USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot -82:sc= 2.06 USER MOD Set 1.2: A 32 TYR OH : rot 80:sc= -0.0152 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 ASN : amide:sc= -0.358 K(o=-0.36,f=0.67) USER MOD Single : A 1 ALA N :NH3+ -127:sc= 0.133 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 41:sc= 0.382 USER MOD Single : A 6 THR OG1 : rot 45:sc= 0.826 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 170:sc= -0.153 USER MOD Single : A 11 SER OG : rot 180:sc= -0.341 USER MOD Single : A 17 THR OG1 : rot 120:sc= 1.32 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.8) USER MOD Single : A 36 GLN : amide:sc= -1! C(o=-1!,f=-5.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 48 ASN : amide:sc= -0.48 K(o=-0.48,f=-4.4!) USER MOD Single : A 53 SER OG : rot 152:sc= 1.24 USER MOD Single : A 54 SER OG : rot 50:sc= 0.0469 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 62 SER OG : rot 71:sc= 1.2 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 150:sc= -0.0618 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 132:sc= 1.25 USER MOD Single : A 72 SER OG : rot -60:sc= 1.28 USER MOD Single : A 81 THR OG1 : rot 86:sc= 1.3 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 113:sc= 0.26 USER MOD Single : A 90 THR OG1 : rot -48:sc= 0.843 USER MOD Single : A 94 GLN : amide:sc= -0.695 K(o=-0.7,f=-0.0058) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.635 5.592 15.190 1.00 0.00 N ATOM 2 CA ALA A 1 -17.223 4.256 14.975 1.00 0.00 C ATOM 3 C ALA A 1 -16.125 3.216 14.824 1.00 0.00 C ATOM 4 O ALA A 1 -14.940 3.548 14.851 1.00 0.00 O ATOM 5 CB ALA A 1 -18.110 4.268 13.741 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.046 6.019 16.045 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.605 5.503 15.308 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.839 6.197 14.369 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.831 3.997 15.842 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.539 3.277 13.592 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.912 4.994 13.876 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.516 4.542 12.869 1.00 0.00 H new ATOM 11 N ALA A 2 -16.520 1.961 14.667 1.00 0.00 N ATOM 12 CA ALA A 2 -15.569 0.874 14.507 1.00 0.00 C ATOM 13 C ALA A 2 -15.581 0.349 13.074 1.00 0.00 C ATOM 14 O ALA A 2 -16.538 -0.301 12.646 1.00 0.00 O ATOM 15 CB ALA A 2 -15.880 -0.243 15.488 1.00 0.00 C ATOM 0 H ALA A 2 -17.498 1.671 14.647 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.570 1.256 14.718 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.161 -1.052 15.359 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.817 0.139 16.507 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.886 -0.619 15.304 1.00 0.00 H new ATOM 21 N PRO A 3 -14.527 0.645 12.306 1.00 0.00 N ATOM 22 CA PRO A 3 -14.419 0.199 10.922 1.00 0.00 C ATOM 23 C PRO A 3 -14.092 -1.289 10.826 1.00 0.00 C ATOM 24 O PRO A 3 -13.837 -1.952 11.836 1.00 0.00 O ATOM 25 CB PRO A 3 -13.282 1.051 10.360 1.00 0.00 C ATOM 26 CG PRO A 3 -12.437 1.387 11.538 1.00 0.00 C ATOM 27 CD PRO A 3 -13.358 1.435 12.730 1.00 0.00 C ATOM 0 HA PRO A 3 -15.354 0.317 10.374 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.713 0.504 9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.664 1.951 9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.657 0.639 11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.937 2.345 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.888 1.009 13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.637 2.459 12.979 1.00 0.00 H new ATOM 35 N THR A 4 -14.098 -1.811 9.613 1.00 0.00 N ATOM 36 CA THR A 4 -13.816 -3.217 9.387 1.00 0.00 C ATOM 37 C THR A 4 -12.837 -3.389 8.229 1.00 0.00 C ATOM 38 O THR A 4 -13.237 -3.490 7.070 1.00 0.00 O ATOM 39 CB THR A 4 -15.114 -3.993 9.095 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.130 -3.082 8.653 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.594 -4.734 10.335 1.00 0.00 C ATOM 0 H THR A 4 -14.296 -1.279 8.765 1.00 0.00 H new ATOM 0 HA THR A 4 -13.364 -3.619 10.293 1.00 0.00 H new ATOM 0 HB THR A 4 -14.911 -4.725 8.313 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.737 -2.425 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.512 -5.274 10.103 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.828 -5.440 10.656 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.786 -4.019 11.135 1.00 0.00 H new ATOM 49 N ALA A 5 -11.551 -3.401 8.544 1.00 0.00 N ATOM 50 CA ALA A 5 -10.520 -3.553 7.529 1.00 0.00 C ATOM 51 C ALA A 5 -10.154 -5.020 7.346 1.00 0.00 C ATOM 52 O ALA A 5 -9.436 -5.598 8.161 1.00 0.00 O ATOM 53 CB ALA A 5 -9.290 -2.732 7.888 1.00 0.00 C ATOM 0 H ALA A 5 -11.196 -3.307 9.496 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.915 -3.182 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.530 -2.859 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.563 -1.679 7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.894 -3.069 8.846 1.00 0.00 H new ATOM 59 N THR A 6 -10.668 -5.621 6.285 1.00 0.00 N ATOM 60 CA THR A 6 -10.399 -7.019 5.990 1.00 0.00 C ATOM 61 C THR A 6 -9.402 -7.148 4.842 1.00 0.00 C ATOM 62 O THR A 6 -9.778 -7.087 3.669 1.00 0.00 O ATOM 63 CB THR A 6 -11.695 -7.772 5.630 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.585 -6.899 4.922 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.386 -8.296 6.879 1.00 0.00 C ATOM 0 H THR A 6 -11.277 -5.159 5.610 1.00 0.00 H new ATOM 0 HA THR A 6 -9.972 -7.465 6.888 1.00 0.00 H new ATOM 0 HB THR A 6 -11.431 -8.620 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.084 -6.405 4.240 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.297 -8.823 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.719 -8.980 7.404 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.638 -7.461 7.533 1.00 0.00 H new ATOM 73 N VAL A 7 -8.133 -7.315 5.177 1.00 0.00 N ATOM 74 CA VAL A 7 -7.095 -7.441 4.166 1.00 0.00 C ATOM 75 C VAL A 7 -6.490 -8.840 4.172 1.00 0.00 C ATOM 76 O VAL A 7 -6.461 -9.510 5.202 1.00 0.00 O ATOM 77 CB VAL A 7 -5.972 -6.398 4.371 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.488 -4.992 4.104 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.383 -6.495 5.775 1.00 0.00 C ATOM 0 H VAL A 7 -7.797 -7.366 6.139 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.570 -7.259 3.202 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.179 -6.615 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.682 -4.274 4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.847 -4.925 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.305 -4.768 4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.596 -5.750 5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.166 -6.314 6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.966 -7.491 5.927 1.00 0.00 H new ATOM 89 N THR A 8 -6.027 -9.283 3.016 1.00 0.00 N ATOM 90 CA THR A 8 -5.416 -10.597 2.890 1.00 0.00 C ATOM 91 C THR A 8 -3.907 -10.472 2.668 1.00 0.00 C ATOM 92 O THR A 8 -3.462 -10.153 1.565 1.00 0.00 O ATOM 93 CB THR A 8 -6.045 -11.381 1.724 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.477 -11.259 1.770 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.652 -12.852 1.779 1.00 0.00 C ATOM 0 H THR A 8 -6.062 -8.750 2.147 1.00 0.00 H new ATOM 0 HA THR A 8 -5.595 -11.139 3.819 1.00 0.00 H new ATOM 0 HB THR A 8 -5.672 -10.961 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.872 -11.758 1.025 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.110 -13.382 0.944 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.568 -12.942 1.715 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.997 -13.286 2.717 1.00 0.00 H new ATOM 103 N PRO A 9 -3.106 -10.695 3.725 1.00 0.00 N ATOM 104 CA PRO A 9 -1.641 -10.610 3.652 1.00 0.00 C ATOM 105 C PRO A 9 -1.047 -11.685 2.747 1.00 0.00 C ATOM 106 O PRO A 9 -1.518 -12.821 2.723 1.00 0.00 O ATOM 107 CB PRO A 9 -1.181 -10.825 5.101 1.00 0.00 C ATOM 108 CG PRO A 9 -2.400 -10.636 5.939 1.00 0.00 C ATOM 109 CD PRO A 9 -3.564 -11.036 5.079 1.00 0.00 C ATOM 0 HA PRO A 9 -1.316 -9.659 3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.763 -11.823 5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.402 -10.113 5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.352 -11.248 6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.493 -9.599 6.263 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.790 -12.098 5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.470 -10.493 5.348 1.00 0.00 H new ATOM 117 N SER A 10 -0.006 -11.324 2.008 1.00 0.00 N ATOM 118 CA SER A 10 0.652 -12.251 1.097 1.00 0.00 C ATOM 119 C SER A 10 1.830 -12.959 1.769 1.00 0.00 C ATOM 120 O SER A 10 2.667 -13.565 1.097 1.00 0.00 O ATOM 121 CB SER A 10 1.124 -11.488 -0.138 1.00 0.00 C ATOM 122 OG SER A 10 1.341 -10.122 0.176 1.00 0.00 O ATOM 0 H SER A 10 0.403 -10.390 2.022 1.00 0.00 H new ATOM 0 HA SER A 10 -0.064 -13.019 0.805 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.045 -11.931 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.381 -11.572 -0.931 1.00 0.00 H new ATOM 0 HG SER A 10 1.793 -9.682 -0.574 1.00 0.00 H new ATOM 128 N SER A 11 1.894 -12.871 3.092 1.00 0.00 N ATOM 129 CA SER A 11 2.960 -13.502 3.856 1.00 0.00 C ATOM 130 C SER A 11 2.945 -15.017 3.663 1.00 0.00 C ATOM 131 O SER A 11 1.975 -15.692 4.014 1.00 0.00 O ATOM 132 CB SER A 11 2.803 -13.151 5.333 1.00 0.00 C ATOM 133 OG SER A 11 2.512 -11.772 5.494 1.00 0.00 O ATOM 0 H SER A 11 1.215 -12.365 3.660 1.00 0.00 H new ATOM 0 HA SER A 11 3.919 -13.129 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.004 -13.750 5.771 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.718 -13.399 5.870 1.00 0.00 H new ATOM 0 HG SER A 11 2.413 -11.568 6.447 1.00 0.00 H new ATOM 139 N GLY A 12 4.021 -15.537 3.093 1.00 0.00 N ATOM 140 CA GLY A 12 4.123 -16.960 2.854 1.00 0.00 C ATOM 141 C GLY A 12 4.131 -17.289 1.376 1.00 0.00 C ATOM 142 O GLY A 12 4.433 -18.412 0.986 1.00 0.00 O ATOM 0 H GLY A 12 4.830 -14.994 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.035 -17.340 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.287 -17.469 3.334 1.00 0.00 H new ATOM 146 N LEU A 13 3.804 -16.303 0.551 1.00 0.00 N ATOM 147 CA LEU A 13 3.771 -16.493 -0.892 1.00 0.00 C ATOM 148 C LEU A 13 5.026 -15.904 -1.537 1.00 0.00 C ATOM 149 O LEU A 13 5.980 -15.552 -0.843 1.00 0.00 O ATOM 150 CB LEU A 13 2.499 -15.858 -1.460 1.00 0.00 C ATOM 151 CG LEU A 13 1.201 -16.555 -1.045 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.066 -15.555 -0.918 1.00 0.00 C ATOM 153 CD2 LEU A 13 0.837 -17.632 -2.050 1.00 0.00 C ATOM 0 H LEU A 13 3.557 -15.362 0.858 1.00 0.00 H new ATOM 0 HA LEU A 13 3.757 -17.559 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.455 -14.816 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.564 -15.856 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 13 1.361 -17.018 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.845 -16.075 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.320 -14.810 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.093 -15.061 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.088 -18.119 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.700 -17.181 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.637 -18.370 -2.098 1.00 0.00 H new ATOM 165 N SER A 14 5.035 -15.813 -2.857 1.00 0.00 N ATOM 166 CA SER A 14 6.182 -15.278 -3.576 1.00 0.00 C ATOM 167 C SER A 14 5.848 -13.918 -4.185 1.00 0.00 C ATOM 168 O SER A 14 4.801 -13.338 -3.894 1.00 0.00 O ATOM 169 CB SER A 14 6.607 -16.255 -4.675 1.00 0.00 C ATOM 170 OG SER A 14 6.202 -17.581 -4.366 1.00 0.00 O ATOM 0 H SER A 14 4.260 -16.103 -3.454 1.00 0.00 H new ATOM 0 HA SER A 14 