USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -113:sc= -7.06! (180deg=-10.5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -124:sc= -2.19! USER MOD Single : A 9 SER OG : rot -46:sc= -2.67! USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.197) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 30:sc= 0.0311 USER MOD Single : A 20 HIS : no HE2:sc= -11.4! C(o=-11!,f=-19!) USER MOD Single : A 21 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.19) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 82:sc= 0.9 USER MOD Single : A 41 SER OG : rot -64:sc= 0.649 USER MOD Single : A 54 LYS NZ :NH3+ 145:sc=-0.00605 (180deg=-0.254) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.52! USER MOD Single : A 58 THR OG1 : rot 176:sc= -5.2! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 79:sc= -6.4! USER MOD Single : A 72 ASN : amide:sc= -0.189 K(o=-0.19,f=-3.3!) USER MOD Single : A 73 TYR OH : rot 89:sc= -3.82! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -126:sc= 0.0605 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -13.6! C(o=-14!,f=-22!) USER MOD Single : A 93 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 19.376 3.071 1.634 1.00 0.00 N ATOM 2 CA LEU A 1 19.926 1.751 2.052 1.00 0.00 C ATOM 3 C LEU A 1 18.782 0.747 2.207 1.00 0.00 C ATOM 4 O LEU A 1 17.658 1.010 1.829 1.00 0.00 O ATOM 5 CB LEU A 1 20.659 1.903 3.387 1.00 0.00 C ATOM 6 CG LEU A 1 22.133 2.218 3.126 1.00 0.00 C ATOM 7 CD1 LEU A 1 22.240 3.398 2.159 1.00 0.00 C ATOM 8 CD2 LEU A 1 22.818 2.578 4.446 1.00 0.00 C ATOM 0 H1 LEU A 1 19.692 3.288 0.667 1.00 0.00 H new ATOM 0 H2 LEU A 1 18.337 3.038 1.659 1.00 0.00 H new ATOM 0 H3 LEU A 1 19.715 3.810 2.283 1.00 0.00 H new ATOM 0 HA LEU A 1 20.623 1.391 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.204 2.700 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 1 20.570 0.986 3.970 1.00 0.00 H new ATOM 0 HG LEU A 1 22.619 1.345 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 1 23.290 3.622 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 1 21.752 3.143 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 1 21.754 4.271 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 1 23.868 2.803 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 1 22.332 3.450 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 1 22.743 1.738 5.136 1.00 0.00 H new ATOM 22 N LYS A 2 19.064 -0.403 2.759 1.00 0.00 N ATOM 23 CA LYS A 2 17.999 -1.432 2.940 1.00 0.00 C ATOM 24 C LYS A 2 16.711 -0.759 3.426 1.00 0.00 C ATOM 25 O LYS A 2 16.757 0.161 4.218 1.00 0.00 O ATOM 26 CB LYS A 2 18.457 -2.457 3.979 1.00 0.00 C ATOM 27 CG LYS A 2 18.460 -3.853 3.355 1.00 0.00 C ATOM 28 CD LYS A 2 18.845 -4.885 4.417 1.00 0.00 C ATOM 29 CE LYS A 2 17.602 -5.669 4.844 1.00 0.00 C ATOM 30 NZ LYS A 2 17.934 -6.527 6.017 1.00 0.00 N ATOM 0 H LYS A 2 19.989 -0.675 3.093 1.00 0.00 H new ATOM 0 HA LYS A 2 17.811 -1.931 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.455 -2.206 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.793 -2.435 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.475 -4.084 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.164 -3.890 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.599 -5.566 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.287 -4.387 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.795 -4.982 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.246 -6.285 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.089 -7.060 6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.691 -7.192 5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.254 -5.929 6.805 1.00 0.00 H new ATOM 44 N PRO A 3 15.597 -1.241 2.935 1.00 0.00 N ATOM 45 CA PRO A 3 14.305 -0.551 3.079 1.00 0.00 C ATOM 46 C PRO A 3 13.727 -0.795 4.475 1.00 0.00 C ATOM 47 O PRO A 3 13.315 -1.890 4.804 1.00 0.00 O ATOM 48 CB PRO A 3 13.428 -1.203 2.009 1.00 0.00 C ATOM 49 CG PRO A 3 14.058 -2.584 1.712 1.00 0.00 C ATOM 50 CD PRO A 3 15.521 -2.517 2.193 1.00 0.00 C ATOM 0 HA PRO A 3 14.380 0.530 2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.402 -1.311 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.393 -0.590 1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.516 -3.376 2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.011 -2.810 0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.770 -3.365 2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.218 -2.533 1.355 1.00 0.00 H new ATOM 58 N LYS A 4 13.688 0.215 5.297 1.00 0.00 N ATOM 59 CA LYS A 4 13.134 0.039 6.665 1.00 0.00 C ATOM 60 C LYS A 4 11.653 0.414 6.653 1.00 0.00 C ATOM 61 O LYS A 4 11.273 1.477 7.100 1.00 0.00 O ATOM 62 CB LYS A 4 13.885 0.947 7.641 1.00 0.00 C ATOM 63 CG LYS A 4 14.158 0.187 8.941 1.00 0.00 C ATOM 64 CD LYS A 4 15.651 0.253 9.268 1.00 0.00 C ATOM 65 CE LYS A 4 16.456 -0.331 8.106 1.00 0.00 C ATOM 66 NZ LYS A 4 17.190 -1.542 8.570 1.00 0.00 N ATOM 0 H LYS A 4 14.017 1.156 5.079 1.00 0.00 H new ATOM 0 HA LYS A 4 13.249 -0.998 6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.824 1.278 7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.297 1.842 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.577 0.619 9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.843 -0.852 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.949 1.286 9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.858 -0.302 10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.791 -0.589 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.159 0.411 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.738 -1.940 7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.836 -1.282 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.510 -2.251 8.911 1.00 0.00 H new ATOM 80 N ILE A 5 10.819 -0.454 6.139 1.00 0.00 N ATOM 81 CA ILE A 5 9.357 -0.162 6.088 1.00 0.00 C ATOM 82 C ILE A 5 8.761 -0.331 7.488 1.00 0.00 C ATOM 83 O ILE A 5 8.746 -1.411 8.044 1.00 0.00 O ATOM 84 CB ILE A 5 8.691 -1.118 5.089 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.340 -0.550 4.653 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.484 -2.490 5.729 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.266 -0.526 3.125 1.00 0.00 C ATOM 0 H ILE A 5 11.091 -1.357 5.751 1.00 0.00 H new ATOM 0 HA ILE A 5 9.184 0.863 5.760 1.00 0.00 H new ATOM 0 HB ILE A 5 9.339 -1.225 4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.530 -1.158 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.212 0.457 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.011 -3.159 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.448 -2.901 6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.845 -2.390 6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.303 -0.121 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.067 0.100 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.375 -1.540 2.739 1.00 0.00 H new ATOM 99 N LEU A 6 8.291 0.740 8.071 1.00 0.00 N ATOM 100 CA LEU A 6 7.720 0.654 9.444 1.00 0.00 C ATOM 101 C LEU A 6 6.191 0.726 9.394 1.00 0.00 C ATOM 102 O LEU A 6 5.527 0.477 10.381 1.00 0.00 O ATOM 103 CB LEU A 6 8.255 1.815 10.285 1.00 0.00 C ATOM 104 CG LEU A 6 9.062 1.264 11.462 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.269 0.486 10.936 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.546 2.425 12.335 1.00 0.00 C ATOM 0 H LEU A 6 8.279 1.671 7.654 1.00 0.00 H new ATOM 0 HA LEU A 6 8.012 -0.297 9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.882 2.463 9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.428 2.424 10.651 1.00 0.00 H new ATOM 0 HG LEU A 6 8.432 0.600 12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.843 0.094 11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.926 -0.340 10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.899 1.149 10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.121 2.034 13.174 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.175 3.089 11.742 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.687 2.980 12.711 1.00 0.00 H new ATOM 118 N THR A 7 5.626 1.067 8.264 1.00 0.00 N ATOM 119 CA THR A 7 4.136 1.149 8.172 1.00 0.00 C ATOM 120 C THR A 7 3.509 -0.022 8.934 1.00 0.00 C ATOM 121 O THR A 7 3.690 -1.171 8.584 1.00 0.00 O ATOM 122 CB THR A 7 3.708 1.080 6.707 1.00 0.00 C ATOM 123 OG1 THR A 7 2.314 0.814 6.638 1.00 0.00 O ATOM 124 CG2 THR A 7 4.478 -0.037 6.004 1.00 0.00 C ATOM 0 H THR A 7 6.128 1.291 7.405 1.00 0.00 H new ATOM 0 HA THR A 7 3.802 2.091 8.607 1.00 0.00 H new ATOM 0 HB THR A 7 3.922 2.030 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.161 0.007 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.173 -0.087 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.547 0.167 6.061 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.264 -0.989 6.490 1.00 0.00 H new ATOM 132 N ALA A 8 2.777 0.261 9.977 1.00 0.00 N ATOM 133 CA ALA A 8 2.143 -0.834 10.766 1.00 0.00 C ATOM 134 C ALA A 8 1.453 -1.813 9.823 1.00 0.00 C ATOM 135 O ALA A 8 1.442 -3.007 10.045 1.00 0.00 O ATOM 136 CB ALA A 8 1.114 -0.242 11.731 1.00 0.00 C ATOM 0 H ALA A 8 2.590 1.204 10.317 1.00 0.00 H new ATOM 0 HA ALA A 8 2.911 -1.360 11.333 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.652 -1.044 12.307 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.609 0.453 12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.347 0.287 11.165 1.00 0.00 H new ATOM 142 N SER A 9 0.883 -1.309 8.774 1.00 0.00 N ATOM 143 CA SER A 9 0.185 -2.188 7.792 1.00 0.00 C ATOM 144 C SER A 9 -0.723 -3.177 8.532 1.00 0.00 C ATOM 145 O SER A 9 -0.281 -4.182 9.051 1.00 0.00 O ATOM 146 CB SER A 9 1.225 -2.945 6.958 1.00 0.00 C ATOM 147 OG SER A 9 1.157 -4.336 7.248 1.00 0.00 O ATOM 0 H SER A 9 0.867 -0.315 8.547 1.00 0.00 H new ATOM 0 HA SER A 9 -0.430 -1.578 7.130 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.045 -2.777 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.224 -2.567 7.176 1.00 0.00 H new ATOM 0 HG SER A 9 1.122 -4.466 8.219 1.00 0.00 H new ATOM 153 N ARG A 10 -1.995 -2.897 8.579 1.00 0.00 N ATOM 154 CA ARG A 10 -2.938 -3.813 9.279 1.00 0.00 C ATOM 155 C ARG A 10 -4.187 -3.998 8.427 1.00 0.00 C ATOM 156 O ARG A 10 -4.313 -4.943 7.674 1.00 0.00 O ATOM 157 CB ARG A 10 -3.326 -3.209 10.630 1.00 0.00 C ATOM 158 CG ARG A 10 -2.600 -3.954 11.751 1.00 0.00 C ATOM 159 CD ARG A 10 -3.585 -4.265 12.879 1.00 0.00 C ATOM 160 NE ARG A 10 -3.554 -5.725 13.177 1.00 0.00 N ATOM 161 CZ ARG A 10 -3.445 -6.138 14.410 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.345 -5.916 15.077 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.435 -6.773 14.976 1.00 0.00 N ATOM 0 H ARG A 10 -2.424 -2.071 8.162 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.459 -4.779 9.438 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.066 -2.151 10.655 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.404 -3.276 10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.167 -4.878 11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.776 -3.349 12.130 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.325 -3.695 13.771 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.592 -3.963 12.591 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.618 -6.402 12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.571 -5.420 14.634 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.259 -6.239 16.041 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.294 -6.947 14.454 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.349 -7.096 15.940 1.00 0.00 H new ATOM 177 N LYS A 11 -5.107 -3.094 8.545 1.00 0.00 N ATOM 178 CA LYS A 11 -6.362 -3.188 7.749 1.00 0.00 C ATOM 179 C LYS A 11 -6.793 -1.786 7.318 1.00 0.00 C ATOM 180 O LYS A 11 -6.124 -0.810 7.595 1.00 0.00 O ATOM 181 CB LYS A 11 -7.466 -3.821 8.599 1.00 0.00 C ATOM 182 CG LYS A 11 -7.435 -3.221 10.007 1.00 0.00 C ATOM 183 CD LYS A 11 -8.717 -2.422 10.250 1.00 0.00 C ATOM 184 CE LYS A 11 -9.511 -3.063 11.390 1.00 0.00 C ATOM 185 NZ LYS A 11 -8.763 -2.903 12.669 1.00 0.00 N ATOM 0 H LYS A 11 -5.048 -2.285 9.163 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.187 -3.806 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.439 -3.646 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.327 -4.901 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.342 -4.014 10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.564 -2.575 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.473 -1.389 10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.320 -2.397 9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.493 -2.597 11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.676 -4.120 11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.427 -2.951 13.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.059 -3.664 12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.280 -1.982 12.676 1.00 0.00 H new ATOM 199 N ILE A 12 -7.903 -1.675 6.643 1.00 0.00 N ATOM 200 CA ILE A 12 -8.369 -0.333 6.199 1.00 0.00 C ATOM 201 C ILE A 12 -9.890 -0.346 6.041 1.00 0.00 C ATOM 202 O ILE A 12 -10.409 -0.537 4.960 1.00 0.00 O ATOM 203 CB ILE A 12 -7.715 0.017 4.859 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.211 0.214 5.067 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.323 1.308 4.304 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.976 1.417 5.982 1.00 0.00 C ATOM 0 H ILE A 12 -8.506 -2.454 6.380 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.090 0.413 6.943 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.888 -0.794 4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.773 -0.682 5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.718 0.371 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.853 1.551 3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.394 1.171 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.155 2.122 5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.905 1.558 6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.399 2.311 5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.456 1.241 6.945 1.00 0.00 H new ATOM 218 N LYS A 13 -10.608 -0.133 7.112 1.00 0.00 N ATOM 219 CA LYS A 13 -12.094 -0.118 7.018 1.00 0.00 C ATOM 220 C LYS A 13 -12.510 1.117 6.222 1.00 0.00 C ATOM 221 O LYS A 13 -12.766 2.169 6.774 1.00 0.00 O ATOM 222 CB LYS A 13 -12.698 -0.053 8.423 1.00 0.00 C ATOM 223 CG LYS A 13 -12.006 -1.077 9.326 1.00 0.00 C ATOM 224 CD LYS A 13 -11.805 -0.477 10.719 1.00 0.00 C ATOM 225 CE LYS A 13 -12.664 -1.237 11.731 1.00 0.00 C ATOM 226 NZ LYS A 13 -13.913 -0.469 11.999 1.00 0.00 N ATOM 0 H LYS A 13 -10.229 0.031 8.045 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.450 -1.022 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.580 0.949 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.768 -0.255 8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.607 -1.984 9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.044 -1.363 8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.754 -0.534 11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.077 0.578 10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.909 -2.227 11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.109 -1.384 12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.497 -0.986 12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.670 0.466 12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.445 -0.351 11.113 1.00 0.00 H new ATOM 240 N ILE A 14 -12.556 1.004 4.925 1.00 0.00 N ATOM 241 CA ILE A 14 -12.927 2.176 4.089 1.00 0.00 C ATOM 242 C ILE A 14 -14.446 2.262 3.937 1.00 0.00 C ATOM 243 O ILE A 14 -15.144 1.267 3.923 1.00 0.00 O ATOM 244 CB ILE A 14 -12.278 2.032 2.712 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.764 1.850 2.893 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.564 3.283 1.879 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.019 2.215 1.605 1.00 0.00 C ATOM 0 H ILE A 14 -12.352 0.149 4.408 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.575 3.088 4.572 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.687 1.165 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.412 2.476 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.546 0.817 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.101 3.180 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.641 3.404 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.154 4.158 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.948 2.080 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.357 1.570 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.221 3.255 1.350 1.00 0.00 H new ATOM 259 N LYS A 15 -14.958 3.455 3.824 1.00 0.00 N ATOM 260 CA LYS A 15 -16.426 3.634 3.670 1.00 0.00 C ATOM 261 C LYS A 15 -16.799 3.460 2.190 1.00 0.00 C ATOM 262 O LYS A 15 -16.188 4.039 1.314 1.00 0.00 O ATOM 263 CB LYS A 15 -16.797 5.040 4.145 1.00 0.00 C ATOM 264 CG LYS A 15 -16.689 5.117 5.668 1.00 0.00 C ATOM 265 CD LYS A 15 -17.853 5.942 6.220 1.00 0.00 C ATOM 266 CE LYS A 15 -17.379 7.370 6.494 1.00 0.00 C ATOM 267 NZ LYS A 15 -18.391 8.337 5.983 1.00 0.00 N ATOM 0 H LYS A 15 -14.417 4.320 3.832 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.967 2.896 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.135 5.775 3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.812 5.284 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.705 4.115 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.740 5.571 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.677 5.951 5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.231 5.490 7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.229 7.516 7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.418 7.544 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.068 9.308 6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.513 8.203 4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.299 8.176 6.464 1.00 0.00 H new ATOM 281 N ALA A 16 -17.786 2.652 1.906 1.00 0.00 N ATOM 282 CA ALA A 16 -18.193 2.419 0.485 1.00 0.00 C ATOM 283 C ALA A 16 -18.350 3.753 -0.255 1.00 0.00 C ATOM 284 O ALA A 16 -18.696 4.760 0.331 1.00 0.00 O ATOM 285 CB ALA A 16 -19.527 1.669 0.459 1.00 0.00 C ATOM 0 H ALA A 16 -18.332 2.140 2.599 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.421 1.830 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.828 1.497 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.416 0.712 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.288 2.263 0.964 1.00 0.00 H new ATOM 291 N GLY A 17 -18.104 3.757 -1.547 1.00 0.00 N ATOM 292 CA GLY A 17 -18.236 5.009 -2.347 1.00 0.00 C ATOM 293 C GLY A 17 -17.732 6.189 -1.528 1.00 0.00 C ATOM 294 O GLY A 17 -18.484 7.075 -1.175 1.00 0.00 O ATOM 0 H GLY A 17 -17.815 2.937 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.666 4.924 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.277 5.166 -2.628 1.00 0.00 H new ATOM 298 N PHE A 18 -16.472 6.204 -1.196 1.00 0.00 N ATOM 299 CA PHE A 18 -15.964 7.329 -0.374 1.00 0.00 C ATOM 300 C PHE A 18 -14.462 7.522 -0.624 1.00 0.00 C ATOM 301 O PHE A 18 -13.893 6.930 -1.526 1.00 0.00 O ATOM 302 CB PHE A 18 -16.314 7.009 1.092 1.00 0.00 C ATOM 303 CG PHE A 18 -15.119 6.973 2.009 1.00 0.00 C ATOM 304 CD1 PHE A 18 -13.994 6.209 1.690 1.00 0.00 C ATOM 305 CD2 PHE A 18 -15.172 7.673 3.216 1.00 0.00 C ATOM 306 CE1 PHE A 18 -12.920 6.150 2.580 1.00 0.00 C ATOM 307 CE2 PHE A 18 -14.103 7.613 4.104 1.00 0.00 C ATOM 308 CZ PHE A 18 -12.975 6.851 3.791 1.00 0.00 C ATOM 0 H PHE A 18 -15.784 5.497 -1.454 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.427 8.280 -0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -17.019 7.755 1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.821 6.045 1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -13.955 5.665 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.044 8.262 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.047 5.564 2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.145 8.156 5.036 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.146 6.803 4.482 1.00 0.00 H new ATOM 318 N THR A 19 -13.823 8.369 0.143 1.00 0.00 N ATOM 319 CA THR A 19 -12.371 8.623 -0.085 1.00 0.00 C ATOM 320 C THR A 19 -11.525 8.187 1.119 1.00 0.00 C ATOM 321 O THR A 19 -11.807 8.523 2.251 1.00 0.00 O ATOM 322 CB THR A 19 -12.168 10.119 -0.333 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.581 10.848 0.814 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.000 10.550 -1.544 1.00 0.00 C ATOM 0 H THR A 19 -14.242 8.892 0.912 1.00 0.00 H new ATOM 0 HA THR A 19 -12.049 8.040 -0.948 1.00 0.00 H new ATOM 0 HB THR A 19 -11.114 10.319 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.449 10.299 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.857 11.616 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.682 9.989 -2.422 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.054 10.353 -1.350 1.00 0.00 H new ATOM 332 N HIS A 20 -10.473 7.450 0.862 1.00 0.00 N ATOM 333 CA HIS A 20 -9.568 6.983 1.959 1.00 0.00 C ATOM 334 C HIS A 20 -8.166 7.556 1.721 1.00 0.00 C ATOM 335 O HIS A 20 -7.830 7.950 0.621 1.00 0.00 O ATOM 336 CB HIS A 20 -9.483 5.457 1.913 1.00 0.00 C ATOM 337 CG HIS A 20 -9.387 4.867 3.289 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.468 4.806 4.151 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.354 4.239 3.935 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.069 4.153 5.254 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.786 3.789 5.179 1.00 0.00 N ATOM 0 H HIS A 20 -10.199 7.148 -0.073 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.952 7.311 2.925 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.362 5.058 1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.614 5.158 1.327 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.398 5.188 3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.357 4.113 3.539 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.708 