USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=27 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 Set 1.1: A 17 HIS : no HD1:sc= -1.91! X(o=-1.9!,f=-1.6) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.867 K(o=-0.15,f=-5.1!) USER MOD Set 2.2: A 62 CYS SG : rot 110:sc= -1.01 USER MOD Set 3.1: A 30 CYS SG : rot -163:sc= -0.944 USER MOD Set 3.2: A 79 CYS SG : rot -104:sc= -0.939 USER MOD Set 4.1: A 25 THR OG1 : rot -90:sc= 1.33 USER MOD Set 4.2: A 67 CYS SG : rot -170:sc= -2.47 USER MOD Set 5.1: A 10 HIS : no HE2:sc= -8.3! C(o=-8.5!,f=-6.7!) USER MOD Set 5.2: A 33 SER OG : rot -170:sc= -0.21 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.235 USER MOD Single : A 18 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.4!) USER MOD Single : A 20 SER OG : rot -170:sc= 0 USER MOD Single : A 27 THR OG1 : rot -17:sc= 0.72 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0516) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.063) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0366 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00387 USER MOD Single : A 81 CYS SG : rot 20:sc= -0.312 USER MOD Single : A 86 THR OG1 : rot -130:sc= -0.374 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= -0.0525 (180deg=-0.456) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.192 28.257 -3.343 1.00 0.00 N ATOM 2 CA GLY A 1 15.751 28.264 -3.172 1.00 0.00 C ATOM 3 C GLY A 1 15.129 26.908 -3.438 1.00 0.00 C ATOM 4 O GLY A 1 15.407 26.279 -4.459 1.00 0.00 O ATOM 0 H1 GLY A 1 17.569 29.207 -3.150 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.617 27.575 -2.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.424 27.984 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.510 28.578 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.312 29.000 -3.845 1.00 0.00 H new ATOM 8 N SER A 2 14.285 26.455 -2.517 1.00 0.00 N ATOM 9 CA SER A 2 13.626 25.161 -2.654 1.00 0.00 C ATOM 10 C SER A 2 12.182 25.333 -3.116 1.00 0.00 C ATOM 11 O SER A 2 11.485 26.252 -2.684 1.00 0.00 O ATOM 12 CB SER A 2 13.661 24.404 -1.325 1.00 0.00 C ATOM 13 OG SER A 2 14.993 24.227 -0.874 1.00 0.00 O ATOM 0 H SER A 2 14.041 26.965 -1.668 1.00 0.00 H new ATOM 0 HA SER A 2 14.164 24.585 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.090 24.952 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.182 23.432 -1.444 1.00 0.00 H new ATOM 0 HG SER A 2 14.988 23.742 -0.022 1.00 0.00 H new ATOM 19 N SER A 3 11.739 24.443 -3.998 1.00 0.00 N ATOM 20 CA SER A 3 10.380 24.497 -4.523 1.00 0.00 C ATOM 21 C SER A 3 9.412 23.763 -3.600 1.00 0.00 C ATOM 22 O SER A 3 9.465 22.541 -3.472 1.00 0.00 O ATOM 23 CB SER A 3 10.327 23.887 -5.925 1.00 0.00 C ATOM 24 OG SER A 3 9.009 23.916 -6.444 1.00 0.00 O ATOM 0 H SER A 3 12.302 23.675 -4.364 1.00 0.00 H new ATOM 0 HA SER A 3 10.080 25.543 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.995 24.436 -6.589 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.685 22.858 -5.891 1.00 0.00 H new ATOM 0 HG SER A 3 9.002 23.522 -7.341 1.00 0.00 H new ATOM 30 N GLY A 4 8.526 24.520 -2.959 1.00 0.00 N ATOM 31 CA GLY A 4 7.558 23.926 -2.056 1.00 0.00 C ATOM 32 C GLY A 4 6.669 24.961 -1.395 1.00 0.00 C ATOM 33 O GLY A 4 6.761 25.188 -0.189 1.00 0.00 O ATOM 0 H GLY A 4 8.462 25.534 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.939 23.218 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.083 23.359 -1.287 1.00 0.00 H new ATOM 37 N SER A 5 5.808 25.591 -2.188 1.00 0.00 N ATOM 38 CA SER A 5 4.903 26.612 -1.674 1.00 0.00 C ATOM 39 C SER A 5 3.450 26.167 -1.807 1.00 0.00 C ATOM 40 O SER A 5 3.074 25.522 -2.786 1.00 0.00 O ATOM 41 CB SER A 5 5.114 27.932 -2.418 1.00 0.00 C ATOM 42 OG SER A 5 4.326 28.967 -1.855 1.00 0.00 O ATOM 0 H SER A 5 5.718 25.412 -3.188 1.00 0.00 H new ATOM 0 HA SER A 5 5.124 26.759 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.167 28.211 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.856 27.806 -3.470 1.00 0.00 H new ATOM 0 HG SER A 5 4.480 29.800 -2.347 1.00 0.00 H new ATOM 48 N SER A 6 2.637 26.516 -0.815 1.00 0.00 N ATOM 49 CA SER A 6 1.225 26.150 -0.819 1.00 0.00 C ATOM 50 C SER A 6 1.035 24.725 -1.328 1.00 0.00 C ATOM 51 O SER A 6 0.075 24.430 -2.039 1.00 0.00 O ATOM 52 CB SER A 6 0.426 27.125 -1.686 1.00 0.00 C ATOM 53 OG SER A 6 0.924 27.154 -3.012 1.00 0.00 O ATOM 0 H SER A 6 2.932 27.052 0.002 1.00 0.00 H new ATOM 0 HA SER A 6 0.858 26.203 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.624 26.832 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.475 28.125 -1.254 1.00 0.00 H new ATOM 0 HG SER A 6 0.396 27.783 -3.546 1.00 0.00 H new ATOM 59 N GLY A 7 1.959 23.842 -0.959 1.00 0.00 N ATOM 60 CA GLY A 7 1.876 22.458 -1.387 1.00 0.00 C ATOM 61 C GLY A 7 1.738 21.498 -0.223 1.00 0.00 C ATOM 62 O GLY A 7 2.238 21.744 0.875 1.00 0.00 O ATOM 0 H GLY A 7 2.763 24.061 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.023 22.338 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.768 22.204 -1.959 1.00 0.00 H new ATOM 66 N PRO A 8 1.042 20.375 -0.456 1.00 0.00 N ATOM 67 CA PRO A 8 0.822 19.353 0.572 1.00 0.00 C ATOM 68 C PRO A 8 2.101 18.603 0.927 1.00 0.00 C ATOM 69 O PRO A 8 3.163 18.866 0.362 1.00 0.00 O ATOM 70 CB PRO A 8 -0.189 18.406 -0.081 1.00 0.00 C ATOM 71 CG PRO A 8 0.021 18.580 -1.546 1.00 0.00 C ATOM 72 CD PRO A 8 0.417 20.017 -1.740 1.00 0.00 C ATOM 0 HA PRO A 8 0.477 19.787 1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.018 17.373 0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.210 18.658 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.798 