM 985 C ILE C 35 2.085 -8.728 -1.647 1.00 99.99 C ATOM 986 O ILE C 35 2.784 -8.780 -2.627 1.00 99.99 O ATOM 987 CB ILE C 35 2.995 -9.095 0.594 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.525 -8.455 1.902 1.00 99.99 C ATOM 989 CG2 ILE C 35 4.067 -10.017 -0.027 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.655 -9.420 3.084 1.00 99.99 C ATOM 0 H ILE C 35 0.857 -7.532 0.705 1.00 99.99 H new ATOM 0 HA ILE C 35 3.467 -7.378 -0.619 1.00 99.99 H new ATOM 0 HB ILE C 35 2.114 -9.690 0.835 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.501 -8.013 1.704 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.858 -7.641 2.187 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.344 -10.789 0.691 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.667 -10.485 -0.927 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.948 -9.429 -0.285 1.00 99.99 H new ATOM 0 HD11 ILE C 35 4.033 -8.882 3.953 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.678 -9.844 3.316 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.347 -10.222 2.825 1.00 99.99 H new ATOM 1002 N LEU C 36 0.936 -9.240 -1.563 1.00 99.99 N ATOM 1003 CA LEU C 36 0.331 -9.986 -2.662 1.00 99.99 C ATOM 1004 C LEU C 36 0.208 -9.077 -3.876 1.00 99.99 C ATOM 1005 O LEU C 36 0.492 -9.512 -4.963 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.088 -10.474 -2.342 1.00 99.99 C ATOM 1007 CG LEU C 36 -1.834 -11.155 -3.509 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.118 -12.438 -3.952 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.293 -11.445 -3.135 1.00 99.99 C ATOM 0 H LEU C 36 0.348 -9.174 -0.732 1.00 99.99 H new ATOM 0 HA LEU C 36 0.975 -10.847 -2.840 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.033 -11.176 -1.510 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.679 -9.623 -2.003 1.00 99.99 H new ATOM 0 HG LEU C 36 -1.832 -10.463 -4.351 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.667 -12.895 -4.775 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.107 -12.196 -4.280 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.071 -13.136 -3.116 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -3.795 -11.925 -3.975 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.322 -12.106 -2.269 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -3.800 -10.510 -2.895 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.238 -7.813 -3.699 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.457 -6.860 -4.760 1.00 99.99 C ATOM 1023 C HIS C 37 0.844 -6.539 -5.446 1.00 99.99 C ATOM 1024 O HIS C 37 0.862 -6.192 -6.625 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.081 -5.548 -4.227 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.517 -4.589 -5.306 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.777 -3.269 -5.054 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.782 -4.804 -6.616 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.177 -2.699 -6.183 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.188 -3.610 -7.147 1.00 99.99 N ATOM 0 H HIS C 37 -0.456 -7.436 -2.777 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.151 -7.314 -5.467 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -1.942 -5.794 -3.606 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.356 -5.049 -3.584 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.690 -5.742 -7.143 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.450 -1.660 -6.299 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.454 -3.448 -8.118 1.00 99.99 H new ATOM 1038 N LEU C 38 1.973 -6.692 -4.712 1.00 99.99 N ATOM 1039 CA LEU C 38 3.308 -6.450 -5.246 1.00 99.99 C ATOM 1040 C LEU C 38 3.671 -7.563 -6.217 1.00 99.99 C ATOM 1041 O LEU C 38 4.191 -7.280 -7.267 1.00 99.99 O ATOM 1042 CB LEU C 38 4.396 -6.448 -4.163 1.00 99.99 C ATOM 1043 CG LEU C 38 5.821 -6.217 -4.722 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.932 -4.877 -5.462 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.890 -6.314 -3.632 1.00 99.99 C ATOM 0 H LEU C 38 1.969 -6.987 -3.736 1.00 99.99 H new ATOM 0 HA LEU C 38 3.273 -5.469 -5.720 1.00 99.99 H new ATOM 0 HB2 LEU C 38 4.170 -5.671 -3.433 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.372 -7.400 -3.633 1.00 99.99 H new ATOM 0 HG LEU C 38 6.002 -7.018 -5.439 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.947 -4.753 -5.839 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.231 -4.863 -6.296 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.697 -4.062 -4.777 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.873 -6.145 -4.071 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.700 -5.561 -2.868 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.860 -7.305 -3.180 1.00 99.99 H new ATOM 1057 N ILE C 39 3.404 -8.739 -5.852 1.00 99.99 N ATOM 1058 CA ILE C 39 3.722 -9.904 -6.671 1.00 99.99 C ATOM 1059 C ILE C 39 2.884 -9.868 -7.940 1.00 99.99 C ATOM 1060 O ILE C 39 3.403 -10.146 -8.992 1.00 99.99 O ATOM 1061 CB ILE C 39 3.395 -11.232 -5.974 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.335 -11.437 -4.766 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.528 -12.405 -6.968 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.970 -12.646 -3.895 1.00 99.99 C ATOM 0 H ILE C 39 2.951 -8.965 -4.967 1.00 99.99 H new ATOM 0 HA ILE C 39 4.793 -9.857 -6.869 1.00 99.99 H new ATOM 0 HB ILE C 39 2.366 -11.201 -5.616 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.356 -11.557 -5.128 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.319 -10.539 -4.149 1.00 99.99 H new ATOM 0 HG21 ILE C 39 3.293 -13.341 -6.460 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.836 -12.259 -7.798 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.548 -12.445 -7.349 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.675 -12.724 -3.067 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.961 -12.520 -3.502 1.00 99.99 H new ATOM 0 HD13 ILE C 39 4.014 -13.554 -4.496 1.00 99.99 H new ATOM 1076 N LEU C 40 1.672 -9.551 -7.809 1.00 99.99 N ATOM 1077 CA LEU C 40 0.749 -9.501 -8.936 1.00 99.99 C ATOM 1078 C LEU C 40 1.230 -8.460 -9.936 1.00 99.99 C ATOM 1079 O LEU C 40 1.215 -8.727 -11.111 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.671 -9.086 -8.530 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.463 -10.132 -7.715 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -2.817 -9.535 -7.282 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.690 -11.432 -8.497 1.00 99.99 C ATOM 0 H LEU C 40 1.247 -9.307 -6.914 1.00 99.99 H new ATOM 0 HA LEU C 40 0.723 -10.508 -9.352 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.609 -8.167 -7.946 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.235 -8.852 -9.433 1.00 99.99 H new ATOM 0 HG LEU C 40 -0.868 -10.384 -6.837 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.374 -10.275 -6.707 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.645 -8.652 -6.667 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.391 -9.255 -8.166 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.251 -12.134 -7.880 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.253 -11.217 -9.405 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.728 -11.870 -8.762 1.00 99.99 H new ATOM 1095 N TRP C 41 1.619 -7.358 -9.461 1.00 99.99 N ATOM 1096 CA TRP C 41 2.080 -6.262 -10.304 1.00 99.99 C ATOM 1097 C TRP C 41 3.388 -6.660 -10.972 1.00 99.99 C ATOM 1098 O TRP C 41 3.558 -6.392 -12.135 1.00 99.99 O ATOM 1099 CB TRP C 41 2.368 -4.979 -9.513 1.00 99.99 C ATOM 1100 CG TRP C 41 2.748 -3.791 -10.379 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.909 -3.006 -11.108 1.00 99.99 C ATOM 1102 CD2 TRP C 41 4.085 -3.350 -10.671 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.619 -2.048 -11.775 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.959 -2.263 -11.557 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.335 -3.798 -10.233 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 5.080 -1.587 -12.012 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.461 -3.121 -10.707 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.343 -2.029 -11.584 1.00 99.99 C ATOM 0 H TRP C 41 1.641 -7.151 -8.462 1.00 99.99 H new ATOM 0 HA TRP C 41 1.281 -6.068 -11.020 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.486 -4.721 -8.926 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.175 -5.173 -8.807 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.836 -3.123 -11.153 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.221 -1.298 -12.340 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.426 -4.634 -9.555 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.985 -0.742 -12.678 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.443 -3.443 -10.393 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.232 -1.525 -11.932 1.00 99.99 H new ATOM 1119 N ILE C 42 4.235 -7.249 -10.245 1.00 99.99 N ATOM 1120 CA ILE C 42 5.542 -7.662 -10.747 1.00 99.99 C ATOM 1121 C ILE C 42 5.355 -8.749 -11.796 1.00 99.99 C ATOM 1122 O ILE C 42 6.021 -8.712 -12.801 1.00 99.99 O ATOM 1123 CB ILE C 42 6.437 -8.263 -9.658 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.908 -7.156 -8.686 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.655 -8.980 -10.279 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.734 -7.685 -7.503 1.00 99.99 C ATOM 0 H ILE C 42 4.074 -7.479 -9.264 1.00 99.99 H new ATOM 0 HA ILE C 42 6.015 -6.764 -11.145 1.00 99.99 H new ATOM 0 HB ILE C 42 5.854 -8.999 -9.104 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.504 -6.429 -9.238 1.00 99.99 H new ATOM 0 HG13 ILE C 42 6.036 -6.627 -8.301 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.275 -9.398 -9.486 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.311 -9.782 -10.932 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.241 -8.267 -10.859 1.00 99.99 H new ATOM 0 HD11 ILE C 42 8.029 -6.853 -6.864 1.00 99.99 H new ATOM 0 HD12 ILE C 42 7.134 -8.390 -6.927 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.625 -8.189 -7.878 1.00 99.99 H new ATOM 1138 N LEU C 43 4.504 -9.643 -11.539 1.00 99.99 N ATOM 1139 CA LEU C 43 4.245 -10.756 -12.443 1.00 99.99 C ATOM 1140 C LEU C 43 3.642 -10.225 -13.736 1.00 99.99 C ATOM 1141 O LEU C 43 3.926 -10.761 -14.778 1.00 99.99 O ATOM 1142 CB LEU C 43 3.234 -11.762 -11.877 1.00 99.99 C ATOM 1143 CG LEU C 43 3.758 -12.586 -10.677 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.602 -13.360 -10.017 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.874 -13.559 -11.090 1.00 99.99 C ATOM 0 H LEU C 43 3.939 -9.656 -10.690 1.00 99.99 H new ATOM 0 HA LEU C 43 5.202 -11.255 -12.596 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.337 -11.224 -11.569 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.938 -12.447 -12.671 1.00 99.99 H new ATOM 0 HG LEU C 43 4.182 -11.883 -9.959 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.984 -13.936 -9.174 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.848 -12.657 -9.664 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.154 -14.036 -10.745 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.212 -14.117 -10.217 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.493 -14.253 -11.839 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.710 -12.998 -11.508 1.00 99.99 H new ATOM 1157 N ASP C 44 2.858 -9.243 -13.632 1.00 99.99 N ATOM 1158 CA ASP C 44 2.191 -8.651 -14.783 1.00 99.99 C ATOM 1159 C ASP C 44 3.226 -7.983 -15.678 1.00 99.99 C ATOM 1160 O ASP C 44 3.133 -8.105 -16.874 1.00 99.99 O ATOM 1161 CB ASP C 44 1.185 -7.557 -14.397 1.00 99.99 C ATOM 1162 CG ASP C 44 0.422 -7.001 -15.614 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.370 -7.763 -16.219 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.575 -5.786 -15.938 1.00 99.99 O ATOM 0 H ASP C 44 2.633 -8.793 -12.745 1.00 99.99 H new ATOM 0 HA ASP C 44 1.663 -9.465 -15.280 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.472 -7.961 -13.679 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.712 -6.743 -13.900 1.00 99.99 H new ATOM 1169 N ARG C 45 4.133 -7.325 -15.099 1.00 99.99 N ATOM 1170 CA ARG C 45 5.175 -6.616 -15.833 1.00 99.99 C ATOM 1171 C ARG C 45 6.031 -7.620 -16.591 1.00 99.99 C ATOM 1172 O ARG C 45 6.343 -7.380 -17.729 1.00 99.99 O ATOM 1173 CB ARG C 45 6.130 -5.841 -14.915 1.00 99.99 C ATOM 1174 CG ARG C 45 5.453 -4.685 -14.150 1.00 99.99 C ATOM 1175 CD ARG C 45 5.175 -3.460 -15.031 1.00 99.99 C ATOM 1176 NE ARG C 45 3.773 -3.567 -15.573 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.401 -2.902 -16.684 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.254 -2.098 -17.342 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.134 -3.034 -17.110 1.00 99.99 N ATOM 0 H ARG C 45 4.207 -7.239 -14.085 1.00 99.99 H new ATOM 0 HA ARG C 45 4.661 -5.916 -16.492 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.570 -6.532 -14.196 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.948 -5.439 -15.513 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.514 -5.040 -13.725 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.089 -4.388 -13.316 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.288 -2.544 -14.452 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.894 -3.411 -15.849 1.00 99.99 H new ATOM 0 HE ARG C 45 3.093 -4.154 -15.090 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.209 -1.980 -17.002 1.00 99.99 H new ATOM 0 HH12 ARG C 45 3.947 -1.606 -18.181 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.482 -3.626 -16.595 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.824 -2.542 -17.948 1.00 99.99 H new ATOM 1193 N LEU C 46 6.370 -8.660 -15.963 1.00 99.99 N ATOM 1194 CA LEU C 46 7.209 -9.693 -16.559 1.00 99.99 C ATOM 1195 C LEU C 46 6.445 -10.375 -17.684 1.00 99.99 C ATOM 1196 O LEU C 46 5.453 -11.063 -17.450 1.00 99.99 O ATOM 1197 CB LEU C 46 7.595 -10.797 -15.566 1.00 99.99 C ATOM 1198 CG LEU C 46 8.382 -10.373 -14.301 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.446 -11.578 -13.343 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.795 -9.865 -14.607 1.00 99.99 C ATOM 0 H LEU C 46 6.087 -8.856 -15.003 1.00 99.99 H new ATOM 0 HA LEU C 46 8.112 -9.191 -16.905 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.681 -11.295 -15.243 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.190 -11.538 -16.100 1.00 99.99 H new ATOM 0 HG LEU C 46 7.855 -9.535 -13.845 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.997 -11.300 -12.445 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.435 -11.880 -13.070 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.952 -12.408 -13.836 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.290 -9.585 -13.677 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.366 -10.652 -15.100 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.735 -8.996 -15.262 1.00 99.99 H new TER 1212 LEU C 46 ATOM 1213 N SER D 22 10.407 -0.579 18.974 1.00 99.99 N ATOM 1214 CA SER D 22 10.116 -1.252 17.676 1.00 99.99 C ATOM 1215 C SER D 22 8.656 -1.593 17.532 1.00 99.99 C ATOM 1216 O SER D 22 7.866 -1.434 18.463 1.00 99.99 O ATOM 1217 CB SER D 22 11.010 -2.519 17.481 1.00 99.99 C ATOM 1218 OG SER D 22 10.774 -3.529 18.459 1.00 99.99 O ATOM 0 HA SER D 22 10.361 -0.541 16.887 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.830 -2.934 16.489 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.059 -2.225 17.518 1.00 99.99 H new ATOM 0 HG SER D 22 11.359 -4.296 18.285 1.00 99.99 H new ATOM 1223 N SER D 23 8.276 -2.084 16.328 1.00 99.99 N ATOM 1224 CA SER D 23 6.946 -2.564 16.037 1.00 99.99 C ATOM 1225 C SER D 23 7.119 -3.987 15.571 1.00 99.99 C ATOM 