USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 77:sc= 1.31 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.811 K(o=2.1,f=0.36!) USER MOD Set 2.1: A 29 GLN : amide:sc= 0 X(o=-0.19,f=-0.54) USER MOD Set 2.2: A 30 SER OG : rot 180:sc= -0.19 USER MOD Single : A 3 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc=0.000666 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.145 USER MOD Single : A 13 SER OG : rot 49:sc= 1.07 USER MOD Single : A 14 CYS SG : rot 48:sc= 0.0717 USER MOD Single : A 17 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.15) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 150:sc= -0.49 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -1.847 0.648 -1.607 1.00 0.00 N ATOM 35 CA HIS A 3 -2.766 1.689 -1.179 1.00 0.00 C ATOM 36 C HIS A 3 -2.607 2.931 -2.039 1.00 0.00 C ATOM 37 O HIS A 3 -1.488 3.348 -2.349 1.00 0.00 O ATOM 38 CB HIS A 3 -2.517 2.069 0.285 1.00 0.00 C ATOM 39 CG HIS A 3 -2.967 1.054 1.288 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.937 1.284 2.645 1.00 0.00 N ATOM 41 CD2 HIS A 3 -3.439 -0.203 1.134 1.00 0.00 C ATOM 42 CE1 HIS A 3 -3.370 0.211 3.278 1.00 0.00 C ATOM 43 NE2 HIS A 3 -3.683 -0.709 2.386 1.00 0.00 N ATOM 0 HA HIS A 3 -3.777 1.297 -1.285 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.450 2.245 0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.025 3.011 0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.596 -0.716 0.196 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.454 0.103 4.349 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.045 -1.640 2.592 1.00 0.00 H new ATOM 52 N LEU A 4 -3.728 3.503 -2.438 1.00 0.00 N ATOM 53 CA LEU A 4 -3.737 4.794 -3.108 1.00 0.00 C ATOM 54 C LEU A 4 -4.851 5.646 -2.523 1.00 0.00 C ATOM 55 O LEU A 4 -5.634 5.171 -1.700 1.00 0.00 O ATOM 56 CB LEU A 4 -3.914 4.656 -4.628 1.00 0.00 C ATOM 57 CG LEU A 4 -4.243 3.254 -5.141 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.319 3.323 -6.214 1.00 0.00 C ATOM 59 CD2 LEU A 4 -2.992 2.577 -5.682 1.00 0.00 C ATOM 0 H LEU A 4 -4.652 3.091 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.771 5.272 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.708 5.332 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.997 4.992 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.621 2.660 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.543 2.317 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.221 3.769 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.965 3.932 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.245 1.580 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.585 3.167 -6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.249 2.498 -4.888 1.00 0.00 H new ATOM 71 N LYS A 5 -4.921 6.895 -2.936 1.00 0.00 N ATOM 72 CA LYS A 5 -5.922 7.807 -2.417 1.00 0.00 C ATOM 73 C LYS A 5 -6.826 8.308 -3.531 1.00 0.00 C ATOM 74 O LYS A 5 -6.359 8.663 -4.614 1.00 0.00 O ATOM 75 CB LYS A 5 -5.249 8.989 -1.720 1.00 0.00 C ATOM 76 CG LYS A 5 -5.243 8.877 -0.207 1.00 0.00 C ATOM 77 CD LYS A 5 -5.508 10.221 0.449 1.00 0.00 C ATOM 78 CE LYS A 5 -4.273 11.109 0.411 1.00 0.00 C ATOM 79 NZ LYS A 5 -4.276 12.103 1.514 1.00 0.00 N ATOM 0 H LYS A 5 -4.296 7.303 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.532 7.267 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.221 9.072 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.760 9.908 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.001 8.160 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.280 8.491 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.333 10.720 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.817 10.069 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.378 10.491 0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.228 11.628 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.419 12.690 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.117 12.709 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.294 11.607 2.428 1.00 0.00 H new ATOM 93 N ILE A 6 -8.120 8.328 -3.263 1.00 0.00 N ATOM 94 CA ILE A 6 -9.089 8.834 -4.218 1.00 0.00 C ATOM 95 C ILE A 6 -9.439 10.282 -3.866 1.00 0.00 C ATOM 96 O ILE A 6 -9.625 10.619 -2.696 1.00 0.00 O ATOM 97 CB ILE A 6 -10.353 7.924 -4.272 1.00 0.00 C ATOM 98 CG1 ILE A 6 -10.803 7.717 -5.726 1.00 0.00 C ATOM 99 CG2 ILE A 6 -11.496 8.463 -3.420 1.00 0.00 C ATOM 100 CD1 ILE A 6 -11.635 8.851 -6.293 1.00 0.00 C ATOM 0 H ILE A 6 -8.525 7.998 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.653 8.818 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.074 6.959 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.920 7.583 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -11.380 6.794 -5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.352 7.792 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.175 8.530 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.780 9.453 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.909 8.622 -7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.539 8.973 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.056 9.774 -6.269 1.00 0.00 H new ATOM 112 N THR A 7 -9.473 11.148 -4.870 1.00 0.00 N ATOM 113 CA THR A 7 -9.691 12.567 -4.628 1.00 0.00 C ATOM 114 C THR A 7 -10.788 13.145 -5.517 1.00 0.00 C ATOM 115 O THR A 7 -11.288 14.240 -5.263 1.00 0.00 O ATOM 116 CB THR A 7 -8.390 13.356 -4.854 1.00 0.00 C ATOM 117 OG1 THR A 7 -7.387 12.485 -5.399 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.891 13.965 -3.552 1.00 0.00 C ATOM 0 H THR A 7 -9.354 10.896 -5.851 1.00 0.00 H new ATOM 0 HA THR A 7 -10.011 12.663 -3.591 1.00 0.00 H new ATOM 0 HB THR A 7 -8.593 14.165 -5.555 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.559 12.989 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.970 14.518 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.647 14.642 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.698 13.172 -2.830 1.00 0.00 H new ATOM 126 N GLY A 8 -11.166 12.409 -6.556 1.00 0.00 N ATOM 127 CA GLY A 8 -12.191 12.890 -7.467 1.00 0.00 C ATOM 128 C GLY A 8 -13.573 12.854 -6.853 1.00 0.00 C ATOM 129 O GLY A 8 -14.444 13.641 -7.218 1.00 0.00 O ATOM 0 H GLY A 8 -10.784 11.491 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.956 13.911 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.183 12.282 -8.372 1.00 0.00 H new ATOM 133 N MET A 9 -13.760 11.938 -5.912 1.00 0.00 N ATOM 134 CA MET A 9 -15.042 11.757 -5.238 1.00 0.00 C ATOM 135 C MET A 9 -14.896 10.662 -4.195 1.00 0.00 C ATOM 136 O MET A 9 -14.413 9.576 -4.504 1.00 0.00 O ATOM 137 CB MET A 9 -16.144 11.395 -6.235 1.00 0.00 C ATOM 138 CG MET A 9 -17.279 12.407 -6.276 1.00 0.00 C ATOM 139 SD MET A 9 -17.573 13.184 -4.675 1.00 0.00 S ATOM 140 CE MET A 9 -17.371 14.913 -5.099 1.00 0.00 C ATOM 0 H MET A 9 -13.030 11.300 -5.594 1.00 0.00 H new ATOM 0 HA MET A 9 -15.327 12.693 -4.758 1.00 0.00 H new ATOM 0 HB2 MET A 9 -15.709 11.308 -7.230 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.549 10.416 -5.978 