USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 66:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.182 USER MOD Single : A 10 SER OG : rot -130:sc= -0.989 USER MOD Single : A 11 SER OG : rot 119:sc= -0.354 USER MOD Single : A 14 SER OG : rot 180:sc= 0.138 USER MOD Single : A 17 THR OG1 : rot 114:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0547 K(o=-0.055,f=-1.2!) USER MOD Single : A 30 THR OG1 : rot -85:sc= 1.23 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.9! C(o=-2.9!,f=-6.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00568 USER MOD Single : A 48 ASN : amide:sc= -1.75! C(o=-1.8!,f=-6.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -91:sc= 1.16 USER MOD Single : A 56 THR OG1 : rot 23:sc= 0.457 USER MOD Single : A 60 ASN : amide:sc= -0.0172 K(o=-0.017,f=-0.99) USER MOD Single : A 62 SER OG : rot 75:sc= 0.0146 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 130:sc= -0.003 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -90:sc= 1.25 USER MOD Single : A 81 THR OG1 : rot 101:sc= 0.948 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.095 USER MOD Single : A 89 THR OG1 : rot 113:sc= 0.729 USER MOD Single : A 90 THR OG1 : rot -43:sc= 0.0474 USER MOD Single : A 94 GLN : amide:sc= 0.21 K(o=0.21,f=-4.2!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 103 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.158 USER MOD Single : A 113 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.741 5.296 16.104 1.00 0.00 N ATOM 2 CA ALA A 1 -17.227 4.229 15.203 1.00 0.00 C ATOM 3 C ALA A 1 -16.062 3.375 14.721 1.00 0.00 C ATOM 4 O ALA A 1 -15.224 3.836 13.947 1.00 0.00 O ATOM 5 CB ALA A 1 -17.975 4.830 14.019 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.545 5.872 16.426 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.270 4.868 16.927 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.065 5.900 15.594 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.917 3.593 15.757 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.326 4.030 13.366 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.828 5.403 14.381 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.307 5.487 13.462 1.00 0.00 H new ATOM 11 N ALA A 2 -16.002 2.137 15.194 1.00 0.00 N ATOM 12 CA ALA A 2 -14.936 1.225 14.810 1.00 0.00 C ATOM 13 C ALA A 2 -15.213 0.620 13.438 1.00 0.00 C ATOM 14 O ALA A 2 -16.224 -0.059 13.248 1.00 0.00 O ATOM 15 CB ALA A 2 -14.781 0.123 15.845 1.00 0.00 C ATOM 0 H ALA A 2 -16.681 1.742 15.845 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.006 1.791 14.758 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.979 -0.550 15.542 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.539 0.564 16.812 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.714 -0.436 15.924 1.00 0.00 H new ATOM 21 N PRO A 3 -14.329 0.871 12.463 1.00 0.00 N ATOM 22 CA PRO A 3 -14.475 0.343 11.108 1.00 0.00 C ATOM 23 C PRO A 3 -14.062 -1.123 11.018 1.00 0.00 C ATOM 24 O PRO A 3 -13.603 -1.712 11.999 1.00 0.00 O ATOM 25 CB PRO A 3 -13.525 1.218 10.293 1.00 0.00 C ATOM 26 CG PRO A 3 -12.456 1.607 11.254 1.00 0.00 C ATOM 27 CD PRO A 3 -13.114 1.695 12.606 1.00 0.00 C ATOM 0 HA PRO A 3 -15.508 0.371 10.760 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.115 0.673 9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.037 2.094 9.893 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.652 0.871 11.260 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.011 2.562 10.975 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.463 1.314 13.393 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.358 2.725 12.865 1.00 0.00 H new ATOM 35 N THR A 4 -14.215 -1.705 9.840 1.00 0.00 N ATOM 36 CA THR A 4 -13.863 -3.098 9.627 1.00 0.00 C ATOM 37 C THR A 4 -12.754 -3.218 8.588 1.00 0.00 C ATOM 38 O THR A 4 -12.953 -2.918 7.409 1.00 0.00 O ATOM 39 CB THR A 4 -15.089 -3.909 9.168 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.281 -3.383 9.772 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.941 -5.372 9.538 1.00 0.00 C ATOM 0 H THR A 4 -14.582 -1.232 9.014 1.00 0.00 H new ATOM 0 HA THR A 4 -13.509 -3.501 10.576 1.00 0.00 H new ATOM 0 HB THR A 4 -15.161 -3.828 8.083 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.056 -3.903 9.473 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.820 -5.923 9.203 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.052 -5.781 9.058 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.845 -5.466 10.620 1.00 0.00 H new ATOM 49 N ALA A 5 -11.583 -3.652 9.031 1.00 0.00 N ATOM 50 CA ALA A 5 -10.441 -3.796 8.143 1.00 0.00 C ATOM 51 C ALA A 5 -10.210 -5.258 7.772 1.00 0.00 C ATOM 52 O ALA A 5 -9.877 -6.087 8.625 1.00 0.00 O ATOM 53 CB ALA A 5 -9.192 -3.205 8.783 1.00 0.00 C ATOM 0 H ALA A 5 -11.400 -3.910 10.001 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.658 -3.248 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.346 -3.321 8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.353 -2.146 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.982 -3.724 9.718 1.00 0.00 H new ATOM 59 N THR A 6 -10.402 -5.572 6.501 1.00 0.00 N ATOM 60 CA THR A 6 -10.201 -6.923 6.010 1.00 0.00 C ATOM 61 C THR A 6 -9.106 -6.947 4.947 1.00 0.00 C ATOM 62 O THR A 6 -9.356 -6.655 3.779 1.00 0.00 O ATOM 63 CB THR A 6 -11.505 -7.507 5.430 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.442 -6.452 5.164 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.122 -8.509 6.393 1.00 0.00 C ATOM 0 H THR A 6 -10.698 -4.905 5.789 1.00 0.00 H new ATOM 0 HA THR A 6 -9.894 -7.540 6.855 1.00 0.00 H new ATOM 0 HB THR A 6 -11.265 -8.020 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.094 -5.877 4.451 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.041 -8.908 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.420 -9.324 6.569 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.348 -8.014 7.337 1.00 0.00 H new ATOM 73 N VAL A 7 -7.890 -7.267 5.356 1.00 0.00 N ATOM 74 CA VAL A 7 -6.772 -7.315 4.429 1.00 0.00 C ATOM 75 C VAL A 7 -6.215 -8.726 4.332 1.00 0.00 C ATOM 76 O VAL A 7 -6.276 -9.499 5.292 1.00 0.00 O ATOM 77 CB VAL A 7 -5.645 -6.340 4.836 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.141 -4.900 4.798 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.101 -6.682 6.218 1.00 0.00 C ATOM 0 H VAL A 7 -7.652 -7.497 6.321 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.152 -7.008 3.455 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.833 -6.444 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.332 -4.229 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.471 -4.655 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.975 -4.784 5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.309 -5.981 6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.904 -6.614 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.701 -7.696 6.211 1.00 0.00 H new ATOM 89 N THR A 8 -5.698 -9.064 3.167 1.00 0.00 N ATOM 90 CA THR A 8 -5.125 -10.376 2.936 1.00 0.00 C ATOM 91 C THR A 8 -3.612 -10.274 2.770 1.00 0.00 C ATOM 92 O THR A 8 -3.123 -9.803 1.743 1.00 0.00 O ATOM 93 CB THR A 8 -5.742 -11.032 1.687 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.174 -10.957 1.749 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.318 -12.488 1.565 1.00 0.00 C ATOM 0 H THR A 8 -5.663 -8.442 2.359 1.00 0.00 H new ATOM 0 HA THR A 8 -5.348 -10.998 3.803 1.00 0.00 H new ATOM 0 HB THR A 8 -5.382 -10.491 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.562 -11.510 1.038 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.769 -12.925 0.674 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.232 -12.546 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.649 -13.038 2.446 1.00 0.00 H new ATOM 103 N PRO A 9 -2.854 -10.701 3.790 1.00 0.00 N ATOM 104 CA PRO A 9 -1.393 -10.650 3.757 1.00 0.00 C ATOM 105 C PRO A 9 -0.792 -11.712 2.845 1.00 0.00 C ATOM 106 O PRO A 9 -1.346 -12.803 2.690 1.00 0.00 O ATOM 107 CB PRO A 9 -1.002 -10.906 5.213 1.00 0.00 C ATOM 108 CG PRO A 9 -2.119 -11.716 5.772 1.00 0.00 C ATOM 109 CD PRO A 9 -3.363 -11.270 5.054 1.00 0.00 C ATOM 0 HA PRO A 9 -1.026 -9.703 3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.054 -11.440 5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.880 -9.971 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.942 -12.781 5.619 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.213 -11.560 6.847 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.041 -12.104 4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.915 -10.529 5.633 1.00 0.00 H new ATOM 117 N SER A 10 0.340 -11.387 2.237 1.00 0.00 N ATOM 118 CA SER A 10 1.022 -12.310 1.343 1.00 0.00 C ATOM 119 C SER A 10 2.268 -12.887 2.011 1.00 0.00 C ATOM 120 O SER A 10 3.221 -13.273 1.338 1.00 0.00 O ATOM 121 CB SER A 10 1.399 -11.593 0.045 1.00 0.00 C ATOM 122 OG SER A 10 0.340 -10.761 -0.397 1.00 0.00 O ATOM 0 H SER A 10 0.807 -10.487 2.348 1.00 0.00 H new ATOM 0 HA SER A 10 0.347 -13.134 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.296 -10.994 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.637 -12.327 -0.725 1.00 0.00 H new ATOM 0 HG SER A 10 0.156 -10.941 -1.343 1.00 0.00 H new ATOM 128 N SER A 11 2.246 -12.944 3.336 1.00 0.00 N ATOM 129 CA SER A 11 3.366 -13.464 4.105 1.00 0.00 C ATOM 130 C SER A 11 3.572 -14.956 3.838 1.00 0.00 C ATOM 131 O SER A 11 2.685 -15.768 4.097 1.00 0.00 O ATOM 132 CB SER A 11 3.107 -13.230 5.591 1.00 0.00 C ATOM 133 OG SER A 11 2.062 -12.286 5.776 1.00 0.00 O ATOM 0 H SER A 11 1.457 -12.633 3.903 1.00 0.00 H new ATOM 0 HA SER A 11 4.272 -12.941 3.801 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.842 -14.172 6.072 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.017 -12.871 6.072 1.00 0.00 H new ATOM 0 HG SER A 11 1.322 -12.708 6.261 1.00 0.00 H new ATOM 139 N GLY A 12 4.735 -15.301 3.301 1.00 0.00 N ATOM 140 CA GLY A 12 5.045 -16.687 3.012 1.00 0.00 C ATOM 141 C GLY A 12 4.732 -17.054 1.580 1.00 0.00 C ATOM 142 O GLY A 12 4.677 -18.232 1.232 1.00 0.00 O ATOM 0 H GLY A 12 5.474 -14.640 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.101 -16.870 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.478 -17.332 3.683 1.00 0.00 H new ATOM 146 N LEU A 13 4.527 -16.049 0.745 1.00 0.00 N ATOM 147 CA LEU A 13 4.221 -16.276 -0.657 1.00 0.00 C ATOM 148 C LEU A 13 5.289 -15.655 -1.548 1.00 0.00 C ATOM 149 O LEU A 13 6.140 -14.906 -1.077 1.00 0.00 O ATOM 150 CB LEU A 13 2.842 -15.705 -0.996 1.00 0.00 C ATOM 151 CG LEU A 13 1.673 -16.356 -0.248 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.407 -15.529 -0.406 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.448 -17.777 -0.745 1.00 0.00 C ATOM 0 H LEU A 13 4.567 -15.066 1.015 1.00 0.00 H new ATOM 0 HA LEU A 13 4.209 -17.351 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.844 -14.637 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.674 -15.812 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 13 1.924 -16.396 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.410 -16.009 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.572 -14.531 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.151 -15.454 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.615 -18.224 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.220 -17.758 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.348 -18.368 -0.577 1.00 0.00 H new ATOM 165 N SER A 14 5.258 -15.992 -2.826 1.00 0.00 N ATOM 166 CA SER A 14 6.216 -15.466 -3.787 1.00 0.00 C ATOM 167 C SER A 14 5.841 -14.048 -4.227 1.00 0.00 C ATOM 168 O SER A 14 4.872 -13.468 -3.731 1.00 0.00 O ATOM 169 CB SER A 14 6.258 -16.401 -4.991 1.00 0.00 C ATOM 170 OG SER A 14 5.210 -17.355 -4.912 1.00 0.00 O ATOM 0 H SER A 14 4.573 -16.634 -3.226 1.00 0.00 H new ATOM 0 HA SER A 14 7.199 -15.411 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.165 -15.824 -5.911 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.221 -16.911 -5.030 1.00 0.00 H new ATOM 0 HG SER A 14 5.248 -17.948 -5.692 1.00 0.00 H new ATOM 176 N ASP A 15 6.609 -13.492 -5.157 1.00 0.00 N ATOM 177 CA ASP A 15 6.343 -12.149 -5.662 1.00 0.00 C ATOM 178 C ASP A 15 5.245 -12.196 -6.716 1.00 0.00 C ATOM 179 O ASP A 15 4.987 -13.246 -7.307 1.00 0.00 O ATOM 180 CB ASP A 15 7.610 -11.514 -6.251 1.00 0.00 C ATOM 181 CG ASP A 15 8.157 -12.271 -7.450 1.00 0.00 C ATOM 182 OD1 ASP A 15 7.742 -11.980 -8.592 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.018 -13.153 -7.256 1.00 0.00 O ATOM 0 H ASP A 15 7.419 -13.949 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 15 6.014 -11.533 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.391 -10.488 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.378 -11.466 -5.479 1.00 0.00 H new ATOM 188 N GLY A 16 4.597 -11.060 -6.941 1.00 0.00 N ATOM 189 CA GLY A 16 3.526 -10.999 -7.919 1.00 0.00 C ATOM 190 C GLY A 16 2.209 -11.481 -7.353 1.00 0.00 C ATOM 191 O GLY A 16 1.219 -11.608 -8.080 1.00 0.00 O ATOM 0 H GLY A 16 4.793 -10.180 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.415 -9.973 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.792 -11.606 -8.785 1.00 0.00 H new ATOM 195 N THR A 17 2.202 -11.751 -6.055 1.00 0.00 N ATOM 196 CA THR A 17 1.012 -12.219 -5.368 1.00 0.00 C ATOM 197 C THR A 17 -0.016 -11.097 -5.246 1.00 0.00 C ATOM 198 O THR A 17 0.337 -9.937 -5.025 1.00 0.00 O ATOM 199 CB THR A 17 1.370 -12.767 -3.971 1.00 0.00 C ATOM 200 OG1 THR A 17 2.310 -13.844 -4.102 1.00 0.00 O ATOM 201 CG2 THR A 17 0.135 -13.267 -3.235 1.00 0.00 C ATOM 0 H THR A 17 3.019 -11.651 -5.453 1.00 0.00 H new ATOM 0 HA THR A 17 0.577 -13.026 -5.957 1.00 0.00 H new ATOM 0 HB THR A 17 1.807 -11.953 -3.393 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.166 -13.581 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.424 -13.646 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.573 -12.447 -3.113 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.332 -14.067 -3.810 1.00 0.00 H new ATOM 209 N VAL A 18 -1.280 -11.453 -5.415 1.00 0.00 N ATOM 210 CA VAL A 18 -2.371 -10.497 -5.340 1.00 0.00 C ATOM 211 C VAL A 18 -2.706 -10.149 -3.892 1.00 0.00 C ATOM 212 O VAL A 18 -3.244 -10.976 -3.150 1.00 0.00 O ATOM 213 CB VAL A 18 -3.637 -11.044 -6.030 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.694 -9.959 -6.155 1.00 0.00 C ATOM 215 CG2 VAL A 18 -3.300 -11.627 -7.397 1.00 0.00 C ATOM 0 H VAL A 18 -1.577 -12.410 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.039 -9.596 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.041 -11.844 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.578 -10.367 -6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.963 -9.597 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.300 -9.133 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.208 -12.007 -7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.865 -10.851 -8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.585 -12.441 -7.279 1.00 0.00 H new ATOM 225 N VAL A 19 -2.362 -8.934 -3.493 1.00 0.00 N ATOM 226 CA VAL A 19 -2.647 -8.464 -2.147 1.00 0.00 C ATOM 227 C VAL A 19 -4.051 -7.871 -2.109 1.00 0.00 C ATOM 228 O VAL A 19 -4.283 -6.768 -2.610 1.00 0.00 O ATOM 229 CB VAL A 19 -1.629 -7.399 -1.681 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.827 -7.062 -0.210 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.204 -7.867 -1.933 1.00 0.00 C ATOM 0 H VAL A 19 -1.884 -8.254 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.572 -9.316 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.802 -6.494 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.098 -6.310 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.834 -6.673 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.691 -7.961 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.495 -7.101 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.022 -8.791 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.063 -8.045 -2.999 1.00 0.00 H new ATOM 241 N LYS A 20 -4.983 -8.616 -1.542 1.00 0.00 N ATOM 242 CA LYS A 20 -6.368 -8.178 -1.459 1.00 0.00 C ATOM 243 C LYS A 20 -6.589 -7.269 -0.252 1.00 0.00 C ATOM 244 O LYS A 20 -6.332 -7.658 0.890 1.00 0.00 O ATOM 245 CB LYS A 20 -7.299 -9.391 -1.379 1.00 0.00 C ATOM 246 CG LYS A 20 -8.774 -9.033 -1.435 1.00 0.00 C ATOM 247 CD LYS A 20 -9.657 -10.242 -1.157 1.00 0.00 C ATOM 248 CE LYS A 20 -9.637 -11.228 -2.314 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.580 -12.362 -2.098 1.00 0.00 N ATOM 0 H LYS A 20 -4.806 -9.532 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.596 -7.607 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.068 -10.070 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.100 -9.930 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.987 -8.251 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.013 -8.626 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.318 -10.740 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.680 -9.912 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.899 -10.710 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.627 -11.616 -2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.535 -13.010 -2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.316 -12.873 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.548 -11.995 -2.002 1.00 0.00 H new ATOM 263 N VAL A 21 -7.052 -6.055 -0.517 1.00 0.00 N ATOM 264 CA VAL A 21 -7.326 -5.085 0.535 1.00 0.00 C ATOM 265 C VAL A 21 -8.773 -4.616 0.444 1.00 0.00 C ATOM 266 O VAL A 21 -9.181 -4.033 -0.561 1.00 0.00 O ATOM 267 CB VAL A 21 -6.383 -3.860 0.440 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.744 -2.811 1.485 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.927 -4.288 0.591 1.00 0.00 C ATOM 0 H VAL A 21 -7.247 -5.716 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.153 -5.577 1.492 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.510 -3.413 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.067 -1.961 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.769 -2.476 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.655 -3.244 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.281 -3.413 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.787 -4.766 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.671 -4.992 -0.201 1.00 0.00 H new ATOM 279 N ALA A 22 -9.549 -4.884 1.484 1.00 0.00 N ATOM 280 CA ALA A 22 -10.946 -4.486 1.513 1.00 0.00 C ATOM 281 C ALA A 22 -11.290 -3.820 2.837 1.00 0.00 C ATOM 282 O ALA A 22 -11.179 -4.435 3.901 1.00 0.00 O ATOM 283 CB ALA A 22 -11.843 -5.690 1.279 1.00 0.00 C ATOM 0 H ALA A 22 -9.233 -5.376 2.320 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.113 -3.764 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.887 -5.376 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.618 -6.128 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.668 -6.431 2.059 1.00 0.00 H new ATOM 289 N GLY A 23 -11.694 -2.564 2.775 1.00 0.00 N ATOM 290 CA GLY A 23 -12.046 -1.842 3.977 1.00 0.00 C ATOM 291 C GLY A 23 -13.508 -1.450 4.001 1.00 0.00 C ATOM 292 O GLY A 23 -14.038 -0.953 3.003 1.00 0.00 O ATOM 0 H GLY A 23 -11.785 -2.029 1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.823 -2.458 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.430 -0.946 4.054 1.00 0.00 H new ATOM 296 N ALA A 24 -14.158 -1.685 5.134 1.00 0.00 N ATOM 297 CA ALA A 24 -15.563 -1.351 5.303 1.00 0.00 C ATOM 298 C ALA A 24 -15.729 -0.388 6.471 1.00 0.00 C ATOM 299 O ALA A 24 -14.977 -0.449 7.449 1.00 0.00 O ATOM 300 CB ALA A 24 -16.387 -2.612 5.526 1.00 0.00 C ATOM 0 H ALA A 24 -13.728 -2.110 5.956 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.923 -0.867 4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.436 -2.344 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.281 -3.273 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.034 -3.123 6.422 1.00 0.00 H new ATOM 306 N GLY A 25 -16.711 0.494 6.368 1.00 0.00 N ATOM 307 CA GLY A 25 -16.945 1.468 7.414 1.00 0.00 C ATOM 308 C GLY A 25 -16.060 2.682 7.246 1.00 0.00 C ATOM 309 O GLY A 25 -15.600 3.273 8.225 1.00 0.00 O ATOM 0 H GLY A 25 -17.352 0.553 5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.991 1.774 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.759 1.012 8.386 1.00 0.00 H new ATOM 313 N LEU A 26 -15.810 3.043 5.996 1.00 0.00 N ATOM 314 CA LEU A 26 -14.973 4.186 5.676 1.00 0.00 C ATOM 315 C LEU A 26 -15.835 5.331 5.162 1.00 0.00 C ATOM 316 O LEU A 26 -17.046 5.178 4.998 1.00 0.00 O ATOM 317 CB LEU A 26 -13.935 3.802 4.616 1.00 0.00 C ATOM 318 CG LEU A 26 -13.177 2.497 4.875 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.309 2.134 3.678 1.00 0.00 C ATOM 320 CD2 LEU A 26 -12.331 2.616 6.130 1.00 0.00 C ATOM 0 H LEU A 26 -16.180 2.554 5.181 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.453 4.505 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.438 3.724 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.210 4.612 4.533 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.905 1.700 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.779 1.204 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.938 2.007 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.588 2.931 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.799 1.680 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.612 3.426 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.975 2.828 6.984 1.00 0.00 H new ATOM 332 N GLN A 27 -15.219 6.472 4.905 1.00 0.00 N ATOM 333 CA GLN A 27 -15.944 7.632 4.410 1.00 0.00 C ATOM 334 C GLN A 27 -16.352 7.430 2.951 1.00 0.00 C ATOM 335 O GLN A 27 -15.508 7.413 2.056 1.00 0.00 O ATOM 336 CB GLN A 27 -15.079 8.883 4.543 1.00 0.00 C ATOM 337 CG GLN A 27 -15.879 10.168 4.653 1.00 0.00 C ATOM 338 CD GLN A 27 -16.478 10.358 6.033 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.919 9.904 7.035 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.618 11.023 6.097 1.00 0.00 N ATOM 0 H GLN A 27 -14.218 6.621 5.031 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.847 7.757 5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.445 8.784 5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.417 8.950 3.680 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.234 11.015 4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.677 10.161 3.911 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.048 11.382 5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.068 11.177 6.999 1.00 0.00 H new ATOM 349 N ALA A 28 -17.647 7.279 2.719 1.00 0.00 N ATOM 350 CA ALA A 28 -18.164 7.070 1.374 1.00 0.00 C ATOM 351 C ALA A 28 -17.914 8.289 0.494 1.00 0.00 C ATOM 352 O ALA A 28 -18.374 9.389 0.801 1.00 0.00 O ATOM 353 CB ALA A 28 -19.652 6.756 1.429 1.00 0.00 C ATOM 0 H ALA A 28 -18.362 7.297 3.447 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.637 6.223 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -20.029 6.601 0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.812 5.853 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -20.183 7.589 1.891 1.00 0.00 H new ATOM 359 N GLY A 29 -17.177 8.095 -0.593 1.00 0.00 N ATOM 360 CA GLY A 29 -16.895 9.193 -1.495 1.00 0.00 C ATOM 361 C GLY A 29 -15.465 9.690 -1.411 1.00 0.00 C ATOM 362 O GLY A 29 -15.145 10.750 -1.952 1.00 0.00 O ATOM 0 H GLY A 29 -16.771 7.200 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.102 8.876 