1226 O SER D 23 8.179 -4.582 15.763 1.00 99.99 O ATOM 1227 CB SER D 23 6.224 -1.711 14.965 1.00 99.99 C ATOM 1228 OG SER D 23 6.043 -0.381 15.435 1.00 99.99 O ATOM 0 H SER D 23 8.912 -2.149 15.533 1.00 99.99 H new ATOM 0 HA SER D 23 6.315 -2.497 16.923 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.806 -1.703 14.044 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.257 -2.155 14.727 1.00 99.99 H new ATOM 0 HG SER D 23 5.587 0.149 14.748 1.00 99.99 H new ATOM 1234 N ASP D 24 6.058 -4.584 14.968 1.00 99.99 N ATOM 1235 CA ASP D 24 6.022 -5.987 14.598 1.00 99.99 C ATOM 1236 C ASP D 24 6.613 -6.136 13.213 1.00 99.99 C ATOM 1237 O ASP D 24 6.517 -5.190 12.439 1.00 99.99 O ATOM 1238 CB ASP D 24 4.572 -6.548 14.574 1.00 99.99 C ATOM 1239 CG ASP D 24 3.920 -6.485 15.959 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.655 -6.405 16.981 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.662 -6.526 16.010 1.00 99.99 O ATOM 0 H ASP D 24 5.203 -4.081 14.731 1.00 99.99 H new ATOM 0 HA ASP D 24 6.591 -6.545 15.342 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.973 -5.979 13.863 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.586 -7.580 14.225 1.00 99.99 H new ATOM 1246 N PRO D 25 7.246 -7.248 12.832 1.00 99.99 N ATOM 1247 CA PRO D 25 8.118 -7.296 11.668 1.00 99.99 C ATOM 1248 C PRO D 25 7.356 -7.301 10.361 1.00 99.99 C ATOM 1249 O PRO D 25 7.942 -6.884 9.373 1.00 99.99 O ATOM 1250 CB PRO D 25 8.922 -8.596 11.837 1.00 99.99 C ATOM 1251 CG PRO D 25 8.049 -9.467 12.743 1.00 99.99 C ATOM 1252 CD PRO D 25 7.400 -8.438 13.666 1.00 99.99 C ATOM 0 HA PRO D 25 8.749 -6.409 11.618 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.104 -9.079 10.877 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.896 -8.405 12.287 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.307 -10.027 12.174 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.640 -10.195 13.299 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.438 -8.789 14.039 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.024 -8.235 14.536 1.00 99.99 H new ATOM 1260 N LEU D 26 6.088 -7.771 10.337 1.00 99.99 N ATOM 1261 CA LEU D 26 5.153 -7.749 9.219 1.00 99.99 C ATOM 1262 C LEU D 26 4.688 -6.321 8.977 1.00 99.99 C ATOM 1263 O LEU D 26 4.611 -5.915 7.845 1.00 99.99 O ATOM 1264 CB LEU D 26 3.887 -8.577 9.482 1.00 99.99 C ATOM 1265 CG LEU D 26 2.748 -8.433 8.447 1.00 99.99 C ATOM 1266 CD1 LEU D 26 3.143 -8.941 7.058 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.484 -9.149 8.946 1.00 99.99 C ATOM 0 H LEU D 26 5.675 -8.204 11.163 1.00 99.99 H new ATOM 0 HA LEU D 26 5.687 -8.169 8.367 1.00 99.99 H new ATOM 0 HB2 LEU D 26 4.170 -9.628 9.535 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.496 -8.303 10.462 1.00 99.99 H new ATOM 0 HG LEU D 26 2.542 -7.368 8.343 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.305 -8.815 6.373 1.00 99.99 H new ATOM 0 HD12 LEU D 26 3.999 -8.373 6.693 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.407 -9.997 7.118 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.689 -9.040 8.208 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.700 -10.207 9.094 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.165 -8.708 9.891 1.00 99.99 H new ATOM 1279 N VAL D 27 4.401 -5.641 10.001 1.00 99.99 N ATOM 1280 CA VAL D 27 3.920 -4.267 9.915 1.00 99.99 C ATOM 1281 C VAL D 27 5.035 -3.374 9.392 1.00 99.99 C ATOM 1282 O VAL D 27 4.788 -2.579 8.520 1.00 99.99 O ATOM 1283 CB VAL D 27 3.509 -3.692 11.278 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.125 -2.205 11.150 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.305 -4.487 11.831 1.00 99.99 C ATOM 0 H VAL D 27 4.482 -5.995 10.954 1.00 99.99 H new ATOM 0 HA VAL D 27 3.052 -4.288 9.257 1.00 99.99 H new ATOM 0 HB VAL D 27 4.355 -3.776 11.960 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.837 -1.818 12.128 1.00 99.99 H new ATOM 0 HG12 VAL D 27 3.978 -1.640 10.773 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.288 -2.103 10.459 1.00 99.99 H new ATOM 0 HG21 VAL D 27 2.013 -4.079 12.799 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.468 -4.409 11.137 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.583 -5.534 11.948 1.00 99.99 H new ATOM 1295 N VAL D 28 6.172 -3.521 9.920 1.00 99.99 N ATOM 1296 CA VAL D 28 7.324 -2.715 9.534 1.00 99.99 C ATOM 1297 C VAL D 28 7.739 -3.078 8.117 1.00 99.99 C ATOM 1298 O VAL D 28 8.021 -2.196 7.345 1.00 99.99 O ATOM 1299 CB VAL D 28 8.550 -2.962 10.422 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.793 -2.228 9.877 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.250 -2.500 11.862 1.00 99.99 C ATOM 0 H VAL D 28 6.370 -4.207 10.649 1.00 99.99 H new ATOM 0 HA VAL D 28 7.016 -1.674 9.630 1.00 99.99 H new ATOM 0 HB VAL D 28 8.765 -4.031 10.420 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.645 -2.423 10.528 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.015 -2.586 8.872 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.598 -1.156 9.846 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.123 -2.677 12.490 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.013 -1.436 11.861 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.401 -3.060 12.254 1.00 99.99 H new ATOM 1311 N ALA D 29 7.769 -4.307 7.835 1.00 99.99 N ATOM 1312 CA ALA D 29 8.176 -4.798 6.522 1.00 99.99 C ATOM 1313 C ALA D 29 7.217 -4.264 5.468 1.00 99.99 C ATOM 1314 O ALA D 29 7.665 -3.857 4.424 1.00 99.99 O ATOM 1315 CB ALA D 29 8.126 -6.328 6.415 1.00 99.99 C ATOM 0 H ALA D 29 7.515 -5.043 8.494 1.00 99.99 H new ATOM 0 HA ALA D 29 9.202 -4.461 6.373 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.439 -6.633 5.417 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.795 -6.767 7.155 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.108 -6.672 6.597 1.00 99.99 H new ATOM 1321 N ALA D 30 5.988 -4.288 5.755 1.00 99.99 N ATOM 1322 CA ALA D 30 4.961 -3.831 4.828 1.00 99.99 C ATOM 1323 C ALA D 30 5.165 -2.353 4.536 1.00 99.99 C ATOM 1324 O ALA D 30 4.936 -1.939 3.426 1.00 99.99 O ATOM 1325 CB ALA D 30 3.542 -3.965 5.398 1.00 99.99 C ATOM 0 H ALA D 30 5.624 -4.625 6.646 1.00 99.99 H new ATOM 0 HA ALA D 30 5.054 -4.454 3.938 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.820 -3.609 4.663 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.340 -5.011 5.629 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.457 -3.370 6.307 1.00 99.99 H new ATOM 1331 N SER D 31 5.570 -1.639 5.493 1.00 99.99 N ATOM 1332 CA SER D 31 5.785 -0.203 5.360 1.00 99.99 C ATOM 1333 C SER D 31 6.876 0.049 4.330 1.00 99.99 C ATOM 1334 O SER D 31 6.702 0.891 3.486 1.00 99.99 O ATOM 1335 CB SER D 31 6.259 0.454 6.663 1.00 99.99 C ATOM 1336 OG SER D 31 5.243 0.389 7.662 1.00 99.99 O ATOM 0 H SER D 31 5.776 -2.006 6.422 1.00 99.99 H new ATOM 0 HA SER D 31 4.825 0.224 5.072 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.159 -0.045 7.021 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.525 1.494 6.475 1.00 99.99 H new ATOM 0 HG SER D 31 5.092 -0.546 7.915 1.00 99.99 H new ATOM 1342 N ILE D 32 7.922 -0.651 4.432 1.00 99.99 N ATOM 1343 CA ILE D 32 9.056 -0.498 3.530 1.00 99.99 C ATOM 1344 C ILE D 32 8.634 -0.877 2.118 1.00 99.99 C ATOM 1345 O ILE D 32 9.067 -0.249 1.188 1.00 99.99 O ATOM 1346 CB ILE D 32 10.234 -1.412 3.891 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.826 -1.004 5.258 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.328 -1.356 2.804 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.758 -2.069 5.851 1.00 99.99 C ATOM 0 H ILE D 32 8.052 -1.369 5.145 1.00 99.99 H new ATOM 0 HA ILE D 32 9.371 0.542 3.611 1.00 99.99 H new ATOM 0 HB ILE D 32 9.864 -2.435 3.953 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.376 -0.070 5.145 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.012 -0.812 5.957 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.152 -2.012 3.083 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.911 -1.682 1.851 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.694 -0.334 2.709 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.141 -1.723 6.811 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.205 -2.997 5.994 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.591 -2.244 5.170 1.00 99.99 H new ATOM 1361 N ILE D 33 7.843 -1.854 2.012 1.00 99.99 N ATOM 1362 CA ILE D 33 7.377 -2.346 0.720 1.00 99.99 C ATOM 1363 C ILE D 33 6.616 -1.238 0.004 1.00 99.99 C ATOM 1364 O ILE D 33 6.855 -1.020 -1.156 1.00 99.99 O ATOM 1365 CB ILE D 33 6.403 -3.525 0.843 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.225 -4.826 1.023 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.463 -3.633 -0.371 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.421 -6.028 1.532 1.00 99.99 C ATOM 0 H ILE D 33 7.473 -2.369 2.811 1.00 99.99 H new ATOM 0 HA ILE D 33 8.266 -2.669 0.179 1.00 99.99 H new ATOM 0 HB ILE D 33 5.764 -3.362 1.711 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.678 -5.088 0.067 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.040 -4.631 1.719 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.793 -4.482 -0.238 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.877 -2.718 -0.460 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.053 -3.775 -1.276 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.079 -6.892 1.627 1.00 99.99 H new ATOM 0 HD12 ILE D 33 5.990 -5.792 2.505 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.622 -6.256 0.827 1.00 99.99 H new ATOM 1380 N GLY D 34 5.766 -0.605 0.689 1.00 99.99 N ATOM 1381 CA GLY D 34 4.950 0.466 0.124 1.00 99.99 C ATOM 1382 C GLY D 34 5.847 1.624 -0.279 1.00 99.99 C ATOM 1383 O GLY D 34 5.589 2.243 -1.280 1.00 99.99 O ATOM 0 H GLY D 34 5.586 -0.790 1.676 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.399 0.100 -0.742 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.212 0.800 0.854 1.00 99.99 H new ATOM 1387 N ILE D 35 7.115 1.561 0.096 1.00 99.99 N ATOM 1388 CA ILE D 35 8.006 2.600 -0.411 1.00 99.99 C ATOM 1389 C ILE D 35 8.728 2.085 -1.647 1.00 99.99 C ATOM 1390 O ILE D 35 8.780 2.784 -2.627 1.00 99.99 O ATOM 1391 CB ILE D 35 9.095 2.995 0.594 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.455 3.525 1.902 1.00 99.99 C ATOM 1393 CG2 ILE D 35 10.017 4.067 -0.027 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.420 3.655 3.084 1.00 99.99 C ATOM 0 H ILE D 35 7.532 0.857 0.705 1.00 99.99 H new