17.908 -1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.888 18.347 -2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.112 20.133 -2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.447 20.646 -1.956 1.00 0.00 H new ATOM 80 N ALA A 9 1.993 17.669 1.866 1.00 0.00 N ATOM 81 CA ALA A 9 3.141 16.880 2.294 1.00 0.00 C ATOM 82 C ALA A 9 3.715 16.072 1.135 1.00 0.00 C ATOM 83 O ALA A 9 3.026 15.240 0.544 1.00 0.00 O ATOM 84 CB ALA A 9 2.750 15.958 3.440 1.00 0.00 C ATOM 0 H ALA A 9 1.122 17.440 2.345 1.00 0.00 H new ATOM 0 HA ALA A 9 3.913 17.567 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.617 15.375 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.394 16.553 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.958 15.285 3.111 1.00 0.00 H new ATOM 90 N HIS A 10 4.981 16.323 0.814 1.00 0.00 N ATOM 91 CA HIS A 10 5.647 15.618 -0.275 1.00 0.00 C ATOM 92 C HIS A 10 6.156 14.257 0.189 1.00 0.00 C ATOM 93 O HIS A 10 6.599 14.104 1.328 1.00 0.00 O ATOM 94 CB HIS A 10 6.809 16.453 -0.816 1.00 0.00 C ATOM 95 CG HIS A 10 7.928 16.626 0.164 1.00 0.00 C ATOM 96 ND1 HIS A 10 8.180 17.815 0.817 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.864 15.753 0.602 1.00 0.00 C ATOM 98 CE1 HIS A 10 9.223 17.665 1.613 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.657 16.422 1.502 1.00 0.00 N ATOM 0 H HIS A 10 5.565 17.009 1.292 1.00 0.00 H new ATOM 0 HA HIS A 10 4.920 15.461 -1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.197 15.980 -1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.436 17.435 -1.106 1.00 0.00 H new ATOM 0 HD1 HIS A 10 7.644 18.675 0.703 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.968 14.721 0.300 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.649 18.429 2.247 1.00 0.00 H new ATOM 108 N PHE A 11 6.090 13.271 -0.700 1.00 0.00 N ATOM 109 CA PHE A 11 6.542 11.922 -0.380 1.00 0.00 C ATOM 110 C PHE A 11 8.061 11.877 -0.241 1.00 0.00 C ATOM 111 O PHE A 11 8.790 12.024 -1.222 1.00 0.00 O ATOM 112 CB PHE A 11 6.089 10.940 -1.462 1.00 0.00 C ATOM 113 CG PHE A 11 4.652 10.524 -1.330 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.263 9.631 -0.344 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.689 11.026 -2.191 1.00 0.00 C ATOM 116 CE1 PHE A 11 2.941 9.246 -0.219 1.00 0.00 C ATOM 117 CE2 PHE A 11 2.366 10.645 -2.071 1.00 0.00 C ATOM 118 CZ PHE A 11 1.992 9.753 -1.084 1.00 0.00 C ATOM 0 H PHE A 11 5.728 13.381 -1.647 1.00 0.00 H new ATOM 0 HA PHE A 11 6.098 11.633 0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.239 11.396 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.721 10.053 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.002 9.231 0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.976 11.723 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.651 8.550 0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.625 11.044 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.959 9.453 -0.989 1.00 0.00 H new ATOM 128 N ILE A 12 8.531 11.673 0.985 1.00 0.00 N ATOM 129 CA ILE A 12 9.962 11.608 1.254 1.00 0.00 C ATOM 130 C ILE A 12 10.454 10.164 1.265 1.00 0.00 C ATOM 131 O ILE A 12 11.613 9.890 0.958 1.00 0.00 O ATOM 132 CB ILE A 12 10.313 12.268 2.600 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.461 11.672 3.723 1.00 0.00 C ATOM 134 CG2 ILE A 12 10.114 13.774 2.519 1.00 0.00 C ATOM 135 CD1 ILE A 12 9.806 12.210 5.094 1.00 0.00 C ATOM 0 H ILE A 12 7.941 11.550 1.808 1.00 0.00 H new ATOM 0 HA ILE A 12 10.459 12.153 0.451 1.00 0.00 H new ATOM 0 HB ILE A 12 11.362 12.071 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.410 11.873 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.584 10.589 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.366 14.226 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.760 14.185 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.073 13.991 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.163 11.744 5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.848 11.985 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.656 13.290 5.110 1.00 0.00 H new ATOM 147 N GLY A 13 9.562 9.243 1.619 1.00 0.00 N ATOM 148 CA GLY A 13 9.924 7.839 1.661 1.00 0.00 C ATOM 149 C GLY A 13 9.077 6.993 0.731 1.00 0.00 C ATOM 150 O GLY A 13 8.344 6.111 1.178 1.00 0.00 O ATOM 0 H GLY A 13 8.596 9.445 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.974 7.730 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.817 7.470 2.681 1.00 0.00 H new ATOM 154 N ARG A 14 9.175 7.264 -0.566 1.00 0.00 N ATOM 155 CA ARG A 14 8.409 6.524 -1.561 1.00 0.00 C ATOM 156 C ARG A 14 8.272 5.057 -1.162 1.00 0.00 C ATOM 157 O ARG A 14 9.160 4.492 -0.523 1.00 0.00 O ATOM 158 CB ARG A 14 9.078 6.629 -2.933 1.00 0.00 C ATOM 159 CG ARG A 14 8.926 7.995 -3.582 1.00 0.00 C ATOM 160 CD ARG A 14 8.927 7.894 -5.099 1.00 0.00 C ATOM 161 NE ARG A 14 10.281 7.864 -5.645 1.00 0.00 N ATOM 162 CZ ARG A 14 10.549 7.762 -6.942 1.00 0.00 C ATOM 163 NH1 ARG A 14 9.561 7.682 -7.822 1.00 0.00 N ATOM 164 NH2 ARG A 14 11.808 7.741 -7.361 1.00 0.00 N ATOM 0 H ARG A 14 9.777 7.991 -0.952 1.00 0.00 H new ATOM 0 HA ARG A 14 7.413 6.963 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.139 6.402 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.653 5.873 -3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.997 8.457 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.739 8.645 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.394 6.993 -5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.386 8.742 