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.572 10.018 -1.274 1.00 0.00 H new ATOM 366 N THR A 30 -14.604 8.939 -0.735 1.00 0.00 N ATOM 367 CA THR A 30 -13.205 9.328 -0.602 1.00 0.00 C ATOM 368 C THR A 30 -12.313 8.446 -1.471 1.00 0.00 C ATOM 369 O THR A 30 -12.785 7.482 -2.077 1.00 0.00 O ATOM 370 CB THR A 30 -12.726 9.252 0.861 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.024 7.964 1.417 1.00 0.00 O ATOM 372 CG2 THR A 30 -13.376 10.347 1.695 1.00 0.00 C ATOM 0 H THR A 30 -14.847 8.063 -0.273 1.00 0.00 H new ATOM 0 HA THR A 30 -13.131 10.363 -0.936 1.00 0.00 H new ATOM 0 HB THR A 30 -11.646 9.400 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.945 7.957 1.752 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.025 10.277 2.725 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.110 11.322 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.459 10.228 1.672 1.00 0.00 H new ATOM 380 N ALA A 31 -11.032 8.779 -1.526 1.00 0.00 N ATOM 381 CA ALA A 31 -10.075 8.022 -2.313 1.00 0.00 C ATOM 382 C ALA A 31 -8.973 7.463 -1.423 1.00 0.00 C ATOM 383 O ALA A 31 -8.321 8.206 -0.688 1.00 0.00 O ATOM 384 CB ALA A 31 -9.482 8.895 -3.411 1.00 0.00 C ATOM 0 H ALA A 31 -10.631 9.575 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.597 7.186 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.767 8.313 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.279 9.248 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.975 9.750 -2.963 1.00 0.00 H new ATOM 390 N TYR A 32 -8.773 6.157 -1.486 1.00 0.00 N ATOM 391 CA TYR A 32 -7.753 5.503 -0.688 1.00 0.00 C ATOM 392 C TYR A 32 -6.546 5.142 -1.541 1.00 0.00 C ATOM 393 O TYR A 32 -6.662 4.395 -2.512 1.00 0.00 O ATOM 394 CB TYR A 32 -8.314 4.249 -0.022 1.00 0.00 C ATOM 395 CG TYR A 32 -8.586 4.428 1.456 1.00 0.00 C ATOM 396 CD1 TYR A 32 -7.569 4.274 2.391 1.00 0.00 C ATOM 397 CD2 TYR A 32 -9.857 4.754 1.917 1.00 0.00 C ATOM 398 CE1 TYR A 32 -7.811 4.439 3.741 1.00 0.00 C ATOM 399 CE2 TYR A 32 -10.104 4.922 3.267 1.00 0.00 C ATOM 400 CZ TYR A 32 -9.077 4.761 4.173 1.00 0.00 C ATOM 401 OH TYR A 32 -9.317 4.923 5.517 1.00 0.00 O ATOM 0 H TYR A 32 -9.307 5.527 -2.085 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.435 6.201 0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.239 3.963 -0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.610 3.428 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.574 4.021 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.664 4.878 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.010 4.316 4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.096 5.178 3.610 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.260 5.149 5.656 1.00 0.00 H new ATOM 411 N ASP A 33 -5.398 5.685 -1.173 1.00 0.00 N ATOM 412 CA ASP A 33 -4.154 5.429 -1.882 1.00 0.00 C ATOM 413 C ASP A 33 -3.523 4.156 -1.338 1.00 0.00 C ATOM 414 O ASP A 33 -3.087 4.113 -0.186 1.00 0.00 O ATOM 415 CB ASP A 33 -3.193 6.604 -1.700 1.00 0.00 C ATOM 416 CG ASP A 33 -2.274 6.810 -2.887 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.579 5.859 -3.286 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.236 7.943 -3.419 1.00 0.00 O ATOM 0 H ASP A 33 -5.301 6.314 -0.376 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.361 5.310 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.769 7.514 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.591 6.438 -0.807 1.00 0.00 H new ATOM 423 N VAL A 34 -3.509 3.114 -2.154 1.00 0.00 N ATOM 424 CA VAL A 34 -2.950 1.830 -1.746 1.00 0.00 C ATOM 425 C VAL A 34 -1.691 1.506 -2.541 1.00 0.00 C ATOM 426 O VAL A 34 -1.709 1.506 -3.774 1.00 0.00 O ATOM 427 CB VAL A 34 -3.970 0.684 -1.941 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.475 -0.601 -1.289 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.340 1.072 -1.399 1.00 0.00 C ATOM 0 H VAL A 34 -3.878 3.130 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.703 1.914 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.070 0.505 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.210 -1.392 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.527 -0.896 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.334 -0.436 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.037 0.248 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.261 1.291 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.703 1.955 -1.925 1.00 0.00 H new ATOM 439 N GLY A 35 -0.602 1.234 -1.832 1.00 0.00 N ATOM 440 CA GLY A 35 0.643 0.902 -2.485 1.00 0.00 C ATOM 441 C GLY A 35 1.467 -0.072 -1.669 1.00 0.00 C ATOM 442 O GLY A 35 1.373 -0.100 -0.442 1.00 0.00 O ATOM 0 H GLY A 35 -0.563 1.238 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.435 0.470 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.219 1.812 -2.653 1.00 0.00 H new ATOM 446 N GLN A 36 2.272 -0.882 -2.345 1.00 0.00 N ATOM 447 CA GLN A 36 3.125 -1.849 -1.665 1.00 0.00 C ATOM 448 C GLN A 36 4.399 -1.160 -1.174 1.00 0.00 C ATOM 449 O GLN A 36 5.509 -1.472 -1.602 1.00 0.00 O ATOM 450 CB GLN A 36 3.457 -3.022 -2.593 1.00 0.00 C ATOM 451 CG GLN A 36 3.986 -2.599 -3.959 1.00 0.00 C ATOM 452 CD GLN A 36 5.142 -3.456 -4.429 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.300 -3.708 -5.618 1.00 0.00 O ATOM 454 NE2 GLN A 36 5.970 -3.899 -3.497 1.00 0.00 N ATOM 0 H GLN A 36 2.352 -0.889 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 36 2.592 -2.249 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.198 -3.657 -2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.561 -3.627 -2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.179 -2.653 -4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.306 -1.558 -3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.805 -3.668 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.773 -4.471 -3.758 1.00 0.00 H new ATOM 463 N CYS A 37 4.212 -0.205 -0.281 1.00 0.00 N ATOM 464 CA CYS A 37 5.313 0.570 0.270 1.00 0.00 C ATOM 465 C CYS A 37 6.190 -0.264 1.189 1.00 0.00 C ATOM 466 O CYS A 37 5.761 -0.671 2.263 1.00 0.00 O ATOM 467 CB CYS A 37 4.762 1.773 1.033 1.00 0.00 C ATOM 468 SG CYS A 37 3.269 2.500 0.277 1.00 0.00 S ATOM 0 H CYS A 37 3.296 0.056 0.083 1.00 0.00 H new ATOM 0 HA CYS A 37 5.932 0.907 -0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.530 1.469 2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.536 2.538 1.096 1.00 0.00 H new ATOM 473 N ALA A 38 7.418 -0.506 0.759 1.00 0.00 N ATOM 474 CA ALA A 38 8.369 -1.277 1.543 1.00 0.00 C ATOM 475 C ALA A 38 9.281 -0.345 2.326 1.00 0.00 C ATOM 476 O ALA A 38 9.307 0.861 2.069 1.00 0.00 O ATOM 477 CB ALA A 38 9.189 -2.182 0.640 1.00 0.00 C ATOM 0 H ALA A 38 7.781 -0.177 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 38 7.817 -1.899 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.896 -2.752 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.526 -2.868 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.734 -1.576 -0.084 1.00 0.00 H new ATOM 483 N TRP A 39 10.017 -0.896 3.282 1.00 0.00 N ATOM 484 CA TRP A 39 10.932 -0.106 4.096 1.00 0.00 C ATOM 485 C TRP A 39 12.020 0.517 3.229 1.00 0.00 C ATOM 486 O TRP A 39 12.785 -0.192 2.569 1.00 0.00 O ATOM 487 CB TRP A 39 11.566 -0.977 5.181 1.00 0.00 C ATOM 488 CG TRP A 39 11.173 -0.583 6.567 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.908 -0.362 7.028 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.051 -0.369 7.678 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.943 -0.024 8.359 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.248 -0.023 8.782 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.436 -0.440 7.848 1.00 0.00 C ATOM 494 CZ2 TRP A 39 11.785 0.251 10.037 1.00 0.00 C ATOM 495 CZ3 TRP A 39 13.969 -0.165 9.093 1.00 0.00 C ATOM 496 CH2 TRP A 39 13.145 0.174 10.174 1.00 0.00 C ATOM 0 H TRP A 39 9.998 -1.889 3.513 1.00 0.00 H new ATOM 0 HA TRP A 39 10.363 0.693 4.571 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.283 -2.016 5.013 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.651 -0.924 5.091 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.010 -0.441 6.433 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.131 0.191 8.938 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.078 -0.705 7.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.152 0.515 10.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.039 -0.212 9.235 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.592 0.379 11.136 1.00 0.00 H new ATOM 507 N VAL A 40 12.076 1.845 3.221 1.00 0.00 N ATOM 508 CA VAL A 40 13.070 2.564 2.439 1.00 0.00 C ATOM 509 C VAL A 40 14.081 3.240 3.365 1.00 0.00 C ATOM 510 O VAL A 40 15.163 3.640 2.940 1.00 0.00 O ATOM 511 CB VAL A 40 12.409 3.612 1.509 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.946 4.838 2.285 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.354 4.000 0.382 1.00 0.00 C ATOM 0 H VAL A 40 11.442 2.444 3.749 1.00 0.00 H new ATOM 0 HA VAL A 40 13.589 1.841 1.810 1.00 0.00 H new ATOM 0 HB VAL A 40 11.522 3.155 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.488 5.551 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.217 4.538 3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.802 5.304 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.871 4.737 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.265 4.426 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.603 3.116 -0.204 1.00 0.00 H new ATOM 523 N ASP A 41 13.713 3.346 4.632 1.00 0.00 N ATOM 524 CA ASP A 41 14.562 3.955 5.646 1.00 0.00 C ATOM 525 C ASP A 41 14.043 3.546 7.015 1.00 0.00 C ATOM 526 O ASP A 41 13.096 2.765 7.106 1.00 0.00 O ATOM 527 CB ASP A 41 14.565 5.486 5.512 1.00 0.00 C ATOM 528 CG ASP A 41 15.868 6.117 5.964 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.120 6.167 7.187 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.642 6.579 5.100 1.00 0.00 O ATOM 0 H ASP A 41 12.817 3.012 4.987 1.00 0.00 H new ATOM 0 HA ASP A 41 15.588 3.611 5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.379 5.755 4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.745 5.898 6.100 1.00 0.00 H new ATOM 535 N THR A 42 14.638 4.068 8.070 1.00 0.00 N ATOM 536 CA THR A 42 14.211 3.736 9.416 1.00 0.00 C ATOM 537 C THR A 42 12.908 4.453 9.758 1.00 0.00 C ATOM 538 O THR A 42 12.912 5.595 10.218 1.00 0.00 O ATOM 539 CB THR A 42 15.293 4.104 10.442 1.00 0.00 C ATOM 540 OG1 THR A 42 16.588 3.897 9.866 1.00 0.00 O ATOM 541 CG2 THR A 42 15.151 3.262 11.698 1.00 0.00 C ATOM 0 H THR A 42 15.418 4.723 8.022 1.00 0.00 H new ATOM 0 HA THR A 42 14.045 2.660 9.457 1.00 0.00 H new ATOM 0 HB THR A 42 15.174 5.153 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.279 4.133 10.520 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.927 3.539 12.411 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.171 3.435 12.143 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.253 2.207 11.442 1.00 0.00 H new ATOM 549 N GLY A 43 11.797 3.779 9.498 1.00 0.00 N ATOM 550 CA GLY A 43 10.493 4.349 9.773 1.00 0.00 C ATOM 551 C GLY A 43 9.853 4.905 8.520 1.00 0.00 C ATOM 552 O GLY A 43 8.647 5.149 8.476 1.00 0.00 O ATOM 0 H GLY A 43 11.776 2.841 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.846 3.586 10.205 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.591 5.142 10.515 1.00 0.00 H new ATOM 556 N VAL A 44 10.670 5.099 7.497 1.00 0.00 N ATOM 557 CA VAL A 44 10.199 5.632 6.229 1.00 0.00 C ATOM 558 C VAL A 44 9.967 4.498 5.240 1.00 0.00 C ATOM 559 O VAL A 44 10.808 3.609 5.091 1.00 0.00 O ATOM 560 CB VAL A 44 11.200 6.641 5.626 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.575 7.396 4.465 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.691 7.613 6.686 1.00 0.00 C ATOM 0 H VAL A 44 11.669 4.894 7.521 