ATOM 0 HA ILE D 35 7.378 3.467 -0.619 1.00 99.99 H new ATOM 0 HB ILE D 35 9.690 2.114 0.835 1.00 99.99 H new ATOM 0 HG12 ILE D 35 8.013 4.501 1.704 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.641 2.858 2.187 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.789 4.344 0.691 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.485 3.667 -0.927 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.429 4.948 -0.285 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.882 4.033 3.953 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.844 2.678 3.316 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.222 4.347 2.825 1.00 99.99 H new ATOM 1406 N LEU D 36 9.240 0.936 -1.563 1.00 99.99 N ATOM 1407 CA LEU D 36 9.986 0.331 -2.662 1.00 99.99 C ATOM 1408 C LEU D 36 9.077 0.208 -3.876 1.00 99.99 C ATOM 1409 O LEU D 36 9.512 0.492 -4.963 1.00 99.99 O ATOM 1410 CB LEU D 36 10.474 -1.088 -2.342 1.00 99.99 C ATOM 1411 CG LEU D 36 11.155 -1.834 -3.509 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.438 -1.118 -3.952 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.445 -3.293 -3.135 1.00 99.99 C ATOM 0 H LEU D 36 9.174 0.348 -0.732 1.00 99.99 H new ATOM 0 HA LEU D 36 10.847 0.975 -2.840 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.176 -1.033 -1.510 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.623 -1.679 -2.003 1.00 99.99 H new ATOM 0 HG LEU D 36 10.463 -1.832 -4.351 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.895 -1.667 -4.775 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.196 -0.107 -4.280 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.136 -1.071 -3.116 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.925 -3.795 -3.975 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.106 -3.322 -2.269 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.510 -3.800 -2.895 1.00 99.99 H new ATOM 1425 N HIS D 37 7.813 -0.238 -3.699 1.00 99.99 N ATOM 1426 CA HIS D 37 6.860 -0.457 -4.760 1.00 99.99 C ATOM 1427 C HIS D 37 6.539 0.844 -5.446 1.00 99.99 C ATOM 1428 O HIS D 37 6.192 0.862 -6.625 1.00 99.99 O ATOM 1429 CB HIS D 37 5.548 -1.081 -4.227 1.00 99.99 C ATOM 1430 CG HIS D 37 4.589 -1.517 -5.306 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.269 -1.777 -5.054 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.804 -1.782 -6.616 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.699 -2.177 -6.183 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.610 -2.188 -7.147 1.00 99.99 N ATOM 0 H HIS D 37 7.436 -0.456 -2.777 1.00 99.99 H new ATOM 0 HA HIS D 37 7.314 -1.151 -5.467 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.794 -1.942 -3.606 1.00 99.99 H new ATOM 0 HB3 HIS D 37 5.049 -0.356 -3.584 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.742 -1.690 -7.143 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.660 -2.450 -6.299 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.448 -2.454 -8.118 1.00 99.99 H new ATOM 1442 N LEU D 38 6.692 1.973 -4.712 1.00 99.99 N ATOM 1443 CA LEU D 38 6.450 3.308 -5.246 1.00 99.99 C ATOM 1444 C LEU D 38 7.563 3.671 -6.217 1.00 99.99 C ATOM 1445 O LEU D 38 7.280 4.191 -7.267 1.00 99.99 O ATOM 1446 CB LEU D 38 6.448 4.396 -4.163 1.00 99.99 C ATOM 1447 CG LEU D 38 6.217 5.821 -4.722 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.877 5.932 -5.462 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.314 6.890 -3.632 1.00 99.99 C ATOM 0 H LEU D 38 6.987 1.969 -3.736 1.00 99.99 H new ATOM 0 HA LEU D 38 5.469 3.273 -5.720 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.671 4.170 -3.433 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.400 4.372 -3.633 1.00 99.99 H new ATOM 0 HG LEU D 38 7.018 6.002 -5.439 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.753 6.947 -5.839 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.863 5.231 -6.296 1.00 99.99 H new ATOM 0 HD13 LEU D 38 4.062 5.697 -4.777 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.145 7.873 -4.071 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.561 6.700 -2.868 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.305 6.860 -3.180 1.00 99.99 H new ATOM 1461 N ILE D 39 8.739 3.404 -5.852 1.00 99.99 N ATOM 1462 CA ILE D 39 9.904 3.722 -6.671 1.00 99.99 C ATOM 1463 C ILE D 39 9.868 2.884 -7.940 1.00 99.99 C ATOM 1464 O ILE D 39 10.146 3.403 -8.992 1.00 99.99 O ATOM 1465 CB ILE D 39 11.232 3.395 -5.974 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.437 4.335 -4.766 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.405 3.528 -6.968 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.646 3.970 -3.895 1.00 99.99 C ATOM 0 H ILE D 39 8.965 2.951 -4.967 1.00 99.99 H new ATOM 0 HA ILE D 39 9.857 4.793 -6.869 1.00 99.99 H new ATOM 0 HB ILE D 39 11.201 2.366 -5.616 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.557 5.356 -5.128 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.539 4.319 -4.149 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.341 3.293 -6.460 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.259 2.836 -7.798 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.445 4.548 -7.349 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.724 4.675 -3.067 