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 14 11.064 7.925 -4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.592 7.699 -7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.770 7.604 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.571 7.803 -6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.013 7.663 -8.357 1.00 0.00 H new ATOM 178 N LEU A 15 7.155 4.448 -1.542 1.00 0.00 N ATOM 179 CA LEU A 15 6.901 3.047 -1.223 1.00 0.00 C ATOM 180 C LEU A 15 8.072 2.170 -1.654 1.00 0.00 C ATOM 181 O LEU A 15 9.088 2.668 -2.138 1.00 0.00 O ATOM 182 CB LEU A 15 5.616 2.574 -1.904 1.00 0.00 C ATOM 183 CG LEU A 15 4.314 3.173 -1.371 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.231 3.130 -2.438 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.861 2.436 -0.119 1.00 0.00 C ATOM 0 H LEU A 15 6.410 4.902 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 15 6.785 2.960 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.688 2.800 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.558 1.489 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 15 4.496 4.215 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.312 3.560 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.554 3.703 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.050 2.096 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.933 2.876 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.696 1.385 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.629 2.519 0.650 1.00 0.00 H new ATOM 197 N ARG A 16 7.921 0.861 -1.476 1.00 0.00 N ATOM 198 CA ARG A 16 8.965 -0.086 -1.848 1.00 0.00 C ATOM 199 C ARG A 16 8.360 -1.408 -2.310 1.00 0.00 C ATOM 200 O ARG A 16 7.624 -2.060 -1.567 1.00 0.00 O ATOM 201 CB ARG A 16 9.907 -0.328 -0.667 1.00 0.00 C ATOM 202 CG ARG A 16 9.227 -0.968 0.533 1.00 0.00 C ATOM 203 CD ARG A 16 10.070 -0.827 1.791 1.00 0.00 C ATOM 204 NE ARG A 16 9.722 -1.826 2.797 1.00 0.00 N ATOM 205 CZ ARG A 16 10.120 -3.092 2.745 1.00 0.00 C ATOM 206 NH1 ARG A 16 10.877 -3.512 1.740 1.00 0.00 N ATOM 207 NH2 ARG A 16 9.762 -3.942 3.699 1.00 0.00 N ATOM 0 H ARG A 16 7.086 0.433 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 16 9.532 0.342 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.728 -0.967 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.345 0.622 -0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.254 -0.504 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.047 -2.024 0.331 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.125 -0.924 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.934 0.171 2.209 1.00 0.00 H new ATOM 0 HE ARG A 16 9.141 -1.536 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.155 -2.862 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.181 -4.485 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.180 -3.623 4.474 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.069 -4.914 3.657 1.00 0.00 H new ATOM 221 N HIS A 17 8.675 -1.799 -3.541 1.00 0.00 N ATOM 222 CA HIS A 17 8.162 -3.044 -4.102 1.00 0.00 C ATOM 223 C HIS A 17 8.237 -4.173 -3.078 1.00 0.00 C ATOM 224 O HIS A 17 9.313 -4.501 -2.580 1.00 0.00 O ATOM 225 CB HIS A 17 8.950 -3.425 -5.356 1.00 0.00 C ATOM 226 CG HIS A 17 8.993 -4.900 -5.611 1.00 0.00 C ATOM 227 ND1 HIS A 17 8.250 -5.516 -6.597 1.00 0.00 N ATOM 228 CD2 HIS A 17 9.697 -5.884 -5.004 1.00 0.00 C ATOM 229 CE1 HIS A 17 8.494 -6.814 -6.583 1.00 0.00 C ATOM 230 NE2 HIS A 17 9.369 -7.063 -5.626 1.00 0.00 N ATOM 0 H HIS A 17 9.282 -1.272 -4.169 1.00 0.00 H new ATOM 0 HA HIS A 17 7.117 -2.889 -4.371 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.506 -2.928 -6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.969 -3.051 -5.262 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.388 -5.764 -4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.053 -7.547 -7.242 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.741 -7.982 -5.388 1.00 0.00 H new ATOM 239 N GLN A 18 7.086 -4.761 -2.769 1.00 0.00 N ATOM 240 CA GLN A 18 7.021 -5.852 -1.803 1.00 0.00 C ATOM 241 C GLN A 18 6.395 -7.095 -2.426 1.00 0.00 C ATOM 242 O GLN A 18 5.548 -6.995 -3.314 1.00 0.00 O ATOM 243 CB GLN A 18 6.220 -5.425 -0.572 1.00 0.00 C ATOM 244 CG GLN A 18 4.729 -5.694 -0.694 1.00 0.00 C ATOM 245 CD GLN A 18 3.969 -5.353 0.573 1.00 0.00 C ATOM 246 OE1 GLN A 18 3.062 -6.079 0.982 1.00 0.00 O ATOM 247 NE2 GLN A 18 4.335 -4.243 1.203 1.00 0.00 N ATOM 0 H GLN A 18 6.186 -4.501 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 18 8.039 -6.095 -1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.605 -5.950 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.376 -4.360 -0.399 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.325 -5.113 -1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.572 -6.745 -0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.092 -3.670 0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.859 -3.963 2.061 1.00 0.00 H new ATOM 256 N GLU A 19 6.817 -8.264 -1.955 1.00 0.00 N ATOM 257 CA GLU A 19 6.297 -9.526 -2.468 1.00 0.00 C ATOM 258 C GLU A 19 5.492 -10.258 -1.398 1.00 0.00 C ATOM 259 O GLU A 19 5.969 -10.470 -0.284 1.00 0.00 O ATOM 260 CB GLU A 19 7.443 -10.415 -2.956 1.00 0.00 C ATOM 261 CG GLU A 19 7.072 -11.884 -3.061 1.00 0.00 C ATOM 262 CD GLU A 19 7.354 -12.650 -1.783 1.00 0.00 C ATOM 263 OE1 GLU A 19 8.341 -12.314 -1.095 1.00 0.00 O ATOM 264 OE2 GLU A 19 6.588 -13.585 -1.470 1.00 0.00 O ATOM 0 H GLU A 19 7.517 -8.363 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 19 5.637 -9.303 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.775 -10.062 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.288 -10.310 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.013 -11.971 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.628 -12.337 -3.882 1.00 0.00 H new ATOM 271 N SER A 20 4.267 -10.641 -1.746 1.00 0.00 N ATOM 272 CA SER A 20 3.393 -11.345 -0.815 1.00 0.00 C ATOM 273 C SER A 20 2.965 -12.693 -1.386 1.00 0.00 C ATOM 274 O SER A 20 3.414 -13.096 -2.460 1.00 0.00 O ATOM 275 CB SER A 20 2.160 -10.497 -0.500 1.00 0.00 C ATOM 276 OG SER A 20 1.493 -10.105 -1.688 1.00 0.00 O ATOM 0 H SER A 20 3.858 -10.475 -2.666 1.00 0.00 H new ATOM 0 HA SER A 20 3.949 -11.520 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.478 -11.063 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.457 -9.612 0.063 1.00 0.00 H new ATOM 0 HG SER A 20 0.807 -9.439 -1.473 1.00 0.00 H new ATOM 282 N ILE A 21 2.094 -13.386 -0.661 1.00 0.00 N ATOM 283 CA ILE A 21 1.604 -14.689 -1.095 1.00 0.00 C ATOM 284 C ILE A 21 0.079 -14.724 -1.112 1.00 0.00 C ATOM 285 O ILE A 21 -0.574 -14.167 -0.230 1.00 0.00 O ATOM 286 CB ILE A 21 2.122 -15.817 -0.184 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.630 -16.000 -0.369 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.386 -17.116 -0.478 1.00 0.00 C ATOM 289 CD1 ILE A 21 4.094 -17.427 -0.181 1.00 0.00 C ATOM 0 H ILE A 21 1.713 -13.067 0.230 1.00 0.00 H new ATOM 0 HA ILE A 21 1.981 -14.848 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 21 1.933 -15.541 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.908 -15.665 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.155 -15.360 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.764 -17.904 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.319 -16.978 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.547 -17.398 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.173 -17.481 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.847 -17.760 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.597 -18.070 -0.907 1.00 0.00 H new ATOM 301 N GLU A 22 -0.481 -15.385 -2.121 1.00 0.00 N ATOM 302 CA GLU A 22 -1.929 -15.494 -2.251 1.00 0.00 C ATOM 303 C GLU A 22 -2.557 -15.988 -0.951 1.00 0.00 C ATOM 304 O GLU A 22 -2.163 -17.021 -0.412 1.00 0.00 O ATOM 305 CB GLU A 22 -2.290 -16.441 -3.397 1.00 0.00 C ATOM 306 CG GLU A 22 -3.658 -17.085 -3.247 1.00 0.00 C ATOM 307 CD GLU A 22 -3.973 -18.054 -4.370 1.00 0.00 C ATOM 308 OE1 GLU A 22 -3.565 -17.785 -5.519 1.00 0.00 O ATOM 309 OE2 GLU A 22 -4.629 -19.081 -4.099 1.00 0.00 O ATOM 0 H GLU A 22 0.046 -15.852 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.324 -14.502 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.259 -15.889 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.534 -17.224 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.705 -17.612 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.421 -16.307 -3.219 1.00 0.00 H new ATOM 316 N GLY A 23 -3.537 -15.240 -0.453 1.00 0.00 N ATOM 317 CA GLY A 23 -4.204 -15.617 0.780 1.00 0.00 C ATOM 318 C GLY A 23 -3.644 -14.891 1.987 1.00 0.00 C ATOM 319 O GLY A 23 -4.394 -14.455 2.860 1.00 0.00 O ATOM 0 H GLY A 23 -3.881 -14.380 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.269 -15.403 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.106 -16.692 0.929 1.00 0.00 H new ATOM 323 N ALA A 24 -2.322 -14.762 2.038 1.00 0.00 N ATOM 324 CA ALA A 24 -1.663 -14.084 3.147 1.00 0.00 C ATOM 325 C ALA A 24 -2.199 -12.667 3.320 1.00 0.00 C ATOM 326 O ALA A 24 -3.131 -12.255 2.629 1.00 0.00 O ATOM 327 CB ALA A 24 -0.157 -14.058 2.930 1.00 0.00 C ATOM 0 H ALA A 24 -1.687 -15.118 1.324 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.878 -14.640 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.322 -13.549 3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.219 -15.079 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.068 -13.528 2.005 1.00 0.00 H new ATOM 333 N THR A 25 -1.604 -11.923 4.248 1.00 0.00 N ATOM 334 CA THR A 25 -2.023 -10.553 4.513 1.00 0.00 C ATOM 335 C THR A 25 -0.904 -9.566 4.200 1.00 0.00 C ATOM 336 O THR A 25 0.074 -9.467 4.940 1.00 0.00 O ATOM 337 CB THR A 25 -2.456 -10.372 5.981 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.449 -11.346 6.322 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.009 -8.974 6.213 1.00 0.00 C ATOM 0 H THR A 25 -0.830 -12.247 4.828 1.00 0.00 H new ATOM 0 HA THR A 25 -2.874 -10.351 3.863 1.00 0.00 H new ATOM 0 HB THR A 25 -1.580 -10.509 6.615 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.340 -10.983 6.138 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.308 -8.869 7.256 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.242 -8.236 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.874 -8.814 5.570 1.00 0.00 H new ATOM 347 N ALA A 26 -1.056 -8.836 3.100 1.00 0.00 N ATOM 348 CA ALA A 26 -0.060 -7.854 2.691 1.00 0.00 C ATOM 349 C ALA A 26 -0.077 -6.638 3.611 1.00 0.00 C ATOM 350 O ALA A 26 -1.040 -6.415 4.346 1.00 0.00 O ATOM 351 CB ALA A 26 -0.297 -7.430 1.249 1.00 0.00 C ATOM 0 H ALA A 26 -1.860 -8.906 2.476 1.00 0.00 H new ATOM 0 HA ALA A 26 0.923 -8.319 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.454 -6.696 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.226 -8.301 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.289 -6.989 1.158 1.00 0.00 H new ATOM 357 N THR A 27 0.996 -5.854 3.568 1.00 0.00 N ATOM 358 CA THR A 27 1.105 -4.662 4.399 1.00 0.00 C ATOM 359 C THR A 27 2.141 -3.694 3.840 1.00 0.00 C ATOM 360 O THR A 27 3.345 -3.945 3.914 1.00 