7.005 -15.148 -2.873 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.170 -15.950 -5.626 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.690 -16.221 -4.797 1.00 0.00 H new ATOM 0 HG SER A 14 6.484 -18.185 -5.084 1.00 0.00 H new ATOM 176 N ASP A 15 6.742 -13.408 -5.022 1.00 0.00 N ATOM 177 CA ASP A 15 6.527 -12.126 -5.675 1.00 0.00 C ATOM 178 C ASP A 15 5.565 -12.298 -6.846 1.00 0.00 C ATOM 179 O ASP A 15 5.487 -13.370 -7.453 1.00 0.00 O ATOM 180 CB ASP A 15 7.853 -11.522 -6.152 1.00 0.00 C ATOM 181 CG ASP A 15 8.485 -12.311 -7.277 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.262 -13.245 -6.982 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.218 -12.000 -8.457 1.00 0.00 O ATOM 0 H ASP A 15 7.622 -13.863 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 15 6.089 -11.438 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.682 -10.498 -6.484 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.548 -11.474 -5.313 1.00 0.00 H new ATOM 188 N GLY A 16 4.820 -11.244 -7.143 1.00 0.00 N ATOM 189 CA GLY A 16 3.854 -11.297 -8.222 1.00 0.00 C ATOM 190 C GLY A 16 2.475 -11.636 -7.704 1.00 0.00 C ATOM 191 O GLY A 16 1.501 -11.653 -8.457 1.00 0.00 O ATOM 0 H GLY A 16 4.867 -10.350 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.826 -10.336 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.164 -12.042 -8.955 1.00 0.00 H new ATOM 195 N THR A 17 2.401 -11.903 -6.404 1.00 0.00 N ATOM 196 CA THR A 17 1.147 -12.244 -5.754 1.00 0.00 C ATOM 197 C THR A 17 0.246 -11.016 -5.637 1.00 0.00 C ATOM 198 O THR A 17 0.717 -9.901 -5.391 1.00 0.00 O ATOM 199 CB THR A 17 1.403 -12.846 -4.355 1.00 0.00 C ATOM 200 OG1 THR A 17 2.308 -13.953 -4.469 1.00 0.00 O ATOM 201 CG2 THR A 17 0.108 -13.319 -3.706 1.00 0.00 C ATOM 0 H THR A 17 3.205 -11.888 -5.777 1.00 0.00 H new ATOM 0 HA THR A 17 0.643 -12.989 -6.369 1.00 0.00 H new ATOM 0 HB THR A 17 1.835 -12.068 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.115 -13.771 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.325 -13.737 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.575 -12.476 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.354 -14.083 -4.331 1.00 0.00 H new ATOM 209 N VAL A 18 -1.047 -11.230 -5.822 1.00 0.00 N ATOM 210 CA VAL A 18 -2.023 -10.160 -5.755 1.00 0.00 C ATOM 211 C VAL A 18 -2.609 -10.036 -4.353 1.00 0.00 C ATOM 212 O VAL A 18 -3.329 -10.917 -3.887 1.00 0.00 O ATOM 213 CB VAL A 18 -3.165 -10.392 -6.764 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.112 -9.208 -6.784 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.609 -10.659 -8.155 1.00 0.00 C ATOM 0 H VAL A 18 -1.446 -12.147 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.505 -9.235 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.725 -11.271 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.910 -9.393 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.542 -9.069 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.566 -8.310 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.432 -10.820 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.020 -9.802 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.976 -11.546 -8.130 1.00 0.00 H new ATOM 225 N VAL A 19 -2.285 -8.939 -3.686 1.00 0.00 N ATOM 226 CA VAL A 19 -2.780 -8.672 -2.344 1.00 0.00 C ATOM 227 C VAL A 19 -4.181 -8.077 -2.422 1.00 0.00 C ATOM 228 O VAL A 19 -4.427 -7.165 -3.213 1.00 0.00 O ATOM 229 CB VAL A 19 -1.858 -7.688 -1.591 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.261 -7.577 -0.127 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.402 -8.112 -1.719 1.00 0.00 C ATOM 0 H VAL A 19 -1.674 -8.211 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.800 -9.616 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.969 -6.704 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.597 -6.878 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.287 -7.217 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.188 -8.556 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.231 -7.406 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.275 -9.108 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.118 -8.126 -2.771 1.00 0.00 H new ATOM 241 N LYS A 20 -5.098 -8.596 -1.618 1.00 0.00 N ATOM 242 CA LYS A 20 -6.466 -8.103 -1.619 1.00 0.00 C ATOM 243 C LYS A 20 -6.706 -7.157 -0.451 1.00 0.00 C ATOM 244 O LYS A 20 -6.487 -7.513 0.711 1.00 0.00 O ATOM 245 CB LYS A 20 -7.473 -9.254 -1.562 1.00 0.00 C ATOM 246 CG LYS A 20 -8.918 -8.777 -1.522 1.00 0.00 C ATOM 247 CD LYS A 20 -9.896 -9.932 -1.424 1.00 0.00 C ATOM 248 CE LYS A 20 -9.962 -10.716 -2.722 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.897 -11.863 -2.624 1.00 0.00 N ATOM 0 H LYS A 20 -4.920 -9.355 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.611 -7.559 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.332 -9.897 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.272 -9.862 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.056 -8.112 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.133 -8.196 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.598 -10.595 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.887 -9.551 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.279 -10.056 -3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.967 -11.079 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.915 -12.374 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.580 -12.505 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.852 -11.515 -2.404 1.00 0.00 H new ATOM 263 N VAL A 21 -7.152 -5.955 -0.770 1.00 0.00 N ATOM 264 CA VAL A 21 -7.443 -4.953 0.238 1.00 0.00 C ATOM 265 C VAL A 21 -8.927 -4.599 0.205 1.00 0.00 C ATOM 266 O VAL A 21 -9.401 -3.990 -0.752 1.00 0.00 O ATOM 267 CB VAL A 21 -6.593 -3.683 0.020 1.00 0.00 C ATOM 268 CG1 VAL A 21 -7.070 -2.543 0.908 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.122 -3.975 0.278 1.00 0.00 C ATOM 0 H VAL A 21 -7.321 -5.648 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.191 -5.367 1.214 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.712 -3.375 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.452 -1.662 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.109 -2.310 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.991 -2.839 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.538 -3.068 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.993 -4.315 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.780 -4.751 -0.406 1.00 0.00 H new ATOM 279 N ALA A 22 -9.658 -5.009 1.232 1.00 0.00 N ATOM 280 CA ALA A 22 -11.084 -4.728 1.312 1.00 0.00 C ATOM 281 C ALA A 22 -11.429 -4.035 2.625 1.00 0.00 C ATOM 282 O ALA A 22 -11.526 -4.675 3.673 1.00 0.00 O ATOM 283 CB ALA A 22 -11.889 -6.010 1.157 1.00 0.00 C ATOM 0 H ALA A 22 -9.287 -5.537 2.021 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.344 -4.055 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.953 -5.781 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.671 -6.462 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.620 -6.707 1.951 1.00 0.00 H new ATOM 289 N GLY A 23 -11.600 -2.725 2.563 1.00 0.00 N ATOM 290 CA GLY A 23 -11.932 -1.962 3.749 1.00 0.00 C ATOM 291 C GLY A 23 -13.398 -1.581 3.790 1.00 0.00 C ATOM 292 O GLY A 23 -13.909 -0.963 2.855 1.00 0.00 O ATOM 0 H GLY A 23 -11.515 -2.173 1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.685 -2.545 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.322 -1.059 3.781 1.00 0.00 H new ATOM 296 N ALA A 24 -14.079 -1.969 4.857 1.00 0.00 N ATOM 297 CA ALA A 24 -15.491 -1.656 5.019 1.00 0.00 C ATOM 298 C ALA A 24 -15.684 -0.720 6.205 1.00 0.00 C ATOM 299 O ALA A 24 -14.987 -0.842 7.217 1.00 0.00 O ATOM 300 CB ALA A 24 -16.298 -2.931 5.208 1.00 0.00 C ATOM 0 H ALA A 24 -13.675 -2.503 5.626 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.847 -1.156 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.352 -2.680 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.175 -3.572 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.947 -3.456 6.097 1.00 0.00 H new ATOM 306 N GLY A 25 -16.628 0.201 6.086 1.00 0.00 N ATOM 307 CA GLY A 25 -16.871 1.145 7.156 1.00 0.00 C ATOM 308 C GLY A 25 -15.928 2.324 7.074 1.00 0.00 C ATOM 309 O GLY A 25 -15.353 2.747 8.078 1.00 0.00 O ATOM 0 H GLY A 25 -17.229 0.312 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.901 1.497 7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.750 0.647 8.118 1.00 0.00 H new ATOM 313 N LEU A 26 -15.760 2.839 5.867 1.00 0.00 N ATOM 314 CA LEU A 26 -14.880 3.971 5.625 1.00 0.00 C ATOM 315 C LEU A 26 -15.692 5.193 5.197 1.00 0.00 C ATOM 316 O LEU A 26 -16.922 5.204 5.325 1.00 0.00 O ATOM 317 CB LEU A 26 -13.853 3.612 4.549 1.00 0.00 C ATOM 318 CG LEU A 26 -13.047 2.336 4.808 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.121 2.047 3.636 1.00 0.00 C ATOM 320 CD2 LEU A 26 -12.248 2.459 6.097 1.00 0.00 C ATOM 0 H LEU A 26 -16.227 2.487 5.031 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.354 4.212 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.372 3.506 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.158 4.445 4.442 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.744 1.505 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.555 1.137 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.712 1.916 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.432 2.881 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.682 1.542 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.560 3.301 6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.928 2.622 6.933 1.00 0.00 H new ATOM 332 N GLN A 27 -15.010 6.208 4.684 1.00 0.00 N ATOM 333 CA GLN A 27 -15.676 7.430 4.244 1.00 0.00 C ATOM 334 C GLN A 27 -15.992 7.350 2.755 1.00 0.00 C ATOM 335 O GLN A 27 -15.090 7.345 1.919 1.00 0.00 O ATOM 336 CB GLN A 27 -14.803 8.654 4.540 1.00 0.00 C ATOM 337 CG GLN A 27 -15.505 9.992 4.325 1.00 0.00 C ATOM 338 CD GLN A 27 -16.725 10.174 5.208 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.823 9.591 6.289 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.652 11.002 4.761 1.00 0.00 N ATOM 0 H GLN A 27 -13.997 6.211 4.562 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.611 7.534 4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.459 8.599 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.917 8.616 3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.800 10.800 4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.805 10.074 3.280 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.531 11.464 3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.489 11.179 5.317 1.00 0.00 H new ATOM 349 N ALA A 28 -17.269 7.278 2.432 1.00 0.00 N ATOM 350 CA ALA A 28 -17.711 7.180 1.048 1.00 0.00 C ATOM 351 C ALA A 28 -17.309 8.405 0.231 1.00 0.00 C ATOM 352 O ALA A 28 -17.494 9.541 0.665 1.00 0.00 O ATOM 353 CB ALA A 28 -19.215 6.987 0.996 1.00 0.00 C ATOM 0 H ALA A 28 -18.027 7.285 3.114 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.217 6.315 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.537 6.915 -0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.483 6.071 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.707 7.836 1.470 1.00 0.00 H new ATOM 359 N GLY A 29 -16.752 8.167 -0.955 1.00 0.00 N ATOM 360 CA GLY A 29 -16.356 9.260 -1.823 1.00 0.00 C ATOM 361 C GLY A 29 -14.897 9.657 -1.688 1.00 0.00 C ATOM 362 O GLY A 29 -14.463 10.619 -2.318 1.00 0.00 O ATOM 0 H GLY A 29 -16.569 7.236 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.551 8.978 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.980 10.127 -1.606 1.00 0.00 H new ATOM 366 N THR A 30 -14.132 8.935 -0.883 1.00 0.00 N ATOM 