1.00 0.00 H new ATOM 0 HA VAL A 44 9.262 6.155 6.421 1.00 0.00 H new ATOM 0 HB VAL A 44 12.056 6.080 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.300 8.101 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.279 6.690 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.697 7.940 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.395 8.314 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.844 8.162 7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.187 7.061 7.484 1.00 0.00 H new ATOM 572 N LEU A 45 8.823 4.528 4.580 1.00 0.00 N ATOM 573 CA LEU A 45 8.470 3.511 3.599 1.00 0.00 C ATOM 574 C LEU A 45 8.432 4.133 2.208 1.00 0.00 C ATOM 575 O LEU A 45 8.486 5.353 2.077 1.00 0.00 O ATOM 576 CB LEU A 45 7.114 2.881 3.941 1.00 0.00 C ATOM 577 CG LEU A 45 7.066 2.103 5.261 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.657 3.013 6.410 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.113 0.926 5.147 1.00 0.00 C ATOM 0 H LEU A 45 8.115 5.252 4.706 1.00 0.00 H new ATOM 0 HA LEU A 45 9.224 2.724 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.364 3.671 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.830 2.208 3.132 1.00 0.00 H new ATOM 0 HG LEU A 45 8.065 1.721 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.630 2.439 7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.379 3.824 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.669 3.428 6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.090 0.384 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.112 1.289 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.452 0.259 4.354 1.00 0.00 H new ATOM 591 N ALA A 46 8.368 3.303 1.175 1.00 0.00 N ATOM 592 CA ALA A 46 8.320 3.796 -0.195 1.00 0.00 C ATOM 593 C ALA A 46 7.650 2.784 -1.116 1.00 0.00 C ATOM 594 O ALA A 46 7.967 1.594 -1.080 1.00 0.00 O ATOM 595 CB ALA A 46 9.724 4.117 -0.686 1.00 0.00 C ATOM 0 H ALA A 46 8.348 2.287 1.260 1.00 0.00 H new ATOM 0 HA ALA A 46 7.725 4.709 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.676 4.485 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.167 4.881 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.336 3.216 -0.652 1.00 0.00 H new ATOM 601 N CYS A 47 6.715 3.255 -1.927 1.00 0.00 N ATOM 602 CA CYS A 47 5.997 2.387 -2.859 1.00 0.00 C ATOM 603 C CYS A 47 6.150 2.884 -4.291 1.00 0.00 C ATOM 604 O CYS A 47 6.547 4.026 -4.516 1.00 0.00 O ATOM 605 CB CYS A 47 4.514 2.318 -2.491 1.00 0.00 C ATOM 606 SG CYS A 47 3.984 3.581 -1.287 1.00 0.00 S ATOM 0 H CYS A 47 6.433 4.235 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 47 6.428 1.389 -2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.920 2.426 -3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.298 1.330 -2.084 1.00 0.00 H new ATOM 611 N ASN A 48 5.836 2.025 -5.250 1.00 0.00 N ATOM 612 CA ASN A 48 5.937 2.379 -6.658 1.00 0.00 C ATOM 613 C ASN A 48 4.574 2.787 -7.219 1.00 0.00 C ATOM 614 O ASN A 48 3.592 2.051 -7.107 1.00 0.00 O ATOM 615 CB ASN A 48 6.524 1.214 -7.475 1.00 0.00 C ATOM 616 CG ASN A 48 5.732 -0.081 -7.351 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.116 -0.361 -6.321 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.749 -0.884 -8.404 1.00 0.00 N ATOM 0 H ASN A 48 5.508 1.075 -5.078 1.00 0.00 H new ATOM 0 HA ASN A 48 6.611 3.232 -6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.567 1.504 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.549 1.035 -7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.241 -1.768 -8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.270 -0.618 -9.240 1.00 0.00 H new ATOM 625 N PRO A 49 4.495 3.980 -7.832 1.00 0.00 N ATOM 626 CA PRO A 49 3.248 4.496 -8.413 1.00 0.00 C ATOM 627 C PRO A 49 2.817 3.726 -9.662 1.00 0.00 C ATOM 628 O PRO A 49 1.725 3.936 -10.185 1.00 0.00 O ATOM 629 CB PRO A 49 3.590 5.943 -8.769 1.00 0.00 C ATOM 630 CG PRO A 49 5.064 5.950 -8.952 1.00 0.00 C ATOM 631 CD PRO A 49 5.609 4.933 -7.990 1.00 0.00 C ATOM 0 HA PRO A 49 2.412 4.399 -7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.077 6.259 -9.677 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.286 6.628 -7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.330 5.697 -9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.477 6.938 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.501 4.446 -8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.887 5.388 -7.039 1.00 0.00 H new ATOM 639 N ALA A 50 3.677 2.838 -10.138 1.00 0.00 N ATOM 640 CA ALA A 50 3.367 2.040 -11.315 1.00 0.00 C ATOM 641 C ALA A 50 2.539 0.814 -10.948 1.00 0.00 C ATOM 642 O ALA A 50 2.032 0.114 -11.823 1.00 0.00 O ATOM 643 CB ALA A 50 4.640 1.620 -12.027 1.00 0.00 C ATOM 0 H ALA A 50 4.593 2.652 -9.729 1.00 0.00 H new ATOM 0 HA ALA A 50 2.776 2.659 -11.990 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.387 1.024 -12.904 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.193 2.507 -12.338 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.256 1.027 -11.351 1.00 0.00 H new ATOM 649 N ASP A 51 2.411 0.543 -9.652 1.00 0.00 N ATOM 650 CA ASP A 51 1.634 -0.604 -9.196 1.00 0.00 C ATOM 651 C ASP A 51 0.606 -0.198 -8.152 1.00 0.00 C ATOM 652 O ASP A 51 -0.199 -1.017 -7.712 1.00 0.00 O ATOM 653 CB ASP A 51 2.546 -1.681 -8.622 1.00 0.00 C ATOM 654 CG ASP A 51 2.754 -2.830 -9.583 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.776 -3.549 -9.883 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.895 -3.014 -10.057 1.00 0.00 O ATOM 0 H ASP A 51 2.831 1.097 -8.906 1.00 0.00 H new ATOM 0 HA ASP A 51 1.108 -1.004 -10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.511 -1.241 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.118 -2.060 -7.694 1.00 0.00 H new ATOM 661 N PHE A 52 0.633 1.067 -7.756 1.00 0.00 N ATOM 662 CA PHE A 52 -0.306 1.573 -6.765 1.00 0.00 C ATOM 663 C PHE A 52 -1.728 1.556 -7.323 1.00 0.00 C ATOM 664 O PHE A 52 -1.927 1.509 -8.539 1.00 0.00 O ATOM 665 CB PHE A 52 0.091 2.994 -6.328 1.00 0.00 C ATOM 666 CG PHE A 52 -0.711 4.092 -6.974 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.557 4.387 -8.317 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.622 4.823 -6.233 1.00 0.00 C ATOM 669 CE1 PHE A 52 -1.297 5.390 -8.909 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.364 5.827 -6.818 1.00 0.00 C ATOM 671 CZ PHE A 52 -2.202 6.110 -8.159 1.00 0.00 C ATOM 0 H PHE A 52 1.294 1.761 -8.105 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.274 0.924 -5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.016 3.071 -5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.146 3.149 -6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.151 3.826 -8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.754 4.605 -5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.167 5.611 -9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.071 6.391 -6.228 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.784 6.895 -8.620 1.00 0.00 H new ATOM 681 N SER A 53 -2.707 1.578 -6.439 1.00 0.00 N ATOM 682 CA SER A 53 -4.098 1.583 -6.848 1.00 0.00 C ATOM 683 C SER A 53 -4.920 2.455 -5.907 1.00 0.00 C ATOM 684 O SER A 53 -5.108 2.120 -4.738 1.00 0.00 O ATOM 685 CB SER A 53 -4.650 0.155 -6.882 1.00 0.00 C ATOM 686 OG SER A 53 -3.974 -0.627 -7.855 1.00 0.00 O ATOM 0 H SER A 53 -2.564 1.593 -5.429 1.00 0.00 H new ATOM 0 HA SER A 53 -4.166 1.999 -7.853 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.540 -0.305 -5.900 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.717 0.178 -7.106 1.00 0.00 H new ATOM 0 HG SER A 53 -4.342 -1.535 -7.858 1.00 0.00 H new ATOM 692 N SER A 54 -5.383 3.585 -6.416 1.00 0.00 N ATOM 693 CA SER A 54 -6.183 4.503 -5.625 1.00 0.00 C ATOM 694 C SER A 54 -7.659 4.120 -5.714 1.00 0.00 C ATOM 695 O SER A 54 -8.391 4.614 -6.575 1.00 0.00 O ATOM 696 CB SER A 54 -5.968 5.940 -6.109 1.00 0.00 C ATOM 697 OG SER A 54 -5.508 5.958 -7.454 1.00 0.00 O ATOM 0 H SER A 54 -5.218 3.888 -7.376 1.00 0.00 H new ATOM 0 HA SER A 54 -5.871 4.440 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.901 6.498 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.244 6.440 -5.466 1.00 0.00 H new ATOM 0 HG SER A 54 -4.528 5.956 -7.465 1.00 0.00 H new ATOM 703 N VAL A 55 -8.082 3.226 -4.830 1.00 0.00 N ATOM 704 CA VAL A 55 -9.460 2.764 -4.810 1.00 0.00 C ATOM 705 C VAL A 55 -10.373 3.783 -4.125 1.00 0.00 C ATOM 706 O VAL A 55 -10.060 4.304 -3.054 1.00 0.00 O ATOM 707 CB VAL A 55 -9.585 1.383 -4.122 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.096 1.430 -2.684 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.017 0.878 -4.190 1.00 0.00 C ATOM 0 H VAL A 55 -7.487 2.806 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.779 2.656 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.947 0.684 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.199 0.443 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.048 1.730 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.690 2.150 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.084 -0.094 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.676 1.584 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.319 0.781 -5.233 1.00 0.00 H new ATOM 719 N THR A 56 -11.484 4.091 -4.771 1.00 0.00 N ATOM 720 CA THR A 56 -12.437 5.040 -4.228 1.00 0.00 C ATOM 721 C THR A 56 -13.487 4.322 -3.385 1.00 0.00 C ATOM 722 O THR A 56 -13.846 3.172 -3.662 1.00 0.00 O ATOM 723 CB THR A 56 -13.119 5.850 -5.354 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.922 6.896 -4.797 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.979 4.957 -6.234 1.00 0.00 C ATOM 0 H THR A 56 -11.748 3.696 -5.674 1.00 0.00 H new ATOM 0 HA THR A 56 -11.890 5.735 -3.591 1.00 0.00 H new ATOM 0 HB THR A 56 -12.334 6.286 -5.971 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.600 7.112 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.445 5.557 -7.016 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.356 4.187 -6.690 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.753 4.486 -5.628 1.00 0.00 H new ATOM 733 N ALA A 57 -13.952 4.986 -2.340 1.00 0.00 N ATOM 734 CA ALA A 57 -14.962 4.418 -1.466 1.00 0.00 C ATOM 735 C ALA A 57 -16.337 4.573 -2.097 1.00 0.00 C ATOM 736 O ALA A 57 -16.726 5.680 -2.483 1.00 0.00 O ATOM 737 CB ALA A 57 -14.922 5.089 -0.102 1.00 0.00 C ATOM 0 H ALA A 57 -13.644 5.922 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.755 3.357 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.686 4.652 0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.940 4.941 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.112 6.156 -0.216 1.00 0.00 H new ATOM 743 N ASP A 58 -17.056 3.465 -2.207 1.00 0.00 N ATOM 744 CA ASP A 58 -18.389 3.462 -2.800 1.00 0.00 C ATOM 745 C ASP A 58 -19.402 4.139 -1.884 1.00 0.00 C ATOM 746 O ASP A 58 -19.061 4.604 -0.795 1.00 0.00 O ATOM 747 CB ASP A 58 -18.838 2.028 -3.112 1.00 0.00 C ATOM 748 CG ASP A 58 -18.659 1.077 -1.941 1.00 0.00 C ATOM 749 OD1 ASP A 58 -19.072 1.419 -0.817 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.106 -0.023 -2.143 1.00 0.00 O ATOM 0 H ASP A 58 -16.737 2.549 -1.891 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.339 4.027 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.888 2.039 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.272 1.654 -3.965 1.00 0.00 H new ATOM 755 N ALA A 59 -20.657 4.162 -2.320 1.00 0.00 N ATOM 756 CA ALA A 59 -21.734 4.787 -1.558 1.00 0.00 C ATOM 757 C ALA A 59 -22.015 4.040 -0.257 1.00 0.00 C ATOM 758 O ALA A 59 -22.682 4.565 0.635 1.00 0.00 O ATOM 759 CB ALA A 59 -22.997 4.872 -2.403 1.00 0.00 C ATOM 0 H ALA A 59 -20.956 3.751 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.411 5.794 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.792 