1.00 0.00 H new ATOM 0 HG2 MET A 9 -17.048 13.177 -7.012 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.191 11.911 -6.608 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.523 15.526 -4.210 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.365 15.078 -5.486 1.00 0.00 H new ATOM 0 HE3 MET A 9 -18.102 15.189 -5.859 1.00 0.00 H new ATOM 150 N THR A 10 -15.304 10.943 -2.970 1.00 0.00 N ATOM 151 CA THR A 10 -14.994 10.063 -1.856 1.00 0.00 C ATOM 152 C THR A 10 -16.237 9.427 -1.232 1.00 0.00 C ATOM 153 O THR A 10 -16.383 8.213 -1.247 1.00 0.00 O ATOM 154 CB THR A 10 -14.244 10.853 -0.772 1.00 0.00 C ATOM 155 OG1 THR A 10 -14.362 12.260 -1.039 1.00 0.00 O ATOM 156 CG2 THR A 10 -12.775 10.466 -0.726 1.00 0.00 C ATOM 0 H THR A 10 -15.848 11.769 -2.722 1.00 0.00 H new ATOM 0 HA THR A 10 -14.378 9.257 -2.253 1.00 0.00 H new ATOM 0 HB THR A 10 -14.689 10.617 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.886 12.765 -0.348 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.271 11.042 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.686 9.402 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.313 10.676 -1.691 1.00 0.00 H new ATOM 164 N CYS A 11 -17.135 10.284 -0.753 1.00 0.00 N ATOM 165 CA CYS A 11 -18.229 9.929 0.169 1.00 0.00 C ATOM 166 C CYS A 11 -18.838 8.541 -0.016 1.00 0.00 C ATOM 167 O CYS A 11 -18.926 7.787 0.951 1.00 0.00 O ATOM 168 CB CYS A 11 -19.323 10.984 0.051 1.00 0.00 C ATOM 169 SG CYS A 11 -19.378 11.795 -1.570 1.00 0.00 S ATOM 0 H CYS A 11 -17.128 11.274 -0.998 1.00 0.00 H new ATOM 0 HA CYS A 11 -17.778 9.900 1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -20.288 10.518 0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -19.171 11.740 0.821 1.00 0.00 H new ATOM 0 HG CYS A 11 -20.336 12.674 -1.583 1.00 0.00 H new ATOM 174 N ASP A 12 -19.299 8.230 -1.218 1.00 0.00 N ATOM 175 CA ASP A 12 -19.874 6.919 -1.513 1.00 0.00 C ATOM 176 C ASP A 12 -20.392 6.908 -2.944 1.00 0.00 C ATOM 177 O ASP A 12 -20.410 7.955 -3.589 1.00 0.00 O ATOM 178 CB ASP A 12 -21.005 6.559 -0.529 1.00 0.00 C ATOM 179 CG ASP A 12 -22.391 6.920 -1.026 1.00 0.00 C ATOM 180 OD1 ASP A 12 -22.805 8.086 -0.853 1.00 0.00 O ATOM 181 OD2 ASP A 12 -23.067 6.049 -1.609 1.00 0.00 O ATOM 0 H ASP A 12 -19.287 8.870 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.094 6.167 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.970 5.489 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.825 7.068 0.418 1.00 0.00 H new ATOM 186 N SER A 13 -20.804 5.734 -3.428 1.00 0.00 N ATOM 187 CA SER A 13 -21.323 5.569 -4.792 1.00 0.00 C ATOM 188 C SER A 13 -20.212 5.718 -5.834 1.00 0.00 C ATOM 189 O SER A 13 -19.853 4.752 -6.514 1.00 0.00 O ATOM 190 CB SER A 13 -22.455 6.564 -5.073 1.00 0.00 C ATOM 191 OG SER A 13 -23.522 6.399 -4.152 1.00 0.00 O ATOM 0 H SER A 13 -20.788 4.869 -2.887 1.00 0.00 H new ATOM 0 HA SER A 13 -21.724 4.558 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 13 -22.072 7.582 -5.011 1.00 0.00 H new ATOM 0 HB3 SER A 13 -22.823 6.423 -6.089 1.00 0.00 H new ATOM 0 HG SER A 13 -23.166 6.375 -3.239 1.00 0.00 H new ATOM 197 N CYS A 14 -19.670 6.923 -5.954 1.00 0.00 N ATOM 198 CA CYS A 14 -18.577 7.184 -6.875 1.00 0.00 C ATOM 199 C CYS A 14 -17.391 6.281 -6.548 1.00 0.00 C ATOM 200 O CYS A 14 -16.853 5.602 -7.425 1.00 0.00 O ATOM 201 CB CYS A 14 -18.173 8.656 -6.798 1.00 0.00 C ATOM 202 SG CYS A 14 -19.232 9.653 -5.717 1.00 0.00 S ATOM 0 H CYS A 14 -19.973 7.738 -5.421 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.904 6.967 -7.892 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.144 8.722 -6.444 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.193 9.081 -7.802 1.00 0.00 H new ATOM 0 HG CYS A 14 -19.399 9.037 -4.584 1.00 0.00 H new ATOM 207 N ALA A 15 -17.016 6.252 -5.270 1.00 0.00 N ATOM 208 CA ALA A 15 -15.950 5.374 -4.794 1.00 0.00 C ATOM 209 C ALA A 15 -16.443 3.930 -4.686 1.00 0.00 C ATOM 210 O ALA A 15 -16.270 3.272 -3.666 1.00 0.00 O ATOM 211 CB ALA A 15 -15.415 5.867 -3.455 1.00 0.00 C ATOM 0 H ALA A 15 -17.438 6.830 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.136 5.397 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.621 5.203 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.019 6.876 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.222 5.876 -2.722 1.00 0.00 H new ATOM 217 N ALA A 16 -17.046 3.450 -5.761 1.00 0.00 N ATOM 218 CA ALA A 16 -17.590 2.102 -5.826 1.00 0.00 C ATOM 219 C ALA A 16 -17.797 1.728 -7.283 1.00 0.00 C ATOM 220 O ALA A 16 -17.442 0.632 -7.713 1.00 0.00 O ATOM 221 CB ALA A 16 -18.901 2.001 -5.055 1.00 0.00 C ATOM 0 H ALA A 16 -17.173 3.987 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.887 1.409 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.284 0.983 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.729 2.257 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.629 2.691 -5.482 1.00 0.00 H new ATOM 227 N HIS A 17 -18.344 2.660 -8.053 1.00 0.00 N ATOM 228 CA HIS A 17 -18.392 2.505 -9.498 1.00 0.00 C ATOM 229 C HIS A 17 -16.977 2.585 -10.056 1.00 0.00 C ATOM 230 O HIS A 17 -16.626 1.903 -11.025 1.00 0.00 O ATOM 231 CB HIS A 17 -19.275 3.575 -10.134 1.00 0.00 C ATOM 232 CG HIS A 17 -20.122 3.054 -11.253 1.00 0.00 C ATOM 233 ND1 HIS A 17 -21.196 3.744 -11.768 1.00 0.00 N ATOM 234 CD2 HIS A 17 -20.052 1.897 -11.950 1.00 0.00 C ATOM 235 CE1 HIS A 17 -21.746 3.037 -12.735 1.00 0.00 C ATOM 236 NE2 HIS A 17 -21.071 1.913 -12.866 1.00 0.00 N ATOM 0 H HIS A 17 -18.757 3.524 -7.703 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.825 1.533 -9.736 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.921 4.006 -9.369 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.644 4.381 -10.509 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.328 1.108 -11.811 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.605 3.330 -13.321 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -21.274 1.175 -13.540 1.00 0.00 H new ATOM 245 N VAL A 18 -16.164 3.416 -9.417 1.00 0.00 N ATOM 246 CA VAL A 18 -14.748 3.498 -9.731 1.00 0.00 C ATOM 247 C VAL A 18 -14.077 2.177 -9.374 1.00 0.00 C ATOM 248 O VAL A 18 -13.214 1.694 -10.098 1.00 0.00 O ATOM 249 CB VAL A 18 -14.063 4.664 -8.976 1.00 0.00 C ATOM 250 CG1 VAL A 18 -12.547 4.555 -9.042 1.00 0.00 C ATOM 251 CG2 VAL A 18 -14.519 6.001 -9.542 1.00 0.00 C ATOM 0 H VAL A 18 -16.466 4.046 -8.674 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.643 3.692 -10.798 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.358 4.601 -7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.098 5.389 -8.502 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.230 3.616 -8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.225 4.582 -10.083 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.029 6.811 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.255 6.058 -10.598 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.600 6.093 -9.432 1.00 0.00 H new ATOM 261 N LYS A 19 -14.505 1.587 -8.263 1.00 0.00 N ATOM 262 CA LYS A 19 -14.023 0.273 -7.854 1.00 0.00 C ATOM 263 C LYS A 19 -14.403 -0.770 -8.903 1.00 0.00 C ATOM 264 O LYS A 19 -13.620 -1.666 -9.207 1.00 0.00 O ATOM 265 CB LYS A 19 -14.607 -0.115 -6.491 1.00 0.00 C ATOM 266 CG LYS A 19 -14.197 -1.500 -6.019 1.00 0.00 C ATOM 267 CD LYS A 19 -15.369 -2.467 -6.029 1.00 0.00 C ATOM 268 CE LYS A 19 -15.445 -3.258 -4.737 1.00 0.00 C ATOM 269 NZ LYS A 19 -15.253 -4.714 -4.965 1.00 0.00 N ATOM 0 H LYS A 19 -15.188 2.000 -7.627 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.937 0.312 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.292 0.619 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.695 -0.067 -6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.404 -1.883 -6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.788 -1.435 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.297 -1.914 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.271 -3.152 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.685 -2.896 -4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.413 -3.089 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.413 -5.229 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.929 -5.045 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.283 -4.889 -5.297 1.00 0.00 H new ATOM 283 N GLU A 20 -15.610 -0.642 -9.448 1.00 0.00 N ATOM 284 CA GLU A 20 -16.066 -1.519 -10.521 1.00 0.00 C ATOM 285 C GLU A 20 -15.135 -1.394 -11.724 1.00 0.00 C ATOM 286 O GLU A 20 -14.615 -2.392 -12.233 1.00 0.00 O ATOM 287 CB GLU A 20 -17.504 -1.170 -10.920 1.00 0.00 C ATOM 288 CG GLU A 20 -18.199 -2.258 -11.722 1.00 0.00 C ATOM 289 CD GLU A 20 -18.486 -1.836 -13.148 1.00 0.00 C ATOM 290 OE1 GLU A 20 -19.272 -0.887 -13.350 1.00 0.00 O ATOM 291 OE2 GLU A 20 -17.919 -2.447 -14.081 1.00 0.00 O ATOM 0 H GLU A 20 -16.291 0.062 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.048 -2.550 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.083 -0.970 -10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.496 -0.250 -11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.576 -3.153 -11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.135 -2.525 -11.231 1.00 0.00 H new ATOM 298 N ALA A 21 -14.911 -0.154 -12.157 1.00 0.00 N ATOM 299 CA ALA A 21 -13.998 0.119 -13.264 1.00 0.00 C ATOM 300 C ALA A 21 -12.584 -0.374 -12.947 1.00 0.00 C ATOM 301 O ALA A 21 -11.887 -0.895 -13.816 1.00 0.00 O ATOM 302 CB ALA A 21 -13.982 1.608 -13.579 1.00 0.00 C ATOM 0 H ALA A 21 -15.349 0.676 -11.758 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.355 -0.423 -14.140 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.298 1.798 -14.406 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.985 1.932 -13.857 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.652 2.162 -12.700 1.00 0.00 H new ATOM 308 N LEU A 22 -12.177 -0.215 -11.694 1.00 0.00 N ATOM 309 CA LEU A 22 -10.874 -0.683 -11.239 1.00 0.00 C ATOM 310 C LEU A 22 -10.786 -2.202 -11.320 1.00 0.00 C ATOM 311 O LEU A 22 -9.819 -2.746 -11.845 1.00 0.00 O ATOM 312 CB LEU A 22 -10.616 -0.220 -9.805 1.00 0.00 C ATOM 313 CG LEU A 22 -10.136 1.226 -9.670 1.00 0.00 C ATOM 314 CD1 LEU A 22 -10.119 1.651 -8.212 1.00 0.00 C ATOM 315 CD2 LEU A 22 -8.755 1.391 -10.289 1.00 0.00 C ATOM 0 H LEU A 22 -12.735 0.238 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.112 -0.257 -11.892 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.535 -0.337 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.872 -0.878 -9.355 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.834 1.869 -10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.775 2.683 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.125 1.573 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.445 1.002 -7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.430 2.426 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.048 0.735 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.797 1.130 -11.346 1.00 0.00 H new ATOM 327 N GLU A 23 -11.808 -2.881 -10.812 1.00 0.00 N ATOM 328 CA GLU A 23 -11.844 -4.338 -10.831 1.00 0.00 C ATOM 329 C GLU A 23 -12.164 -4.864 -12.229 1.00 0.00 C ATOM 330 O GLU A 23 -12.137 -6.069 -12.468 1.00 0.00 O ATOM 331 CB GLU A 23 -12.855 -4.863 -9.812 1.00 0.00 C ATOM 332 CG GLU A 23 -12.199 -5.323 -8.520 1.00 0.00 C ATOM 333 CD GLU A 23 -13.191 -5.631 -7.418 1.00 0.00 C ATOM 334 OE1 GLU A 23 -14.156 -6.380 -7.670 1.00 0.00 O ATOM 335 OE2 GLU A 23 -12.999 -5.133 -6.288 1.00 0.00 O ATOM 0 H GLU A 23 -12.623 -2.445 -10.381 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.854 -4.703 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.580 -4.080 -9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.408 -5.694 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.603 -6.213 -8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.512 -4.550 -8.175 1.00 0.00 H new ATOM 342 N LYS A 24 -12.487 -3.956 -13.144 1.00 0.00 N ATOM 343 CA LYS A 24 -12.600 -4.302 -14.556 1.00 0.00 C ATOM 344 C LYS A 24 -11.201 -4.508 -15.139 1.00 0.00 C ATOM 345 O LYS A 24 -11.009 -5.288 -16.075 1.00 0.00 O ATOM 346 CB LYS A 24 -13.354 -3.192 -15.312 1.00 0.00 C ATOM 347 CG LYS A 24 -13.051 -3.120 -16.803 1.00 0.00 C ATOM 348 CD LYS A 24 -13.521 -1.805 -17.405 1.00 0.00 C ATOM 349 CE LYS A 24 -12.377 -1.049 -18.064 1.00 0.00 C ATOM 350 NZ LYS A 24 -12.864 -0.098 -19.098 1.00 0.00 N ATOM 0 H LYS A 24 -12.675 -2.976 -12.933 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.165 -5.228 -14.664 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.425 -3.344 -15.179 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.110 -2.231 -14.858 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.979 -3.232 -16.963 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.538 -3.950 -17.315 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.301 -2.000 -18.141 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.966 -1.186 -16.626 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.817 -0.504 -17.304 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.687 -1.759 -18.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.054 0.397 -19.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.377 -0.621 -19.