367 CA THR A 30 -12.723 9.268 -0.705 1.00 0.00 C ATOM 368 C THR A 30 -11.819 8.224 -1.359 1.00 0.00 C ATOM 369 O THR A 30 -12.098 7.026 -1.299 1.00 0.00 O ATOM 370 CB THR A 30 -12.356 9.408 0.787 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.713 8.219 1.498 1.00 0.00 O ATOM 372 CG2 THR A 30 -13.064 10.603 1.411 1.00 0.00 C ATOM 0 H THR A 30 -14.454 8.127 -0.350 1.00 0.00 H new ATOM 0 HA THR A 30 -12.563 10.229 -1.193 1.00 0.00 H new ATOM 0 HB THR A 30 -11.279 9.563 0.855 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.667 8.244 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.789 10.680 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.768 11.514 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.143 10.472 1.327 1.00 0.00 H new ATOM 380 N ALA A 31 -10.752 8.694 -1.998 1.00 0.00 N ATOM 381 CA ALA A 31 -9.799 7.815 -2.661 1.00 0.00 C ATOM 382 C ALA A 31 -8.655 7.449 -1.721 1.00 0.00 C ATOM 383 O ALA A 31 -8.101 8.312 -1.036 1.00 0.00 O ATOM 384 CB ALA A 31 -9.260 8.478 -3.921 1.00 0.00 C ATOM 0 H ALA A 31 -10.526 9.686 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.316 6.897 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.549 7.811 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.084 8.689 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.761 9.410 -3.657 1.00 0.00 H new ATOM 390 N TYR A 32 -8.304 6.173 -1.690 1.00 0.00 N ATOM 391 CA TYR A 32 -7.232 5.699 -0.829 1.00 0.00 C ATOM 392 C TYR A 32 -6.038 5.242 -1.647 1.00 0.00 C ATOM 393 O TYR A 32 -6.190 4.578 -2.674 1.00 0.00 O ATOM 394 CB TYR A 32 -7.728 4.555 0.056 1.00 0.00 C ATOM 395 CG TYR A 32 -8.984 4.894 0.823 1.00 0.00 C ATOM 396 CD1 TYR A 32 -8.948 5.786 1.886 1.00 0.00 C ATOM 397 CD2 TYR A 32 -10.205 4.335 0.477 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.094 6.112 2.583 1.00 0.00 C ATOM 399 CE2 TYR A 32 -11.355 4.652 1.171 1.00 0.00 C ATOM 400 CZ TYR A 32 -11.295 5.543 2.223 1.00 0.00 C ATOM 401 OH TYR A 32 -12.439 5.875 2.909 1.00 0.00 O ATOM 0 H TYR A 32 -8.747 5.446 -2.252 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.917 6.528 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.915 3.679 -0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.942 4.283 0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.007 6.233 2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.257 3.641 -0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.049 6.810 3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.298 4.205 0.892 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.778 6.735 2.584 1.00 0.00 H new ATOM 411 N ASP A 33 -4.856 5.611 -1.184 1.00 0.00 N ATOM 412 CA ASP A 33 -3.617 5.239 -1.845 1.00 0.00 C ATOM 413 C ASP A 33 -3.034 4.013 -1.163 1.00 0.00 C ATOM 414 O ASP A 33 -2.561 4.089 -0.025 1.00 0.00 O ATOM 415 CB ASP A 33 -2.605 6.386 -1.802 1.00 0.00 C ATOM 416 CG ASP A 33 -2.884 7.463 -2.836 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.387 7.345 -3.977 1.00 0.00 O ATOM 418 OD2 ASP A 33 -3.586 8.444 -2.510 1.00 0.00 O ATOM 0 H ASP A 33 -4.728 6.174 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.833 5.016 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.613 6.833 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.604 5.986 -1.963 1.00 0.00 H new ATOM 423 N VAL A 34 -3.103 2.880 -1.843 1.00 0.00 N ATOM 424 CA VAL A 34 -2.590 1.632 -1.299 1.00 0.00 C ATOM 425 C VAL A 34 -1.547 1.031 -2.230 1.00 0.00 C ATOM 426 O VAL A 34 -1.827 0.768 -3.403 1.00 0.00 O ATOM 427 CB VAL A 34 -3.721 0.602 -1.071 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.220 -0.563 -0.236 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.935 1.250 -0.416 1.00 0.00 C ATOM 0 H VAL A 34 -3.510 2.798 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.133 1.865 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.031 0.223 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.029 -1.278 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.395 -1.053 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.876 -0.196 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.713 0.500 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.648 1.669 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.314 2.045 -1.058 1.00 0.00 H new ATOM 439 N GLY A 35 -0.341 0.839 -1.718 1.00 0.00 N ATOM 440 CA GLY A 35 0.717 0.261 -2.516 1.00 0.00 C ATOM 441 C GLY A 35 1.679 -0.546 -1.676 1.00 0.00 C ATOM 442 O GLY A 35 1.570 -0.568 -0.450 1.00 0.00 O ATOM 0 H GLY A 35 -0.077 1.074 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.284 -0.377 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.260 1.055 -3.029 1.00 0.00 H new ATOM 446 N GLN A 36 2.613 -1.218 -2.329 1.00 0.00 N ATOM 447 CA GLN A 36 3.603 -2.016 -1.622 1.00 0.00 C ATOM 448 C GLN A 36 4.780 -1.133 -1.232 1.00 0.00 C ATOM 449 O GLN A 36 5.471 -0.588 -2.090 1.00 0.00 O ATOM 450 CB GLN A 36 4.076 -3.200 -2.477 1.00 0.00 C ATOM 451 CG GLN A 36 4.427 -2.828 -3.909 1.00 0.00 C ATOM 452 CD GLN A 36 5.491 -3.725 -4.512 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.462 -4.027 -5.702 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.452 -4.145 -3.701 1.00 0.00 N ATOM 0 H GLN A 36 2.707 -1.227 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 36 3.144 -2.425 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.949 -3.650 -2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.295 -3.960 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.527 -2.878 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.773 -1.795 -3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.444 -3.874 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.199 -4.739 -4.060 1.00 0.00 H new ATOM 463 N CYS A 37 4.993 -0.979 0.061 1.00 0.00 N ATOM 464 CA CYS A 37 6.072 -0.142 0.559 1.00 0.00 C ATOM 465 C CYS A 37 7.089 -0.970 1.330 1.00 0.00 C ATOM 466 O CYS A 37 6.820 -2.115 1.694 1.00 0.00 O ATOM 467 CB CYS A 37 5.505 0.954 1.461 1.00 0.00 C ATOM 468 SG CYS A 37 3.799 1.447 1.051 1.00 0.00 S ATOM 0 H CYS A 37 4.433 -1.423 0.788 1.00 0.00 H new ATOM 0 HA CYS A 37 6.575 0.314 -0.294 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.534 0.610 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.150 1.831 1.399 1.00 0.00 H new ATOM 473 N ALA A 38 8.255 -0.391 1.571 1.00 0.00 N ATOM 474 CA ALA A 38 9.307 -1.071 2.309 1.00 0.00 C ATOM 475 C ALA A 38 10.294 -0.058 2.869 1.00 0.00 C ATOM 476 O ALA A 38 10.119 1.150 2.688 1.00 0.00 O ATOM 477 CB ALA A 38 10.022 -2.080 1.421 1.00 0.00 C ATOM 0 H ALA A 38 8.497 0.551 1.265 1.00 0.00 H new ATOM 0 HA ALA A 38 8.853 -1.612 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.805 -2.577 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.307 -2.821 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.466 -1.565 0.569 1.00 0.00 H new ATOM 483 N TRP A 39 11.320 -0.557 3.548 1.00 0.00 N ATOM 484 CA TRP A 39 12.345 0.291 4.145 1.00 0.00 C ATOM 485 C TRP A 39 13.236 0.884 3.058 1.00 0.00 C ATOM 486 O TRP A 39 14.152 0.225 2.566 1.00 0.00 O ATOM 487 CB TRP A 39 13.190 -0.532 5.120 1.00 0.00 C ATOM 488 CG TRP A 39 13.520 0.178 6.396 1.00 0.00 C ATOM 489 CD1 TRP A 39 12.639 0.630 7.335 1.00 0.00 C ATOM 490 CD2 TRP A 39 14.828 0.508 6.878 1.00 0.00 C ATOM 491 NE1 TRP A 39 13.319 1.223 8.371 1.00 0.00 N ATOM 492 CE2 TRP A 39 14.664 1.160 8.114 1.00 0.00 C ATOM 493 CE3 TRP A 39 16.125 0.313 6.383 1.00 0.00 C ATOM 494 CZ2 TRP A 39 15.746 1.617 8.861 1.00 0.00 C ATOM 495 CZ3 TRP A 39 17.196 0.770 7.126 1.00 0.00 C ATOM 496 CH2 TRP A 39 17.000 1.415 8.355 1.00 0.00 C ATOM 0 H TRP A 39 11.465 -1.555 3.700 1.00 0.00 H new ATOM 0 HA TRP A 39 11.862 1.105 4.685 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.657 -1.453 5.357 1.00 0.00 H new ATOM 0 HB3 TRP A 39 14.118 -0.819 4.626 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.565 0.535 7.273 1.00 0.00 H new ATOM 0 HE1 TRP A 39 12.892 1.642 9.197 1.00 0.00 H new ATOM 0 HE3 TRP A 39 16.284 -0.185 5.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 15.600 2.114 9.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 18.200 0.628 6.754 1.00 0.00 H new ATOM 0 HH2 TRP A 39 17.857 1.760 8.914 1.00 0.00 H new ATOM 507 N VAL A 40 12.961 2.126 2.683 1.00 0.00 N ATOM 508 CA VAL A 40 13.731 2.795 1.645 1.00 0.00 C ATOM 509 C VAL A 40 14.876 3.603 2.249 1.00 0.00 C ATOM 510 O VAL A 40 15.884 3.865 1.586 1.00 0.00 O ATOM 511 CB VAL A 40 12.829 3.710 0.783 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.340 4.920 1.569 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.551 4.143 -0.485 1.00 0.00 C ATOM 0 H VAL A 40 12.211 2.690 3.082 1.00 0.00 H new ATOM 0 HA VAL A 40 14.153 2.024 1.001 1.00 0.00 H new ATOM 0 HB VAL A 40 11.952 3.129 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.710 5.538 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.764 4.585 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.196 5.503 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.897 4.785 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.455 4.691 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.819 3.263 -1.070 1.00 0.00 H new ATOM 523 N ASP A 41 14.725 3.973 3.514 1.00 0.00 N ATOM 524 CA ASP A 41 15.738 4.744 4.219 1.00 0.00 C ATOM 525 C ASP A 41 15.632 4.481 5.712 1.00 0.00 C ATOM 526 O ASP A 41 14.764 3.728 6.149 1.00 0.00 O ATOM 527 CB ASP A 41 15.577 6.242 3.941 1.00 0.00 C ATOM 528 CG ASP A 41 16.901 6.976 3.944 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.452 7.219 5.035 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.399 7.307 2.848 1.00 0.00 O ATOM 0 H ASP A 41 13.904 3.749 4.076 1.00 0.00 H new ATOM 0 HA ASP A 41 16.720 4.434 3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.091 6.379 2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.921 6.680 4.693 1.00 0.00 H new ATOM 535 N THR A 42 16.497 5.116 6.488 1.00 0.00 N ATOM 536 CA THR A 42 16.510 4.946 7.932 1.00 0.00 C ATOM 537 C THR A 42 15.221 5.470 8.567 1.00 0.00 C ATOM 538 O THR A 42 15.087 6.664 8.834 1.00 0.00 O ATOM 539 CB THR A 42 17.715 5.668 8.555 1.00 0.00 C ATOM 540 OG1 THR A 42 18.595 6.127 7.515 1.00 0.00 O ATOM 541 CG2 THR A 42 18.467 4.740 9.497 1.00 0.00 C ATOM 0 H THR A 42 17.206 5.760 6.137 1.00 0.00 H new ATOM 0 HA THR A 42 16.588 3.877 8.130 1.00 0.00 H new ATOM 0 HB THR A 42 17.353 6.522 9.127 1.00 0.00 H new ATOM 0 HG1 THR A 42 19.361 6.588 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 42 19.317 5.270 9.928 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.800 4.413 10.295 1.00 0.00 H new ATOM 0 HG23 THR A 42 18.824 3.871 8.944 1.00 0.00 H new ATOM 549 N GLY A 43 14.274 4.565 8.788 1.00 0.00 N ATOM 550 CA GLY A 43 13.006 4.934 9.389 1.00 0.00 C ATOM 551 C GLY A 43 12.055 5.563 8.393 1.00 0.00 C ATOM 552 O GLY A 43 11.066 6.190 8.778 1.00 0.00 O ATOM 0 H GLY A 43 14.363 3.575 8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.541 4.048 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.184 5.632 10.207 1.00 0.00 H new ATOM 556 N VAL A 44 12.350 5.394 7.110 1.00 0.00 N ATOM 557 CA VAL A 44 11.517 5.956 6.055 1.00 0.00 C ATOM 558 C VAL A 44 10.992 4.853 5.139 1.00 0.00 C ATOM 559 O VAL A 44 11.743 3.967 4.723 1.00 0.00 O ATOM 560 CB VAL A 44 12.287 6.995 5.207 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.358 7.702 4.229 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.999 8.005 6.095 1.00 0.00 C ATOM 0 H VAL A 44 13.160 4.872 6.775 1.00 0.00 H new ATOM 0 HA VAL A 44 10.682 6.458 6.543 1.00 0.00 H new ATOM 0 HB VAL A 44 13.040 6.458 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.927 8.427 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.909 6.969 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.572 8.217 