5.340 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.799 5.468 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.305 3.869 -2.698 1.00 0.00 H new ATOM 765 N ASN A 60 -21.495 2.824 -0.139 1.00 0.00 N ATOM 766 CA ASN A 60 -21.700 2.026 1.064 1.00 0.00 C ATOM 767 C ASN A 60 -20.590 2.293 2.071 1.00 0.00 C ATOM 768 O ASN A 60 -20.659 1.859 3.223 1.00 0.00 O ATOM 769 CB ASN A 60 -21.752 0.533 0.734 1.00 0.00 C ATOM 770 CG ASN A 60 -22.995 0.147 -0.043 1.00 0.00 C ATOM 771 OD1 ASN A 60 -24.046 0.779 0.081 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.885 -0.900 -0.850 1.00 0.00 N ATOM 0 H ASN A 60 -20.931 2.371 -0.858 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.657 2.316 1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.869 0.262 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.715 -0.041 1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.689 -1.209 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.997 -1.396 -0.924 1.00 0.00 H new ATOM 779 N GLY A 61 -19.575 3.019 1.631 1.00 0.00 N ATOM 780 CA GLY A 61 -18.458 3.340 2.493 1.00 0.00 C ATOM 781 C GLY A 61 -17.444 2.220 2.535 1.00 0.00 C ATOM 782 O GLY A 61 -16.799 1.990 3.559 1.00 0.00 O ATOM 0 H GLY A 61 -19.505 3.394 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.977 4.253 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.822 3.539 3.501 1.00 0.00 H new ATOM 786 N SER A 62 -17.312 1.516 1.422 1.00 0.00 N ATOM 787 CA SER A 62 -16.377 0.411 1.329 1.00 0.00 C ATOM 788 C SER A 62 -15.424 0.601 0.149 1.00 0.00 C ATOM 789 O SER A 62 -15.755 1.272 -0.833 1.00 0.00 O ATOM 790 CB SER A 62 -17.145 -0.909 1.197 1.00 0.00 C ATOM 791 OG SER A 62 -18.491 -0.688 0.797 1.00 0.00 O ATOM 0 H SER A 62 -17.843 1.693 0.569 1.00 0.00 H new ATOM 0 HA SER A 62 -15.778 0.382 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.648 -1.550 0.469 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.129 -1.438 2.150 1.00 0.00 H new ATOM 0 HG SER A 62 -18.516 -0.457 -0.155 1.00 0.00 H new ATOM 797 N ALA A 63 -14.232 0.030 0.259 1.00 0.00 N ATOM 798 CA ALA A 63 -13.231 0.130 -0.794 1.00 0.00 C ATOM 799 C ALA A 63 -12.382 -1.134 -0.844 1.00 0.00 C ATOM 800 O ALA A 63 -11.790 -1.531 0.160 1.00 0.00 O ATOM 801 CB ALA A 63 -12.354 1.357 -0.567 1.00 0.00 C ATOM 0 H ALA A 63 -13.934 -0.510 1.071 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.739 0.237 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.609 1.423 -1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.974 2.254 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.852 1.272 0.397 1.00 0.00 H new ATOM 807 N SER A 64 -12.353 -1.784 -2.001 1.00 0.00 N ATOM 808 CA SER A 64 -11.572 -2.998 -2.174 1.00 0.00 C ATOM 809 C SER A 64 -10.682 -2.891 -3.407 1.00 0.00 C ATOM 810 O SER A 64 -11.114 -2.410 -4.457 1.00 0.00 O ATOM 811 CB SER A 64 -12.497 -4.208 -2.298 1.00 0.00 C ATOM 812 OG SER A 64 -13.520 -4.164 -1.317 1.00 0.00 O ATOM 0 H SER A 64 -12.863 -1.488 -2.833 1.00 0.00 H new ATOM 0 HA SER A 64 -10.937 -3.127 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.942 -4.230 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.919 -5.126 -2.186 1.00 0.00 H new ATOM 0 HG SER A 64 -14.102 -4.947 -1.415 1.00 0.00 H new ATOM 818 N THR A 65 -9.442 -3.328 -3.272 1.00 0.00 N ATOM 819 CA THR A 65 -8.493 -3.281 -4.367 1.00 0.00 C ATOM 820 C THR A 65 -7.505 -4.441 -4.279 1.00 0.00 C ATOM 821 O THR A 65 -7.416 -5.119 -3.252 1.00 0.00 O ATOM 822 CB THR A 65 -7.724 -1.941 -4.382 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.086 -1.756 -5.651 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.682 -1.882 -3.274 1.00 0.00 C ATOM 0 H THR A 65 -9.069 -3.722 -2.408 1.00 0.00 H new ATOM 0 HA THR A 65 -9.059 -3.367 -5.294 1.00 0.00 H new ATOM 0 HB THR A 65 -8.446 -1.142 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.301 -0.865 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.161 -0.926 -3.315 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.173 -1.986 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.965 -2.692 -3.406 1.00 0.00 H new ATOM 832 N SER A 66 -6.770 -4.661 -5.358 1.00 0.00 N ATOM 833 CA SER A 66 -5.785 -5.726 -5.415 1.00 0.00 C ATOM 834 C SER A 66 -4.424 -5.161 -5.818 1.00 0.00 C ATOM 835 O SER A 66 -4.239 -4.704 -6.947 1.00 0.00 O ATOM 836 CB SER A 66 -6.233 -6.804 -6.402 1.00 0.00 C ATOM 837 OG SER A 66 -7.532 -7.276 -6.082 1.00 0.00 O ATOM 0 H SER A 66 -6.840 -4.109 -6.213 1.00 0.00 H new ATOM 0 HA SER A 66 -5.693 -6.178 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.228 -6.400 -7.414 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.526 -7.634 -6.386 1.00 0.00 H new ATOM 0 HG SER A 66 -7.798 -7.963 -6.728 1.00 0.00 H new ATOM 843 N LEU A 67 -3.481 -5.193 -4.887 1.00 0.00 N ATOM 844 CA LEU A 67 -2.143 -4.670 -5.131 1.00 0.00 C ATOM 845 C LEU A 67 -1.182 -5.785 -5.531 1.00 0.00 C ATOM 846 O LEU A 67 -1.241 -6.891 -4.998 1.00 0.00 O ATOM 847 CB LEU A 67 -1.624 -3.962 -3.872 1.00 0.00 C ATOM 848 CG LEU A 67 -1.131 -2.519 -4.065 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.184 -2.497 -4.831 1.00 0.00 C ATOM 850 CD2 LEU A 67 -2.177 -1.683 -4.781 1.00 0.00 C ATOM 0 H LEU A 67 -3.618 -5.577 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.200 -3.957 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.421 -3.956 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.806 -4.552 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.962 -2.085 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.515 -1.466 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.938 -3.055 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.042 -2.954 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.806 -0.666 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.383 -2.117 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.094 -1.665 -4.192 1.00 0.00 H new ATOM 862 N THR A 68 -0.310 -5.489 -6.481 1.00 0.00 N ATOM 863 CA THR A 68 0.675 -6.451 -6.938 1.00 0.00 C ATOM 864 C THR A 68 2.036 -6.131 -6.328 1.00 0.00 C ATOM 865 O THR A 68 2.665 -5.137 -6.682 1.00 0.00 O ATOM 866 CB THR A 68 0.783 -6.444 -8.473 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.525 -6.341 -9.053 1.00 0.00 O ATOM 868 CG2 THR A 68 1.462 -7.712 -8.968 1.00 0.00 C ATOM 0 H THR A 68 -0.266 -4.585 -6.952 1.00 0.00 H new ATOM 0 HA THR A 68 0.355 -7.443 -6.619 1.00 0.00 H new ATOM 0 HB THR A 68 1.383 -5.585 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.450 -6.335 -10.030 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.529 -7.688 -10.056 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.464 -7.777 -8.544 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.880 -8.581 -8.659 1.00 0.00 H new ATOM 876 N VAL A 69 2.479 -6.967 -5.397 1.00 0.00 N ATOM 877 CA VAL A 69 3.759 -6.752 -4.737 1.00 0.00 C ATOM 878 C VAL A 69 4.921 -7.302 -5.572 1.00 0.00 C ATOM 879 O VAL A 69 4.963 -8.487 -5.915 1.00 0.00 O ATOM 880 CB VAL A 69 3.770 -7.365 -3.313 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.431 -8.850 -3.344 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.113 -7.135 -2.635 1.00 0.00 C ATOM 0 H VAL A 69 1.973 -7.796 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 69 3.895 -5.675 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 69 3.000 -6.860 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.448 -9.248 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.438 -8.988 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.165 -9.378 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.097 -7.574 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.903 -7.602 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.303 -6.064 -2.557 1.00 0.00 H new ATOM 892 N ARG A 70 5.847 -6.418 -5.921 1.00 0.00 N ATOM 893 CA ARG A 70 7.015 -6.792 -6.703 1.00 0.00 C ATOM 894 C ARG A 70 8.171 -7.167 -5.781 1.00 0.00 C ATOM 895 O ARG A 70 8.144 -6.870 -4.586 1.00 0.00 O ATOM 896 CB ARG A 70 7.444 -5.635 -7.611 1.00 0.00 C ATOM 897 CG ARG A 70 6.314 -5.059 -8.453 1.00 0.00 C ATOM 898 CD ARG A 70 5.842 -6.038 -9.522 1.00 0.00 C ATOM 899 NE ARG A 70 4.677 -5.533 -10.245 1.00 0.00 N ATOM 900 CZ ARG A 70 4.007 -6.217 -11.162 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.398 -7.438 -11.515 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.944 -5.668 -11.731 1.00 0.00 N ATOM 0 H ARG A 70 5.809 -5.430 -5.672 1.00 0.00 H new ATOM 0 HA ARG A 70 6.752 -7.652 -7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.866 -4.841 -6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.237 -5.981 -8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.477 -4.797 -7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.650 -4.137 -8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.653 -6.226 -10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.595 -6.993 -9.057 1.00 0.00 H new ATOM 0 HE ARG A 70 4.357 -4.589 -10.029 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.220 -7.856 -11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.876 -7.956 -12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.649 -4.729 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.420 -6.184 -12.438 1.00 0.00 H new ATOM 916 N ARG A 71 9.181 -7.815 -6.344 1.00 0.00 N ATOM 917 CA ARG A 71 10.358 -8.214 -5.583 1.00 0.00 C ATOM 918 C ARG A 71 11.319 -7.034 -5.469 1.00 0.00 C ATOM 919 O ARG A 71 11.802 -6.709 -4.387 1.00 0.00 O ATOM 920 CB ARG A 71 11.049 -9.397 -6.268 1.00 0.00 C ATOM 921 CG ARG A 71 12.207 -9.978 -5.477 1.00 0.00 C ATOM 922 CD ARG A 71 11.734 -10.963 -4.420 1.00 0.00 C ATOM 923 NE ARG A 71 10.976 -12.068 -5.007 1.00 0.00 N ATOM 924 CZ ARG A 71 10.798 -13.258 -4.427 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.368 -13.534 -3.258 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.063 -14.181 -5.033 1.00 0.00 N ATOM 0 H ARG A 71 9.209 -8.077 -7.329 1.00 0.00 H new ATOM 0 HA ARG A 71 10.053 -8.521 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.313 -10.182 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.414 -9.076 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.896 -10.479 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.761 -9.171 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.595 -11.359 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.113 -10.443 -3.691 1.00 0.00 H new ATOM 0 HE ARG A 71 10.554 -11.919 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.948 -12.834 -2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.226 -14.446 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.637 -13.980 -5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.924 -15.091 -4.594 1.00 0.00 H new ATOM 940 N SER A 72 11.590 -6.402 -6.597 1.00 0.00 N ATOM 941 CA SER A 72 12.467 -5.244 -6.644 1.00 0.00 C ATOM 942 C SER A 72 11.778 -4.138 -7.438 1.00 0.00 C ATOM 943 O SER A 72 11.445 -4.316 -8.611 1.00 0.00 O ATOM 944 CB SER A 72 13.810 -5.620 -7.274 1.00 0.00 C ATOM 945 OG SER A 72 14.283 -6.858 -6.758 1.00 0.00 O ATOM 0 H SER A 72 11.210 -6.675 -7.503 1.00 0.00 H new ATOM 0 HA SER A 72 12.666 -4.887 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.702 -5.690 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.541 -4.836 -7.077 1.00 0.00 H new ATOM 0 HG SER A 72 14.842 -6.692 -5.970 1.00 0.00 H new ATOM 951 N PHE A 73 11.547 -3.004 -6.793 1.00 0.00 N ATOM 952 CA PHE A 73 10.852 -1.893 -7.437 1.00 0.00 C ATOM 953 C PHE A 73 11.422 -0.549 -6.988 1.00 0.00 C ATOM 954 O PHE A 73 12.377 -0.495 -6.215 1.00 0.00 O ATOM 955 CB PHE A 73 9.350 -1.960 -7.116 1.00 0.00 C ATOM 956 CG PHE A 73 9.046 -1.963 -5.639 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.233 -3.109 -4.879 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.582 -0.820 -5.007 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.967 -3.112 -3.524 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.312 -0.819 -3.651 1.00 0.00 C ATOM 961 CZ PHE A 73 8.505 -1.967 -2.910 1.00 0.00 C ATOM 0 H PHE A 73 11.828 -2.827 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 73 10.998 -1.979 -8.514 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.850 -1.109 -7.579 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.931 -2.860 -7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.591 -4.011 -5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.429 0.082 -5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.121 -4.011 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.951 0.079 -3.172 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.295 -1.969 -1.851 1.00 0.00 H new ATOM 971 N GLU A 74 10.831 0.528 -7.484 1.00 0.00 N ATOM 972 CA GLU A 74 11.259 1.876 -7.141 1.00 0.00 C ATOM 973 C GLU A 74 10.427 2.413 -5.984 1.00 0.00 C ATOM 974 O GLU A 74 9.212 2.229 -5.945 1.00 0.00 O ATOM 975 CB GLU A 74 11.122 2.808 -8.352 1.00 0.00 C ATOM 976 CG GLU A 74 11.328 2.121 -9.695 1.00 0.00 C ATOM 977 CD GLU A 74 10.033 1.615 -10.297 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.547 0.543 -9.877 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.495 2.279 -11.209 1.00 0.00 O ATOM 0 H GLU A 74 10.045 0.493 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 74 12.307 1.838 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.131 3.262 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.845 3.618 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.797 2.819 -10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.017 1.285 -9.569 1.00 0.00 H new ATOM 986 N GLY A 75 11.082 3.070 -5.044 1.00 0.00 N ATOM 987 CA GLY A 75 10.382 3.621 -3.908 1.00 0.00 C ATOM 988 C GLY A 75 10.155 5.111 -4.048 1.00 0.00 C ATOM 989 O GLY A 75 11.094 5.863 -4.334 1.00 0.00 O ATOM 0 H GLY A 75 12.089 3.232 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.422 3.117 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.953 3.425 -3.001 1.00 0.00 H new ATOM 993 N PHE A 76 8.913 5.543 -3.856 1.00 0.00 N ATOM 994 CA PHE A 76 8.565 6.952 -3.962 1.00 0.00 C ATOM 995 C PHE A 76 8.039 7.445 -2.628 1.00 0.00 C ATOM 996 O PHE A 76 7.526 6.656 -1.839 1.00 0.00 O ATOM 997 CB PHE A 76 7.504 7.170 -5.048 1.00 0.00 C ATOM 998 CG PHE A 76 8.047 7.166 -6.452 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.836 6.124 -6.907 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.761 8.209 -7.315 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.331 6.121 -8.195 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.251 8.211 -8.606 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.038 7.166 -9.046 1.00 0.00 C ATOM 0 H PHE A 76 8.129 4.933 -3.625 1.00 0.00 H new ATOM 0 HA PHE A 76 9.459 7.512 -4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.746 6.391 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.005 8.122 -4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.067 5.302 -6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.148 9.031 -6.975 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.947 5.302 -8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.019 9.030 -9.271 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.424 7.167 -10.055 1.00 0.00 H new ATOM 1013 N LEU A 77 8.183 8.737 -2.371 1.00 0.00 N ATOM 1014 CA LEU A 77 7.707 9.325 -1.129 1.00 0.00 C ATOM 1015 C LEU A 77 6.195 9.521 -1.176 1.00 0.00 C ATOM 1016 O LEU A 77 5.574 9.376 -2.229 1.00 0.00 O ATOM 1017 CB LEU A 77 8.405 10.664 -0.867 1.00 0.00 C ATOM 1018 CG LEU A 77 9.906 10.576 -0.570 1.00 0.00 C ATOM 1019 CD1 LEU A 77 10.458 11.947 -0.222 1.00 0.00 C ATOM 1020 CD2 LEU A 77 10.171 9.603 0.567 1.00 0.00 C ATOM 0 H LEU A 77 8.627 9.399 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 77 7.945 8.642 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.261 11.306 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.913 11.152 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 77 10.410 10.210 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.525 11.868 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.302 12.626 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.944 12.333 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.242 9.555 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.653 9.942 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.808 8.613 0.291 1.00 0.00 H new ATOM 1032 N PHE A 78 5.616 9.875 -0.035 1.00 0.00 N ATOM 1033 CA PHE A 78 4.175 10.089 0.076 1.00 0.00 C ATOM 1034 C PHE A 78 3.718 11.221 -0.839 1.00 0.00 C ATOM 1035 O PHE A 78 2.600 11.209 -1.354 1.00 0.00 O ATOM 1036 CB PHE A 78 3.807 10.422 1.525 1.00 0.00 C ATOM 1037 CG PHE A 78 2.670 9.608 2.076 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.623 9.208 1.264 1.00 0.00 C ATOM 1039 CD2 PHE A 78 2.653 9.249 3.412 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.577 8.464 1.777 1.00 0.00 C ATOM 1041 CE2 PHE A 78 1.612 8.506 3.930 1.00 0.00 C ATOM 1042 CZ PHE A 78 0.572 8.112 3.113 1.00 0.00 C ATOM 0 H PHE A 78 6.127 10.022 0.836 1.00 0.00 H new ATOM 0 HA PHE A 78 3.671 9.172 -0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.684 10.272 2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.546 11.478 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.623 9.480 0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.464 9.554 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.235 8.158 1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.611 8.233 4.975 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.243 7.530 3.517 1.00 0.00 H new ATOM 1052 N ASP A 79 4.589 12.200 -1.042 1.00 0.00 N ATOM 1053 CA ASP A 79 4.265 13.340 -1.890 1.00 0.00 C ATOM 1054 C ASP A 79 4.450 13.001 -3.369 1.00 0.00 C ATOM 1055 O ASP A 79 3.871 13.655 -4.239 1.00 0.00 O ATOM 1056 CB ASP A 79 5.117 14.553 -1.508 1.00 0.00 C ATOM 1057 CG ASP A 79 6.322 14.742 -2.404 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.279 13.948 -2.296 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.317 15.687 -3.224 1.00 0.00 O ATOM 0 H ASP A 79 5.523 12.228 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 79 3.215 13.587 -1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.499 15.450 -1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.453 14.443 -0.477 1.00 0.00 H new ATOM 1064 N GLY A 80 5.258 11.986 -3.653 1.00 0.00 N ATOM 1065 CA GLY A 80 5.481 11.591 -5.028 1.00 0.00 C ATOM 1066 C GLY A 80 6.937 11.672 -5.446 1.00 0.00 C ATOM 1067 O GLY A 80 7.302 11.180 -6.511 1.00 0.00 O ATOM 0 H GLY A 80 5.760 11.433 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.126 10.570 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.886 12.228 -5.683 1.00 0.00 H new ATOM 1071 N THR A 81 7.770 12.299 -4.626 1.00 0.00 N ATOM 1072 CA THR A 81 9.191 12.422 -4.940 1.00 0.00 C ATOM 1073 C THR A 81 9.883 11.058 -4.871 1.00 0.00 C ATOM 1074 O THR A 81 9.803 10.359 -3.860 1.00 0.00 O ATOM 1075 CB THR A 81 9.888 13.412 -3.982 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.161 14.653 -3.947 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.326 13.671 -4.414 1.00 0.00 C ATOM 0 H THR A 81 7.491 12.728 -3.744 1.00 0.00 H new ATOM 0 HA THR A 81 9.271 12.807 -5.956 1.00 0.00 H new ATOM 0 HB THR A 81 9.903 12.969 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.614 14.689 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.793 14.372 -3.722 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.881 12.733 -4.411 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.334 14.094 -5.419 1.00 0.00 H new ATOM 1085 N ARG A 82 10.547 10.675 -5.955 1.00 0.00 N ATOM 1086 CA ARG A 82 11.245 9.395 -6.003 1.00 0.00 C ATOM 1087 C ARG A 82 12.464 9.412 -5.088 1.00 0.00 C ATOM 1088 O ARG A 82 13.281 10.330 -5.143 1.00 0.00 O ATOM 1089 CB ARG A 82 11.676 9.059 -7.435 1.00 0.00 C ATOM 1090 CG ARG A 82 12.503 10.145 -8.110 1.00 0.00 C ATOM 1091 CD ARG A 82 13.558 9.560 -9.032 1.00 0.00 C ATOM 1092 NE ARG A 82 14.765 9.163 -8.300 1.00 0.00 N ATOM 1093 CZ ARG A 82 15.390 7.996 -8.467 1.00 0.00 C ATOM 1094 NH1 ARG A 82 14.912 7.089 -9.312 1.00 0.00 N ATOM 1095 NH2 ARG A 82 16.491 7.729 -7.777 1.00 0.00 N ATOM 0 H ARG A 82 10.617 11.229 -6.809 1.00 0.00 H new ATOM 0 HA ARG A 82 10.553 8.627 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.253 8.135 -7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.786 8.870 -8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.845 10.801 -8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.985 10.760 -7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.147 8.694 -9.551 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.821 10.293 -9.795 1.00 0.00 H new ATOM 0 HE ARG A 82 15.151 9.819 -7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.061 7.282 -9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.396 6.200 -9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.860 8.416 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.969 6.837 -7.904 1.00 0.00 H new ATOM 1109 N TRP A 83 12.571 8.411 -4.230 1.00 0.00 N ATOM 1110 CA TRP A 83 13.705 8.315 -3.323 1.00 0.00 C ATOM 1111 C TRP A 83 14.812 7.489 -3.961 1.00 0.00 C ATOM 1112 O TRP A 83 15.982 7.876 -3.950 1.00 0.00 O ATOM 1113 CB TRP A 83 13.278 7.700 -1.986 1.00 0.00 C ATOM 1114 CG TRP A 83 14.396 7.613 -0.986 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.204 6.534 -0.750 1.00 0.00 C ATOM 1116 CD2 TRP A 83 14.838 8.645 -0.097 1.00 0.00 C ATOM 1117 NE1 TRP A 83 16.116 6.830 0.231 1.00 0.00 N ATOM 1118 CE2 TRP A 83 15.914 8.119 0.648 1.00 0.00 C ATOM 1119 CE3 TRP A 83 14.434 9.962 0.145 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 16.585 8.864 1.613 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 15.101 10.696 1.104 1.00 0.00 C ATOM 1122 CH2 TRP A 83 16.167 10.145 1.827 1.00 0.00 C ATOM 0 H TRP A 83 11.891 7.656 -4.142 1.00 0.00 H new ATOM 0 HA TRP A 83 14.083 9.319 -3.129 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.468 8.294 -1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.881 6.701 -2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.134 5.586 -1.262 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.828 6.194 0.591 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.615 10.396 -0.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.407 8.443 2.