3.947 6.100 1.00 0.00 H new ATOM 349 N ASN A 21 -7.338 7.588 2.730 1.00 0.00 N ATOM 350 CA ASN A 21 -5.955 8.117 2.539 1.00 0.00 C ATOM 351 C ASN A 21 -4.953 7.104 3.098 1.00 0.00 C ATOM 352 O ASN A 21 -4.574 7.154 4.251 1.00 0.00 O ATOM 353 CB ASN A 21 -5.790 9.457 3.263 1.00 0.00 C ATOM 354 CG ASN A 21 -7.157 10.120 3.455 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.854 9.838 4.409 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.572 10.996 2.581 1.00 0.00 N ATOM 0 H ASN A 21 -7.557 7.272 3.675 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.774 8.273 1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.313 9.301 4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.136 10.113 2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.481 11.443 2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.987 11.233 1.780 1.00 0.00 H new ATOM 363 N LEU A 22 -4.535 6.176 2.283 1.00 0.00 N ATOM 364 CA LEU A 22 -3.572 5.135 2.740 1.00 0.00 C ATOM 365 C LEU A 22 -2.169 5.729 2.889 1.00 0.00 C ATOM 366 O LEU A 22 -1.676 6.414 2.012 1.00 0.00 O ATOM 367 CB LEU A 22 -3.544 4.026 1.696 1.00 0.00 C ATOM 368 CG LEU A 22 -2.631 2.893 2.155 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.150 1.585 1.568 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.204 3.141 1.658 1.00 0.00 C ATOM 0 H LEU A 22 -4.823 6.094 1.308 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.885 4.746 3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.552 3.646 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.193 4.422 0.743 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.624 2.843 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.508 0.763 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.167 1.408 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.146 1.648 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.557 2.329 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.201 3.187 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.837 4.085 2.062 1.00 0.00 H new ATOM 382 N GLU A 23 -1.516 5.455 3.990 1.00 0.00 N ATOM 383 CA GLU A 23 -0.140 5.992 4.199 1.00 0.00 C ATOM 384 C GLU A 23 0.821 4.845 4.539 1.00 0.00 C ATOM 385 O GLU A 23 0.426 3.819 5.057 1.00 0.00 O ATOM 386 CB GLU A 23 -0.157 6.999 5.350 1.00 0.00 C ATOM 387 CG GLU A 23 -0.615 6.302 6.632 1.00 0.00 C ATOM 388 CD GLU A 23 0.580 5.614 7.295 1.00 0.00 C ATOM 389 OE1 GLU A 23 1.700 5.974 6.971 1.00 0.00 O ATOM 390 OE2 GLU A 23 0.356 4.738 8.114 1.00 0.00 O ATOM 0 H GLU A 23 -1.878 4.882 4.753 1.00 0.00 H new ATOM 0 HA GLU A 23 0.196 6.483 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.837 7.424 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.827 7.826 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.055 7.028 7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.389 5.569 6.403 1.00 0.00 H new ATOM 397 N VAL A 24 2.083 5.018 4.246 1.00 0.00 N ATOM 398 CA VAL A 24 3.090 3.955 4.541 1.00 0.00 C ATOM 399 C VAL A 24 4.483 4.591 4.562 1.00 0.00 C ATOM 400 O VAL A 24 4.674 5.692 4.083 1.00 0.00 O ATOM 401 CB VAL A 24 3.026 2.876 3.453 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.321 2.058 3.446 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.847 1.945 3.735 1.00 0.00 C ATOM 0 H VAL A 24 2.463 5.858 3.811 1.00 0.00 H new ATOM 0 HA VAL A 24 2.880 3.497 5.508 1.00 0.00 H new ATOM 0 HB VAL A 24 2.900 3.356 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.265 1.295 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.166 2.717 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.454 1.580 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.798 1.176 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.980 1.474 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.921 2.520 3.734 1.00 0.00 H new ATOM 413 N ASP A 25 5.463 3.919 5.109 1.00 0.00 N ATOM 414 CA ASP A 25 6.826 4.519 5.144 1.00 0.00 C ATOM 415 C ASP A 25 7.902 3.433 5.184 1.00 0.00 C ATOM 416 O ASP A 25 7.737 2.399 5.800 1.00 0.00 O ATOM 417 CB ASP A 25 6.956 5.408 6.383 1.00 0.00 C ATOM 418 CG ASP A 25 6.445 4.652 7.611 1.00 0.00 C ATOM 419 OD1 ASP A 25 6.095 3.493 7.465 1.00 0.00 O ATOM 420 OD2 ASP A 25 6.410 5.246 8.676 1.00 0.00 O ATOM 0 H ASP A 25 5.379 2.993 5.527 1.00 0.00 H new ATOM 0 HA ASP A 25 6.967 5.111 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.997 5.697 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.386 6.327 6.246 1.00 0.00 H new ATOM 425 N PHE A 26 9.017 3.677 4.543 1.00 0.00 N ATOM 426 CA PHE A 26 10.120 2.676 4.557 1.00 0.00 C ATOM 427 C PHE A 26 11.426 3.348 4.135 1.00 0.00 C ATOM 428 O PHE A 26 11.502 4.002 3.116 1.00 0.00 O ATOM 429 CB PHE A 26 9.793 1.503 3.624 1.00 0.00 C ATOM 430 CG PHE A 26 9.679 1.971 2.194 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.488 2.552 1.737 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.759 1.804 1.317 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.380 2.969 0.406 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.648 2.220 -0.014 1.00 0.00 C ATOM 435 CZ PHE A 26 9.460 2.802 -0.470 1.00 0.00 C ATOM 0 H PHE A 26 9.209 4.526 4.012 1.00 0.00 H new ATOM 0 HA PHE A 26 10.232 2.283 5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.571 0.743 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.858 1.036 3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.654 2.678 2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.676 1.355 1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.464 3.420 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.480 2.092 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.376 3.123 -1.498 1.00 0.00 H new ATOM 445 N ILE A 27 12.452 3.206 4.933 1.00 0.00 N ATOM 446 CA ILE A 27 13.757 3.855 4.604 1.00 0.00 C ATOM 447 C ILE A 27 14.524 3.027 3.568 1.00 0.00 C ATOM 448 O ILE A 27 15.330 2.182 3.903 1.00 0.00 O ATOM 449 CB ILE A 27 14.590 3.986 5.884 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.043 5.142 6.721 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.053 4.268 5.530 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.548 4.934 6.968 1.00 0.00 C ATOM 0 H ILE A 27 12.443 2.668 5.800 1.00 0.00 H new ATOM 0 HA ILE A 27 13.567 4.842 4.183 1.00 0.00 H new ATOM 0 HB ILE A 27 14.531 3.055 6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.574 5.200 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.209 6.088 6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.638 4.360 6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.446 3.448 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.118 5.197 4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.160 5.759 7.565 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.023 4.898 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.394 3.996 7.502 1.00 0.00 H new ATOM 464 N GLY A 28 14.295 3.278 2.309 1.00 0.00 N ATOM 465 CA GLY A 28 15.023 2.520 1.252 1.00 0.00 C ATOM 466 C GLY A 28 15.760 3.506 0.342 1.00 0.00 C ATOM 467 O GLY A 28 15.231 4.534 -0.029 1.00 0.00 O ATOM 0 H GLY A 28 13.635 3.976 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.731 1.828 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.323 1.922 0.669 1.00 0.00 H new ATOM 471 N ALA A 29 16.978 3.205 -0.019 1.00 0.00 N ATOM 472 CA ALA A 29 17.742 4.134 -0.901 1.00 0.00 C ATOM 473 C ALA A 29 18.883 3.368 -1.583 1.00 0.00 C ATOM 474 O ALA A 29 19.086 2.202 -1.310 1.00 0.00 O ATOM 475 CB ALA A 29 18.305 5.274 -0.054 1.00 0.00 C ATOM 0 H ALA A 29 17.476 2.359 0.257 1.00 0.00 H new ATOM 0 HA ALA A 29 17.086 4.545 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.865 5.958 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.486 5.811 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.966 4.867 0.711 1.00 0.00 H new ATOM 481 N PRO A 30 19.579 4.036 -2.474 1.00 0.00 N ATOM 482 CA PRO A 30 19.336 5.456 -2.811 1.00 0.00 C ATOM 483 C PRO A 30 18.043 5.621 -3.610 1.00 0.00 C ATOM 484 O PRO A 30 17.676 6.714 -3.993 1.00 0.00 O ATOM 485 CB PRO A 30 20.560 5.842 -3.647 1.00 0.00 C ATOM 486 CG PRO A 30 21.144 4.524 -4.200 1.00 0.00 C ATOM 487 CD PRO A 30 20.667 3.409 -3.251 1.00 0.00 C ATOM 0 HA PRO A 30 19.213 6.085 -1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.280 6.513 -4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.296 6.368 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.799 4.342 -5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.233 4.565 -4.235 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.311 2.540 -3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.473 3.066 -2.602 1.00 0.00 H new ATOM 495 N ASP A 31 17.345 4.551 -3.857 1.00 0.00 N ATOM 496 CA ASP A 31 16.073 4.657 -4.620 1.00 0.00 C ATOM 497 C ASP A 31 15.436 3.270 -4.736 1.00 0.00 C ATOM 498 O ASP A 31 15.699 2.544 -5.674 1.00 0.00 O ATOM 499 CB ASP A 31 16.360 5.207 -6.018 1.00 0.00 C ATOM 500 CG ASP A 31 15.099 5.102 -6.877 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.017 5.193 -6.319 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.236 4.933 -8.077 1.00 0.00 O ATOM 0 H ASP A 31 17.600 3.608 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 31 15.390 5.330 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.682 6.246 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.175 4.649 -6.480 1.00 0.00 H new ATOM 507 N PRO A 32 14.620 2.942 -3.768 1.00 0.00 N ATOM 508 CA PRO A 32 13.928 1.643 -3.716 1.00 0.00 C ATOM 509 C PRO A 32 12.716 1.639 -4.647 1.00 0.00 C ATOM 510 O PRO A 32 12.500 2.553 -5.417 1.00 0.00 O ATOM 511 CB PRO A 32 13.466 1.542 -2.261 1.00 0.00 C ATOM 512 CG PRO A 32 13.393 2.992 -1.732 1.00 0.00 C ATOM 513 CD PRO A 32 14.311 3.836 -2.634 1.00 0.00 C ATOM 0 HA PRO A 32 14.564 0.815 -4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.494 1.053 -2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.163 0.947 -1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.369 3.365 -1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.718 3.042 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.814 4.747 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.216 4.141 -2.108 1.00 0.00 H new ATOM 521 N THR A 33 11.916 0.616 -4.560 1.00 0.00 N ATOM 522 CA THR A 33 10.701 0.535 -5.410 1.00 0.00 C ATOM 523 C THR A 33 9.566 -0.052 -4.574 1.00 0.00 C ATOM 524 O THR A 33 9.618 -1.193 -4.159 1.00 0.00 O ATOM 525 CB THR A 33 10.969 -0.368 -6.615 1.00 0.00 C ATOM 526 OG1 THR A 33 11.872 0.281 -7.500 1.00 0.00 O ATOM 527 CG2 THR A 33 9.651 -0.647 -7.339 1.00 0.00 C ATOM 0 H THR A 33 12.054 -0.174 -3.930 1.00 0.00 H new ATOM 0 HA THR A 33 10.431 1.528 -5.768 1.00 0.00 H new ATOM 0 HB THR A 33 11.406 -1.309 -6.280 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.046 -0.297 -8.272 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.837 -1.290 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.960 -1.143 -6.658 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.215 0.293 -7.677 1.00 0.00 H new ATOM 535 N ALA A 