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.533 8.724 5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.267 8.529 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.708 7.486 6.740 1.00 0.00 H new ATOM 572 N LEU A 45 9.705 4.915 4.831 1.00 0.00 N ATOM 573 CA LEU A 45 9.069 3.931 3.972 1.00 0.00 C ATOM 574 C LEU A 45 8.604 4.586 2.680 1.00 0.00 C ATOM 575 O LEU A 45 8.285 5.772 2.664 1.00 0.00 O ATOM 576 CB LEU A 45 7.875 3.299 4.690 1.00 0.00 C ATOM 577 CG LEU A 45 8.155 2.816 6.115 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.853 2.583 6.867 1.00 0.00 C ATOM 579 CD2 LEU A 45 8.989 1.541 6.087 1.00 0.00 C ATOM 0 H LEU A 45 9.077 5.645 5.168 1.00 0.00 H new ATOM 0 HA LEU A 45 9.795 3.153 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.064 4.026 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.522 2.454 4.099 1.00 0.00 H new ATOM 0 HG LEU A 45 8.719 3.589 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.073 2.240 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.289 3.514 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.263 1.828 6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.180 1.209 7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.447 0.764 5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.937 1.737 5.585 1.00 0.00 H new ATOM 591 N ALA A 46 8.585 3.818 1.604 1.00 0.00 N ATOM 592 CA ALA A 46 8.154 4.323 0.305 1.00 0.00 C ATOM 593 C ALA A 46 7.555 3.199 -0.529 1.00 0.00 C ATOM 594 O ALA A 46 7.984 2.049 -0.423 1.00 0.00 O ATOM 595 CB ALA A 46 9.315 4.974 -0.429 1.00 0.00 C ATOM 0 H ALA A 46 8.864 2.837 1.602 1.00 0.00 H new ATOM 0 HA ALA A 46 7.386 5.080 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.973 5.344 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.699 5.805 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.107 4.240 -0.581 1.00 0.00 H new ATOM 601 N CYS A 47 6.563 3.533 -1.344 1.00 0.00 N ATOM 602 CA CYS A 47 5.900 2.553 -2.200 1.00 0.00 C ATOM 603 C CYS A 47 5.960 3.004 -3.648 1.00 0.00 C ATOM 604 O CYS A 47 6.250 4.166 -3.922 1.00 0.00 O ATOM 605 CB CYS A 47 4.438 2.370 -1.779 1.00 0.00 C ATOM 606 SG CYS A 47 4.031 3.070 -0.146 1.00 0.00 S ATOM 0 H CYS A 47 6.197 4.481 -1.432 1.00 0.00 H new ATOM 0 HA CYS A 47 6.417 1.599 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.796 2.832 -2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.205 1.305 -1.773 1.00 0.00 H new ATOM 611 N ASN A 48 5.693 2.092 -4.570 1.00 0.00 N ATOM 612 CA ASN A 48 5.716 2.428 -5.984 1.00 0.00 C ATOM 613 C ASN A 48 4.301 2.691 -6.499 1.00 0.00 C ATOM 614 O ASN A 48 3.364 1.961 -6.178 1.00 0.00 O ATOM 615 CB ASN A 48 6.401 1.329 -6.814 1.00 0.00 C ATOM 616 CG ASN A 48 5.622 0.029 -6.895 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.882 -0.334 -5.984 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.802 -0.688 -7.993 1.00 0.00 N ATOM 0 H ASN A 48 5.459 1.120 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 48 6.301 3.341 -6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.566 1.703 -7.824 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.382 1.125 -6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.317 -1.578 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.426 -0.350 -8.726 1.00 0.00 H new ATOM 625 N PRO A 49 4.123 3.755 -7.297 1.00 0.00 N ATOM 626 CA PRO A 49 2.829 4.110 -7.856 1.00 0.00 C ATOM 627 C PRO A 49 2.548 3.383 -9.168 1.00 0.00 C ATOM 628 O PRO A 49 1.555 3.656 -9.845 1.00 0.00 O ATOM 629 CB PRO A 49 2.941 5.616 -8.086 1.00 0.00 C ATOM 630 CG PRO A 49 4.405 5.925 -8.157 1.00 0.00 C ATOM 631 CD PRO A 49 5.168 4.698 -7.716 1.00 0.00 C ATOM 0 HA PRO A 49 2.007 3.830 -7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.438 5.907 -9.008 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.466 6.169 -7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.686 6.203 -9.173 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.646 6.773 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.770 4.290 -8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.850 4.926 -6.897 1.00 0.00 H new ATOM 639 N ALA A 50 3.427 2.461 -9.525 1.00 0.00 N ATOM 640 CA ALA A 50 3.270 1.693 -10.748 1.00 0.00 C ATOM 641 C ALA A 50 2.291 0.542 -10.544 1.00 0.00 C ATOM 642 O ALA A 50 1.315 0.411 -11.280 1.00 0.00 O ATOM 643 CB ALA A 50 4.616 1.170 -11.223 1.00 0.00 C ATOM 0 H ALA A 50 4.259 2.226 -8.983 1.00 0.00 H new ATOM 0 HA ALA A 50 2.864 2.352 -11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.481 0.597 -12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.285 2.009 -11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.049 0.529 -10.455 1.00 0.00 H new ATOM 649 N ASP A 51 2.540 -0.277 -9.529 1.00 0.00 N ATOM 650 CA ASP A 51 1.682 -1.424 -9.242 1.00 0.00 C ATOM 651 C ASP A 51 0.597 -1.074 -8.233 1.00 0.00 C ATOM 652 O ASP A 51 -0.205 -1.926 -7.852 1.00 0.00 O ATOM 653 CB ASP A 51 2.509 -2.599 -8.720 1.00 0.00 C ATOM 654 CG ASP A 51 2.868 -3.580 -9.814 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.949 -4.182 -10.411 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.069 -3.756 -10.084 1.00 0.00 O ATOM 0 H ASP A 51 3.328 -0.170 -8.890 1.00 0.00 H new ATOM 0 HA ASP A 51 1.201 -1.709 -10.177 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.422 -2.222 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.949 -3.116 -7.941 1.00 0.00 H new ATOM 661 N PHE A 52 0.582 0.180 -7.795 1.00 0.00 N ATOM 662 CA PHE A 52 -0.414 0.638 -6.834 1.00 0.00 C ATOM 663 C PHE A 52 -1.766 0.827 -7.528 1.00 0.00 C ATOM 664 O PHE A 52 -1.824 1.072 -8.737 1.00 0.00 O ATOM 665 CB PHE A 52 0.059 1.931 -6.141 1.00 0.00 C ATOM 666 CG PHE A 52 -0.783 3.150 -6.414 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.617 3.874 -7.581 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.737 3.570 -5.499 1.00 0.00 C ATOM 669 CE1 PHE A 52 -1.385 4.990 -7.835 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.509 4.685 -5.748 1.00 0.00 C ATOM 671 CZ PHE A 52 -2.334 5.399 -6.916 1.00 0.00 C ATOM 0 H PHE A 52 1.246 0.896 -8.089 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.539 -0.119 -6.060 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.083 1.759 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.082 2.138 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.124 3.561 -8.302 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.877 3.018 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.246 5.545 -8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.251 5.000 -5.029 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.936 6.274 -7.112 1.00 0.00 H new ATOM 681 N SER A 53 -2.844 0.705 -6.769 1.00 0.00 N ATOM 682 CA SER A 53 -4.180 0.859 -7.322 1.00 0.00 C ATOM 683 C SER A 53 -4.956 1.937 -6.570 1.00 0.00 C ATOM 684 O SER A 53 -5.066 1.896 -5.344 1.00 0.00 O ATOM 685 CB SER A 53 -4.932 -0.473 -7.258 1.00 0.00 C ATOM 686 OG SER A 53 -4.139 -1.535 -7.771 1.00 0.00 O ATOM 0 H SER A 53 -2.820 0.500 -5.770 1.00 0.00 H new ATOM 0 HA SER A 53 -4.088 1.166 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.209 -0.688 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.858 -0.399 -7.828 1.00 0.00 H new ATOM 0 HG SER A 53 -4.401 -2.376 -7.342 1.00 0.00 H new ATOM 692 N SER A 54 -5.471 2.909 -7.309 1.00 0.00 N ATOM 693 CA SER A 54 -6.244 3.989 -6.720 1.00 0.00 C ATOM 694 C SER A 54 -7.712 3.590 -6.648 1.00 0.00 C ATOM 695 O SER A 54 -8.386 3.496 -7.674 1.00 0.00 O ATOM 696 CB SER A 54 -6.077 5.266 -7.548 1.00 0.00 C ATOM 697 OG SER A 54 -5.890 4.964 -8.927 1.00 0.00 O ATOM 0 H SER A 54 -5.366 2.970 -8.322 1.00 0.00 H new ATOM 0 HA SER A 54 -5.881 4.181 -5.710 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.956 5.899 -7.427 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.223 5.834 -7.178 1.00 0.00 H new ATOM 0 HG SER A 54 -6.588 4.344 -9.224 1.00 0.00 H new ATOM 703 N VAL A 55 -8.197 3.329 -5.443 1.00 0.00 N ATOM 704 CA VAL A 55 -9.584 2.931 -5.255 1.00 0.00 C ATOM 705 C VAL A 55 -10.320 3.926 -4.362 1.00 0.00 C ATOM 706 O VAL A 55 -9.748 4.479 -3.420 1.00 0.00 O ATOM 707 CB VAL A 55 -9.680 1.502 -4.665 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.064 1.437 -3.274 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.123 1.014 -4.642 1.00 0.00 C ATOM 0 H VAL A 55 -7.652 3.385 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.063 2.928 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.110 0.838 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.147 0.422 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.013 1.720 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.591 2.123 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.160 0.008 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.724 1.685 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.518 0.999 -5.658 1.00 0.00 H new ATOM 719 N THR A 56 -11.578 4.172 -4.688 1.00 0.00 N ATOM 720 CA THR A 56 -12.404 5.088 -3.921 1.00 0.00 C ATOM 721 C THR A 56 -13.496 4.312 -3.189 1.00 0.00 C ATOM 722 O THR A 56 -13.860 3.205 -3.596 1.00 0.00 O ATOM 723 CB THR A 56 -13.035 6.169 -4.831 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.732 7.146 -4.046 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.991 5.551 -5.839 1.00 0.00 C ATOM 0 H THR A 56 -12.052 3.746 -5.485 1.00 0.00 H new ATOM 0 HA THR A 56 -11.769 5.592 -3.192 1.00 0.00 H new ATOM 0 HB THR A 56 -12.224 6.655 -5.373 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.123 7.822 -4.638 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.418 6.335 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.450 4.842 -6.466 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.791 5.032 -5.311 1.00 0.00 H new ATOM 733 N ALA A 57 -13.993 4.876 -2.101 1.00 0.00 N ATOM 734 CA ALA A 57 -15.043 4.230 -1.327 1.00 0.00 C ATOM 735 C ALA A 57 -16.394 4.420 -1.996 1.00 0.00 C ATOM 736 O ALA A 57 -16.757 5.538 -2.376 1.00 0.00 O ATOM 737 CB ALA A 57 -15.074 4.769 0.092 1.00 0.00 C ATOM 0 H ALA A 57 -13.688 5.777 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.826 3.163 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.866 4.272 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.115 4.580 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.263 5.842 0.070 1.00 0.00 H new ATOM 743 N ASP A 58 -17.134 3.325 -2.131 1.00 0.00 N ATOM 744 CA ASP A 58 -18.451 3.355 -2.758 1.00 0.00 C ATOM 745 C ASP A 58 -19.483 3.964 -1.811 1.00 0.00 C ATOM 746 O ASP A 58 -19.149 4.367 -0.699 1.00 0.00 O ATOM 747 CB ASP A 58 -18.881 1.943 -3.181 1.00 0.00 C ATOM 748 CG ASP A 58 -19.478 1.131 -2.044 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.744 0.792 -1.093 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.687 0.819 -2.104 1.00 0.00 O ATOM 0 H ASP A 58 -16.842 2.401 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.390 3.979 -3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.611 2.019 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.018 1.413 -3.583 1.00 0.00 H new ATOM 755 N ALA A 59 -20.738 4.012 -2.252 1.00 0.00 N ATOM 756 CA ALA A 59 -21.826 4.585 -1.457 1.00 0.00 C ATOM 757 C ALA A 59 -22.006 3.865 -0.123 1.00 0.00 C ATOM 758 O ALA A 59 -22.465 4.459 0.856 1.00 0.00 O ATOM 759 CB ALA A 59 -23.125 4.551 -2.243 1.00 0.00 C ATOM 0 H ALA A 59 -21.030 3.658 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.557 5.619 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.926 4.980 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.011 5.129 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.372 3.519 -2.493 1.00 0.00 H new ATOM 765 N ASN A 60 -21.649 2.586 -0.081 1.00 0.00 N ATOM 766 CA ASN A 60 -21.774 1.799 1.140 1.00 0.00 C ATOM 767 C ASN A 60 -20.620 2.088 2.088 1.00 0.00 C ATOM 768 O ASN A 