0.00 O ATOM 361 CB THR A 27 1.485 -5.021 5.849 1.00 0.00 C ATOM 362 OG1 THR A 27 0.518 -5.922 6.399 1.00 0.00 O ATOM 363 CG2 THR A 27 1.569 -3.770 6.711 1.00 0.00 C ATOM 0 H THR A 27 1.802 -6.024 2.966 1.00 0.00 H new ATOM 0 HA THR A 27 0.126 -4.184 4.395 1.00 0.00 H new ATOM 0 HB THR A 27 2.463 -5.501 5.838 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.295 -5.903 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.838 -4.048 7.730 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.326 -3.099 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.603 -3.266 6.716 1.00 0.00 H new ATOM 371 N LEU A 28 1.668 -2.587 3.279 1.00 0.00 N ATOM 372 CA LEU A 28 2.554 -1.580 2.707 1.00 0.00 C ATOM 373 C LEU A 28 2.821 -0.458 3.706 1.00 0.00 C ATOM 374 O LEU A 28 2.097 -0.304 4.689 1.00 0.00 O ATOM 375 CB LEU A 28 1.945 -1.004 1.427 1.00 0.00 C ATOM 376 CG LEU A 28 2.148 -1.829 0.156 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.982 -1.631 -0.801 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.461 -1.458 -0.516 1.00 0.00 C ATOM 0 H LEU A 28 0.675 -2.364 3.208 1.00 0.00 H new ATOM 0 HA LEU A 28 3.502 -2.061 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.874 -0.874 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.366 -0.012 1.263 1.00 0.00 H new ATOM 0 HG LEU A 28 2.189 -2.883 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.144 -2.226 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.057 -1.947 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.908 -0.578 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.589 -2.055 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.449 -0.400 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.287 -1.653 0.168 1.00 0.00 H new ATOM 390 N ARG A 29 3.865 0.323 3.446 1.00 0.00 N ATOM 391 CA ARG A 29 4.227 1.431 4.321 1.00 0.00 C ATOM 392 C ARG A 29 4.987 2.506 3.551 1.00 0.00 C ATOM 393 O ARG A 29 5.839 2.200 2.716 1.00 0.00 O ATOM 394 CB ARG A 29 5.076 0.928 5.490 1.00 0.00 C ATOM 395 CG ARG A 29 5.288 1.966 6.580 1.00 0.00 C ATOM 396 CD ARG A 29 5.573 1.313 7.923 1.00 0.00 C ATOM 397 NE ARG A 29 6.350 2.184 8.801 1.00 0.00 N ATOM 398 CZ ARG A 29 7.675 2.267 8.768 1.00 0.00 C ATOM 399 NH1 ARG A 29 8.367 1.537 7.905 1.00 0.00 N ATOM 400 NH2 ARG A 29 8.311 3.083 9.599 1.00 0.00 N ATOM 0 H ARG A 29 4.475 0.208 2.636 1.00 0.00 H new ATOM 0 HA ARG A 29 3.308 1.870 4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.597 0.050 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.047 0.607 5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.118 2.617 6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.402 2.596 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.631 1.056 8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.115 0.381 7.765 1.00 0.00 H new ATOM 0 HE ARG A 29 5.847 2.760 9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.882 0.909 7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.385 1.603 7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.782 3.647 10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.329 3.146 9.573 1.00 0.00 H new ATOM 414 N CYS A 30 4.674 3.765 3.838 1.00 0.00 N ATOM 415 CA CYS A 30 5.327 4.886 3.172 1.00 0.00 C ATOM 416 C CYS A 30 5.597 6.020 4.155 1.00 0.00 C ATOM 417 O CYS A 30 5.298 5.908 5.343 1.00 0.00 O ATOM 418 CB CYS A 30 4.463 5.392 2.015 1.00 0.00 C ATOM 419 SG CYS A 30 3.022 6.353 2.536 1.00 0.00 S ATOM 0 H CYS A 30 3.972 4.035 4.527 1.00 0.00 H new ATOM 0 HA CYS A 30 6.281 4.537 2.778 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.078 6.007 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.124 4.538 1.428 1.00 0.00 H new ATOM 0 HG CYS A 30 2.174 6.431 1.554 1.00 0.00 H new ATOM 425 N GLU A 31 6.165 7.111 3.650 1.00 0.00 N ATOM 426 CA GLU A 31 6.478 8.265 4.486 1.00 0.00 C ATOM 427 C GLU A 31 6.038 9.561 3.811 1.00 0.00 C ATOM 428 O GLU A 31 5.887 9.618 2.589 1.00 0.00 O ATOM 429 CB GLU A 31 7.978 8.316 4.783 1.00 0.00 C ATOM 430 CG GLU A 31 8.318 9.045 6.072 1.00 0.00 C ATOM 431 CD GLU A 31 9.776 8.892 6.461 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.107 7.904 7.148 1.00 0.00 O ATOM 433 OE2 GLU A 31 10.586 9.762 6.077 1.00 0.00 O ATOM 0 H GLU A 31 6.418 7.220 2.668 1.00 0.00 H new ATOM 0 HA GLU A 31 5.933 8.160 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.364 7.298 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.488 8.805 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.085 10.104 5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.689 8.665 6.877 1.00 0.00 H new ATOM 440 N LEU A 32 5.833 10.599 4.614 1.00 0.00 N ATOM 441 CA LEU A 32 5.409 11.895 4.095 1.00 0.00 C ATOM 442 C LEU A 32 6.189 13.027 4.756 1.00 0.00 C ATOM 443 O LEU A 32 6.656 12.895 5.887 1.00 0.00 O ATOM 444 CB LEU A 32 3.910 12.093 4.324 1.00 0.00 C ATOM 445 CG LEU A 32 2.981 11.249 3.450 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.530 11.460 3.855 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.181 11.584 1.980 1.00 0.00 C ATOM 0 H LEU A 32 5.953 10.569 5.626 1.00 0.00 H new ATOM 0 HA LEU A 32 5.612 11.914 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.690 11.875 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.674 13.145 4.161 1.00 0.00 H new ATOM 0 HG LEU A 32 3.229 10.198 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.884 10.852 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.397 11.168 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.268 12.511 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.512 10.974 