34 8.548 0.720 -4.311 1.00 0.00 N ATOM 536 CA ALA A 34 7.418 0.203 -3.489 1.00 0.00 C ATOM 537 C ALA A 34 6.232 -0.120 -4.397 1.00 0.00 C ATOM 538 O ALA A 34 5.515 0.756 -4.838 1.00 0.00 O ATOM 539 CB ALA A 34 7.006 1.260 -2.461 1.00 0.00 C ATOM 0 H ALA A 34 8.450 1.684 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 34 7.732 -0.702 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.179 0.881 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.852 1.486 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.693 2.167 -2.978 1.00 0.00 H new ATOM 545 N THR A 35 6.022 -1.376 -4.679 1.00 0.00 N ATOM 546 CA THR A 35 4.885 -1.762 -5.559 1.00 0.00 C ATOM 547 C THR A 35 3.627 -1.962 -4.711 1.00 0.00 C ATOM 548 O THR A 35 3.610 -2.743 -3.779 1.00 0.00 O ATOM 549 CB THR A 35 5.225 -3.068 -6.283 1.00 0.00 C ATOM 550 OG1 THR A 35 6.393 -2.880 -7.070 1.00 0.00 O ATOM 551 CG2 THR A 35 4.059 -3.472 -7.186 1.00 0.00 C ATOM 0 H THR A 35 6.589 -2.152 -4.338 1.00 0.00 H new ATOM 0 HA THR A 35 4.707 -0.974 -6.291 1.00 0.00 H new ATOM 0 HB THR A 35 5.402 -3.855 -5.550 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.613 -3.715 -7.533 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.302 -4.402 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.163 -3.616 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.879 -2.687 -7.921 1.00 0.00 H new ATOM 559 N TRP A 36 2.573 -1.262 -5.032 1.00 0.00 N ATOM 560 CA TRP A 36 1.312 -1.410 -4.254 1.00 0.00 C ATOM 561 C TRP A 36 0.501 -2.581 -4.833 1.00 0.00 C ATOM 562 O TRP A 36 -0.168 -2.473 -5.857 1.00 0.00 O ATOM 563 CB TRP A 36 0.520 -0.104 -4.329 1.00 0.00 C ATOM 564 CG TRP A 36 0.967 0.800 -3.216 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.742 1.903 -3.360 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.688 0.688 -1.790 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.943 2.476 -2.119 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.313 1.766 -1.120 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.041 -0.232 -1.022 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.214 1.923 0.263 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.141 -0.077 0.369 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.483 0.998 1.009 1.00 0.00 C ATOM 0 H TRP A 36 2.532 -0.593 -5.801 1.00 0.00 H new ATOM 0 HA TRP A 36 1.531 -1.622 -3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.679 0.378 -5.293 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.548 -0.305 -4.245 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.138 2.274 -4.294 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.491 3.322 -1.961 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.529 -1.066 -1.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.700 2.754 0.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.704 -0.793 0.949 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.399 1.112 2.080 1.00 0.00 H new ATOM 583 N THR A 37 0.574 -3.718 -4.196 1.00 0.00 N ATOM 584 CA THR A 37 -0.167 -4.894 -4.716 1.00 0.00 C ATOM 585 C THR A 37 -1.439 -5.123 -3.913 1.00 0.00 C ATOM 586 O THR A 37 -1.793 -4.359 -3.037 1.00 0.00 O ATOM 587 CB THR A 37 0.709 -6.149 -4.649 1.00 0.00 C ATOM 588 OG1 THR A 37 1.910 -5.851 -3.950 1.00 0.00 O ATOM 589 CG2 THR A 37 1.042 -6.619 -6.066 1.00 0.00 C ATOM 0 H THR A 37 1.112 -3.880 -3.344 1.00 0.00 H new ATOM 0 HA THR A 37 -0.432 -4.694 -5.754 1.00 0.00 H new ATOM 0 HB THR A 37 0.171 -6.939 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.746 -5.893 -2.985 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.665 -7.512 -6.016 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.120 -6.850 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.579 -5.831 -6.594 1.00 0.00 H new ATOM 597 N VAL A 38 -2.143 -6.165 -4.235 1.00 0.00 N ATOM 598 CA VAL A 38 -3.417 -6.450 -3.538 1.00 0.00 C ATOM 599 C VAL A 38 -3.508 -7.949 -3.218 1.00 0.00 C ATOM 600 O VAL A 38 -2.543 -8.678 -3.339 1.00 0.00 O ATOM 601 CB VAL A 38 -4.545 -6.017 -4.474 1.00 0.00 C ATOM 602 CG1 VAL A 38 -4.805 -7.103 -5.510 1.00 0.00 C ATOM 603 CG2 VAL A 38 -5.814 -5.749 -3.679 1.00 0.00 C ATOM 0 H VAL A 38 -1.887 -6.837 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.486 -5.910 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.247 -5.100 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.610 -6.788 -6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.900 -7.274 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.091 -8.026 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.610 -5.441 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.114 -6.657 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.629 -4.957 -2.954 1.00 0.00 H new ATOM 613 N GLY A 39 -4.655 -8.411 -2.801 1.00 0.00 N ATOM 614 CA GLY A 39 -4.806 -9.855 -2.463 1.00 0.00 C ATOM 615 C GLY A 39 -4.496 -10.716 -3.689 1.00 0.00 C ATOM 616 O GLY A 39 -3.599 -10.427 -4.454 1.00 0.00 O ATOM 0 H GLY A 39 -5.497 -7.849 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.135 -10.117 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.821 -10.052 -2.118 1.00 0.00 H new ATOM 620 N ASP A 40 -5.228 -11.781 -3.872 1.00 0.00 N ATOM 621 CA ASP A 40 -4.982 -12.673 -5.040 1.00 0.00 C ATOM 622 C ASP A 40 -3.554 -13.224 -4.976 1.00 0.00 C ATOM 623 O ASP A 40 -3.054 -13.791 -5.927 1.00 0.00 O ATOM 624 CB ASP A 40 -5.169 -11.881 -6.333 1.00 0.00 C ATOM 625 CG ASP A 40 -5.886 -12.751 -7.366 1.00 0.00 C ATOM 626 OD1 ASP A 40 -7.092 -12.896 -7.255 1.00 0.00 O ATOM 627 OD2 ASP A 40 -5.217 -13.258 -8.251 1.00 0.00 O ATOM 0 H ASP A 40 -5.990 -12.073 -3.259 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.688 -13.503 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.748 -10.978 -6.138 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.201 -11.562 -6.720 1.00 0.00 H new ATOM 632 N SER A 41 -2.897 -13.063 -3.860 1.00 0.00 N ATOM 633 CA SER A 41 -1.506 -13.578 -3.731 1.00 0.00 C ATOM 634 C SER A 41 -0.708 -13.220 -4.986 1.00 0.00 C ATOM 635 O SER A 41 -0.075 -14.063 -5.590 1.00 0.00 O ATOM 636 CB SER A 41 -1.539 -15.097 -3.563 1.00 0.00 C ATOM 637 OG SER A 41 -0.210 -15.583 -3.431 1.00 0.00 O ATOM 0 H SER A 41 -3.265 -12.596 -3.031 1.00 0.00 H new ATOM 0 HA SER A 41 -1.032 -13.126 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.126 -15.365 -2.684 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.024 -15.559 -4.423 1.00 0.00 H new ATOM 0 HG SER A 41 0.284 -15.414 -4.260 1.00 0.00 H new ATOM 643 N GLY A 42 -0.728 -11.977 -5.381 1.00 0.00 N ATOM 644 CA GLY A 42 0.035 -11.573 -6.596 1.00 0.00 C ATOM 645 C GLY A 42 -0.741 -10.502 -7.365 1.00 0.00 C ATOM 646 O GLY A 42 -0.232 -9.898 -8.289 1.00 0.00 O ATOM 0 H GLY A 42 -1.238 -11.225 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.015 -11.190 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.205 -12.440 -7.234 1.00 0.00 H new ATOM 650 N ALA A 43 -1.968 -10.257 -6.994 1.00 0.00 N ATOM 651 CA ALA A 43 -2.764 -9.228 -7.705 1.00 0.00 C ATOM 652 C ALA A 43 -2.178 -7.850 -7.401 1.00 0.00 C ATOM 653 O ALA A 43 -1.216 -7.726 -6.671 1.00 0.00 O ATOM 654 CB ALA A 43 -4.223 -9.287 -7.238 1.00 0.00 C ATOM 0 H ALA A 43 -2.450 -10.728 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.730 -9.413 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.804 -8.529 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.634 -10.273 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.269 -9.101 -6.165 1.00 0.00 H new ATOM 660 N ALA A 44 -2.743 -6.813 -7.951 1.00 0.00 N ATOM 661 CA ALA A 44 -2.205 -5.451 -7.680 1.00 0.00 C ATOM 662 C ALA A 44 -3.366 -4.479 -7.473 1.00 0.00 C ATOM 663 O ALA A 44 -4.497 -4.781 -7.796 1.00 0.00 O ATOM 664 CB ALA A 44 -1.355 -4.992 -8.867 1.00 0.00 C ATOM 0 H ALA A 44 -3.550 -6.848 -8.574 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.587 -5.474 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.961 -3.995 -8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.528 -5.687 -9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.970 -4.967 -9.767 1.00 0.00 H new ATOM 670 N LEU A 45 -3.107 -3.307 -6.951 1.00 0.00 N ATOM 671 CA LEU A 45 -4.240 -2.344 -6.759 1.00 0.00 C ATOM 672 C LEU A 45 -3.806 -0.941 -7.187 1.00 0.00 C ATOM 673 O LEU A 45 -2.652 -0.576 -7.080 1.00 0.00 O ATOM 674 CB LEU A 45 -4.739 -2.368 -5.302 1.00 0.00 C ATOM 675 CG LEU A 45 -3.754 -1.698 -4.345 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.353 -2.189 -4.622 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.816 -0.177 -4.504 1.00 0.00 C ATOM 0 H LEU A 45 -2.188 -2.979 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.077 -2.647 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.703 -1.863 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.900 -3.400 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.026 -1.956 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.656 -1.707 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.312 -3.269 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.078 -1.946 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.110 0.290 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.558 0.093 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.824 0.171 -4.280 1.00 0.00 H new ATOM 689 N ALA A 46 -4.722 -0.157 -7.699 1.00 0.00 N ATOM 690 CA ALA A 46 -4.353 1.211 -8.161 1.00 0.00 C ATOM 691 C ALA A 46 -5.448 1.796 -9.072 1.00 0.00 C ATOM 692 O ALA A 46 -5.892 2.906 -8.853 1.00 0.00 O ATOM 693 CB ALA A 46 -3.038 1.144 -8.941 1.00 0.00 C ATOM 0 H ALA A 46 -5.704 -0.406 -7.816 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.243 1.853 -7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.765 2.143 -9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.252 0.753 -8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.159 0.488 -9.803 1.00 0.00 H new ATOM 699 N PRO A 47 -5.850 1.049 -10.078 1.00 0.00 N ATOM 700 CA PRO A 47 -6.878 1.515 -11.030 1.00 0.00 C ATOM 701 C PRO A 47 -8.249 1.596 -10.356 1.00 0.00 C ATOM 702 O PRO A 47 -9.208 2.071 -10.931 1.00 0.00 O ATOM 703 CB PRO A 47 -6.837 0.476 -12.154 1.00 0.00 C ATOM 704 CG PRO A 47 -6.190 -0.790 -11.553 1.00 0.00 C ATOM 705 CD PRO A 47 -5.349 -0.318 -10.350 1.00 0.00 C ATOM 0 HA PRO A 47 -6.693 2.521 -11.406 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.840 0.262 -12.522 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.258 0.843 -13.001 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.951 -1.504 -11.239 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.565 -1.294 -12.290 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.483 -0.971 -9.488 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.284 -0.314 -10.584 1.00 0.00 H new ATOM 713 N GLU A 48 -8.336 1.177 -9.128 1.00 0.00 N ATOM 714 CA GLU A 48 -9.628 1.272 -8.396 1.00 0.00 C ATOM 715 C GLU A 48 -9.484 2.376 -7.354 1.00 0.00 C ATOM 716 O GLU A 48 -10.188 2.418 -6.364 1.00 0.00 O ATOM 717 CB GLU A 48 -9.934 -0.059 -7.704 1.00 0.00 C ATOM 718 CG GLU