60 -20.590 1.595 3.215 1.00 0.00 O ATOM 769 CB ASN A 60 -21.820 0.302 0.819 1.00 0.00 C ATOM 770 CG ASN A 60 -23.158 -0.129 0.254 1.00 0.00 C ATOM 771 OD1 ASN A 60 -24.068 -0.502 0.997 1.00 0.00 O ATOM 772 ND2 ASN A 60 -23.291 -0.081 -1.064 1.00 0.00 N ATOM 0 H ASN A 60 -21.271 2.073 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.708 2.083 1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.033 0.063 0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.611 -0.267 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.171 -0.359 -1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.513 0.234 -1.644 1.00 0.00 H new ATOM 779 N GLY A 61 -19.669 2.890 1.629 1.00 0.00 N ATOM 780 CA GLY A 61 -18.532 3.237 2.452 1.00 0.00 C ATOM 781 C GLY A 61 -17.507 2.126 2.513 1.00 0.00 C ATOM 782 O GLY A 61 -16.916 1.877 3.561 1.00 0.00 O ATOM 0 H GLY A 61 -19.667 3.307 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.064 4.139 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.874 3.469 3.461 1.00 0.00 H new ATOM 786 N SER A 62 -17.307 1.444 1.399 1.00 0.00 N ATOM 787 CA SER A 62 -16.345 0.360 1.343 1.00 0.00 C ATOM 788 C SER A 62 -15.428 0.514 0.132 1.00 0.00 C ATOM 789 O SER A 62 -15.819 1.093 -0.884 1.00 0.00 O ATOM 790 CB SER A 62 -17.080 -0.979 1.304 1.00 0.00 C ATOM 791 OG SER A 62 -18.466 -0.794 1.051 1.00 0.00 O ATOM 0 H SER A 62 -17.798 1.622 0.523 1.00 0.00 H new ATOM 0 HA SER A 62 -15.722 0.392 2.237 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.647 -1.613 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.946 -1.499 2.253 1.00 0.00 H new ATOM 0 HG SER A 62 -18.594 -0.515 0.120 1.00 0.00 H new ATOM 797 N ALA A 63 -14.206 0.015 0.249 1.00 0.00 N ATOM 798 CA ALA A 63 -13.241 0.105 -0.836 1.00 0.00 C ATOM 799 C ALA A 63 -12.423 -1.175 -0.942 1.00 0.00 C ATOM 800 O ALA A 63 -11.752 -1.574 0.010 1.00 0.00 O ATOM 801 CB ALA A 63 -12.323 1.299 -0.631 1.00 0.00 C ATOM 0 H ALA A 63 -13.860 -0.456 1.085 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.790 0.239 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.607 1.352 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.916 2.214 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.787 1.188 0.312 1.00 0.00 H new ATOM 807 N SER A 64 -12.497 -1.823 -2.096 1.00 0.00 N ATOM 808 CA SER A 64 -11.761 -3.057 -2.330 1.00 0.00 C ATOM 809 C SER A 64 -10.885 -2.920 -3.570 1.00 0.00 C ATOM 810 O SER A 64 -11.330 -2.392 -4.590 1.00 0.00 O ATOM 811 CB SER A 64 -12.735 -4.226 -2.497 1.00 0.00 C ATOM 812 OG SER A 64 -13.801 -4.126 -1.565 1.00 0.00 O ATOM 0 H SER A 64 -13.061 -1.513 -2.887 1.00 0.00 H new ATOM 0 HA SER A 64 -11.121 -3.253 -1.470 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.132 -4.233 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.207 -5.169 -2.354 1.00 0.00 H new ATOM 0 HG SER A 64 -14.414 -4.880 -1.687 1.00 0.00 H new ATOM 818 N THR A 65 -9.648 -3.387 -3.480 1.00 0.00 N ATOM 819 CA THR A 65 -8.721 -3.304 -4.598 1.00 0.00 C ATOM 820 C THR A 65 -7.658 -4.402 -4.511 1.00 0.00 C ATOM 821 O THR A 65 -7.621 -5.167 -3.544 1.00 0.00 O ATOM 822 CB THR A 65 -8.051 -1.911 -4.659 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.458 -1.706 -5.947 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.996 -1.748 -3.572 1.00 0.00 C ATOM 0 H THR A 65 -9.264 -3.827 -2.644 1.00 0.00 H new ATOM 0 HA THR A 65 -9.293 -3.451 -5.514 1.00 0.00 H new ATOM 0 HB THR A 65 -8.826 -1.163 -4.491 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.472 -0.751 -6.165 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.547 -0.758 -3.646 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.461 -1.863 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.224 -2.507 -3.698 1.00 0.00 H new ATOM 832 N SER A 66 -6.801 -4.471 -5.521 1.00 0.00 N ATOM 833 CA SER A 66 -5.749 -5.472 -5.574 1.00 0.00 C ATOM 834 C SER A 66 -4.378 -4.812 -5.729 1.00 0.00 C ATOM 835 O SER A 66 -4.255 -3.772 -6.375 1.00 0.00 O ATOM 836 CB SER A 66 -6.004 -6.417 -6.747 1.00 0.00 C ATOM 837 OG SER A 66 -7.362 -6.828 -6.792 1.00 0.00 O ATOM 0 H SER A 66 -6.816 -3.838 -6.321 1.00 0.00 H new ATOM 0 HA SER A 66 -5.755 -6.035 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.741 -5.920 -7.681 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.360 -7.292 -6.659 1.00 0.00 H new ATOM 0 HG SER A 66 -7.496 -7.430 -7.553 1.00 0.00 H new ATOM 843 N LEU A 67 -3.356 -5.409 -5.128 1.00 0.00 N ATOM 844 CA LEU A 67 -1.996 -4.879 -5.207 1.00 0.00 C ATOM 845 C LEU A 67 -1.011 -5.975 -5.583 1.00 0.00 C ATOM 846 O LEU A 67 -0.968 -7.022 -4.940 1.00 0.00 O ATOM 847 CB LEU A 67 -1.572 -4.268 -3.864 1.00 0.00 C ATOM 848 CG LEU A 67 -2.016 -2.822 -3.612 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.895 -1.995 -4.879 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.441 -2.781 -3.082 1.00 0.00 C ATOM 0 H LEU A 67 -3.442 -6.264 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.989 -4.106 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.966 -4.893 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.485 -4.310 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.358 -2.392 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.215 -0.973 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.858 -1.991 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.525 -2.426 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.736 -1.746 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.113 -3.233 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.497 -3.334 -2.145 1.00 0.00 H new ATOM 862 N THR A 68 -0.224 -5.742 -6.619 1.00 0.00 N ATOM 863 CA THR A 68 0.759 -6.719 -7.049 1.00 0.00 C ATOM 864 C THR A 68 2.108 -6.437 -6.400 1.00 0.00 C ATOM 865 O THR A 68 2.816 -5.514 -6.792 1.00 0.00 O ATOM 866 CB THR A 68 0.914 -6.713 -8.580 1.00 0.00 C ATOM 867 OG1 THR A 68 0.150 -5.634 -9.142 1.00 0.00 O ATOM 868 CG2 THR A 68 0.457 -8.038 -9.177 1.00 0.00 C ATOM 0 H THR A 68 -0.247 -4.888 -7.176 1.00 0.00 H new ATOM 0 HA THR A 68 0.407 -7.703 -6.738 1.00 0.00 H new ATOM 0 HB THR A 68 1.968 -6.574 -8.819 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.706 -5.136 -9.777 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.576 -8.009 -10.260 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.059 -8.849 -8.767 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.592 -8.205 -8.932 1.00 0.00 H new ATOM 876 N VAL A 69 2.453 -7.228 -5.394 1.00 0.00 N ATOM 877 CA VAL A 69 3.706 -7.046 -4.679 1.00 0.00 C ATOM 878 C VAL A 69 4.887 -7.649 -5.443 1.00 0.00 C ATOM 879 O VAL A 69 4.946 -8.855 -5.695 1.00 0.00 O ATOM 880 CB VAL A 69 3.634 -7.632 -3.245 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.231 -9.103 -3.262 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.960 -7.442 -2.521 1.00 0.00 C ATOM 0 H VAL A 69 1.882 -8.002 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 69 3.869 -5.971 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 69 2.863 -7.087 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.191 -9.481 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.250 -9.206 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.964 -9.674 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.889 -7.860 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.751 -7.952 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.190 -6.379 -2.456 1.00 0.00 H new ATOM 892 N ARG A 70 5.810 -6.784 -5.837 1.00 0.00 N ATOM 893 CA ARG A 70 7.005 -7.206 -6.554 1.00 0.00 C ATOM 894 C ARG A 70 8.170 -7.313 -5.583 1.00 0.00 C ATOM 895 O ARG A 70 8.077 -6.852 -4.446 1.00 0.00 O ATOM 896 CB ARG A 70 7.365 -6.210 -7.660 1.00 0.00 C ATOM 897 CG ARG A 70 6.179 -5.746 -8.481 1.00 0.00 C ATOM 898 CD ARG A 70 5.533 -6.893 -9.231 1.00 0.00 C ATOM 899 NE ARG A 70 4.426 -6.428 -10.057 1.00 0.00 N ATOM 900 CZ ARG A 70 3.724 -7.202 -10.875 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.019 -8.490 -10.994 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.719 -6.680 -11.574 1.00 0.00 N ATOM 0 H ARG A 70 5.754 -5.779 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 70 6.804 -8.176 -7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.845 -5.341 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.097 -6.669 -8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.443 -5.279 -7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.503 -4.984 -9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.276 -7.385 -9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.172 -7.637 -8.521 1.00 0.00 H new ATOM 0 HE ARG A 70 4.174 -5.441 -10.003 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.788 -8.889 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.477 -9.081 -11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.492 -5.690 -11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.176 -7.270 -12.204 1.00 0.00 H new ATOM 916 N ARG A 71 9.262 -7.911 -6.031 1.00 0.00 N ATOM 917 CA ARG A 71 10.438 -8.051 -5.192 1.00 0.00 C ATOM 918 C ARG A 71 11.222 -6.747 -5.206 1.00 0.00 C ATOM 919 O ARG A 71 11.772 -6.330 -4.195 1.00 0.00 O ATOM 920 CB ARG A 71 11.317 -9.204 -5.672 1.00 0.00 C ATOM 921 CG ARG A 71 12.129 -9.851 -4.562 1.00 0.00 C ATOM 922 CD ARG A 71 11.278 -10.770 -3.699 1.00 0.00 C ATOM 923 NE ARG A 71 10.809 -11.942 -4.441 1.00 0.00 N ATOM 924 CZ ARG A 71 10.725 -13.169 -3.931 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.103 -13.408 -2.681 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.269 -14.159 -4.682 1.00 0.00 N ATOM 0 H ARG A 71 9.357 -8.305 -6.967 1.00 0.00 H new ATOM 0 HA ARG A 71 10.121 -8.275 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.687 -9.961 -6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.996 -8.837 -6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.951 -10.420 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.573 -9.076 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.858 -11.096 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.421 -10.216 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 71 10.528 -11.810 -5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.461 -12.648 -2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.035 -14.351 -2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.985 -13.979 -5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.202 -15.101 -4.298 1.00 0.00 H new ATOM 940 N SER A 72 11.254 -6.107 -6.363 1.00 0.00 N ATOM 941 CA SER A 72 11.946 -4.836 -6.522 1.00 0.00 C ATOM 942 C SER A 72 10.961 -3.798 -7.062 1.00 0.00 C ATOM 943 O SER A 72 10.224 -4.075 -8.011 1.00 0.00 O ATOM 944 CB SER A 72 13.132 -4.999 -7.475 1.00 0.00 C ATOM 945 OG SER A 72 13.780 -6.249 -7.280 1.00 0.00 O ATOM 0 H SER A 72 10.805 -6.449 -7.213 1.00 0.00 H new ATOM 0 HA SER A 72 12.329 -4.501 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.787 -4.922 -8.506 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.844 -4.189 -7.316 1.00 0.00 H new ATOM 0 HG SER A 72 14.107 -6.308 -6.358 1.00 0.00 H new ATOM 951 N PHE A 73 10.936 -2.616 -6.461 1.00 0.00 N ATOM 952 CA PHE A 73 10.010 -1.572 -6.887 1.00 0.00 C ATOM 953 C PHE A 73 10.592 -0.183 -6.657 1.00 0.00 C ATOM 954 O PHE A 73 11.639 -0.032 -6.028 1.00 0.00 O ATOM 955 CB PHE A 73 8.680 -1.714 -6.133 1.00 0.00 C ATOM 956 CG PHE A 73 8.808 -1.599 -4.639 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.291 -2.657 -3.886 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.440 -0.433 -3.987 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.407 -2.553 -2.515 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.554 -0.324 -2.615 1.00 0.00 C ATOM 961 CZ PHE A 73 9.036 -1.386 -1.879 1.00 0.00 C ATOM 0 H PHE A 73 11.541 -2.356 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 