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.796 11.713 1.301 1.00 0.00 H new ATOM 0 HH2 TRP A 83 16.669 10.747 2.570 1.00 0.00 H new ATOM 1133 N GLY A 84 14.428 6.356 -4.524 1.00 0.00 N ATOM 1134 CA GLY A 84 15.380 5.478 -5.167 1.00 0.00 C ATOM 1135 C GLY A 84 14.838 4.075 -5.294 1.00 0.00 C ATOM 1136 O GLY A 84 13.750 3.783 -4.794 1.00 0.00 O ATOM 0 H GLY A 84 13.463 6.026 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.625 5.866 -6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.307 5.461 -4.593 1.00 0.00 H new ATOM 1140 N THR A 85 15.579 3.209 -5.955 1.00 0.00 N ATOM 1141 CA THR A 85 15.155 1.833 -6.136 1.00 0.00 C ATOM 1142 C THR A 85 15.363 1.032 -4.855 1.00 0.00 C ATOM 1143 O THR A 85 16.377 1.185 -4.172 1.00 0.00 O ATOM 1144 CB THR A 85 15.922 1.180 -7.301 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.668 2.183 -8.011 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.962 0.485 -8.260 1.00 0.00 C ATOM 0 H THR A 85 16.480 3.433 -6.377 1.00 0.00 H new ATOM 0 HA THR A 85 14.092 1.834 -6.375 1.00 0.00 H new ATOM 0 HB THR A 85 16.603 0.435 -6.891 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.156 1.765 -8.751 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.526 0.031 -9.075 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.410 -0.289 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.262 1.215 -8.666 1.00 0.00 H new ATOM 1154 N VAL A 86 14.393 0.200 -4.519 1.00 0.00 N ATOM 1155 CA VAL A 86 14.474 -0.624 -3.324 1.00 0.00 C ATOM 1156 C VAL A 86 14.438 -2.095 -3.699 1.00 0.00 C ATOM 1157 O VAL A 86 14.143 -2.444 -4.845 1.00 0.00 O ATOM 1158 CB VAL A 86 13.330 -0.327 -2.325 1.00 0.00 C ATOM 1159 CG1 VAL A 86 13.615 0.946 -1.544 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.988 -0.229 -3.042 1.00 0.00 C ATOM 0 H VAL A 86 13.536 0.076 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 86 15.418 -0.382 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 86 13.276 -1.157 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.798 1.136 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.546 0.832 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.705 1.784 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.202 -0.020 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.026 0.575 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.775 -1.172 -3.546 1.00 0.00 H new ATOM 1170 N ASP A 87 14.737 -2.952 -2.741 1.00 0.00 N ATOM 1171 CA ASP A 87 14.741 -4.382 -2.987 1.00 0.00 C ATOM 1172 C ASP A 87 14.118 -5.138 -1.826 1.00 0.00 C ATOM 1173 O ASP A 87 14.468 -4.916 -0.669 1.00 0.00 O ATOM 1174 CB ASP A 87 16.166 -4.877 -3.214 1.00 0.00 C ATOM 1175 CG ASP A 87 16.221 -6.372 -3.428 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.806 -6.835 -4.510 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.669 -7.098 -2.514 1.00 0.00 O ATOM 0 H ASP A 87 14.980 -2.684 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 87 14.147 -4.568 -3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.591 -4.371 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.783 -4.611 -2.356 1.00 0.00 H new ATOM 1182 N CYS A 88 13.192 -6.027 -2.141 1.00 0.00 N ATOM 1183 CA CYS A 88 12.527 -6.829 -1.130 1.00 0.00 C ATOM 1184 C CYS A 88 13.064 -8.255 -1.154 1.00 0.00 C ATOM 1185 O CYS A 88 12.469 -9.167 -0.578 1.00 0.00 O ATOM 1186 CB CYS A 88 11.014 -6.838 -1.358 1.00 0.00 C ATOM 1187 SG CYS A 88 10.203 -5.226 -1.125 1.00 0.00 S ATOM 0 H CYS A 88 12.882 -6.212 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 88 12.729 -6.388 -0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.815 -7.187 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.562 -7.559 -0.677 1.00 0.00 H new ATOM 1192 N THR A 89 14.191 -8.447 -1.827 1.00 0.00 N ATOM 1193 CA THR A 89 14.802 -9.760 -1.910 1.00 0.00 C ATOM 1194 C THR A 89 15.704 -9.988 -0.703 1.00 0.00 C ATOM 1195 O THR A 89 15.529 -10.947 0.046 1.00 0.00 O ATOM 1196 CB THR A 89 15.631 -9.928 -3.197 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.970 -9.295 -4.301 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.851 -11.400 -3.508 1.00 0.00 C ATOM 0 H THR A 89 14.696 -7.711 -2.320 1.00 0.00 H new ATOM 0 HA THR A 89 13.997 -10.494 -1.925 1.00 0.00 H new ATOM 0 HB THR A 89 16.600 -9.454 -3.040 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.501 -8.530 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.439 -11.495 -4.421 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.385 -11.871 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.887 -11.891 -3.644 1.00 0.00 H new ATOM 1206 N THR A 90 16.659 -9.093 -0.510 1.00 0.00 N ATOM 1207 CA THR A 90 17.578 -9.205 0.609 1.00 0.00 C ATOM 1208 C THR A 90 17.053 -8.419 1.813 1.00 0.00 C ATOM 1209 O THR A 90 17.564 -8.541 2.929 1.00 0.00 O ATOM 1210 CB THR A 90 18.998 -8.719 0.221 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.952 -9.143 1.205 1.00 0.00 O ATOM 1212 CG2 THR A 90 19.050 -7.207 0.077 1.00 0.00 C ATOM 0 H THR A 90 16.817 -8.284 -1.111 1.00 0.00 H new ATOM 0 HA THR A 90 17.648 -10.258 0.882 1.00 0.00 H new ATOM 0 HB THR A 90 19.247 -9.161 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.583 -8.998 2.101 1.00 0.00 H new ATOM 0 HG21 THR A 90 20.060 -6.902 -0.195 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.354 -6.891 -0.700 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.773 -6.742 1.023 1.00 0.00 H new ATOM 1220 N ALA A 91 16.012 -7.632 1.587 1.00 0.00 N ATOM 1221 CA ALA A 91 15.415 -6.831 2.644 1.00 0.00 C ATOM 1222 C ALA A 91 13.961 -7.233 2.868 1.00 0.00 C ATOM 1223 O ALA A 91 13.487 -8.212 2.292 1.00 0.00 O ATOM 1224 CB ALA A 91 15.521 -5.354 2.304 1.00 0.00 C ATOM 0 H ALA A 91 15.562 -7.531 0.677 1.00 0.00 H new ATOM 0 HA ALA A 91 15.960 -7.013 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.071 -4.764 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 91 16.570 -5.080 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.998 -5.158 1.368 1.00 0.00 H new ATOM 1230 N ALA A 92 13.260 -6.486 3.707 1.00 0.00 N ATOM 1231 CA ALA A 92 11.866 -6.772 4.002 1.00 0.00 C ATOM 1232 C ALA A 92 10.945 -6.077 3.008 1.00 0.00 C ATOM 1233 O ALA A 92 11.387 -5.256 2.200 1.00 0.00 O ATOM 1234 CB ALA A 92 11.528 -6.346 5.423 1.00 0.00 C ATOM 0 H ALA A 92 13.636 -5.674 4.197 1.00 0.00 H new ATOM 0 HA ALA A 92 11.714 -7.848 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.481 -6.566 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.159 -6.890 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.702 -5.276 5.533 1.00 0.00 H new ATOM 1240 N CYS A 93 9.668 -6.415 3.072 1.00 0.00 N ATOM 1241 CA CYS A 93 8.668 -5.834 2.190 1.00 0.00 C ATOM 1242 C CYS A 93 7.339 -5.738 2.921 1.00 0.00 C ATOM 1243 O CYS A 93 7.053 -6.545 3.801 1.00 0.00 O ATOM 1244 CB CYS A 93 8.510 -6.686 0.928 1.00 0.00 C ATOM 1245 SG CYS A 93 8.301 -5.718 -0.604 1.00 0.00 S ATOM 0 H CYS A 93 9.296 -7.097 3.733 1.00 0.00 H new ATOM 0 HA CYS A 93 8.992 -4.836 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 93 9.386 -7.327 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.648 -7.342 1.051 1.00 0.00 H new ATOM 1250 N GLN A 94 6.532 -4.755 2.569 1.00 0.00 N ATOM 1251 CA GLN A 94 5.245 -4.576 3.216 1.00 0.00 C ATOM 1252 C GLN A 94 4.281 -3.840 2.298 1.00 0.00 C ATOM 1253 O GLN A 94 4.643 -3.453 1.186 1.00 0.00 O ATOM 1254 CB GLN A 94 5.406 -3.837 4.553 1.00 0.00 C ATOM 1255 CG GLN A 94 6.292 -2.606 4.497 1.00 0.00 C ATOM 1256 CD GLN A 94 7.704 -2.883 4.972 1.00 0.00 C ATOM 1257 OE1 GLN A 94 8.603 -3.165 4.179 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.911 -2.810 6.275 1.00 0.00 N ATOM 0 H GLN A 94 6.743 -4.071 1.842 1.00 0.00 H new ATOM 0 HA GLN A 94 4.827 -5.561 3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.419 -3.541 4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.816 -4.530 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.324 -2.232 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.854 -1.819 5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.141 -2.573 6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.840 -2.990 6.655 1.00 0.00 H new ATOM 1267 N VAL A 95 3.054 -3.666 2.763 1.00 0.00 N ATOM 1268 CA VAL A 95 2.024 -2.988 1.993 1.00 0.00 C ATOM 1269 C VAL A 95 1.201 -2.081 2.905 1.00 0.00 C ATOM 1270 O VAL A 95 0.906 -2.436 4.051 1.00 0.00 O ATOM 1271 CB VAL A 95 1.105 -4.009 1.277 1.00 0.00 C ATOM 1272 CG1 VAL A 95 0.455 -4.959 2.273 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.048 -3.303 0.442 1.00 0.00 C ATOM 0 H VAL A 95 2.745 -3.989 3.680 1.00 0.00 H new ATOM 0 HA VAL A 95 2.510 -2.379 1.231 1.00 0.00 H new ATOM 0 HB VAL A 95 1.730 -4.599 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.184 -5.663 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.228 -5.506 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.146 -4.388 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.583 -4.044 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.566 -2.675 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.534 -2.683 -0.312 1.00 0.00 H new ATOM 1283 N GLY A 96 0.863 -0.896 2.418 1.00 0.00 N ATOM 1284 CA GLY A 96 0.084 0.018 3.218 1.00 0.00 C ATOM 1285 C GLY A 96 -0.890 0.828 2.391 1.00 0.00 C ATOM 1286 O GLY A 96 -0.751 0.924 1.170 1.00 0.00 O ATOM 0 H GLY A 96 1.113 -0.555 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.465 -0.543 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.755 0.694 3.748 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.877 1.403 3.055 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.876 2.219 2.387 1.00 0.00 C ATOM 1292 C LEU A 97 -3.308 3.367 3.288 1.00 0.00 C ATOM 1293 O LEU A 97 -3.357 3.224 4.513 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.094 1.380 1.993 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.933 0.847 3.160 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -6.402 0.794 2.776 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.445 -0.534 3.583 1.00 0.00 C ATOM 0 H LEU A 97 -2.009 1.319 4.063 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.428 2.625 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.737 1.983 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.753 0.534 1.397 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.819 1.527 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.984 0.413 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.747 1.795 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.530 0.135 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.052 -0.896 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.530 -1.223 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.403 -0.471 3.897 1.00 0.00 H new ATOM 1309 N SER A 98 -3.594 4.504 2.684 1.00 0.00 N ATOM 1310 CA SER A 98 -4.027 5.678 3.421 1.00 0.00 C ATOM 1311 C SER A 98 -4.932 6.536 2.545 1.00 0.00 C ATOM 1312 O SER A 98 -4.825 6.503 1.323 1.00 0.00 O ATOM 1313 CB SER A 98 -2.817 6.485 3.891 1.00 0.00 C ATOM 1314 OG SER A 98 -1.986 5.711 4.745 1.00 0.00 O ATOM 0 H SER A 98 -3.534 4.641 1.675 1.00 0.00 H new ATOM 0 HA SER A 98 -4.589 5.358 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.243 6.822 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.154 7.378 4.418 1.00 0.00 H new ATOM 0 HG SER A 98 -1.219 6.249 5.030 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.834 7.283 3.166 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.755 8.142 2.420 1.00 0.00 C ATOM 1322 C ASP A 99 -6.025 9.364 1.865 1.00 0.00 C ATOM 1323 O ASP A 99 -4.807 9.479 1.992 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.923 8.587 3.310 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.555 9.749 4.211 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.719 9.562 5.114 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -8.099 10.855 4.017 1.00 0.00 O ATOM 0 H ASP A 99 -5.951 7.315 4.179 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.152 7.564 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.767 8.872 2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.250 7.746 3.922 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.782 10.274 1.261 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.227 11.490 0.675 1.00 0.00 C ATOM 1334 C ALA A 100 -5.402 12.288 1.686 1.00 0.00 C ATOM 1335 O ALA A 100 -4.403 12.919 1.325 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.348 12.350 0.118 1.00 0.00 C ATOM 0 H ALA A 100 -7.794 10.191 1.164 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.556 11.195 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.929 13.257 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.887 11.794 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.034 12.618 0.921 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.821 12.257 2.948 1.00 0.00 N ATOM 1343 CA ALA A 101 -5.115 12.971 4.006 1.00 0.00 C ATOM 1344 C ALA A 101 -3.886 12.187 4.457 1.00 0.00 C ATOM 1345 O ALA A 101 -2.824 12.762 4.693 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.034 