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.520 2.961 -3.502 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.554 4.014 -4.496 1.00 99.99 H new ATOM 1480 N LEU D 40 9.551 1.672 -7.809 1.00 99.99 N ATOM 1481 CA LEU D 40 9.501 0.749 -8.936 1.00 99.99 C ATOM 1482 C LEU D 40 8.460 1.230 -9.936 1.00 99.99 C ATOM 1483 O LEU D 40 8.727 1.215 -11.111 1.00 99.99 O ATOM 1484 CB LEU D 40 9.086 -0.671 -8.530 1.00 99.99 C ATOM 1485 CG LEU D 40 10.132 -1.463 -7.715 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.535 -2.817 -7.282 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.432 -1.690 -8.497 1.00 99.99 C ATOM 0 H LEU D 40 9.307 1.247 -6.914 1.00 99.99 H new ATOM 0 HA LEU D 40 10.508 0.723 -9.352 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.167 -0.609 -7.946 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.852 -1.235 -9.433 1.00 99.99 H new ATOM 0 HG LEU D 40 10.384 -0.868 -6.837 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.275 -3.374 -6.707 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.652 -2.645 -6.667 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.255 -3.391 -8.166 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.134 -2.251 -7.880 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.217 -2.253 -9.405 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.870 -0.728 -8.762 1.00 99.99 H new ATOM 1499 N TRP D 41 7.358 1.619 -9.461 1.00 99.99 N ATOM 1500 CA TRP D 41 6.262 2.080 -10.304 1.00 99.99 C ATOM 1501 C TRP D 41 6.660 3.388 -10.972 1.00 99.99 C ATOM 1502 O TRP D 41 6.392 3.558 -12.135 1.00 99.99 O ATOM 1503 CB TRP D 41 4.979 2.368 -9.513 1.00 99.99 C ATOM 1504 CG TRP D 41 3.791 2.748 -10.379 1.00 99.99 C ATOM 1505 CD1 TRP D 41 3.006 1.909 -11.108 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.350 4.085 -10.671 1.00 99.99 C ATOM 1507 NE1 TRP D 41 2.048 2.619 -11.775 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.263 3.959 -11.557 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.798 5.335 -10.233 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.587 5.080 -12.012 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.121 6.461 -10.707 1.00 99.99 C ATOM 1512 CH2 TRP D 41 2.029 6.343 -11.584 1.00 99.99 C ATOM 0 H TRP D 41 7.151 1.641 -8.462 1.00 99.99 H new ATOM 0 HA TRP D 41 6.068 1.281 -11.020 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.721 1.486 -8.926 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.173 3.175 -8.807 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.123 0.836 -11.153 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.298 2.221 -12.340 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.634 5.426 -9.555 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.742 4.985 -12.678 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.443 7.443 -10.393 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.525 7.232 -11.932 1.00 99.99 H new ATOM 1523 N ILE D 42 7.249 4.235 -10.245 1.00 99.99 N ATOM 1524 CA ILE D 42 7.662 5.542 -10.747 1.00 99.99 C ATOM 1525 C ILE D 42 8.749 5.355 -11.796 1.00 99.99 C ATOM 1526 O ILE D 42 8.712 6.021 -12.801 1.00 99.99 O ATOM 1527 CB ILE D 42 8.263 6.437 -9.658 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.156 6.908 -8.686 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.980 7.655 -10.279 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.685 7.734 -7.503 1.00 99.99 C ATOM 0 H ILE D 42 7.479 4.074 -9.264 1.00 99.99 H new ATOM 0 HA ILE D 42 6.764 6.015 -11.145 1.00 99.99 H new ATOM 0 HB ILE D 42 8.999 5.854 -9.104 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.429 7.504 -9.238 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.627 6.036 -8.301 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.398 8.275 -9.486 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.782 7.311 -10.932 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.267 8.241 -10.859 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.853 8.029 -6.864 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.390 7.134 -6.927 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.189 8.625 -7.878 1.00 99.99 H new ATOM 1542 N LEU D 43 9.643 4.504 -11.539 1.00 99.99 N ATOM 1543 CA LEU D 43 10.756 4.245 -12.443 1.00 99.99 C ATOM 1544 C LEU D 43 10.225 3.642 -13.736 1.00 99.99 C ATOM 1545 O LEU D 43 10.761 3.926 -14.778 1.00 99.99 O ATOM 1546 CB LEU D 43 11.762 3.234 -11.877 1.00 99.99 C ATOM 1547 CG LEU D 43 12.586 3.758 -10.677 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.360 2.602 -10.017 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.559 4.874 -11.090 1.00 99.99 C ATOM 0 H LEU D 43 9.656 3.939 -10.690 1.00 99.99 H new ATOM 0 HA LEU D 43 11.255 5.202 -12.596 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.224 2.337 -11.569 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.447 2.938 -12.671 1.00 99.99 H new ATOM 0 HG LEU D 43 11.883 4.182 -9.959 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.936 2.984 -9.174 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.657 1.848 -9.664 1.00 99.99 H new ATOM 0 HD13 LEU D 43 14.036 2.154 -10.745 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.117 5.212 -10.217 