73 9.838 -1.691 -7.957 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.990 -0.949 -6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.238 -2.680 -6.376 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.580 -3.574 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.059 0.401 -4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.788 -3.384 -1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.266 0.591 -2.119 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.123 -1.304 -0.806 1.00 0.00 H new ATOM 971 N GLU A 74 9.911 0.829 -7.175 1.00 0.00 N ATOM 972 CA GLU A 74 10.354 2.208 -7.020 1.00 0.00 C ATOM 973 C GLU A 74 9.879 2.766 -5.686 1.00 0.00 C ATOM 974 O GLU A 74 8.809 2.410 -5.203 1.00 0.00 O ATOM 975 CB GLU A 74 9.825 3.081 -8.161 1.00 0.00 C ATOM 976 CG GLU A 74 9.711 2.359 -9.494 1.00 0.00 C ATOM 977 CD GLU A 74 8.335 1.760 -9.715 1.00 0.00 C ATOM 978 OE1 GLU A 74 7.464 2.454 -10.276 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.122 0.590 -9.326 1.00 0.00 O ATOM 0 H GLU A 74 9.048 0.721 -7.707 1.00 0.00 H new ATOM 0 HA GLU A 74 11.444 2.219 -7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.844 3.467 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.484 3.941 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.934 3.056 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.460 1.568 -9.540 1.00 0.00 H new ATOM 986 N GLY A 75 10.670 3.642 -5.092 1.00 0.00 N ATOM 987 CA GLY A 75 10.293 4.226 -3.824 1.00 0.00 C ATOM 988 C GLY A 75 9.771 5.633 -3.994 1.00 0.00 C ATOM 989 O GLY A 75 10.528 6.538 -4.348 1.00 0.00 O ATOM 0 H GLY A 75 11.565 3.959 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.529 3.609 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.154 4.235 -3.156 1.00 0.00 H new ATOM 993 N PHE A 76 8.481 5.824 -3.754 1.00 0.00 N ATOM 994 CA PHE A 76 7.868 7.131 -3.900 1.00 0.00 C ATOM 995 C PHE A 76 7.185 7.530 -2.608 1.00 0.00 C ATOM 996 O PHE A 76 6.622 6.687 -1.908 1.00 0.00 O ATOM 997 CB PHE A 76 6.847 7.126 -5.046 1.00 0.00 C ATOM 998 CG PHE A 76 7.438 7.358 -6.409 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.179 6.371 -7.044 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.246 8.568 -7.059 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.717 6.589 -8.299 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.781 8.790 -8.314 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.517 7.800 -8.933 1.00 0.00 C ATOM 0 H PHE A 76 7.841 5.088 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 76 8.650 7.853 -4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.327 6.168 -5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.099 7.895 -4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.337 5.422 -6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.671 9.346 -6.579 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.293 5.814 -8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.623 9.737 -8.809 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.937 7.972 -9.913 1.00 0.00 H new ATOM 1013 N LEU A 77 7.254 8.807 -2.288 1.00 0.00 N ATOM 1014 CA LEU A 77 6.629 9.313 -1.084 1.00 0.00 C ATOM 1015 C LEU A 77 5.149 9.569 -1.332 1.00 0.00 C ATOM 1016 O LEU A 77 4.675 9.468 -2.465 1.00 0.00 O ATOM 1017 CB LEU A 77 7.320 10.597 -0.620 1.00 0.00 C ATOM 1018 CG LEU A 77 8.832 10.482 -0.386 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.390 11.795 0.138 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.148 9.348 0.583 1.00 0.00 C ATOM 0 H LEU A 77 7.736 9.512 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 77 6.730 8.565 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.142 11.374 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.850 10.928 0.306 1.00 0.00 H new ATOM 0 HG LEU A 77 9.306 10.257 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.464 11.696 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.203 12.586 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.904 12.047 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.226 9.287 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.659 9.539 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.785 8.406 0.172 1.00 0.00 H new ATOM 1032 N PHE A 78 4.429 9.905 -0.275 1.00 0.00 N ATOM 1033 CA PHE A 78 3.003 10.170 -0.377 1.00 0.00 C ATOM 1034 C PHE A 78 2.756 11.509 -1.067 1.00 0.00 C ATOM 1035 O PHE A 78 1.730 11.707 -1.714 1.00 0.00 O ATOM 1036 CB PHE A 78 2.369 10.153 1.015 1.00 0.00 C ATOM 1037 CG PHE A 78 0.872 10.249 0.993 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.111 9.307 0.315 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.228 11.282 1.645 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.266 9.398 0.295 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.147 11.376 1.628 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.895 10.434 0.951 1.00 0.00 C ATOM 0 H PHE A 78 4.810 10.001 0.666 1.00 0.00 H new ATOM 0 HA PHE A 78 2.541 9.389 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.659 9.235 1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.770 10.982 1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.601 8.495 -0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.808 12.024 2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.849 8.659 -0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.639 12.187 2.144 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.972 10.509 0.935 1.00 0.00 H new ATOM 1052 N ASP A 79 3.714 12.418 -0.928 1.00 0.00 N ATOM 1053 CA ASP A 79 3.619 13.739 -1.543 1.00 0.00 C ATOM 1054 C ASP A 79 3.832 13.648 -3.056 1.00 0.00 C ATOM 1055 O ASP A 79 3.195 14.369 -3.827 1.00 0.00 O ATOM 1056 CB ASP A 79 4.642 14.694 -0.905 1.00 0.00 C ATOM 1057 CG ASP A 79 5.616 15.297 -1.904 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.666 14.675 -2.165 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.342 16.399 -2.426 1.00 0.00 O ATOM 0 H ASP A 79 4.569 12.265 -0.393 1.00 0.00 H new ATOM 0 HA ASP A 79 2.618 14.134 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.109 15.499 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.204 14.155 -0.142 1.00 0.00 H new ATOM 1064 N GLY A 80 4.719 12.753 -3.473 1.00 0.00 N ATOM 1065 CA GLY A 80 4.998 12.590 -4.886 1.00 0.00 C ATOM 1066 C GLY A 80 6.479 12.448 -5.177 1.00 0.00 C ATOM 1067 O GLY A 80 6.864 11.828 -6.169 1.00 0.00 O ATOM 0 H GLY A 80 5.250 12.137 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.473 11.710 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.605 13.448 -5.431 1.00 0.00 H new ATOM 1071 N THR A 81 7.309 13.023 -4.315 1.00 0.00 N ATOM 1072 CA THR A 81 8.755 12.960 -4.482 1.00 0.00 C ATOM 1073 C THR A 81 9.256 11.517 -4.387 1.00 0.00 C ATOM 1074 O THR A 81 8.802 10.748 -3.542 1.00 0.00 O ATOM 1075 CB THR A 81 9.468 13.819 -3.417 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.881 15.128 -3.362 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.955 13.943 -3.712 1.00 0.00 C ATOM 0 H THR A 81 7.003 13.540 -3.490 1.00 0.00 H new ATOM 0 HA THR A 81 8.987 13.352 -5.472 1.00 0.00 H new ATOM 0 HB THR A 81 9.347 13.322 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.111 15.116 -2.756 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.429 14.554 -2.944 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.409 12.952 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.095 14.412 -4.686 1.00 0.00 H new ATOM 1085 N ARG A 82 10.170 11.143 -5.270 1.00 0.00 N ATOM 1086 CA ARG A 82 10.721 9.795 -5.255 1.00 0.00 C ATOM 1087 C ARG A 82 11.957 9.738 -4.362 1.00 0.00 C ATOM 1088 O ARG A 82 12.653 10.738 -4.188 1.00 0.00 O ATOM 1089 CB ARG A 82 11.064 9.311 -6.671 1.00 0.00 C ATOM 1090 CG ARG A 82 12.161 10.105 -7.358 1.00 0.00 C ATOM 1091 CD ARG A 82 11.588 11.151 -8.294 1.00 0.00 C ATOM 1092 NE ARG A 82 10.891 10.547 -9.427 1.00 0.00 N ATOM 1093 CZ ARG A 82 10.038 11.203 -10.209 1.00 0.00 C ATOM 1094 NH1 ARG A 82 9.771 12.485 -9.985 1.00 0.00 N ATOM 1095 NH2 ARG A 82 9.454 10.576 -11.220 1.00 0.00 N ATOM 0 H ARG A 82 10.544 11.748 -6.001 1.00 0.00 H new ATOM 0 HA ARG A 82 9.959 9.129 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.367 8.265 -6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.164 9.353 -7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.785 10.590 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.805 9.428 -7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.899 11.792 -7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.392 11.789 -8.661 1.00 0.00 H new ATOM 0 HE ARG A 82 11.069 9.564 -9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.221 12.972 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.116 12.982 -10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.659 9.593 -11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.800 11.077 -11.821 1.00 0.00 H new ATOM 1109 N TRP A 83 12.216 8.573 -3.791 1.00 0.00 N ATOM 1110 CA TRP A 83 13.367 8.394 -2.918 1.00 0.00 C ATOM 1111 C TRP A 83 14.431 7.548 -3.608 1.00 0.00 C ATOM 1112 O TRP A 83 15.620 7.656 -3.307 1.00 0.00 O ATOM 1113 CB TRP A 83 12.930 7.729 -1.613 1.00 0.00 C ATOM 1114 CG TRP A 83 13.815 8.048 -0.447 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.959 7.394 -0.081 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.629 9.099 0.508 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.485 7.971 1.047 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.689 9.020 1.427 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.668 10.100 0.673 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.813 9.901 2.499 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.793 10.975 1.738 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.858 10.869 2.639 1.00 0.00 C ATOM 0 H TRP A 83 11.646 7.737 -3.916 1.00 0.00 H new ATOM 0 HA TRP A 83 13.794 9.372 -2.694 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.912 8.040 -1.380 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.908 6.649 -1.756 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.385 6.549 -0.602 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.333 7.668 1.526 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.843 10.189 -0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.635 9.822 3.