A 48 -10.469 -1.058 -8.732 1.00 0.00 C ATOM 719 CD GLU A 48 -11.925 -0.722 -9.062 1.00 0.00 C ATOM 720 OE1 GLU A 48 -12.244 0.454 -9.115 1.00 0.00 O ATOM 721 OE2 GLU A 48 -12.696 -1.647 -9.255 1.00 0.00 O ATOM 0 H GLU A 48 -7.566 0.771 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.444 1.496 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.033 -0.452 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.667 0.091 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.863 -1.024 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.399 -2.072 -8.339 1.00 0.00 H new ATOM 728 N LEU A 49 -8.554 3.267 -7.575 1.00 0.00 N ATOM 729 CA LEU A 49 -8.322 4.373 -6.618 1.00 0.00 C ATOM 730 C LEU A 49 -7.088 5.154 -7.064 1.00 0.00 C ATOM 731 O LEU A 49 -6.613 4.999 -8.170 1.00 0.00 O ATOM 732 CB LEU A 49 -8.092 3.791 -5.227 1.00 0.00 C ATOM 733 CG LEU A 49 -7.110 2.621 -5.311 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.721 3.076 -4.860 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.593 1.501 -4.394 1.00 0.00 C ATOM 0 H LEU A 49 -7.941 3.270 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.186 5.037 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.700 4.560 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.038 3.454 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.055 2.266 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.026 2.239 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.375 3.883 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.771 3.431 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.899 0.662 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.642 1.866 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.583 1.173 -4.710 1.00 0.00 H new ATOM 747 N LEU A 50 -6.560 5.989 -6.220 1.00 0.00 N ATOM 748 CA LEU A 50 -5.357 6.766 -6.607 1.00 0.00 C ATOM 749 C LEU A 50 -4.161 6.227 -5.819 1.00 0.00 C ATOM 750 O LEU A 50 -4.329 5.527 -4.842 1.00 0.00 O ATOM 751 CB LEU A 50 -5.601 8.235 -6.280 1.00 0.00 C ATOM 752 CG LEU A 50 -4.295 9.012 -6.367 1.00 0.00 C ATOM 753 CD1 LEU A 50 -3.803 9.005 -7.813 1.00 0.00 C ATOM 754 CD2 LEU A 50 -4.551 10.445 -5.914 1.00 0.00 C ATOM 0 H LEU A 50 -6.910 6.167 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.153 6.672 -7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.330 8.654 -6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.023 8.328 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.538 8.555 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.868 9.560 -7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.640 7.977 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.550 9.473 -8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.624 11.016 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.299 10.903 -6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.913 10.442 -4.886 1.00 0.00 H new ATOM 766 N VAL A 51 -2.955 6.516 -6.234 1.00 0.00 N ATOM 767 CA VAL A 51 -1.786 5.975 -5.486 1.00 0.00 C ATOM 768 C VAL A 51 -0.590 6.928 -5.565 1.00 0.00 C ATOM 769 O VAL A 51 -0.358 7.580 -6.564 1.00 0.00 O ATOM 770 CB VAL A 51 -1.399 4.624 -6.086 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.221 4.033 -5.309 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.594 3.675 -5.997 1.00 0.00 C ATOM 0 H VAL A 51 -2.733 7.093 -7.045 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.062 5.863 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.111 4.758 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.052 3.070 -5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.630 4.711 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.505 3.897 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.324 2.709 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.878 3.544 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.434 4.094 -6.551 1.00 0.00 H new ATOM 782 N ASP A 52 0.181 6.987 -4.511 1.00 0.00 N ATOM 783 CA ASP A 52 1.385 7.864 -4.488 1.00 0.00 C ATOM 784 C ASP A 52 2.496 7.121 -3.742 1.00 0.00 C ATOM 785 O ASP A 52 2.239 6.192 -3.001 1.00 0.00 O ATOM 786 CB ASP A 52 1.061 9.171 -3.760 1.00 0.00 C ATOM 787 CG ASP A 52 0.236 10.076 -4.677 1.00 0.00 C ATOM 788 OD1 ASP A 52 0.583 10.180 -5.842 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.729 10.649 -4.199 1.00 0.00 O ATOM 0 H ASP A 52 0.024 6.457 -3.654 1.00 0.00 H new ATOM 0 HA ASP A 52 1.700 8.100 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.508 8.962 -2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.982 9.675 -3.468 1.00 0.00 H new ATOM 794 N ALA A 53 3.729 7.494 -3.920 1.00 0.00 N ATOM 795 CA ALA A 53 4.798 6.756 -3.197 1.00 0.00 C ATOM 796 C ALA A 53 6.070 7.603 -3.086 1.00 0.00 C ATOM 797 O ALA A 53 6.128 8.726 -3.546 1.00 0.00 O ATOM 798 CB ALA A 53 5.084 5.450 -3.938 1.00 0.00 C ATOM 0 H ALA A 53 4.039 8.259 -4.519 1.00 0.00 H new ATOM 0 HA ALA A 53 4.462 6.536 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.867 4.900 -3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.178 4.846 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.411 5.672 -4.954 1.00 0.00 H new ATOM 804 N LYS A 54 7.087 7.068 -2.460 1.00 0.00 N ATOM 805 CA LYS A 54 8.360 7.831 -2.291 1.00 0.00 C ATOM 806 C LYS A 54 9.513 6.866 -1.978 1.00 0.00 C ATOM 807 O LYS A 54 9.317 5.787 -1.455 1.00 0.00 O ATOM 808 CB LYS A 54 8.206 8.828 -1.139 1.00 0.00 C ATOM 809 CG LYS A 54 7.731 10.174 -1.688 1.00 0.00 C ATOM 810 CD LYS A 54 6.438 10.587 -0.982 1.00 0.00 C ATOM 811 CE LYS A 54 6.658 11.909 -0.244 1.00 0.00 C ATOM 812 NZ LYS A 54 7.442 11.659 0.999 1.00 0.00 N ATOM 0 H LYS A 54 7.090 6.131 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 54 8.581 8.366 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.491 8.449 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.157 8.950 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.499 10.932 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.564 10.102 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.633 10.694 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.132 9.812 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.188 12.612 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.699 12.364 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.076 12.464 1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.792 11.545 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.006 10.793 0.885 1.00 0.00 H new ATOM 826 N SER A 55 10.716 7.250 -2.299 1.00 0.00 N ATOM 827 CA SER A 55 11.886 6.361 -2.037 1.00 0.00 C ATOM 828 C SER A 55 11.915 5.900 -0.573 1.00 0.00 C ATOM 829 O SER A 55 12.067 4.730 -0.291 1.00 0.00 O ATOM 830 CB SER A 55 13.174 7.122 -2.349 1.00 0.00 C ATOM 831 OG SER A 55 13.413 7.087 -3.750 1.00 0.00 O ATOM 0 H SER A 55 10.942 8.145 -2.733 1.00 0.00 H new ATOM 0 HA SER A 55 11.800 5.481 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.092 8.154 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.012 6.676 -1.814 1.00 0.00 H new ATOM 0 HG SER A 55 14.238 7.576 -3.953 1.00 0.00 H new ATOM 837 N SER A 56 11.801 6.799 0.363 1.00 0.00 N ATOM 838 CA SER A 56 11.860 6.379 1.796 1.00 0.00 C ATOM 839 C SER A 56 10.453 6.230 2.383 1.00 0.00 C ATOM 840 O SER A 56 10.275 6.220 3.586 1.00 0.00 O ATOM 841 CB SER A 56 12.631 7.429 2.596 1.00 0.00 C ATOM 842 OG SER A 56 13.982 7.458 2.154 1.00 0.00 O ATOM 0 H SER A 56 11.671 7.798 0.204 1.00 0.00 H new ATOM 0 HA SER A 56 12.363 5.414 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.173 8.410 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.589 7.195 3.660 1.00 0.00 H new ATOM 0 HG SER A 56 14.479 8.132 2.664 1.00 0.00 H new ATOM 848 N THR A 57 9.447 6.113 1.564 1.00 0.00 N ATOM 849 CA THR A 57 8.071 5.973 2.123 1.00 0.00 C ATOM 850 C THR A 57 7.073 5.859 0.984 1.00 0.00 C ATOM 851 O THR A 57 7.440 5.786 -0.162 1.00 0.00 O ATOM 852 CB THR A 57 7.739 7.225 2.943 1.00 0.00 C ATOM 853 OG1 THR A 57 6.555 7.012 3.697 1.00 0.00 O ATOM 854 CG2 THR A 57 7.524 8.403 1.994 1.00 0.00 C ATOM 0 H THR A 57 9.513 6.108 0.546 1.00 0.00 H new ATOM 0 HA THR A 57 8.019 5.084 2.751 1.00 0.00 H new ATOM 0 HB THR A 57 8.564 7.438 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.350 7.816 4.219 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.287 9.297 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.432 8.574 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.699 8.179 1.317 1.00 0.00 H new ATOM 862 N THR A 58 5.810 5.872 1.286 1.00 0.00 N ATOM 863 CA THR A 58 4.811 5.800 0.199 1.00 0.00 C ATOM 864 C THR A 58 3.410 5.943 0.779 1.00 0.00 C ATOM 865 O THR A 58 3.181 5.693 1.943 1.00 0.00 O ATOM 866 CB THR A 58 4.928 4.461 -0.536 1.00 0.00 C ATOM 867 OG1 THR A 58 4.179 4.516 -1.740 1.00 0.00 O ATOM 868 CG2 THR A 58 4.380 3.339 0.345 1.00 0.00 C ATOM 0 H THR A 58 5.431 5.929 2.231 1.00 0.00 H new ATOM 0 HA THR A 58 4.997 6.610 -0.506 1.00 0.00 H new ATOM 0 HB THR A 58 5.976 4.267 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.306 3.684 -2.242 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.465 2.388 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.951 3.293 1.272 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.332 3.535 0.574 1.00 0.00 H new ATOM 876 N SER A 59 2.471 6.334 -0.029 1.00 0.00 N ATOM 877 CA SER A 59 1.077 6.483 0.462 1.00 0.00 C ATOM 878 C SER A 59 0.159 6.455 -0.739 1.00 0.00 C ATOM 879 O SER A 59 0.483 6.963 -1.791 1.00 0.00 O ATOM 880 CB SER A 59 0.919 7.804 1.216 1.00 0.00 C ATOM 881 OG SER A 59 1.527 8.848 0.467 1.00 0.00 O ATOM 0 H SER A 59 2.609 6.558 -1.014 1.00 0.00 H new ATOM 0 HA SER A 59 0.829 5.673 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.137 8.022 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.380 7.731 2.201 1.00 0.00 H new ATOM 0 HG SER A 59 1.426 9.697 0.947 1.00 0.00 H new ATOM 887 N ILE A 60 -0.971 5.842 -0.618 1.00 0.00 N ATOM 888 CA ILE A 60 -1.849 5.769 -1.799 1.00 0.00 C ATOM 889 C ILE A 60 -3.263 6.217 -1.444 1.00 0.00 C ATOM 890 O ILE A 60 -3.656 6.254 -0.295 1.00 0.00 O ATOM 891 CB ILE A 60 -1.771 4.344 -2.365 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.636 3.377 -1.554 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.311 3.873 -2.280 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.460 1.958 -2.108 1.00 0.00 C ATOM 0 H ILE A 60 -1.320 5.396 0.230 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.520 6.455 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.131 4.355 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.350 3.408 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.683 3.674 -1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.231 2.861 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.322 4.542 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.014 3.881 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.074 1.264 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.767 1.935 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.413 1.665 -2.031 1.00 