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.502 0.596 -18.659 1.00 0.00 H new ATOM 364 N VAL A 25 -10.227 -3.822 -14.556 1.00 0.00 N ATOM 365 CA VAL A 25 -8.835 -3.954 -14.961 1.00 0.00 C ATOM 366 C VAL A 25 -8.261 -5.275 -14.448 1.00 0.00 C ATOM 367 O VAL A 25 -8.446 -5.631 -13.285 1.00 0.00 O ATOM 368 CB VAL A 25 -7.986 -2.776 -14.429 1.00 0.00 C ATOM 369 CG1 VAL A 25 -6.541 -2.878 -14.900 1.00 0.00 C ATOM 370 CG2 VAL A 25 -8.594 -1.446 -14.850 1.00 0.00 C ATOM 0 H VAL A 25 -10.379 -3.162 -13.793 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.799 -3.941 -16.050 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.986 -2.829 -13.340 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.971 -2.035 -14.509 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.106 -3.810 -14.539 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.511 -2.862 -15.989 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.983 -0.629 -14.466 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.632 -1.391 -15.938 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.604 -1.364 -14.447 1.00 0.00 H new ATOM 380 N PRO A 26 -7.593 -6.042 -15.320 1.00 0.00 N ATOM 381 CA PRO A 26 -6.972 -7.311 -14.932 1.00 0.00 C ATOM 382 C PRO A 26 -5.807 -7.117 -13.964 1.00 0.00 C ATOM 383 O PRO A 26 -5.071 -6.131 -14.041 1.00 0.00 O ATOM 384 CB PRO A 26 -6.483 -7.896 -16.261 1.00 0.00 C ATOM 385 CG PRO A 26 -6.334 -6.722 -17.164 1.00 0.00 C ATOM 386 CD PRO A 26 -7.403 -5.749 -16.752 1.00 0.00 C ATOM 0 HA PRO A 26 -7.670 -7.960 -14.403 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.536 -8.422 -16.137 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.197 -8.615 -16.663 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.343 -6.278 -17.068 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.452 -7.014 -18.207 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.092 -4.717 -16.914 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -8.322 -5.897 -17.319 1.00 0.00 H new ATOM 394 N GLY A 27 -5.641 -8.071 -13.060 1.00 0.00 N ATOM 395 CA GLY A 27 -4.639 -7.949 -12.022 1.00 0.00 C ATOM 396 C GLY A 27 -5.241 -7.442 -10.728 1.00 0.00 C ATOM 397 O GLY A 27 -4.621 -7.510 -9.669 1.00 0.00 O ATOM 0 H GLY A 27 -6.186 -8.932 -13.027 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.170 -8.918 -11.851 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.854 -7.268 -12.351 1.00 0.00 H new ATOM 401 N VAL A 28 -6.456 -6.937 -10.819 1.00 0.00 N ATOM 402 CA VAL A 28 -7.174 -6.446 -9.657 1.00 0.00 C ATOM 403 C VAL A 28 -8.087 -7.535 -9.103 1.00 0.00 C ATOM 404 O VAL A 28 -9.053 -7.928 -9.751 1.00 0.00 O ATOM 405 CB VAL A 28 -8.007 -5.204 -10.014 1.00 0.00 C ATOM 406 CG1 VAL A 28 -8.713 -4.656 -8.786 1.00 0.00 C ATOM 407 CG2 VAL A 28 -7.130 -4.133 -10.647 1.00 0.00 C ATOM 0 H VAL A 28 -6.972 -6.855 -11.695 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.442 -6.169 -8.898 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.765 -5.502 -10.739 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.296 -3.778 -9.063 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.377 -5.418 -8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.974 -4.378 -8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.739 -3.263 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.347 -3.843 -9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.675 -4.526 -11.557 1.00 0.00 H new ATOM 417 N GLN A 29 -7.773 -8.026 -7.912 1.00 0.00 N ATOM 418 CA GLN A 29 -8.543 -9.108 -7.317 1.00 0.00 C ATOM 419 C GLN A 29 -9.736 -8.559 -6.533 1.00 0.00 C ATOM 420 O GLN A 29 -10.878 -8.952 -6.776 1.00 0.00 O ATOM 421 CB GLN A 29 -7.638 -9.966 -6.425 1.00 0.00 C ATOM 422 CG GLN A 29 -8.385 -10.850 -5.441 1.00 0.00 C ATOM 423 CD GLN A 29 -7.705 -10.895 -4.086 1.00 0.00 C ATOM 424 OE1 GLN A 29 -8.105 -10.196 -3.155 1.00 0.00 O ATOM 425 NE2 GLN A 29 -6.678 -11.721 -3.967 1.00 0.00 N ATOM 0 H GLN A 29 -6.995 -7.694 -7.342 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.937 -9.739 -8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.014 -10.596 -7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.968 -9.310 -5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.404 -10.480 -5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.457 -11.860 -5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.380 -12.282 -4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.185 -11.796 -3.077 1.00 0.00 H new ATOM 434 N SER A 30 -9.478 -7.649 -5.598 1.00 0.00 N ATOM 435 CA SER A 30 -10.549 -7.049 -4.801 1.00 0.00 C ATOM 436 C SER A 30 -10.143 -5.664 -4.296 1.00 0.00 C ATOM 437 O SER A 30 -9.194 -5.527 -3.528 1.00 0.00 O ATOM 438 CB SER A 30 -10.904 -7.958 -3.614 1.00 0.00 C ATOM 439 OG SER A 30 -11.210 -9.276 -4.050 1.00 0.00 O ATOM 0 H SER A 30 -8.542 -7.311 -5.373 1.00 0.00 H new ATOM 0 HA SER A 30 -11.426 -6.940 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.070 -7.988 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.757 -7.543 -3.077 1.00 0.00 H new ATOM 0 HG SER A 30 -11.431 -9.834 -3.275 1.00 0.00 H new ATOM 445 N ALA A 31 -10.859 -4.640 -4.738 1.00 0.00 N ATOM 446 CA ALA A 31 -10.556 -3.266 -4.357 1.00 0.00 C ATOM 447 C ALA A 31 -11.429 -2.820 -3.187 1.00 0.00 C ATOM 448 O ALA A 31 -12.643 -2.672 -3.327 1.00 0.00 O ATOM 449 CB ALA A 31 -10.751 -2.342 -5.551 1.00 0.00 C ATOM 0 H ALA A 31 -11.658 -4.735 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.515 -3.216 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.523 -1.317 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.085 -2.646 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.785 -2.401 -5.891 1.00 0.00 H new ATOM 455 N LEU A 32 -10.810 -2.613 -2.035 1.00 0.00 N ATOM 456 CA LEU A 32 -11.525 -2.185 -0.846 1.00 0.00 C ATOM 457 C LEU A 32 -11.277 -0.706 -0.586 1.00 0.00 C ATOM 458 O LEU A 32 -10.293 -0.326 0.048 1.00 0.00 O ATOM 459 CB LEU A 32 -11.088 -3.015 0.359 1.00 0.00 C ATOM 460 CG LEU A 32 -12.221 -3.643 1.171 1.00 0.00 C ATOM 461 CD1 LEU A 32 -12.726 -2.670 2.224 1.00 0.00 C ATOM 462 CD2 LEU A 32 -13.362 -4.091 0.264 1.00 0.00 C ATOM 0 H LEU A 32 -9.807 -2.736 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.593 -2.336 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.430 -3.811 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.498 -2.380 1.021 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.826 -4.525 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.532 -3.135 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.911 -2.409 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.098 -1.768 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.154 -4.534 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.756 -3.231 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.993 -4.829 -0.448 1.00 0.00 H new ATOM 474 N VAL A 33 -12.166 0.118 -1.098 1.00 0.00 N ATOM 475 CA VAL A 33 -12.055 1.565 -0.949 1.00 0.00 C ATOM 476 C VAL A 33 -12.844 2.058 0.260 1.00 0.00 C ATOM 477 O VAL A 33 -14.025 1.750 0.412 1.00 0.00 O ATOM 478 CB VAL A 33 -12.558 2.314 -2.200 1.00 0.00 C ATOM 479 CG1 VAL A 33 -11.591 3.422 -2.589 1.00 0.00 C ATOM 480 CG2 VAL A 33 -12.784 1.363 -3.369 1.00 0.00 C ATOM 0 H VAL A 33 -12.983 -0.187 -1.627 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.995 1.776 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.519 2.764 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.965 3.937 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.501 4.132 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.613 2.992 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.138 1.926 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.847 0.865 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.529 0.617 -3.092 1.00 0.00 H new ATOM 490 N SER A 34 -12.182 2.818 1.119 1.00 0.00 N ATOM 491 CA SER A 34 -12.838 3.444 2.254 1.00 0.00 C ATOM 