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.961 12.639 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.214 11.380 1.698 1.00 0.00 H new ATOM 459 N SER A 33 6.325 14.140 4.043 1.00 0.00 N ATOM 460 CA SER A 33 7.050 15.296 4.559 1.00 0.00 C ATOM 461 C SER A 33 6.476 15.742 5.900 1.00 0.00 C ATOM 462 O SER A 33 7.160 16.380 6.701 1.00 0.00 O ATOM 463 CB SER A 33 6.992 16.450 3.557 1.00 0.00 C ATOM 464 OG SER A 33 7.600 17.616 4.086 1.00 0.00 O ATOM 0 H SER A 33 5.943 14.266 3.106 1.00 0.00 H new ATOM 0 HA SER A 33 8.090 15.005 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.495 16.160 2.634 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.954 16.662 3.301 1.00 0.00 H new ATOM 0 HG SER A 33 7.413 18.378 3.498 1.00 0.00 H new ATOM 470 N LYS A 34 5.214 15.402 6.139 1.00 0.00 N ATOM 471 CA LYS A 34 4.545 15.765 7.383 1.00 0.00 C ATOM 472 C LYS A 34 3.191 15.072 7.495 1.00 0.00 C ATOM 473 O LYS A 34 2.492 14.890 6.499 1.00 0.00 O ATOM 474 CB LYS A 34 4.362 17.282 7.464 1.00 0.00 C ATOM 475 CG LYS A 34 3.554 17.859 6.314 1.00 0.00 C ATOM 476 CD LYS A 34 3.235 19.327 6.539 1.00 0.00 C ATOM 477 CE LYS A 34 2.436 19.907 5.381 1.00 0.00 C ATOM 478 NZ LYS A 34 0.991 19.560 5.476 1.00 0.00 N ATOM 0 H LYS A 34 4.633 14.875 5.487 1.00 0.00 H new ATOM 0 HA LYS A 34 5.171 15.436 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.869 17.531 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.343 17.757 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.111 17.745 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.627 17.297 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.671 19.440 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.162 19.888 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.549 20.991 5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.838 19.534 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.481 19.973 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.881 18.526 5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.601 19.938 6.363 1.00 0.00 H new ATOM 492 N ALA A 35 2.827 14.689 8.714 1.00 0.00 N ATOM 493 CA ALA A 35 1.555 14.019 8.957 1.00 0.00 C ATOM 494 C ALA A 35 0.452 14.603 8.080 1.00 0.00 C ATOM 495 O ALA A 35 -0.057 15.690 8.349 1.00 0.00 O ATOM 496 CB ALA A 35 1.175 14.124 10.426 1.00 0.00 C ATOM 0 H ALA A 35 3.395 14.831 9.549 1.00 0.00 H new ATOM 0 HA ALA A 35 1.671 12.967 8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.223 13.619 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.947 13.654 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.082 15.174 10.704 1.00 0.00 H new ATOM 502 N ALA A 36 0.088 13.873 7.031 1.00 0.00 N ATOM 503 CA ALA A 36 -0.956 14.318 6.116 1.00 0.00 C ATOM 504 C ALA A 36 -1.776 13.139 5.603 1.00 0.00 C ATOM 505 O ALA A 36 -1.297 12.008 5.519 1.00 0.00 O ATOM 506 CB ALA A 36 -0.345 15.085 4.952 1.00 0.00 C ATOM 0 H ALA A 36 0.501 12.971 6.794 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.626 14.982 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.136 15.411 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.191 15.955 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.348 14.438 4.414 1.00 0.00 H new ATOM 512 N PRO A 37 -3.043 13.407 5.253 1.00 0.00 N ATOM 513 CA PRO A 37 -3.957 12.380 4.744 1.00 0.00 C ATOM 514 C PRO A 37 -3.570 11.900 3.349 1.00 0.00 C ATOM 515 O PRO A 37 -3.221 12.700 2.481 1.00 0.00 O ATOM 516 CB PRO A 37 -5.309 13.096 4.706 1.00 0.00 C ATOM 517 CG PRO A 37 -4.970 14.541 4.578 1.00 0.00 C ATOM 518 CD PRO A 37 -3.681 14.732 5.328 1.00 0.00 C ATOM 0 HA PRO A 37 -3.950 11.484 5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.914 12.755 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.884 12.903 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.858 14.824 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.760 15.166 4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.061 15.503 4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.858 15.035 6.360 1.00 0.00 H new ATOM 526 N VAL A 38 -3.633 10.589 3.140 1.00 0.00 N ATOM 527 CA VAL A 38 -3.290 10.003 1.850 1.00 0.00 C ATOM 528 C VAL A 38 -4.429 9.139 1.319 1.00 0.00 C ATOM 529 O VAL A 38 -5.488 9.044 1.937 1.00 0.00 O ATOM 530 CB VAL A 38 -2.012 9.148 1.944 1.00 0.00 C ATOM 531 CG1 VAL A 38 -0.840 9.991 2.423 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.235 7.957 2.863 1.00 0.00 C ATOM 0 H VAL A 38 -3.919 9.912 3.848 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.115 10.831 1.163 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.774 8.770 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.054 9.370 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.668 10.807 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.065 10.400 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.322 7.364 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.498 8.311 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.045 7.341 2.471 1.00 0.00 H new ATOM 542 N GLU A 39 -4.201 8.510 0.170 1.00 0.00 N ATOM 543 CA GLU A 39 -5.209 7.653 -0.444 1.00 0.00 C ATOM 544 C GLU A 39 -4.561 6.629 -1.371 1.00 0.00 C ATOM 545 O GLU A 39 -4.098 6.968 -2.460 1.00 0.00 O ATOM 546 CB GLU A 39 -6.220 8.496 -1.223 1.00 0.00 C ATOM 547 CG GLU A 39 -7.199 7.670 -2.041 1.00 0.00 C ATOM 548 CD GLU A 39 -8.448 8.445 -2.414 1.00 0.00 C ATOM 549 OE1 GLU A 39 -9.053 9.063 -1.514 1.00 0.00 O ATOM 550 OE2 GLU A 39 -8.819 8.434 -3.606 1.00 0.00 O ATOM 0 H GLU A 39 -3.328 8.578 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.729 7.119 