0.00 H new ATOM 906 N PHE A 61 -3.980 6.664 -2.433 1.00 0.00 N ATOM 907 CA PHE A 61 -5.328 7.244 -2.199 1.00 0.00 C ATOM 908 C PHE A 61 -6.480 6.321 -2.588 1.00 0.00 C ATOM 909 O PHE A 61 -6.352 5.462 -3.431 1.00 0.00 O ATOM 910 CB PHE A 61 -5.405 8.490 -3.061 1.00 0.00 C ATOM 911 CG PHE A 61 -5.114 9.678 -2.215 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.916 9.739 -1.509 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.038 10.713 -2.136 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.632 10.842 -0.716 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.766 11.824 -1.344 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.558 11.895 -0.628 1.00 0.00 C ATOM 0 H PHE A 61 -3.684 6.652 -3.409 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.439 7.433 -1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.689 8.426 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.395 8.579 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.207 8.927 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.965 10.655 -2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.702 10.891 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.481 12.630 -1.279 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.343 12.756 -0.013 1.00 0.00 H new ATOM 926 N PHE A 62 -7.630 6.557 -1.991 1.00 0.00 N ATOM 927 CA PHE A 62 -8.856 5.769 -2.317 1.00 0.00 C ATOM 928 C PHE A 62 -10.063 6.718 -2.380 1.00 0.00 C ATOM 929 O PHE A 62 -11.095 6.416 -1.816 1.00 0.00 O ATOM 930 CB PHE A 62 -9.177 4.754 -1.221 1.00 0.00 C ATOM 931 CG PHE A 62 -8.093 3.719 -1.053 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.792 4.099 -0.708 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.409 2.365 -1.213 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.806 3.121 -0.527 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.425 1.389 -1.035 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.123 1.766 -0.692 1.00 0.00 C ATOM 0 H PHE A 62 -7.767 7.276 -1.280 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.671 5.260 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.323 5.279 -0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.117 4.255 -1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.548 5.144 -0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.416 2.074 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.801 3.411 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.670 0.345 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.361 1.013 -0.554 1.00 0.00 H new ATOM 946 N PRO A 63 -9.921 7.825 -3.062 1.00 0.00 N ATOM 947 CA PRO A 63 -11.018 8.796 -3.203 1.00 0.00 C ATOM 948 C PRO A 63 -12.177 8.155 -3.962 1.00 0.00 C ATOM 949 O PRO A 63 -13.290 8.644 -3.968 1.00 0.00 O ATOM 950 CB PRO A 63 -10.377 9.968 -3.953 1.00 0.00 C ATOM 951 CG PRO A 63 -9.124 9.389 -4.637 1.00 0.00 C ATOM 952 CD PRO A 63 -8.686 8.206 -3.759 1.00 0.00 C ATOM 0 HA PRO A 63 -11.447 9.130 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.066 10.387 -4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.112 10.774 -3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.347 9.062 -5.653 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.335 10.138 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.293 7.385 -4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.902 8.494 -3.059 1.00 0.00 H new ATOM 960 N SER A 64 -11.916 7.037 -4.565 1.00 0.00 N ATOM 961 CA SER A 64 -12.976 6.295 -5.299 1.00 0.00 C ATOM 962 C SER A 64 -13.005 4.859 -4.767 1.00 0.00 C ATOM 963 O SER A 64 -12.712 3.921 -5.483 1.00 0.00 O ATOM 964 CB SER A 64 -12.652 6.276 -6.795 1.00 0.00 C ATOM 965 OG SER A 64 -13.790 6.712 -7.527 1.00 0.00 O ATOM 0 H SER A 64 -10.997 6.595 -4.582 1.00 0.00 H new ATOM 0 HA SER A 64 -13.943 6.777 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.801 6.925 -7.003 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.369 5.270 -7.105 1.00 0.00 H new ATOM 0 HG SER A 64 -13.586 6.703 -8.485 1.00 0.00 H new ATOM 971 N ALA A 65 -13.331 4.673 -3.510 1.00 0.00 N ATOM 972 CA ALA A 65 -13.343 3.289 -2.953 1.00 0.00 C ATOM 973 C ALA A 65 -14.777 2.814 -2.724 1.00 0.00 C ATOM 974 O ALA A 65 -15.658 3.587 -2.390 1.00 0.00 O ATOM 975 CB ALA A 65 -12.590 3.262 -1.625 1.00 0.00 C ATOM 0 H ALA A 65 -13.586 5.412 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.858 2.625 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.601 2.250 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.559 3.578 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.072 3.939 -0.920 1.00 0.00 H new ATOM 981 N LYS A 66 -15.005 1.537 -2.899 1.00 0.00 N ATOM 982 CA LYS A 66 -16.367 0.973 -2.699 1.00 0.00 C ATOM 983 C LYS A 66 -16.261 -0.517 -2.369 1.00 0.00 C ATOM 984 O LYS A 66 -15.184 -1.069 -2.288 1.00 0.00 O ATOM 985 CB LYS A 66 -17.175 1.146 -3.984 1.00 0.00 C ATOM 986 CG LYS A 66 -16.830 2.487 -4.632 1.00 0.00 C ATOM 987 CD LYS A 66 -17.579 2.620 -5.960 1.00 0.00 C ATOM 988 CE LYS A 66 -16.575 2.851 -7.090 1.00 0.00 C ATOM 989 NZ LYS A 66 -17.080 2.220 -8.342 1.00 0.00 N ATOM 0 H LYS A 66 -14.296 0.857 -3.175 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.860 1.494 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.958 0.331 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.242 1.101 -3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.102 3.306 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.755 2.556 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.160 1.718 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.284 3.449 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.425 3.920 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.607 2.428 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.397 2.377 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.202 1.198 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.994 2.643 -8.600 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.374 -1.170 -2.178 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.344 -2.624 -1.853 1.00 0.00 C ATOM 1005 C ARG A 67 -16.345 -3.335 -2.768 1.00 0.00 C ATOM 1006 O ARG A 67 -15.591 -4.186 -2.338 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.739 -3.217 -2.061 1.00 0.00 C ATOM 1008 CG ARG A 67 -18.793 -4.623 -1.459 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.084 -5.317 -1.897 1.00 0.00 C ATOM 1010 NE ARG A 67 -20.298 -6.536 -1.067 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.350 -7.283 -1.263 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.392 -6.795 -1.878 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -21.359 -8.520 -0.845 1.00 0.00 N ATOM 0 H ARG A 67 -18.306 -0.758 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.040 -2.759 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.490 -2.581 -1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.974 -3.256 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.928 -5.202 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.749 -4.566 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.929 -4.638 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.025 -5.587 -2.951 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.622 -6.787 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -22.385 -5.829 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.214 -7.379 -2.031 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -20.544 -8.902 -0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.181 -9.104 -0.998 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.337 -2.998 -4.028 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.396 -3.654 -4.973 1.00 0.00 C ATOM 1029 C ALA A 68 -13.953 -3.442 -4.506 1.00 0.00 C ATOM 1030 O ALA A 68 -13.146 -4.350 -4.521 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.572 -3.048 -6.365 1.00 0.00 C ATOM 0 H ALA A 68 -16.945 -2.293 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.608 -4.723 -5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.883 -3.527 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.596 -3.205 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.363 -1.979 -6.326 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.621 -2.248 -4.096 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.229 -1.977 -3.635 1.00 0.00 C ATOM 1039 C ASP A 69 -11.896 -2.882 -2.447 1.00 0.00 C ATOM 1040 O ASP A 69 -10.745 -3.115 -2.137 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.111 -0.513 -3.208 1.00 0.00 C ATOM 1042 CG ASP A 69 -12.320 0.392 -4.424 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -13.393 0.336 -5.002 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.404 1.127 -4.756 1.00 0.00 O ATOM 0 H ASP A 69 -14.253 -1.448 -4.060 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.532 -2.178 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.851 -0.286 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.130 -0.329 -2.769 1.00 0.00 H new ATOM 1049 N SER A 70 -12.893 -3.394 -1.781 1.00 0.00 N ATOM 1050 CA SER A 70 -12.631 -4.283 -0.614 1.00 0.00 C ATOM 1051 C SER A 70 -11.698 -5.419 -1.038 1.00 0.00 C ATOM 1052 O SER A 70 -12.106 -6.358 -1.691 1.00 0.00 O ATOM 1053 CB SER A 70 -13.951 -4.868 -0.112 1.00 0.00 C ATOM 1054 OG SER A 70 -14.901 -3.822 0.041 1.00 0.00 O ATOM 0 H SER A 70 -13.878 -3.236 -1.994 1.00 0.00 H new ATOM 0 HA SER A 70 -12.163 -3.707 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.323 -5.612 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.798 -5.377 0.839 1.00 0.00 H new ATOM 0 HG SER A 70 -15.275 -3.589 -0.834 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.447 -5.342 -0.672 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.493 -6.420 -1.057 1.00 0.00 C ATOM 1062 C GLY A 71 -8.288 -6.405 -0.114 1.00 0.00 C ATOM 1063 O GLY A 71 -8.232 -5.639 0.828 1.00 0.00 O ATOM 0 H GLY A 71 -10.046 -4.581 -0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.989 -7.390 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.163 -6.276 -2.086 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.321 -7.246 -0.362 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.119 -7.282 0.517 1.00 0.00 C ATOM 1069 C ASN A 72 -5.001 -6.461 -0.124 1.00 0.00 C ATOM 1070 O ASN A 72 -4.231 -6.958 -0.920 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.655 -8.730 0.687 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.429 -9.384 1.833 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -6.940 -8.706 2.702 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -6.539 -10.684 1.871 1.00 0.00 N ATOM 0 H ASN A 72 -7.312 -7.910 -1.136 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.367 -6.864 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.815 -9.285 -0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.585 -8.758 0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.054 -11.130 2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.110 -11.254 1.142 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.902 -5.207 0.216 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.832 -4.361 -0.378 1.00 0.00 C ATOM 1083 C TYR A 73 -2.482 -4.796 0.191 1.00 0.00 C ATOM 1084 O TYR A 73 -2.146 -4.500 1.318 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.102 -2.887 -0.047 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.151 -2.352 -1.000 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.249 -3.149 -1.350 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.016 -1.071 -1.553 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.209 -2.668 -2.245 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.977 -0.594 -2.454 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.073 -1.393 -2.799 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.020 -0.924 -3.686 1.00 0.00 O ATOM 0 H TYR A 73 -5.515 -4.732 0.879 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.819 -4.479 -1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.444 -2.789 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.183 -2.307 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.354 -4.137 -0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.172 -0.453 -1.285 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.057 -3.283 -2.508 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.872 0.392 -2.883 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.735 -0.471 -3.192 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.707 -5.509 -0.581 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.382 -5.976 -0.084 1.00 0.00 C ATOM 1104 C LYS A 74 0.719 -5.147 -0.737 1.00 0.00 C ATOM 1105 O LYS A 74 0.927 -5.209 -1.931 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.194 -7.451 -0.445 1.00 0.00 C ATOM 1107 CG LYS A 74 1.093 -7.975 0.195 1.00 0.00 C ATOM 1108 CD LYS A 74 1.114 -9.503 0.123 1.00 0.00 C ATOM 1109 CE LYS A 74 0.201 -10.078 1.208 1.00 0.00 C ATOM 1110 NZ LYS A 74 -0.614 -11.186 0.634 1.00 0.00 N ATOM 0 H LYS A 74 -1.935 -5.788 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.334 -5.860 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.048 -8.033 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.148 -7.568 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.961 -7.564 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.154 -7.648 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.782 -9.836 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.132 -9.870 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.797 -10.445 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.451 -9.298 1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.235 -11.578 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.193 -10.821 -0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.017 -11.933 0.280 1.00 0.00 H new ATOM 1124 N LEU A 75 1.424 -4.366 0.032 1.00 0.00 N ATOM 1125 CA LEU A 75 2.504 -3.530 -0.557 1.00 0.00 C ATOM 1126 C LEU A 75 3.855 -4.222 -0.358 1.00 0.00 C ATOM 1127 O LEU A 75 4.103 -4.848 0.652 1.00 0.00 O ATOM 1128 CB LEU A 75 2.502 -2.158 0.129 1.00 0.00 C ATOM 1129 CG LEU A 75 3.797 -1.404 -0.181 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.497 -0.189 -1.054 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.433 -0.940 1.129 1.00 0.00 C ATOM 0 H LEU A 75 1.299 -4.271 1.040 1.00 0.00 H new ATOM 0 HA LEU A 75 2.334 -3.399 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.645 -1.576 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.396 -2.283 1.207 1.00 0.00 H new ATOM 0 HG LEU A 75 4.480 -2.066 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.424 0.342 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.040 -0.516 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.812 0.476 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.356 -0.402 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.743 -0.281 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.654 -1.806 1.753 1.00 0.00 H new ATOM 1143 N LYS A 76 4.730 -4.110 -1.320 1.00 0.00 N ATOM 1144 CA LYS A 76 6.069 -4.752 -1.197 1.00 0.00 C ATOM 1145 C LYS A 76 7.125 -3.805 -1.769 1.00 0.00 C ATOM 1146 O LYS A 76 7.128 -3.509 -2.947 1.00 0.00 O ATOM 1147 CB LYS A 76 6.077 -6.065 -1.984 1.00 0.00 C ATOM 1148 CG LYS A 76 7.510 -6.587 -2.104 1.00 0.00 C ATOM 1149 CD LYS A 76 7.553 -7.730 -3.120 1.00 0.00 C ATOM 1150 CE LYS A 76 6.820 -8.946 -2.551 1.00 0.00 C ATOM 1151 NZ LYS A 76 7.308 -10.181 -3.228 1.00 0.00 N ATOM 0 H LYS A 76 4.574 -3.599 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 76 6.288 -4.960 -0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.452 -6.804 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.653 -5.908 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.176 -5.783 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.864 -6.935 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.089 -7.417 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.587 -7.989 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.989 -9.016 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.745 -8.838 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.810 -11.008 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.125 -10.112 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.330 -10.285 -3.066 1.00 0.00 H new ATOM 1165 N VAL A 77 8.021 -3.320 -0.951 1.00 0.00 N ATOM 1166 CA VAL A 77 9.062 -2.389 -1.472 1.00 0.00 C ATOM 1167 C VAL A 77 10.423 -3.090 -1.477 1.00 0.00 C ATOM 1168 O VAL A 77 10.649 -4.023 -0.734 1.00 0.00 O ATOM 1169 CB VAL A 77 9.105 -1.125 -0.598 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.682 -0.748 -0.180 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.941 -1.370 0.661 1.00 0.00 C ATOM 0 H VAL A 77 8.077 -3.526 0.046 1.00 0.00 H new ATOM 0 HA VAL A 77 8.818 -2.098 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 77 9.556 -0.318 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.710 0.148 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.081 -0.556 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.240 -1.567 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.960 -0.464 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.501 -2.183 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.959 -1.637 0.376 1.00 0.00 H new ATOM 1181 N LYS A 78 11.330 -2.664 -2.319 1.00 0.00 N ATOM 1182 CA LYS A 78 12.664 -3.334 -2.361 1.00 0.00 C ATOM 1183 C LYS A 78 13.708 -2.423 -3.018 1.00 0.00 C ATOM 1184 O LYS A 78 13.418 -1.694 -3.947 1.00 0.00 O ATOM 1185 CB LYS A 78 12.545 -4.633 -3.164 1.00 0.00 C ATOM 1186 CG LYS A 78 13.938 -5.203 -3.440 1.00 0.00 C ATOM 1187 CD LYS A 78 14.211 -5.172 -4.945 1.00 0.00 C ATOM 1188 CE LYS A 78 15.477 -4.359 -5.220 1.00 0.00 C ATOM 1189 NZ LYS A 78 15.991 -4.685 -6.581 1.00 0.00 N ATOM 0 H LYS A 78 11.207 -1.890 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 78 12.984 -3.549 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.948 -5.359 -2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.027 -4.444 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.692 -4.621 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.005 -6.225 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.329 -6.187 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.363 -4.732 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.261 -3.293 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.236 -4.582 -4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.988 -4.975 -6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.430 -5.461 -6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.914 -3.846 -7.191 1.00 0.00 H new ATOM 1203 N ASN A 79 14.928 -2.473 -2.544 1.00 0.00 N ATOM 1204 CA ASN A 79 16.006 -1.628 -3.138 1.00 0.00 C ATOM 1205 C ASN A 79 17.285 -2.458 -3.280 1.00 0.00 C ATOM 1206 O ASN A 79 17.557 -3.338 -2.486 1.00 0.00 O ATOM 1207 CB ASN A 79 16.295 -0.422 -2.237 1.00 0.00 C ATOM 1208 CG ASN A 79 15.962 -0.756 -0.782 1.00 0.00 C ATOM 1209 OD1 ASN A 79 14.877 -1.212 -0.480 1.00 0.00 O ATOM 1210 ND2 ASN A 79 16.859 -0.539 0.140 1.00 0.00 N ATOM 0 H ASN A 79 15.223 -3.065 -1.768 1.00 0.00 H new ATOM 0 HA ASN A 79 15.676 -1.276 -4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 79 17.344 -0.139 -2.322 1.00 0.00 H new ATOM 0 HB3 ASN A 79 15.706 0.435 -2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 79 16.650 -0.752 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 79 17.770 -0.156 -0.114 1.00 0.00 H new ATOM 1217 N GLU A 80 18.075 -2.174 -4.281 1.00 0.00 N ATOM 1218 CA GLU A 80 19.345 -2.929 -4.486 1.00 0.00 C ATOM 1219 C GLU A 80 19.132 -4.416 -4.180 1.00 0.00 C ATOM 1220 O GLU A 80 18.678 -5.169 -5.018 1.00 0.00 O ATOM 1221 CB GLU A 80 20.424 -2.357 -3.566 1.00 0.00 C ATOM 1222 CG GLU A 80 21.275 -1.350 -4.341 1.00 0.00 C ATOM 1223 CD GLU A 80 21.956 -0.395 -3.360 1.00 0.00 C ATOM 1224 OE1 GLU A 80 22.863 -0.833 -2.671 1.00 0.00 O ATOM 1225 OE2 GLU A 80 21.560 0.758 -3.314 1.00 0.00 O ATOM 0 H GLU A 80 17.893 -1.445 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 80 19.660 -2.830 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 80 19.963 -1.873 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.052 -3.160 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.024 -1.873 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.651 -0.789 -5.037 1.00 0.00 H new ATOM 1232 N LEU A 81 19.458 -4.849 -2.989 1.00 0.00 N ATOM 1233 CA LEU A 81 19.273 -6.289 -2.648 1.00 0.00 C ATOM 1234 C LEU A 81 18.415 -6.417 -1.388 1.00 0.00 C ATOM 1235 O LEU A 81 17.987 -7.494 -1.024 1.00 0.00 O ATOM 1236 CB LEU A 81 20.638 -6.938 -2.405 1.00 0.00 C ATOM 1237 CG LEU A 81 21.462 -6.061 -1.462 1.00 0.00 C ATOM 1238 CD1 LEU A 81 20.870 -6.128 -0.053 1.00 0.00 C ATOM 1239 CD2 LEU A 81 22.907 -6.566 -1.431 1.00 0.00 C ATOM 0 H LEU A 81 19.842 -4.270 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 81 18.773 -6.792 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.508 -7.931 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.164 -7.067 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 81 21.443 -5.030 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 81 21.458 -5.503 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.840 -5.771 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.889 -7.159 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.496 -5.942 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 81 22.925 -7.597 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 81 23.330 -6.519 -2.434 1.00 0.00 H new ATOM 1251 N GLY A 82 18.153 -5.327 -0.725 1.00 0.00 N ATOM 1252 CA GLY A 82 17.314 -5.389 0.506 1.00 0.00 C ATOM 1253 C GLY A 82 15.844 -5.286 0.106 1.00 0.00 C ATOM 1254 O GLY A 82 15.526 -4.938 -1.014 1.00 0.00 O ATOM 0 H GLY A 82 18.482 -4.396 -0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.495 -6.322 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.578 -4.577 1.184 1.00 0.00 H new ATOM 1258 N GLU A 83 14.939 -5.584 0.997 1.00 0.00 N ATOM 1259 CA