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.056 11.753 1.876 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.927 11.566 3.461 1.00 0.00 H new ATOM 1133 N GLY A 84 13.992 6.713 -4.540 1.00 0.00 N ATOM 1134 CA GLY A 84 14.907 5.856 -5.264 1.00 0.00 C ATOM 1135 C GLY A 84 14.293 4.507 -5.568 1.00 0.00 C ATOM 1136 O GLY A 84 13.118 4.427 -5.924 1.00 0.00 O ATOM 0 H GLY A 84 13.013 6.614 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.199 6.341 -6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.816 5.718 -4.678 1.00 0.00 H new ATOM 1140 N THR A 85 15.077 3.451 -5.418 1.00 0.00 N ATOM 1141 CA THR A 85 14.604 2.099 -5.676 1.00 0.00 C ATOM 1142 C THR A 85 14.640 1.267 -4.394 1.00 0.00 C ATOM 1143 O THR A 85 15.616 1.310 -3.642 1.00 0.00 O ATOM 1144 CB THR A 85 15.456 1.401 -6.759 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.785 2.327 -7.808 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.714 0.214 -7.351 1.00 0.00 C ATOM 0 H THR A 85 16.050 3.505 -5.117 1.00 0.00 H new ATOM 0 HA THR A 85 13.578 2.176 -6.035 1.00 0.00 H new ATOM 0 HB THR A 85 16.372 1.045 -6.287 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.326 1.873 -8.487 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.335 -0.261 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.491 -0.506 -6.563 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.783 0.556 -7.804 1.00 0.00 H new ATOM 1154 N VAL A 86 13.577 0.514 -4.152 1.00 0.00 N ATOM 1155 CA VAL A 86 13.490 -0.325 -2.969 1.00 0.00 C ATOM 1156 C VAL A 86 13.424 -1.787 -3.378 1.00 0.00 C ATOM 1157 O VAL A 86 12.606 -2.172 -4.214 1.00 0.00 O ATOM 1158 CB VAL A 86 12.254 0.013 -2.110 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.534 -0.259 -0.640 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.814 1.454 -2.316 1.00 0.00 C ATOM 0 H VAL A 86 12.761 0.468 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 86 14.382 -0.137 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 86 11.437 -0.632 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.651 -0.015 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.780 -1.312 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.372 0.355 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.941 1.660 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.625 2.126 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.560 1.611 -3.364 1.00 0.00 H new ATOM 1170 N ASP A 87 14.296 -2.595 -2.804 1.00 0.00 N ATOM 1171 CA ASP A 87 14.328 -4.015 -3.120 1.00 0.00 C ATOM 1172 C ASP A 87 14.039 -4.852 -1.881 1.00 0.00 C ATOM 1173 O ASP A 87 14.571 -4.584 -0.803 1.00 0.00 O ATOM 1174 CB ASP A 87 15.685 -4.400 -3.712 1.00 0.00 C ATOM 1175 CG ASP A 87 15.790 -5.878 -4.024 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.296 -6.308 -5.084 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.373 -6.621 -3.208 1.00 0.00 O ATOM 0 H ASP A 87 14.990 -2.296 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 87 13.553 -4.216 -3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.854 -3.828 -4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.473 -4.124 -3.012 1.00 0.00 H new ATOM 1182 N CYS A 88 13.192 -5.857 -2.042 1.00 0.00 N ATOM 1183 CA CYS A 88 12.828 -6.743 -0.947 1.00 0.00 C ATOM 1184 C CYS A 88 13.301 -8.173 -1.206 1.00 0.00 C ATOM 1185 O CYS A 88 12.731 -9.126 -0.677 1.00 0.00 O ATOM 1186 CB CYS A 88 11.310 -6.735 -0.738 1.00 0.00 C ATOM 1187 SG CYS A 88 10.700 -5.391 0.332 1.00 0.00 S ATOM 0 H CYS A 88 12.740 -6.081 -2.929 1.00 0.00 H new ATOM 0 HA CYS A 88 13.321 -6.375 -0.047 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.823 -6.658 -1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 88 11.011 -7.690 -0.306 1.00 0.00 H new ATOM 1192 N THR A 89 14.345 -8.330 -2.016 1.00 0.00 N ATOM 1193 CA THR A 89 14.876 -9.655 -2.314 1.00 0.00 C ATOM 1194 C THR A 89 15.533 -10.252 -1.066 1.00 0.00 C ATOM 1195 O THR A 89 15.519 -11.463 -0.859 1.00 0.00 O ATOM 1196 CB THR A 89 15.885 -9.605 -3.482 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.281 -8.966 -4.618 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.341 -11.003 -3.877 1.00 0.00 C ATOM 0 H THR A 89 14.836 -7.562 -2.474 1.00 0.00 H new ATOM 0 HA THR A 89 14.046 -10.292 -2.618 1.00 0.00 H new ATOM 0 HB THR A 89 16.755 -9.037 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.728 -8.111 -4.788 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.051 -10.935 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.821 -11.484 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.479 -11.593 -4.188 1.00 0.00 H new ATOM 1206 N THR A 90 16.079 -9.386 -0.224 1.00 0.00 N ATOM 1207 CA THR A 90 16.715 -9.811 1.011 1.00 0.00 C ATOM 1208 C THR A 90 16.244 -8.927 2.170 1.00 0.00 C ATOM 1209 O THR A 90 16.972 -8.687 3.138 1.00 0.00 O ATOM 1210 CB THR A 90 18.258 -9.782 0.894 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.861 -10.256 2.107 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.767 -8.382 0.584 1.00 0.00 C ATOM 0 H THR A 90 16.093 -8.378 -0.377 1.00 0.00 H new ATOM 0 HA THR A 90 16.423 -10.843 1.207 1.00 0.00 H new ATOM 0 HB THR A 90 18.537 -10.439 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.442 -9.814 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.854 -8.399 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.343 -8.042 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.469 -7.702 1.382 1.00 0.00 H new ATOM 1220 N ALA A 91 15.010 -8.451 2.062 1.00 0.00 N ATOM 1221 CA ALA A 91 14.416 -7.600 3.081 1.00 0.00 C ATOM 1222 C ALA A 91 12.918 -7.857 3.173 1.00 0.00 C ATOM 1223 O ALA A 91 12.370 -8.627 2.382 1.00 0.00 O ATOM 1224 CB ALA A 91 14.694 -6.138 2.773 1.00 0.00 C ATOM 0 H ALA A 91 14.397 -8.643 1.270 1.00 0.00 H new ATOM 0 HA ALA A 91 14.865 -7.838 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.244 -5.512 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.771 -5.969 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.267 -5.883 1.803 1.00 0.00 H new ATOM 1230 N ALA A 92 12.261 -7.218 4.127 1.00 0.00 N ATOM 1231 CA ALA A 92 10.826 -7.392 4.311 1.00 0.00 C ATOM 1232 C ALA A 92 10.044 -6.239 3.688 1.00 0.00 C ATOM 1233 O ALA A 92 10.468 -5.085 3.749 1.00 0.00 O ATOM 1234 CB ALA A 92 10.496 -7.521 5.791 1.00 0.00 C ATOM 0 H ALA A 92 12.697 -6.574 4.787 1.00 0.00 H new ATOM 0 HA ALA A 92 10.529 -8.309 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.421 -7.650 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.015 -8.385 6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.815 -6.620 6.315 1.00 0.00 H new ATOM 1240 N CYS A 93 8.904 -6.560 3.091 1.00 0.00 N ATOM 1241 CA CYS A 93 8.053 -5.561 2.456 1.00 0.00 C ATOM 1242 C CYS A 93 6.749 -5.428 3.245 1.00 0.00 C ATOM 1243 O CYS A 93 6.465 -6.256 4.108 1.00 0.00 O ATOM 1244 CB CYS A 93 7.761 -5.963 1.007 1.00 0.00 C ATOM 1245 SG CYS A 93 8.773 -5.111 -0.256 1.00 0.00 S ATOM 0 H CYS A 93 8.544 -7.513 3.033 1.00 0.00 H new ATOM 0 HA CYS A 93 8.566 -4.599 2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.913 -7.038 0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.709 -5.769 0.798 1.00 0.00 H new ATOM 1250 N GLN A 94 5.965 -4.394 2.969 1.00 0.00 N ATOM 1251 CA GLN A 94 4.705 -4.191 3.674 1.00 0.00 C ATOM 1252 C GLN A 94 3.675 -3.504 2.786 1.00 0.00 C ATOM 1253 O GLN A 94 4.013 -2.928 1.752 1.00 0.00 O ATOM 1254 CB GLN A 94 4.932 -3.366 4.947 1.00 0.00 C ATOM 1255 CG GLN A 94 5.510 -1.984 4.689 1.00 0.00 C ATOM 1256 CD GLN A 94 6.032 -1.331 5.951 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.191 -1.508 6.319 1.00 0.00 O ATOM 1258 NE2 GLN A 94 5.180 -0.576 6.625 1.00 0.00 N ATOM 0 H GLN A 94 6.177 -3.686 2.266 1.00 0.00 H new ATOM 0 HA GLN A 94 4.317 -5.172 3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.984 -3.260 5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.604 -3.913 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.319 -2.061 3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.743 -1.349 4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.226 -0.455 6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.477 -0.115 7.485 1.00 0.00 H new ATOM 1267 N VAL A 95 2.416 -3.587 3.187 1.00 0.00 N ATOM 1268 CA VAL A 95 1.329 -2.961 2.450 1.00 0.00 C ATOM 1269 C VAL A 95 1.005 -1.612 3.081 1.00 0.00 C ATOM 1270 O VAL A 95 0.703 -1.536 4.276 1.00 0.00 O ATOM 1271 CB VAL A 95 0.062 -3.842 2.442 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.969 -3.287 1.469 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.415 -5.280 2.088 1.00 0.00 C ATOM 0 H VAL A 95 2.120 -4.086 4.026 1.00 0.00 H new ATOM 0 HA VAL A 95 1.652 -2.830 1.417 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.372 -3.831 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.855 -3.921 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.244 -2.276 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.547 -3.266 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.490 -5.887 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.873 -5.309 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.116 -5.674 2.824 1.00 0.00 H new ATOM 1283 N GLY A 96 1.080 -0.557 2.284 1.00 0.00 N ATOM 1284 CA GLY A 96 0.809 0.768 2.792 1.00 0.00 C ATOM 1285 C GLY A 96 -0.563 1.276 2.419 1.00 0.00 C ATOM 1286 O GLY A 96 -0.905 1.345 1.241 1.00 0.00 O ATOM 0 H GLY A 96 1.324 -0.596 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.904 0.761 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.562 1.458 2.410 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.347 1.625 3.427 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.692 2.138 3.215 1.00 0.00 C ATOM 1292 C LEU A 97 -2.797 3.547 3.781 1.00 0.00 C ATOM 1293 O LEU A 97 -2.511 3.768 4.961 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.732 1.232 3.889 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.624 -0.261 3.561 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.862 -0.998 4.653 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -5.007 -0.866 3.376 1.00 0.00 C ATOM 0 H LEU A 97 -1.072 1.562 4.407 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.891 2.157 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.649 1.355 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.726 1.577 3.605 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.072 -0.367 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.797 -2.056 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.858 -0.583 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.385 -0.883 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.912 -1.927 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.583 -0.746 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.519 -0.360 2.558 1.00 0.00 H new ATOM 1309 N SER A 98 -3.167 4.504 2.946 1.00 0.00 N ATOM 1310 CA SER A 98 -3.305 5.883 3.393 1.00 0.00 C ATOM 1311 C SER A 98 -4.374 6.620 2.593 1.00 0.00 C ATOM 1312 O SER A 98 -4.474 6.459 1.376 1.00 0.00 O ATOM 1313 CB SER A 98 -1.965 6.611 3.273 1.00 0.00 C ATOM 1314 OG SER A 98 -0.979 5.992 4.085 1.00 0.00 O ATOM 0 H SER A 98 -3.377 4.354 1.959 1.00 0.00 H new ATOM 0 HA SER A 98 -3.615 5.869 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.638 6.611 2.233 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.085 7.653 3.570 1.00 0.00 H new ATOM 0 HG SER A 98 -0.130 6.472 3.992 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.187 7.402 3.288 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.237 8.183 2.650 1.00 0.00 C ATOM 1322 C ASP A 99 -5.664 9.505 2.147 1.00 0.00 C ATOM 1323 O ASP A 99 -4.458 9.724 2.228 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.385 8.441 3.634 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.157 9.673 4.494 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.319 9.622 5.416 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.812 10.702 4.240 1.00 0.00 O ATOM 0 H ASP A 99 -5.139 7.513 4.301 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.630 7.621 1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.315 8.559 3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.507 7.571 4.279 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.527 10.382 1.643 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.103 11.682 1.134 1.00 0.00 C ATOM 1334 C ALA A 100 -5.343 12.481 2.197 1.00 0.00 C ATOM 1335 O ALA A 100 -4.435 13.248 1.878 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.309 12.469 0.649 1.00 0.00 C ATOM 0 H ALA A 100 -7.531 10.214 1.576 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.424 11.510 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.983 13.438 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.807 11.917 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.003 12.617 1.476 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.712 12.299 3.459 1.00 0.00 N ATOM 1343 CA ALA A 101 -5.058 13.003 4.553 1.00 0.00 C ATOM 1344 C ALA A 101 -3.754 12.312 4.950 1.00 0.00 C ATOM 1345 O ALA A 101 -2.850 12.937 5.506 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.992 13.104 5.750 1.00 0.00 C ATOM 0 H ALA A 101 -6.461 11.670 3.749 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.815 