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.778 9.118 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.682 9.171 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.706 7.324 -2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.482 6.783 -1.474 1.00 0.00 H new ATOM 557 N TRP A 40 -4.531 5.377 -0.931 1.00 0.00 N ATOM 558 CA TRP A 40 -3.939 4.303 -1.721 1.00 0.00 C ATOM 559 C TRP A 40 -4.781 4.010 -2.958 1.00 0.00 C ATOM 560 O TRP A 40 -5.999 4.192 -2.949 1.00 0.00 O ATOM 561 CB TRP A 40 -3.798 3.037 -0.873 1.00 0.00 C ATOM 562 CG TRP A 40 -2.921 3.222 0.328 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.235 3.887 1.478 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.584 2.736 0.495 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.175 3.844 2.351 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.150 3.143 1.772 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.713 1.995 -0.307 1.00 0.00 C ATOM 568 CZ2 TRP A 40 0.116 2.834 2.261 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.544 1.689 0.179 1.00 0.00 C ATOM 570 CH2 TRP A 40 0.949 2.108 1.454 1.00 0.00 C ATOM 0 H TRP A 40 -4.909 5.080 -0.032 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.950 4.626 -2.046 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.787 2.715 -0.546 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.391 2.237 -1.492 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.178 4.375 1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.154 4.266 3.280 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.017 1.667 -1.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.430 3.156 3.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.226 1.118 -0.434 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.938 1.853 1.806 1.00 0.00 H new ATOM 581 N ARG A 41 -4.125 3.556 -4.021 1.00 0.00 N ATOM 582 CA ARG A 41 -4.814 3.239 -5.266 1.00 0.00 C ATOM 583 C ARG A 41 -4.245 1.970 -5.894 1.00 0.00 C ATOM 584 O ARG A 41 -3.062 1.906 -6.228 1.00 0.00 O ATOM 585 CB ARG A 41 -4.696 4.404 -6.250 1.00 0.00 C ATOM 586 CG ARG A 41 -5.532 5.614 -5.864 1.00 0.00 C ATOM 587 CD ARG A 41 -5.964 6.406 -7.088 1.00 0.00 C ATOM 588 NE ARG A 41 -6.967 7.416 -6.760 1.00 0.00 N ATOM 589 CZ ARG A 41 -7.784 7.957 -7.657 1.00 0.00 C ATOM 590 NH1 ARG A 41 -7.718 7.588 -8.928 1.00 0.00 N ATOM 591 NH2 ARG A 41 -8.671 8.870 -7.281 1.00 0.00 N ATOM 0 H ARG A 41 -3.117 3.400 -4.045 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.866 3.071 -5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.650 4.703 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.999 4.064 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.413 5.288 -5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.957 6.257 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.094 6.890 -7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.367 5.725 -7.837 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.044 7.722 -5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.038 6.886 -9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.347 8.006 -9.614 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.725 9.156 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.298 9.286 -7.970 1.00 0.00 H new ATOM 605 N LYS A 42 -5.096 0.961 -6.051 1.00 0.00 N ATOM 606 CA LYS A 42 -4.680 -0.307 -6.639 1.00 0.00 C ATOM 607 C LYS A 42 -5.026 -0.357 -8.124 1.00 0.00 C ATOM 608 O LYS A 42 -6.087 -0.849 -8.507 1.00 0.00 O ATOM 609 CB LYS A 42 -5.346 -1.475 -5.908 1.00 0.00 C ATOM 610 CG LYS A 42 -5.053 -2.828 -6.531 1.00 0.00 C ATOM 611 CD LYS A 42 -6.020 -3.891 -6.036 1.00 0.00 C ATOM 612 CE LYS A 42 -5.960 -5.144 -6.897 1.00 0.00 C ATOM 613 NZ LYS A 42 -6.628 -4.945 -8.213 1.00 0.00 N ATOM 0 H LYS A 42 -6.078 0.997 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.598 -0.391 -6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.011 -1.482 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.424 -1.317 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.119 -2.752 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.031 -3.125 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.784 -4.146 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.035 -3.493 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.919 -5.425 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.436 -5.970 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.716 -5.860 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.574 -4.539 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.061 -4.297 -8.796 1.00 0.00 H new ATOM 627 N GLY A 43 -4.124 0.153 -8.956 1.00 0.00 N ATOM 628 CA GLY A 43 -4.353 0.154 -10.389 1.00 0.00 C ATOM 629 C GLY A 43 -5.600 0.925 -10.776 1.00 0.00 C ATOM 630 O GLY A 43 -6.714 0.415 -10.657 1.00 0.00 O ATOM 0 H GLY A 43 -3.238 0.566 -8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.489 0.590 -10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.441 -0.874 -10.741 1.00 0.00 H new ATOM 634 N ARG A 44 -5.413 2.156 -11.239 1.00 0.00 N ATOM 635 CA ARG A 44 -6.532 2.999 -11.642 1.00 0.00 C ATOM 636 C ARG A 44 -7.728 2.794 -10.716 1.00 0.00 C ATOM 637 O ARG A 44 -8.877 2.953 -11.127 1.00 0.00 O ATOM 638 CB ARG A 44 -6.934 2.694 -13.086 1.00 0.00 C ATOM 639 CG ARG A 44 -7.656 1.367 -13.250 1.00 0.00 C ATOM 640 CD ARG A 44 -8.051 1.123 -14.698 1.00 0.00 C ATOM 641 NE ARG A 44 -8.866 -0.079 -14.848 1.00 0.00 N ATOM 642 CZ ARG A 44 -9.206 -0.596 -16.024 1.00 0.00 C ATOM 643 NH1 ARG A 44 -8.802 -0.018 -17.146 1.00 0.00 N ATOM 644 NH2 ARG A 44 -9.951 -1.692 -16.078 1.00 0.00 