GLU A 83 13.501 -5.493 0.625 1.00 0.00 C ATOM 1260 C GLU A 83 12.614 -5.587 1.866 1.00 0.00 C ATOM 1261 O GLU A 83 12.854 -6.367 2.765 1.00 0.00 O ATOM 1262 CB GLU A 83 13.150 -6.631 -0.333 1.00 0.00 C ATOM 1263 CG GLU A 83 13.526 -7.970 0.304 1.00 0.00 C ATOM 1264 CD GLU A 83 12.768 -9.099 -0.396 1.00 0.00 C ATOM 1265 OE1 GLU A 83 11.563 -8.972 -0.546 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.404 -10.070 -0.771 1.00 0.00 O ATOM 0 H GLU A 83 15.130 -5.883 1.954 1.00 0.00 H new ATOM 0 HA GLU A 83 13.328 -4.531 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.085 -6.612 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.681 -6.503 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.600 -8.134 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.284 -7.960 1.367 1.00 0.00 H new ATOM 1273 N ASP A 84 11.576 -4.797 1.902 1.00 0.00 N ATOM 1274 CA ASP A 84 10.640 -4.825 3.059 1.00 0.00 C ATOM 1275 C ASP A 84 9.212 -4.966 2.526 1.00 0.00 C ATOM 1276 O ASP A 84 8.970 -4.839 1.340 1.00 0.00 O ATOM 1277 CB ASP A 84 10.769 -3.526 3.854 1.00 0.00 C ATOM 1278 CG ASP A 84 10.949 -3.854 5.337 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.095 -4.534 5.881 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.939 -3.421 5.903 1.00 0.00 O ATOM 0 H ASP A 84 11.335 -4.127 1.171 1.00 0.00 H new ATOM 0 HA ASP A 84 10.877 -5.664 3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.619 -2.948 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.881 -2.910 3.712 1.00 0.00 H new ATOM 1285 N GLU A 85 8.262 -5.233 3.379 1.00 0.00 N ATOM 1286 CA GLU A 85 6.864 -5.389 2.891 1.00 0.00 C ATOM 1287 C GLU A 85 5.873 -4.968 3.976 1.00 0.00 C ATOM 1288 O GLU A 85 6.151 -5.045 5.156 1.00 0.00 O ATOM 1289 CB GLU A 85 6.618 -6.854 2.526 1.00 0.00 C ATOM 1290 CG GLU A 85 6.960 -7.082 1.053 1.00 0.00 C ATOM 1291 CD GLU A 85 7.189 -8.574 0.809 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.297 -9.348 1.116 1.00 0.00 O ATOM 1293 OE2 GLU A 85 8.252 -8.918 0.319 1.00 0.00 O ATOM 0 H GLU A 85 8.392 -5.349 4.384 1.00 0.00 H new ATOM 0 HA GLU A 85 6.722 -4.756 2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.227 -7.503 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.576 -7.115 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.150 -6.719 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.853 -6.517 0.784 1.00 0.00 H new ATOM 1300 N ALA A 86 4.710 -4.532 3.576 1.00 0.00 N ATOM 1301 CA ALA A 86 3.680 -4.112 4.562 1.00 0.00 C ATOM 1302 C ALA A 86 2.310 -4.610 4.092 1.00 0.00 C ATOM 1303 O ALA A 86 1.874 -4.321 2.992 1.00 0.00 O ATOM 1304 CB ALA A 86 3.667 -2.587 4.670 1.00 0.00 C ATOM 0 H ALA A 86 4.429 -4.449 2.599 1.00 0.00 H new ATOM 0 HA ALA A 86 3.908 -4.536 5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.911 -2.280 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.646 -2.237 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.434 -2.155 3.697 1.00 0.00 H new ATOM 1310 N ILE A 87 1.633 -5.366 4.913 1.00 0.00 N ATOM 1311 CA ILE A 87 0.298 -5.894 4.513 1.00 0.00 C ATOM 1312 C ILE A 87 -0.785 -4.857 4.820 1.00 0.00 C ATOM 1313 O ILE A 87 -0.738 -4.171 5.822 1.00 0.00 O ATOM 1314 CB ILE A 87 0.005 -7.177 5.293 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.436 -7.618 5.021 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.184 -6.916 6.791 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -1.819 -8.742 5.986 1.00 0.00 C ATOM 0 H ILE A 87 1.947 -5.641 5.844 1.00 0.00 H new ATOM 0 HA ILE A 87 0.302 -6.105 3.444 1.00 0.00 H new ATOM 0 HB ILE A 87 0.693 -7.961 4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.115 -6.774 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.534 -7.960 3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.025 -7.830 7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.209 -6.599 6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.504 -6.133 7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.845 -9.055 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.148 -9.589 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.737 -8.384 7.012 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.767 -4.749 3.968 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.863 -3.769 4.210 1.00 0.00 C ATOM 1331 C PHE A 88 -4.195 -4.392 3.790 1.00 0.00 C ATOM 1332 O PHE A 88 -4.605 -4.289 2.652 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.626 -2.499 3.384 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.302 -1.878 3.754 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.123 -2.327 3.148 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -1.254 -0.843 4.696 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.104 -1.743 3.485 1.00 0.00 C ATOM 1338 CE2 PHE A 88 -0.027 -0.260 5.033 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.151 -0.710 4.428 1.00 0.00 C ATOM 0 H PHE A 88 -1.858 -5.298 3.113 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.884 -3.512 5.269 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.639 -2.740 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.432 -1.786 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.160 -3.124 2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.164 -0.495 5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.014 -2.090 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.010 0.537 5.760 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.098 -0.260 4.689 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.885 -5.025 4.697 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.192 -5.636 4.332 1.00 0.00 C ATOM 1351 C GLU A 89 -7.233 -4.523 4.278 1.00 0.00 C ATOM 1352 O GLU A 89 -7.654 -4.003 5.292 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.593 -6.669 5.388 1.00 0.00 C ATOM 1354 CG GLU A 89 -5.394 -7.560 5.712 1.00 0.00 C ATOM 1355 CD GLU A 89 -5.868 -8.790 6.490 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -6.755 -9.470 6.001 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -5.335 -9.031 7.561 1.00 0.00 O ATOM 0 H GLU A 89 -4.602 -5.145 5.670 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.121 -6.136 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.940 -6.166 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.422 -7.275 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.897 -7.868 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.663 -7.005 6.299 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.628 -4.128 3.100 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.611 -3.021 2.987 1.00 0.00 C ATOM 1366 C VAL A 90 -10.022 -3.565 2.788 1.00 0.00 C ATOM 1367 O VAL A 90 -10.282 -4.350 1.898 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.230 -2.140 1.799 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.910 -0.780 1.930 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.713 -1.952 1.780 1.00 0.00 C ATOM 0 H VAL A 90 -7.312 -4.524 2.215 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.596 -2.439 3.909 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.553 -2.616 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.637 -0.153 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.992 -0.914 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.588 -0.300 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.435 -1.324 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.394 -1.475 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.227 -2.923 1.686 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.940 -3.132 3.607 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.344 -3.596 3.467 1.00 0.00 C ATOM 1382 C ILE A 91 -13.222 -2.394 3.120 1.00 0.00 C ATOM 1383 O ILE A 91 -12.756 -1.273 3.074 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.817 -4.220 4.779 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.739 -5.167 5.312 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.104 -5.004 4.527 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.610 -6.372 4.379 1.00 0.00 C ATOM 0 H ILE A 91 -10.775 -2.474 4.369 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.411 -4.346 2.679 1.00 0.00 H new ATOM 0 HB ILE A 91 -13.003 -3.435 5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.785 -4.645 5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.997 -5.499 6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.446 -5.452 5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.871 -4.331 4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.914 -5.790 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.842 -7.046 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.563 -6.898 4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.332 -6.032 3.381 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.481 -2.609 2.864 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.361 -1.463 2.510 1.00 0.00 C ATOM 1401 C VAL A 92 -16.773 -1.706 3.040 1.00 0.00 C ATOM 1402 O VAL A 92 -17.337 -2.769 2.875 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.394 -1.321 0.991 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.960 0.049 0.612 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.969 -1.456 0.453 1.00 0.00 C ATOM 0 H VAL A 92 -14.936 -3.522 2.884 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.973 -0.548 2.959 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.028 -2.097 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.982 0.146 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.972 0.146 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.330 0.832 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.979 -1.356 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.342 -0.675 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.569 -2.433 0.724 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.348 -0.723 3.678 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.726 -0.892 4.221 1.00 0.00 C ATOM 1417 C GLN A 93 -19.694 0.005 3.446 1.00 0.00 C ATOM 1418 O GLN A 93 -20.408 -0.516 2.605 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.743 -0.502 5.701 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.376 -1.630 6.519 1.00 0.00 C ATOM 1421 CD GLN A 93 -20.106 -1.038 7.726 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -19.868 -1.435 8.849 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -20.992 -0.099 7.541 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.704 1.197 3.706 1.00 0.00 O ATOM 0 H GLN A 93 -16.924 0.189 3.847 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.032 -1.933 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.728 -0.311 6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.306 0.421 5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.073 -2.195 5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -18.607 -2.328 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -21.192 0.235 6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -21.485 0.302 8.339 1.00 0.00 H new TER 1433 GLN A 93