14.009 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.489 13.633 6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.892 13.649 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.265 12.103 6.084 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.660 11.022 4.653 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.468 10.263 4.987 1.00 0.00 C ATOM 1354 C GLY A 102 -2.674 9.340 6.172 1.00 0.00 C ATOM 1355 O GLY A 102 -1.712 8.885 6.786 1.00 0.00 O ATOM 0 H GLY A 102 -4.390 10.485 4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.163 9.674 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.653 10.953 5.206 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.930 9.057 6.489 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.262 8.183 7.606 1.00 0.00 C ATOM 1361 C ASN A 103 -5.007 6.950 7.102 1.00 0.00 C ATOM 1362 O ASN A 103 -4.959 6.632 5.913 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.124 8.926 8.633 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.406 10.092 9.281 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.636 9.916 10.224 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.671 11.296 8.796 1.00 0.00 N ATOM 0 H ASN A 103 -4.739 9.422 5.986 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.335 7.871 8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.028 9.290 8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.440 8.226 9.407 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.230 12.119 9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.316 11.400 8.012 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.684 6.252 8.004 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.432 5.071 7.618 1.00 0.00 C ATOM 1375 C GLY A 104 -5.977 3.834 8.365 1.00 0.00 C ATOM 1376 O GLY A 104 -5.456 3.943 9.475 1.00 0.00 O ATOM 0 H GLY A 104 -5.729 6.482 8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.493 5.237 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.321 4.907 6.546 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.173 2.637 7.786 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.763 1.369 8.409 1.00 0.00 C ATOM 1382 C PRO A 105 -4.249 1.287 8.602 1.00 0.00 C ATOM 1383 O PRO A 105 -3.485 1.923 7.871 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.232 0.303 7.408 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.249 0.985 6.560 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.813 2.420 6.481 1.00 0.00 C ATOM 0 HA PRO A 105 -6.190 1.249 9.405 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.401 -0.065 6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.660 -0.558 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.298 0.535 5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.244 0.901 6.997 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.119 2.587 5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.658 3.092 6.328 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.822 0.502 9.581 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.405 0.341 9.877 1.00 0.00 C ATOM 1396 C GLU A 106 -1.739 -0.547 8.833 1.00 0.00 C ATOM 1397 O GLU A 106 -2.363 -1.470 8.303 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.230 -0.254 11.273 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.838 -0.071 11.850 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.806 -0.278 13.347 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.138 0.670 14.090 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.458 -1.388 13.792 1.00 0.00 O ATOM 0 H GLU A 106 -4.441 -0.036 10.187 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.926 1.320 9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.955 0.204 11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.460 -1.319 11.235 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.154 -0.774 11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.479 0.931 11.616 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.479 -0.249 8.530 1.00 0.00 N ATOM 1410 CA GLY A 107 0.257 -1.020 7.550 1.00 0.00 C ATOM 1411 C GLY A 107 0.533 -2.439 8.007 1.00 0.00 C ATOM 1412 O GLY A 107 0.794 -2.686 9.187 1.00 0.00 O ATOM 0 H GLY A 107 0.046 0.518 8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.306 -1.046 6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.202 -0.521 7.337 1.00 0.00 H new ATOM 1416 N VAL A 108 0.474 -3.373 7.072 1.00 0.00 N ATOM 1417 CA VAL A 108 0.713 -4.777 7.375 1.00 0.00 C ATOM 1418 C VAL A 108 2.012 -5.243 6.735 1.00 0.00 C ATOM 1419 O VAL A 108 2.211 -5.082 5.530 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.451 -5.667 6.882 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.146 -7.144 7.103 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.749 -5.281 7.577 1.00 0.00 C ATOM 0 H VAL A 108 0.262 -3.184 6.092 1.00 0.00 H new ATOM 0 HA VAL A 108 0.785 -4.871 8.459 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.568 -5.504 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.982 -7.745 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.756 -7.415 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.007 -7.329 8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.557 -5.918 7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.637 -5.409 8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.983 -4.239 7.358 1.00 0.00 H new ATOM 1432 N ALA A 109 2.899 -5.801 7.551 1.00 0.00 N ATOM 1433 CA ALA A 109 4.176 -6.296 7.068 1.00 0.00 C ATOM 1434 C ALA A 109 4.015 -7.704 6.505 1.00 0.00 C ATOM 1435 O ALA A 109 3.378 -8.561 7.121 1.00 0.00 O ATOM 1436 CB ALA A 109 5.211 -6.278 8.186 1.00 0.00 C ATOM 0 H ALA A 109 2.753 -5.921 8.553 1.00 0.00 H new ATOM 0 HA ALA A 109 4.526 -5.642 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.162 -6.652 7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.340 -5.257 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.872 -6.912 9.006 1.00 0.00 H new ATOM 1442 N ILE A 110 4.593 -7.936 5.338 1.00 0.00 N ATOM 1443 CA ILE A 110 4.502 -9.231 4.688 1.00 0.00 C ATOM 1444 C ILE A 110 5.889 -9.801 4.422 1.00 0.00 C ATOM 1445 O ILE A 110 6.882 -9.075 4.389 1.00 0.00 O ATOM 1446 CB ILE A 110 3.719 -9.144 3.357 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.309 -8.050 2.458 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.239 -8.887 3.621 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.605 -7.901 1.125 1.00 0.00 C ATOM 0 H ILE A 110 5.132 -7.241 4.821 1.00 0.00 H new ATOM 0 HA ILE A 110 3.963 -9.893 5.366 1.00 0.00 H new ATOM 0 HB ILE A 110 3.811 -10.099 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.268 -7.098 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.361 -8.270 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.705 -8.829 2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.829 -9.701 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.124 -7.947 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.081 -7.108 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.668 -8.839 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.558 -7.649 1.293 1.00 0.00 H new ATOM 1461 N SER A 111 5.952 -11.105 4.249 1.00 0.00 N ATOM 1462 CA SER A 111 7.209 -11.780 3.980 1.00 0.00 C ATOM 1463 C SER A 111 7.016 -12.858 2.926 1.00 0.00 C ATOM 1464 O SER A 111 5.969 -13.509 2.871 1.00 0.00 O ATOM 1465 CB SER A 111 7.769 -12.382 5.267 1.00 0.00 C ATOM 1466 OG SER A 111 7.826 -11.402 6.292 1.00 0.00 O ATOM 0 H SER A 111 5.142 -11.724 4.290 1.00 0.00 H new ATOM 0 HA SER A 111 7.924 -11.051 3.598 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.144 -13.215 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.766 -12.783 5.084 1.00 0.00 H new ATOM 0 HG SER A 111 8.186 -11.805 7.110 1.00 0.00 H new ATOM 1472 N PHE A 112 8.020 -13.033 2.086 1.00 0.00 N ATOM 1473 CA PHE A 112 7.962 -14.024 1.025 1.00 0.00 C ATOM 1474 C PHE A 112 8.480 -15.362 1.529 1.00 0.00 C ATOM 1475 O PHE A 112 9.116 -15.432 2.581 1.00 0.00 O ATOM 1476 CB PHE A 112 8.781 -13.559 -0.185 1.00 0.00 C ATOM 1477 CG PHE A 112 8.411 -12.189 -0.684 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.399 -12.023 -1.616 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.078 -11.068 -0.219 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.063 -10.766 -2.077 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.746 -9.808 -0.677 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.735 -9.655 -1.605 1.00 0.00 C ATOM 0 H PHE A 112 8.889 -12.500 2.118 1.00 0.00 H new ATOM 0 HA PHE A 112 6.924 -14.144 0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.838 -13.564 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.652 -14.277 -0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.867 -12.887 -1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.867 -11.180 0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.275 -10.651 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.277 -8.942 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.470 -8.670 -1.961 1.00 0.00 H new ATOM 1492 N ASN A 113 8.199 -16.420 0.790 1.00 0.00 N ATOM 1493 CA ASN A 113 8.646 -17.753 1.169 1.00 0.00 C ATOM 1494 C ASN A 113 10.037 -18.006 0.608 1.00 0.00 C ATOM 1495 O ASN A 113 10.716 -18.937 1.081 1.00 0.00 O ATOM 1496 CB ASN A 113 7.665 -18.826 0.680 1.00 0.00 C ATOM 1497 CG ASN A 113 7.903 -19.253 -0.757 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.602 -20.231 -1.024 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.305 -18.536 -1.693 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.456 -17.246 -0.292 1.00 0.00 O ATOM 0 H ASN A 113 7.663 -16.385 -0.077 1.00 0.00 H new ATOM 0 HA ASN A 113 8.683 -17.810 2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.741 -19.699 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.647 -18.447 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.415 -18.787 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.734 -17.732 -1.433 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.446 6.209 4.508 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.091 7.378 4.122 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.492 7.600 2.795 1.00 20.00 C HETATM 1511 C4 FLN A 114 5.220 6.541 1.779 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.538 5.336 2.258 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.185 5.211 3.569 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.490 4.091 4.303 1.00 20.00 C HETATM 1515 C2' FLN A 114 2.231 4.299 4.877 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.598 3.256 5.557 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.171 1.986 5.702 1.00 20.00 C HETATM 1518 C5' FLN A 114 3.434 1.823 5.111 1.00 20.00 C HETATM 1519 C6' FLN A 114 4.087 2.842 4.424 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.550 6.688 0.597 1.00 20.00 O HETATM 1521 C5 FLN A 114 6.146 8.816 2.470 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.377 9.775 3.471 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.956 9.517 4.791 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.314 8.323 5.122 1.00 20.00 C HETATM 0 H8 FLN A 114 4.992 8.132 6.146 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.135 10.262 5.566 1.00 20.00 H new HETATM 0 H6' FLN A 114 5.066 2.661 3.981 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.878 10.712 3.228 1.00 20.00 H new HETATM 0 H5' FLN A 114 3.926 0.854 5.194 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.469 9.006 1.446 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.670 1.179 6.237 1.00 20.00 H new HETATM 0 H3' FLN A 114 0.616 3.438 5.994 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.310 4.531 1.559 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.746 5.272 4.794 1.00 20.00 H new