13.234 5.186 1.00 0.00 C ATOM 0 H ALA A 101 -6.645 11.745 3.262 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.787 13.930 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.486 13.767 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.881 13.838 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.396 12.286 5.584 1.00 0.00 H new ATOM 1352 N GLY A 102 -4.039 10.876 4.569 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.933 10.032 4.986 1.00 0.00 C ATOM 1354 C GLY A 102 -3.239 9.237 6.241 1.00 0.00 C ATOM 1355 O GLY A 102 -2.336 8.931 7.022 1.00 0.00 O ATOM 0 H GLY A 102 -4.909 10.379 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.682 9.344 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.054 10.653 5.160 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.509 8.913 6.438 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.935 8.146 7.601 1.00 0.00 C ATOM 1361 C ASN A 103 -5.598 6.852 7.155 1.00 0.00 C ATOM 1362 O ASN A 103 -5.652 6.550 5.958 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.921 8.949 8.460 1.00 0.00 C ATOM 1364 CG ASN A 103 -5.451 10.357 8.762 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.659 10.577 9.678 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.957 11.323 8.010 1.00 0.00 N ATOM 0 H ASN A 103 -5.266 9.171 5.805 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.051 7.922 8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.882 8.997 7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.087 8.421 9.399 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.693 12.293 8.180 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.611 11.096 7.261 1.00 0.00 H new ATOM 1373 N GLY A 104 -6.105 6.097 8.114 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.767 4.852 7.800 1.00 0.00 C ATOM 1375 C GLY A 104 -6.249 3.702 8.638 1.00 0.00 C ATOM 1376 O GLY A 104 -5.818 3.911 9.774 1.00 0.00 O ATOM 0 H GLY A 104 -6.070 6.325 9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.839 4.962 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.625 4.623 6.744 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.290 2.468 8.115 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.804 1.293 8.836 1.00 0.00 C ATOM 1382 C PRO A 105 -4.285 1.303 8.981 1.00 0.00 C ATOM 1383 O PRO A 105 -3.587 2.051 8.291 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.260 0.118 7.969 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.427 0.689 6.602 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.824 2.127 6.787 1.00 0.00 C ATOM 0 HA PRO A 105 -6.189 1.248 9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.523 -0.685 7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.195 -0.305 8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.500 0.612 6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.189 0.145 6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.400 2.763 6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.906 2.252 6.746 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.779 0.473 9.874 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.349 0.394 10.117 1.00 0.00 C ATOM 1396 C GLU A 106 -1.660 -0.422 9.023 1.00 0.00 C ATOM 1397 O GLU A 106 -2.258 -1.342 8.462 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.104 -0.237 11.483 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.810 0.190 12.141 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.725 -0.295 13.567 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.300 0.365 14.456 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.092 -1.341 13.809 1.00 0.00 O ATOM 0 H GLU A 106 -4.339 -0.159 10.446 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.929 1.400 10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.934 0.017 12.142 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.103 -1.322 11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.034 -0.201 11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.732 1.277 12.121 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.406 -0.078 8.731 1.00 0.00 N ATOM 1410 CA GLY A 107 0.353 -0.783 7.708 1.00 0.00 C ATOM 1411 C GLY A 107 0.567 -2.249 8.043 1.00 0.00 C ATOM 1412 O GLY A 107 0.663 -2.618 9.218 1.00 0.00 O ATOM 0 H GLY A 107 0.100 0.681 9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.170 -0.705 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.321 -0.298 7.581 1.00 0.00 H new ATOM 1416 N VAL A 108 0.661 -3.084 7.013 1.00 0.00 N ATOM 1417 CA VAL A 108 0.843 -4.518 7.199 1.00 0.00 C ATOM 1418 C VAL A 108 2.161 -4.983 6.591 1.00 0.00 C ATOM 1419 O VAL A 108 2.429 -4.742 5.410 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.314 -5.316 6.556 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.206 -6.798 6.891 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.661 -4.763 6.999 1.00 0.00 C ATOM 0 H VAL A 108 0.614 -2.790 6.037 1.00 0.00 H new ATOM 0 HA VAL A 108 0.853 -4.703 8.273 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.238 -5.207 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.032 -7.337 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.739 -7.188 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.248 -6.931 7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.461 -5.339 6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.745 -4.834 8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.743 -3.719 6.696 1.00 0.00 H new ATOM 1432 N ALA A 109 2.978 -5.648 7.398 1.00 0.00 N ATOM 1433 CA ALA A 109 4.261 -6.151 6.933 1.00 0.00 C ATOM 1434 C ALA A 109 4.125 -7.588 6.442 1.00 0.00 C ATOM 1435 O ALA A 109 3.388 -8.386 7.027 1.00 0.00 O ATOM 1436 CB ALA A 109 5.307 -6.053 8.036 1.00 0.00 C ATOM 0 H ALA A 109 2.774 -5.851 8.377 1.00 0.00 H new ATOM 0 HA ALA A 109 4.591 -5.534 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.260 -6.434 7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.424 -5.011 8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.987 -6.643 8.895 1.00 0.00 H new ATOM 1442 N ILE A 110 4.824 -7.915 5.361 1.00 0.00 N ATOM 1443 CA ILE A 110 4.764 -9.256 4.797 1.00 0.00 C ATOM 1444 C ILE A 110 6.166 -9.790 4.518 1.00 0.00 C ATOM 1445 O ILE A 110 7.165 -9.121 4.783 1.00 0.00 O ATOM 1446 CB ILE A 110 3.934 -9.297 3.489 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.540 -8.365 2.433 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.482 -8.925 3.761 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.138 -8.711 1.016 1.00 0.00 C ATOM 0 H ILE A 110 5.437 -7.272 4.860 1.00 0.00 H new ATOM 0 HA ILE A 110 4.272 -9.887 5.538 1.00 0.00 H new ATOM 0 HB ILE A 110 3.960 -10.316 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.236 -7.340 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.627 -8.399 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.917 -8.960 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.053 -9.630 4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.436 -7.918 4.176 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.604 -8.010 0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.466 -9.724 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.054 -8.649 0.920 1.00 0.00 H new ATOM 1461 N SER A 111 6.236 -11.006 4.002 1.00 0.00 N ATOM 1462 CA SER A 111 7.505 -11.635 3.674 1.00 0.00 C ATOM 1463 C SER A 111 7.293 -12.670 2.580 1.00 0.00 C ATOM 1464 O SER A 111 6.191 -13.199 2.432 1.00 0.00 O ATOM 1465 CB SER A 111 8.111 -12.307 4.912 1.00 0.00 C ATOM 1466 OG SER A 111 8.144 -11.420 6.023 1.00 0.00 O ATOM 0 H SER A 111 5.419 -11.583 3.799 1.00 0.00 H new ATOM 0 HA SER A 111 8.195 -10.868 3.323 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.529 -13.192 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.122 -12.646 4.685 1.00 0.00 H new ATOM 0 HG SER A 111 8.534 -11.879 6.796 1.00 0.00 H new ATOM 1472 N PHE A 112 8.331 -12.943 1.813 1.00 0.00 N ATOM 1473 CA PHE A 112 8.251 -13.927 0.748 1.00 0.00 C ATOM 1474 C PHE A 112 8.689 -15.289 1.274 1.00 0.00 C ATOM 1475 O PHE A 112 9.197 -15.396 2.393 1.00 0.00 O ATOM 1476 CB PHE A 112 9.128 -13.517 -0.441 1.00 0.00 C ATOM 1477 CG PHE A 112 8.733 -12.213 -1.071 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.483 -12.052 -1.644 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.620 -11.151 -1.096 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.123 -10.851 -2.225 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.267 -9.950 -1.676 1.00 0.00 C ATOM 1482 CZ PHE A 112 8.016 -9.800 -2.243 1.00 0.00 C ATOM 0 H PHE A 112 9.243 -12.496 1.907 1.00 0.00 H new ATOM 0 HA PHE A 112 7.218 -13.985 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.164 -13.449 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.087 -14.301 -1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.782 -12.874 -1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.600 -11.264 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.143 -10.735 -2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.968 -9.128 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.738 -8.862 -2.699 1.00 0.00 H new ATOM 1492 N ASN A 113 8.490 -16.326 0.478 1.00 0.00 N ATOM 1493 CA ASN A 113 8.872 -17.669 0.889 1.00 0.00 C ATOM 1494 C ASN A 113 10.286 -17.976 0.417 1.00 0.00 C ATOM 1495 O ASN A 113 11.009 -18.708 1.122 1.00 0.00 O ATOM 1496 CB ASN A 113 7.881 -18.717 0.363 1.00 0.00 C ATOM 1497 CG ASN A 113 8.251 -19.265 -1.004 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.026 -20.216 -1.117 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.688 -18.684 -2.052 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.676 -17.456 -0.651 1.00 0.00 O ATOM 0 H ASN A 113 8.070 -16.267 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 113 8.847 -17.714 1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.825 -19.542 1.074 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.887 -18.272 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.891 -19.022 -2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.051 -17.899 -1.919 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.364 6.200 3.975 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.427 7.059 3.734 1.00 20.00 C HETATM 1510 C4A FLN A 114 6.044 7.138 2.474 1.00 20.00 C HETATM 1511 C4 FLN A 114 5.540 6.268 1.372 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.421 5.387 1.700 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.885 5.382 2.947 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.751 4.586 3.529 1.00 20.00 C HETATM 1515 C2' FLN A 114 1.457 4.740 3.028 1.00 20.00 C HETATM 1516 C3' FLN A 114 0.413 3.998 3.576 1.00 20.00 C HETATM 1517 C4' FLN A 114 0.597 3.082 4.621 1.00 20.00 C HETATM 1518 C5' FLN A 114 1.910 2.959 5.089 1.00 20.00 C HETATM 1519 C6' FLN A 114 2.972 3.686 4.565 1.00 20.00 C HETATM 1520 O4 FLN A 114 6.047 6.299 0.248 1.00 20.00 O HETATM 1521 C5 FLN A 114 7.125 8.040 2.291 1.00 20.00 C HETATM 1522 C6 FLN A 114 7.556 8.836 3.365 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.911 8.729 4.616 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.849 7.844 4.804 1.00 20.00 C HETATM 0 H8 FLN A 114 5.357 7.768 5.774 1.00 20.00 H new HETATM 0 H7 FLN A 114 7.248 9.347 5.448 1.00 20.00 H new HETATM 0 H6' FLN A 114 3.977 3.551 4.966 1.00 20.00 H new HETATM 0 H6 FLN A 114 8.384 9.533 3.233 1.00 20.00 H new HETATM 0 H5' FLN A 114 2.109 2.261 5.902 1.00 20.00 H new HETATM 0 H5 FLN A 114 7.618 8.114 1.322 1.00 20.00 H new HETATM 0 H4' FLN A 114 -0.227 2.505 5.041 1.00 20.00 H new HETATM 0 H3' FLN A 114 -0.591 4.136 3.175 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.012 4.727 0.935 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.265 5.437 2.212 1.00 20.00 H new