492 C SER A 34 -13.249 4.867 1.886 1.00 0.00 C ATOM 493 O SER A 34 -12.415 5.779 1.867 1.00 0.00 O ATOM 494 CB SER A 34 -11.907 3.449 3.468 1.00 0.00 C ATOM 495 OG SER A 34 -11.299 2.180 3.645 1.00 0.00 O ATOM 0 H SER A 34 -11.184 3.016 1.049 1.00 0.00 H new ATOM 0 HA SER A 34 -13.731 2.874 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.138 4.210 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.471 3.715 4.362 1.00 0.00 H new ATOM 0 HG SER A 34 -10.574 2.071 2.995 1.00 0.00 H new ATOM 501 N TYR A 35 -14.536 5.037 1.587 1.00 0.00 N ATOM 502 CA TYR A 35 -15.065 6.307 1.091 1.00 0.00 C ATOM 503 C TYR A 35 -14.788 7.480 2.039 1.00 0.00 C ATOM 504 O TYR A 35 -14.178 8.464 1.624 1.00 0.00 O ATOM 505 CB TYR A 35 -16.573 6.212 0.814 1.00 0.00 C ATOM 506 CG TYR A 35 -17.089 4.810 0.560 1.00 0.00 C ATOM 507 CD1 TYR A 35 -16.758 4.120 -0.600 1.00 0.00 C ATOM 508 CD2 TYR A 35 -17.920 4.180 1.479 1.00 0.00 C ATOM 509 CE1 TYR A 35 -17.242 2.847 -0.836 1.00 0.00 C ATOM 510 CE2 TYR A 35 -18.404 2.906 1.250 1.00 0.00 C ATOM 511 CZ TYR A 35 -18.061 2.243 0.092 1.00 0.00 C ATOM 512 OH TYR A 35 -18.547 0.975 -0.143 1.00 0.00 O ATOM 0 H TYR A 35 -15.238 4.303 1.681 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.538 6.505 0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.111 6.633 1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.808 6.832 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.112 4.586 -1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.192 4.695 2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -16.979 2.327 -1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.048 2.432 1.976 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.108 0.695 0.610 1.00 0.00 H new ATOM 522 N PRO A 36 -15.200 7.406 3.328 1.00 0.00 N ATOM 523 CA PRO A 36 -15.049 8.535 4.256 1.00 0.00 C ATOM 524 C PRO A 36 -13.612 8.722 4.740 1.00 0.00 C ATOM 525 O PRO A 36 -13.358 9.447 5.704 1.00 0.00 O ATOM 526 CB PRO A 36 -15.961 8.156 5.421 1.00 0.00 C ATOM 527 CG PRO A 36 -15.972 6.669 5.421 1.00 0.00 C ATOM 528 CD PRO A 36 -15.849 6.248 3.982 1.00 0.00 C ATOM 0 HA PRO A 36 -15.304 9.483 3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.583 8.550 6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.964 8.560 5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.147 6.274 6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.893 6.287 5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.249 5.343 3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.824 6.035 3.543 1.00 0.00 H new ATOM 536 N LYS A 37 -12.676 8.074 4.061 1.00 0.00 N ATOM 537 CA LYS A 37 -11.264 8.174 4.403 1.00 0.00 C ATOM 538 C LYS A 37 -10.437 8.417 3.147 1.00 0.00 C ATOM 539 O LYS A 37 -9.245 8.713 3.224 1.00 0.00 O ATOM 540 CB LYS A 37 -10.783 6.899 5.103 1.00 0.00 C ATOM 541 CG LYS A 37 -11.591 6.525 6.337 1.00 0.00 C ATOM 542 CD LYS A 37 -11.262 7.429 7.517 1.00 0.00 C ATOM 543 CE LYS A 37 -12.468 7.629 8.423 1.00 0.00 C ATOM 544 NZ LYS A 37 -12.103 8.308 9.693 1.00 0.00 N ATOM 0 H LYS A 37 -12.871 7.469 3.264 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.136 9.014 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.819 6.072 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.739 7.027 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.655 6.594 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.389 5.488 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.443 6.995 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.917 8.396 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.221 8.219 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.919 6.662 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.953 8.425 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.404 7.733 10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.696 9.242 9.483 1.00 0.00 H new ATOM 558 N GLY A 38 -11.079 8.281 1.988 1.00 0.00 N ATOM 559 CA GLY A 38 -10.415 8.533 0.720 1.00 0.00 C ATOM 560 C GLY A 38 -9.306 7.546 0.414 1.00 0.00 C ATOM 561 O GLY A 38 -8.475 7.791 -0.460 1.00 0.00 O ATOM 0 H GLY A 38 -12.056 7.998 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.153 8.498 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.001 9.541 0.729 1.00 0.00 H new ATOM 565 N THR A 39 -9.299 6.422 1.111 1.00 0.00 N ATOM 566 CA THR A 39 -8.228 5.452 0.966 1.00 0.00 C ATOM 567 C THR A 39 -8.676 4.246 0.153 1.00 0.00 C ATOM 568 O THR A 39 -9.772 3.724 0.348 1.00 0.00 O ATOM 569 CB THR A 39 -7.715 4.984 2.336 1.00 0.00 C ATOM 570 OG1 THR A 39 -8.275 5.808 3.369 1.00 0.00 O ATOM 571 CG2 THR A 39 -6.195 5.050 2.396 1.00 0.00 C ATOM 0 H THR A 39 -10.022 6.160 1.781 1.00 0.00 H new ATOM 0 HA THR A 39 -7.417 5.951 0.434 1.00 0.00 H new ATOM 0 HB THR A 39 -8.023 3.949 2.485 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.947 5.506 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.855 4.714 3.375 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.772 4.407 1.624 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.869 6.077 2.231 1.00 0.00 H new ATOM 579 N ALA A 40 -7.826 3.819 -0.764 1.00 0.00 N ATOM 580 CA ALA A 40 -8.113 2.669 -1.602 1.00 0.00 C ATOM 581 C ALA A 40 -7.184 1.514 -1.264 1.00 0.00 C ATOM 582 O ALA A 40 -6.007 1.521 -1.628 1.00 0.00 O ATOM 583 CB ALA A 40 -7.988 3.042 -3.073 1.00 0.00 C ATOM 0 H ALA A 40 -6.923 4.257 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.138 2.350 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.206 2.170 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.695 3.838 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.974 3.386 -3.276 1.00 0.00 H new ATOM 589 N GLN A 41 -7.714 0.530 -0.555 1.00 0.00 N ATOM 590 CA GLN A 41 -6.944 -0.653 -0.198 1.00 0.00 C ATOM 591 C GLN A 41 -7.299 -1.796 -1.135 1.00 0.00 C ATOM 592 O GLN A 41 -8.096 -2.673 -0.797 1.00 0.00 O ATOM 593 CB GLN A 41 -7.211 -1.061 1.254 1.00 0.00 C ATOM 594 CG GLN A 41 -7.176 0.099 2.237 1.00 0.00 C ATOM 595 CD GLN A 41 -8.560 0.529 2.681 1.00 0.00 C ATOM 596 OE1 GLN A 41 -8.955 1.678 2.488 1.00 0.00 O ATOM 597 NE2 GLN A 41 -9.305 -0.389 3.280 1.00 0.00 N ATOM 0 H GLN A 41 -8.676 0.526 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.884 -0.420 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.186 -1.544 1.312 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.470 -1.802 1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.591 -0.188 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.667 0.946 1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.939 -1.331 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.244 -0.154 3.601 1.00 0.00 H new ATOM 606 N LEU A 42 -6.718 -1.778 -2.320 1.00 0.00 N ATOM 607 CA LEU A 42 -7.038 -2.764 -3.336 1.00 0.00 C ATOM 608 C LEU A 42 -6.060 -3.925 -3.290 1.00 0.00 C ATOM 609 O LEU A 42 -4.846 -3.733 -3.337 1.00 0.00 O ATOM 610 CB LEU A 42 -7.028 -2.129 -4.730 1.00 0.00 C ATOM 611 CG LEU A 42 -6.919 -0.607 -4.748 1.00 0.00 C ATOM 612 CD1 LEU A 42 -5.480 -0.182 -4.993 1.00 0.00 C ATOM 613 CD2 LEU A 42 -7.840 -0.017 -5.803 1.00 0.00 C ATOM 0 H LEU A 42 -6.020 -1.090 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.039 -3.143 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.194 -2.544 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.941 -2.418 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.229 -0.227 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.419 0.906 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.845 -0.574 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.144 -0.573 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.748 1.069 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.563 -0.402 -6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.871 -0.294 -5.582 1.00 0.00 H new ATOM 625 N ALA A 43 -6.601 -5.125 -3.203 1.00 0.00 N ATOM 626 CA ALA A 43 -5.806 -6.328 -3.223 1.00 0.00 C ATOM 627 C ALA A 43 -5.533 -6.709 -4.664 1.00 0.00 C ATOM 628 O ALA A 43 -6.252 -7.509 -5.268 1.00 0.00 O ATOM 629 CB ALA A 43 -6.515 -7.449 -2.488 1.00 0.00 C ATOM 0 H ALA A 43 -7.604 -5.289 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.859 -6.151 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.899 -8.348 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.684 -7.155 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.472 -7.651 -2.969 1.00 0.00 H new ATOM 635 N ILE A 44 -4.539 -6.056 -5.227 1.00 0.00 N ATOM 636 CA ILE A 44 -4.106 -6.331 -6.583 1.00 0.00 C ATOM 637 C ILE A 44 -2.986 -7.361 -6.583 1.00 0.00 C ATOM 638 O ILE A 44 -2.216 -7.456 -5.627 1.00 0.00 O ATOM 639 CB ILE A 44 -3.621 -5.048 -7.295 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.699 -4.236 -6.381 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.808 -4.206 -7.733 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.433 -3.767 -7.061 1.00 0.00 C ATOM 0 H ILE A 44 -4.008 -5.321 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.966 -6.723 -7.126 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.055 -5.340 -8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.243 -3.369 -6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.433 -4.843 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.451 -3.306 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.428 -4.781 -8.421 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.398 -3.926 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.829 -3.199 -6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.866 -4.630 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.689 -3.133 -7.910 1.00 0.00 H new ATOM 654 N VAL A 45 -2.919 -8.142 -7.646 1.00 0.00 N ATOM 655 CA VAL A 45 -1.852 -9.115 -7.811 1.00 0.00 C ATOM 656 C VAL A 45 -0.568 -8.382 -8.195 1.00 0.00 C ATOM 657 O VAL A 45 -0.603 -7.477 -9.027 1.00 0.00 O ATOM 658 CB VAL A 45 -2.201 -10.173 -8.883 1.00 0.00 C ATOM 659 CG1 VAL A 45 -1.494 -11.489 -8.602 1.00 0.00 C ATOM 660 CG2 VAL A 45 -3.702 -10.396 -8.962 1.00 0.00 C ATOM 0 H VAL A 45 -3.593 -8.122 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.717 -9.643 -6.867 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.856 -9.791 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.757 -12.215 -9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.416 -11.331 -8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.802 -11.866 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.919 -11.145 -9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.070 -10.744 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.196 -9.460 -9.222 1.00 0.00 H new ATOM 670 N PRO A 46 0.576 -8.758 -7.587 1.00 0.00 N ATOM 671 CA PRO A 46 1.869 -8.061 -7.760 1.00 0.00 C ATOM 672 C PRO A 46 2.306 -7.864 -9.219 1.00 0.00 C ATOM 673 O PRO A 46 3.254 -7.123 -9.487 1.00 0.00 O ATOM 674 CB PRO A 46 2.876 -8.965 -7.030 1.00 0.00 C ATOM 675 CG PRO A 46 2.156 -10.241 -6.765 1.00 0.00 C ATOM 676 CD PRO A 46 0.707 -9.881 -6.646 1.00 0.00 C ATOM 0 HA PRO A 46 1.798 -7.046 -7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.763 -9.136 -7.640 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.212 -8.505 -6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.316 -10.954 -7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.518 -10.710 -5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.059 -10.714 -6.917 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.444 -9.590 -5.629 1.00 0.00 H new ATOM 684 N GLY A 47 1.636 -8.527 -10.154 1.00 0.00 N ATOM 685 CA GLY A 47 1.947 -8.353 -11.563 1.00 0.00 C ATOM 686 C GLY A 47 1.470 -7.014 -12.102 1.00 0.00 C ATOM 687 O GLY A 47 1.985 -6.522 -13.105 1.00 0.00 O ATOM 0 H GLY A 47 0.880 -9.184 -9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.024 -8.436 -11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.485 -9.157 -12.136 1.00 0.00 H new ATOM 691 N THR A 48 0.482 -6.429 -11.441 1.00 0.00 N ATOM 692 CA THR A 48 -0.044 -5.127 -11.829 1.00 0.00 C ATOM 693 C THR A 48 0.775 -4.013 -11.210 1.00 0.00 C ATOM 694 O THR A 48 1.814 -4.262 -10.592 1.00 0.00 O ATOM 695 CB THR A 48 -1.527 -4.987 -11.421 1.00 0.00 C ATOM 696 OG1 THR A 48 -2.084 -6.286 -11.191 1.00 0.00 O ATOM 697 CG2 THR A 48 -2.331 -4.274 -12.499 1.00 0.00 C ATOM 0 H THR A 48 0.025 -6.839 -10.627 1.00 0.00 H new ATOM 0 HA THR A 48 0.024 -5.049 -12.914 1.00 0.00 H new ATOM 0 HB THR A 48 -1.575 -4.392 -10.509 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.790 -6.224 -10.514 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.371 -4.191 -12.182 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.920 -3.277 -12.660 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.279 -4.842 -13.428 1.00 0.00 H new ATOM 705 N SER A 49 0.309 -2.788 -11.363 1.00 0.00 N ATOM 706 CA SER A 49 1.058 -1.650 -10.901 1.00 0.00 C ATOM 707 C SER A 49 0.120 -0.506 -10.528 1.00 0.00 C ATOM 708 O SER A 49 -0.845 -0.227 -11.241 1.00 0.00 O ATOM 709 CB SER A 49 2.049 -1.196 -11.979 1.00 0.00 C ATOM 710 OG SER A 49 1.847 -1.894 -13.203 1.00 0.00 O ATOM 0 H SER A 49 -0.583 -2.562 -11.803 1.00 0.00 H new ATOM 0 HA SER A 49 1.616 -1.941 -10.011 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.939 -0.125 -12.148 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.068 -1.360 -11.630 1.00 0.00 H new ATOM 0 HG SER A 49 2.493 -1.580 -13.869 1.00 0.00 H new ATOM 716 N PRO A 50 0.383 0.152 -9.386 1.00 0.00 N ATOM 717 CA PRO A 50 -0.441 1.260 -8.880 1.00 0.00 C ATOM 718 C PRO A 50 -0.634 2.384 -9.890 1.00 0.00 C ATOM 719 O PRO A 50 -1.662 3.066 -9.877 1.00 0.00 O ATOM 720 CB PRO A 50 0.352 1.762 -7.672 1.00 0.00 C ATOM 721 CG PRO A 50 1.126 0.577 -7.219 1.00 0.00 C ATOM 722 CD PRO A 50 1.503 -0.156 -8.473 1.00 0.00 C ATOM 0 HA PRO A 50 -1.453 0.928 -8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.011 2.587 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.309 2.128 -6.887 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.011 0.877 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.529 -0.053 -6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.456 0.190 -8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.600 -1.228 -8.300 1.00 0.00 H new ATOM 730 N ASP A 51 0.348 2.576 -10.756 1.00 0.00 N ATOM 731 CA ASP A 51 0.250 3.571 -11.816 1.00 0.00 C ATOM 732 C ASP A 51 -0.960 3.296 -12.696 1.00 0.00 C ATOM 733 O ASP A 51 -1.611 4.222 -13.176 1.00 0.00 O ATOM 734 CB ASP A 51 1.526 3.576 -12.660 1.00 0.00 C ATOM 735 CG ASP A 51 1.404 4.431 -13.905 1.00 0.00 C ATOM 736 OD1 ASP A 51 1.699 5.642 -13.835 1.00 0.00 O ATOM 737 OD2 ASP A 51 1.007 3.895 -14.959 1.00 0.00 O ATOM 0 H ASP A 51 1.225 2.055 -10.747 1.00 0.00 H new ATOM 0 HA ASP A 51 0.129 4.552 -11.357 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.355 3.941 -12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.769 2.554 -12.949 1.00 0.00 H new ATOM 742 N ALA A 52 -1.293 2.021 -12.848 1.00 0.00 N ATOM 743 CA ALA A 52 -2.379 1.618 -13.727 1.00 0.00 C ATOM 744 C ALA A 52 -3.723 1.920 -13.079 1.00 0.00 C ATOM 745 O ALA A 52 -4.672 2.330 -13.743 1.00 0.00 O ATOM 746 CB ALA A 52 -2.267 0.138 -14.071 1.00 0.00 C ATOM 0 H ALA A 52 -0.825 1.249 -12.373 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.307 2.189 -14.653 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.088 -0.146 -14.729 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.318 -0.048 -14.574 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.315 -0.453 -13.156 1.00 0.00 H new ATOM 752 N LEU A 53 -3.780 1.745 -11.767 1.00 0.00 N ATOM 753 CA LEU A 53 -5.006 1.966 -11.018 1.00 0.00 C ATOM 754 C LEU A 53 -5.270 3.457 -10.892 1.00 0.00 C ATOM 755 O LEU A 53 -6.382 3.929 -11.131 1.00 0.00 O ATOM 756 CB LEU A 53 -4.912 1.323 -9.637 1.00 0.00 C ATOM 757 CG LEU A 53 -4.829 -0.203 -9.644 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.564 -0.670 -8.940 1.00 0.00 C ATOM 759 CD2 LEU A 53 -6.061 -0.808 -8.992 1.00 0.00 C ATOM 0 H LEU A 53 -2.987 1.449 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.835 1.504 -11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.033 1.718 -9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.782 1.623 -9.052 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.790 -0.542 -10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.521 -1.759 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.692 -0.266 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.572 -0.321 -7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.984 -1.895 -9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.133 -0.463 -7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.951 -0.500 -9.541 1.00 0.00 H new ATOM 771 N THR A 54 -4.227 4.194 -10.535 1.00 0.00 N ATOM 772 CA THR A 54 -4.300 5.643 -10.463 1.00 0.00 C ATOM 773 C THR A 54 -4.711 6.220 -11.814 1.00 0.00 C ATOM 774 O THR A 54 -5.566 7.099 -11.894 1.00 0.00 O ATOM 775 CB THR A 54 -2.946 6.243 -10.038 1.00 0.00 C ATOM 776 OG1 THR A 54 -2.414 5.508 -8.929 1.00 0.00 O ATOM 777 CG2 THR A 54 -3.089 7.708 -9.653 1.00 0.00 C ATOM 0 H THR A 54 -3.316 3.807 -10.290 1.00 0.00 H new ATOM 0 HA THR A 54 -5.049 5.904 -9.715 1.00 0.00 H new ATOM 0 HB THR A 54 -2.266 6.175 -10.887 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.989 4.687 -9.254 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.117 8.103 -9.358 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.467 8.273 -10.505 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.786 7.799 -8.820 1.00 0.00 H new ATOM 785 N ALA A 55 -4.110 5.694 -12.875 1.00 0.00 N ATOM 786 CA ALA A 55 -4.423 6.124 -14.232 1.00 0.00 C ATOM 787 C ALA A 55 -5.851 5.751 -14.606 1.00 0.00 C ATOM 788 O ALA A 55 -6.518 6.481 -15.336 1.00 0.00 O ATOM 789 CB ALA A 55 -3.445 5.525 -15.231 1.00 0.00 C ATOM 0 H ALA A 55 -3.399 4.965 -12.820 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.330 7.210 -14.265 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.700 5.861 -16.236 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.433 5.847 -14.987 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.501 4.437 -15.187 1.00 0.00 H new ATOM 795 N ALA A 56 -6.313 4.608 -14.115 1.00 0.00 N ATOM 796 CA ALA A 56 -7.683 4.173 -14.361 1.00 0.00 C ATOM 797 C ALA A 56 -8.674 5.121 -13.703 1.00 0.00 C ATOM 798 O ALA A 56 -9.677 5.494 -14.306 1.00 0.00 O ATOM 799 CB ALA A 56 -7.895 2.752 -13.862 1.00 0.00 C ATOM 0 H ALA A 56 -5.761 3.967 -13.545 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.855 4.188 -15.437 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.924 2.448 -14.056 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.214 2.078 -14.382 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.700 2.710 -12.790 1.00 0.00 H new ATOM 805 N VAL A 57 -8.380 5.521 -12.471 1.00 0.00 N ATOM 806 CA VAL A 57 -9.238 6.449 -11.743 1.00 0.00 C ATOM 807 C VAL A 57 -9.146 7.842 -12.348 1.00 0.00 C ATOM 808 O VAL A 57 -10.153 8.542 -12.471 1.00 0.00 O ATOM 809 CB VAL A 57 -8.876 6.523 -10.244 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.859 7.413 -9.495 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.845 5.135 -9.627 1.00 0.00 C ATOM 0 H VAL A 57 -7.554 5.217 -11.955 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.257 6.071 -11.829 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.881 6.960 -10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.585 7.451 -8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.831 8.419 -9.914 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.866 7.007 -9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.588 5.212 -8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.825 4.670 -9.729 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.100 4.526 -10.138 1.00 0.00 H new ATOM 821 N ALA A 58 -7.936 8.239 -12.738 1.00 0.00 N ATOM 822 CA ALA A 58 -7.738 9.532 -13.381 1.00 0.00 C ATOM 823 C ALA A 58 -8.464 9.567 -14.722 1.00 0.00 C ATOM 824 O ALA A 58 -9.151 10.533 -15.049 1.00 0.00 O ATOM 825 CB ALA A 58 -6.256 9.820 -13.564 1.00 0.00 C ATOM 0 H ALA A 58 -7.086 7.688 -12.620 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.155 10.308 -12.739 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.131 10.790 -14.046 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.765 9.832 -12.591 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.809 9.045 -14.187 1.00 0.00 H new ATOM 831 N GLY A 59 -8.324 8.485 -15.479 1.00 0.00 N ATOM 832 CA GLY A 59 -8.992 8.366 -16.760 1.00 0.00 C ATOM 833 C GLY A 59 -10.482 8.124 -16.617 1.00 0.00 C ATOM 834 O GLY A 59 -11.229 8.227 -17.588 1.00 0.00 O ATOM 0 H GLY A 59 -7.753 7.680 -15.224 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.829 9.276 -17.337 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.546 7.546 -17.324 1.00 0.00 H new ATOM 838 N LEU A 60 -10.916 7.779 -15.408 1.00 0.00 N ATOM 839 CA LEU A 60 -12.341 7.637 -15.119 1.00 0.00 C ATOM 840 C LEU A 60 -13.007 9.005 -15.012 1.00 0.00 C ATOM 841 O LEU A 60 -14.221 9.105 -14.833 1.00 0.00 O ATOM 842 CB LEU A 60 -12.555 6.854 -13.824 1.00 0.00 C ATOM 843 CG LEU A 60 -13.398 5.585 -13.954 1.00 0.00 C ATOM 844 CD1 LEU A 60 -14.881 5.921 -13.971 1.00 0.00 C ATOM 845 CD2 LEU A 60 -13.013 4.801 -15.199 1.00 0.00 C ATOM 0 H LEU A 60 -10.304 7.593 -14.614 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.797 7.086 -15.942 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.580 6.582 -13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.030 7.512 -13.096 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.199 4.960 -13.084 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.461 5.003 -14.064 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.150 6.428 -13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.097 6.574 -14.817 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.627 3.903 -15.268 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.173 5.419 -16.082 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.962 4.518 -15.140 1.00 0.00 H new ATOM 857 N GLY A 61 -12.204 10.053 -15.120 1.00 0.00 N ATOM 858 CA GLY A 61 -12.723 11.401 -15.039 1.00 0.00 C ATOM 859 C GLY A 61 -12.582 11.975 -13.650 1.00 0.00 C ATOM 860 O GLY A 61 -13.018 13.094 -13.381 1.00 0.00 O ATOM 0 H GLY A 61 -11.196 9.992 -15.263 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.195 12.037 -15.750 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.774 11.404 -15.328 1.00 0.00 H new ATOM 864 N TYR A 62 -11.968 11.205 -12.767 1.00 0.00 N ATOM 865 CA TYR A 62 -11.788 11.620 -11.389 1.00 0.00 C ATOM 866 C TYR A 62 -10.307 11.749 -11.070 1.00 0.00 C ATOM 867 O TYR A 62 -9.460 11.590 -11.947 1.00 0.00 O ATOM 868 CB TYR A 62 -12.454 10.619 -10.442 1.00 0.00 C ATOM 869 CG TYR A 62 -13.962 10.611 -10.553 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.705 11.732 -10.206 1.00 0.00 C ATOM 871 CD2 TYR A 62 -14.643 9.492 -11.019 1.00 0.00 C ATOM 872 CE1 TYR A 62 -16.083 11.738 -10.313 1.00 0.00 C ATOM 873 CE2 TYR A 62 -16.021 9.491 -11.131 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.735 10.616 -10.778 1.00 0.00 C ATOM 875 OH TYR A 62 -18.107 10.621 -10.892 1.00 0.00 O ATOM 0 H TYR A 62 -11.585 10.285 -12.983 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.260 12.593 -11.251 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -12.075 9.619 -10.654 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.172 10.856 -9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.197 12.615 -9.846 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.087 8.609 -11.298 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.646 12.617 -10.034 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.535 8.613 -11.493 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.410 9.755 -11.235 1.00 0.00 H new ATOM 885 N LYS A 63 -9.994 12.035 -9.821 1.00 0.00 N ATOM 886 CA LYS A 63 -8.612 12.220 -9.417 1.00 0.00 C ATOM 887 C LYS A 63 -8.193 11.161 -8.413 1.00 0.00 C ATOM 888 O LYS A 63 -8.982 10.760 -7.553 1.00 0.00 O ATOM 889 CB LYS A 63 -8.415 13.610 -8.817 1.00 0.00 C ATOM 890 CG LYS A 63 -7.840 14.615 -9.800 1.00 0.00 C ATOM 891 CD LYS A 63 -8.605 15.926 -9.765 1.00 0.00 C ATOM 892 CE LYS A 63 -7.800 17.019 -9.087 1.00 0.00 C ATOM 893 NZ LYS A 63 -8.610 17.775 -8.098 1.00 0.00 N ATOM 0 H LYS A 63 -10.675 12.144 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.987 12.122 -10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.373 13.979 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.752 13.535 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.792 14.798 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.873 14.200 -10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.853 16.232 -10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.548 15.785 -9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.938 16.577 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.415 17.706 -9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.022 18.512 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.419 18.218 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.957 17.125 -7.364 1.00 0.00 H new ATOM 907 N ALA A 64 -6.959 10.706 -8.538 1.00 0.00 N ATOM 908 CA ALA A 64 -6.390 9.754 -7.601 1.00 0.00 C ATOM 909 C ALA A 64 -4.902 10.014 -7.440 1.00 0.00 C ATOM 910 O ALA A 64 -4.260 10.549 -8.342 1.00 0.00 O ATOM 911 CB ALA A 64 -6.631 8.328 -8.073 1.00 0.00 C ATOM 0 H ALA A 64 -6.326 10.984 -9.288 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.878 9.880 -6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.197 7.630 -7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.703 8.147 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.166 8.184 -9.048 1.00 0.00 H new ATOM 917 N THR A 65 -4.364 9.649 -6.290 1.00 0.00 N ATOM 918 CA THR A 65 -2.946 9.815 -6.022 1.00 0.00 C ATOM 919 C THR A 65 -2.379 8.565 -5.365 1.00 0.00 C ATOM 920 O THR A 65 -3.026 7.962 -4.509 1.00 0.00 O ATOM 921 CB THR A 65 -2.690 11.027 -5.108 1.00 0.00 C ATOM 922 OG1 THR A 65 -3.929 11.681 -4.800 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.739 12.014 -5.766 1.00 0.00 C ATOM 0 H THR A 65 -4.891 9.233 -5.522 1.00 0.00 H new ATOM 0 HA THR A 65 -2.449 9.984 -6.977 1.00 0.00 H new ATOM 0 HB THR A 65 -2.231 10.667 -4.187 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.757 12.450 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.575 12.861 -5.100 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.788 11.522 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.172 12.367 -6.702 1.00 0.00 H new ATOM 931 N LEU A 66 -1.183 8.163 -5.776 1.00 0.00 N ATOM 932 CA LEU A 66 -0.512 7.026 -5.161 1.00 0.00 C ATOM 933 C LEU A 66 -0.067 7.395 -3.751 1.00 0.00 C ATOM 934 O LEU A 66 0.864 8.180 -3.572 1.00 0.00 O ATOM 935 CB LEU A 66 0.697 6.589 -5.999 1.00 0.00 C ATOM 936 CG LEU A 66 0.715 5.114 -6.398 1.00 0.00 C ATOM 937 CD1 LEU A 66 1.916 4.828 -7.287 1.00 0.00 C ATOM 938 CD2 LEU A 66 0.736 4.222 -5.161 1.00 0.00 C ATOM 0 H LEU A 66 -0.659 8.606 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.212 6.192 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.728 7.194 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.606 6.808 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.194 4.893 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.920 3.774 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.857 5.441 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.833 5.064 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.749 3.176 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.627 4.438 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.153 4.413 -4.559 1.00 0.00 H new ATOM 950 N ALA A 67 -0.742 6.837 -2.758 1.00 0.00 N ATOM 951 CA ALA A 67 -0.479 7.172 -1.371 1.00 0.00 C ATOM 952 C ALA A 67 -0.852 6.011 -0.463 1.00 0.00 C ATOM 953 O ALA A 67 -2.033 5.719 -0.264 1.00 0.00 O ATOM 954 CB ALA A 67 -1.244 8.425 -0.972 1.00 0.00 C ATOM 0 H ALA A 67 -1.480 6.146 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 67 0.587 7.368 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.035 8.662 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.933 9.258 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.313 8.254 -1.098 1.00 0.00 H new