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.253 4.493 -11.839 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.998 5.710 -11.508 1.00 99.99 H new ATOM 1561 N ASP D 44 9.243 2.858 -13.632 1.00 99.99 N ATOM 1562 CA ASP D 44 8.651 2.191 -14.783 1.00 99.99 C ATOM 1563 C ASP D 44 7.983 3.226 -15.678 1.00 99.99 C ATOM 1564 O ASP D 44 8.105 3.133 -16.874 1.00 99.99 O ATOM 1565 CB ASP D 44 7.557 1.185 -14.397 1.00 99.99 C ATOM 1566 CG ASP D 44 7.001 0.422 -15.614 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.763 -0.370 -16.219 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.786 0.575 -15.938 1.00 99.99 O ATOM 0 H ASP D 44 8.793 2.633 -12.745 1.00 99.99 H new ATOM 0 HA ASP D 44 9.465 1.663 -15.280 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.961 0.472 -13.679 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.743 1.712 -13.900 1.00 99.99 H new ATOM 1573 N ARG D 45 7.325 4.133 -15.099 1.00 99.99 N ATOM 1574 CA ARG D 45 6.616 5.175 -15.833 1.00 99.99 C ATOM 1575 C ARG D 45 7.620 6.031 -16.591 1.00 99.99 C ATOM 1576 O ARG D 45 7.380 6.343 -17.729 1.00 99.99 O ATOM 1577 CB ARG D 45 5.841 6.130 -14.915 1.00 99.99 C ATOM 1578 CG ARG D 45 4.685 5.453 -14.150 1.00 99.99 C ATOM 1579 CD ARG D 45 3.460 5.175 -15.031 1.00 99.99 C ATOM 1580 NE ARG D 45 3.567 3.773 -15.573 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.902 3.401 -16.684 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.098 4.254 -17.342 1.00 99.99 N ATOM 1583 NH2 ARG D 45 3.034 2.134 -17.110 1.00 99.99 N ATOM 0 H ARG D 45 7.239 4.207 -14.085 1.00 99.99 H new ATOM 0 HA ARG D 45 5.916 4.661 -16.492 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.532 6.570 -14.196 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.439 6.948 -15.513 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.040 4.514 -13.725 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.388 6.089 -13.316 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.544 5.288 -14.452 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.411 5.894 -15.849 1.00 99.99 H new ATOM 0 HE ARG D 45 4.154 3.093 -15.090 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.980 5.209 -17.002 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.606 3.947 -18.181 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.626 1.482 -16.595 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.542 1.824 -17.948 1.00 99.99 H new ATOM 1597 N LEU D 46 8.660 6.370 -15.963 1.00 99.99 N ATOM 1598 CA LEU D 46 9.693 7.209 -16.559 1.00 99.99 C ATOM 1599 C LEU D 46 10.375 6.445 -17.684 1.00 99.99 C ATOM 1600 O LEU D 46 11.063 5.453 -17.450 1.00 99.99 O ATOM 1601 CB LEU D 46 10.797 7.595 -15.566 1.00 99.99 C ATOM 1602 CG LEU D 46 10.373 8.382 -14.301 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.578 8.446 -13.343 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.865 9.795 -14.607 1.00 99.99 C ATOM 0 H LEU D 46 8.856 6.087 -15.003 1.00 99.99 H new ATOM 0 HA LEU D 46 9.191 8.112 -16.905 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.295 6.681 -15.243 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.538 8.190 -16.100 1.00 99.99 H new ATOM 0 HG LEU D 46 9.535 7.855 -13.845 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.300 8.997 -12.445 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.880 7.435 -13.070 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.408 8.952 -13.836 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.585 10.290 -13.677 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.652 10.366 -15.100 1.00 99.99 H new ATOM 0 HD23 LEU D 46 8.996 9.735 -15.262 1.00 99.99 H new TER 1616 LEU D 46 HETATM 1617 N1 308 C 1 -0.100 -0.016 2.519 1.00 0.00 N HETATM 1618 C10 308 C 1 -0.100 -0.016 3.988 1.00 0.00 C HETATM 1619 C7 308 C 1 -1.303 0.704 4.617 1.00 0.00 C HETATM 1620 C1 308 C 1 -1.156 0.700 6.093 1.00 0.00 C HETATM 1621 C8 308 C 1 -0.100 -1.448 4.515 1.00 0.00 C HETATM 1622 C5 308 C 1 0.050 -1.433 5.940 1.00 0.00 C HETATM 1623 C6 308 C 1 -1.108 -0.714 6.536 1.00 0.00 C HETATM 1624 C4 308 C 1 1.273 -0.661 6.383 1.00 0.00 C HETATM 1625 C9 308 C 1 1.131 0.798 4.458 1.00 0.00 C HETATM 1626 C3 308 C 1 1.233 0.693 5.903 1.00 0.00 C HETATM 1627 C2 308 C 1 0.080 1.375 6.568 1.00 0.00 C HETATM 0 HN1A 308 C 1 0.658 -0.470 2.009 1.00 0.00 H new HETATM 0 HN1 308 C 1 -0.858 0.438 2.009 1.00 0.00 H new HETATM 0 H9A 308 C 1 2.038 0.419 3.986 1.00 0.00 H new HETATM 0 H9 308 C 1 1.030 1.842 4.161 1.00 0.00 H new HETATM 0 H8A 308 C 1 -1.030 -1.947 4.242 1.00 0.00 H new HETATM 0 H8 308 C 1 0.712 -2.015 4.059 1.00 0.00 H new HETATM 0 H7A 308 C 1 -1.363 1.728 4.248 1.00 0.00 H new HETATM 0 H7 308 C 1 -2.230 0.207 4.330 1.00 0.00 H new HETATM 0 H6A 308 C 1 -1.042 -0.754 7.623 1.00 0.00 H new HETATM 0 H6 308 C 1 -2.034 -1.216 6.254 1.00 0.00 H new HETATM 0 H5 308 C 1 0.129 -2.473 6.258 1.00 0.00 H new HETATM 0 H4A 308 C 1 1.333 -0.662 7.471 1.00 0.00 H new HETATM 0 H4 308 C 1 2.172 -1.155 6.013 1.00 0.00 H new HETATM 0 H3 308 C 1 2.178 1.174 6.154 1.00 0.00 H new HETATM 0 H2A 308 C 1 0.062 2.435 6.316 1.00 0.00 H new HETATM 0 H2 308 C 1 0.165 1.306 7.653 1.00 0.00 H new HETATM 0 H1 308 C 1 -2.001 1.249 6.509 1.00 0.00 H new