N ATOM 0 H ARG A 44 -4.497 2.592 -11.344 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.214 4.039 -11.573 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.576 3.495 -13.452 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.040 2.691 -13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.013 0.557 -12.906 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.547 1.356 -12.622 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.603 1.985 -15.073 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.153 1.030 -15.308 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.193 -0.548 -14.003 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.229 0.825 -17.108 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.064 -0.416 -18.048 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.264 -2.139 -15.216 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.211 -2.088 -16.981 1.00 0.00 H new ATOM 658 N GLU A 45 -7.447 2.441 -9.465 1.00 0.00 N ATOM 659 CA GLU A 45 -8.500 2.214 -8.482 1.00 0.00 C ATOM 660 C GLU A 45 -8.223 2.990 -7.198 1.00 0.00 C ATOM 661 O GLU A 45 -7.101 3.436 -6.960 1.00 0.00 O ATOM 662 CB GLU A 45 -8.625 0.721 -8.171 1.00 0.00 C ATOM 663 CG GLU A 45 -10.042 0.283 -7.843 1.00 0.00 C ATOM 664 CD GLU A 45 -10.098 -1.105 -7.236 1.00 0.00 C ATOM 665 OE1 GLU A 45 -9.457 -2.022 -7.790 1.00 0.00 O ATOM 666 OE2 GLU A 45 -10.785 -1.275 -6.207 1.00 0.00 O ATOM 0 H GLU A 45 -6.501 2.306 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.439 2.570 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.266 0.149 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.975 0.478 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.488 0.997 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.644 0.303 -8.752 1.00 0.00 H new ATOM 673 N SER A 46 -9.255 3.149 -6.375 1.00 0.00 N ATOM 674 CA SER A 46 -9.125 3.876 -5.118 1.00 0.00 C ATOM 675 C SER A 46 -9.340 2.945 -3.928 1.00 0.00 C ATOM 676 O SER A 46 -10.280 2.150 -3.908 1.00 0.00 O ATOM 677 CB SER A 46 -10.128 5.030 -5.065 1.00 0.00 C ATOM 678 OG SER A 46 -10.443 5.370 -3.726 1.00 0.00 O ATOM 0 H SER A 46 -10.190 2.784 -6.556 1.00 0.00 H new ATOM 0 HA SER A 46 -8.114 4.280 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.715 5.899 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.038 4.750 -5.596 1.00 0.00 H new ATOM 0 HG SER A 46 -11.084 6.111 -3.719 1.00 0.00 H new ATOM 684 N LEU A 47 -8.461 3.049 -2.937 1.00 0.00 N ATOM 685 CA LEU A 47 -8.553 2.218 -1.742 1.00 0.00 C ATOM 686 C LEU A 47 -9.095 3.018 -0.562 1.00 0.00 C ATOM 687 O LEU A 47 -8.777 4.197 -0.400 1.00 0.00 O ATOM 688 CB LEU A 47 -7.181 1.638 -1.393 1.00 0.00 C ATOM 689 CG LEU A 47 -6.767 0.385 -2.164 1.00 0.00 C ATOM 690 CD1 LEU A 47 -6.824 0.636 -3.663 1.00 0.00 C ATOM 691 CD2 LEU A 47 -5.371 -0.060 -1.749 1.00 0.00 C ATOM 0 H LEU A 47 -7.676 3.701 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.244 1.401 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.429 2.409 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.167 1.406 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.469 -0.414 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.526 -0.268 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.841 0.906 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.146 1.450 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.093 -0.953 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.658 0.737 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.362 -0.282 -0.682 1.00 0.00 H new ATOM 703 N ARG A 48 -9.912 2.370 0.261 1.00 0.00 N ATOM 704 CA ARG A 48 -10.497 3.021 1.428 1.00 0.00 C ATOM 705 C ARG A 48 -10.597 2.049 2.600 1.00 0.00 C ATOM 706 O ARG A 48 -10.676 0.835 2.407 1.00 0.00 O ATOM 707 CB ARG A 48 -11.883 3.573 1.088 1.00 0.00 C ATOM 708 CG ARG A 48 -11.905 4.435 -0.163 1.00 0.00 C ATOM 709 CD ARG A 48 -13.272 4.415 -0.829 1.00 0.00 C ATOM 710 NE ARG A 48 -13.385 3.342 -1.814 1.00 0.00 N ATOM 711 CZ ARG A 48 -14.300 3.323 -2.777 1.00 0.00 C ATOM 712 NH1 ARG A 48 -15.176 4.312 -2.884 1.00 0.00 N ATOM 713 NH2 ARG A 48 -14.339 2.312 -3.636 1.00 0.00 N ATOM 0 H ARG A 48 -10.184 1.394 0.142 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.846 3.846 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.574 2.740 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.247 4.161 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.640 5.460 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.152 4.078 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.044 4.292 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.453 5.374 -1.315 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.726 2.566 -1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.149 5.091 -2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.877 4.294 -3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.666 1.549 -3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.042 2.298 -4.375 1.00 0.00 H new ATOM 727 N ASP A 49 -10.594 2.590 3.812 1.00 0.00 N ATOM 728 CA ASP A 49 -10.685 1.772 5.016 1.00 0.00 C ATOM 729 C ASP A 49 -12.055 1.108 5.119 1.00 0.00 C ATOM 730 O ASP A 49 -13.079 1.785 5.197 1.00 0.00 O ATOM 731 CB ASP A 49 -10.422 2.623 6.259 1.00 0.00 C ATOM 732 CG ASP A 49 -11.149 2.101 7.482 1.00 0.00 C ATOM 733 OD1 ASP A 49 -10.611 1.195 8.151 1.00 0.00 O ATOM 734 OD2 ASP A 49 -12.258 2.599 7.771 1.00 0.00 O ATOM 0 H ASP A 49 -10.529 3.593 3.988 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.926 0.992 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.351 2.647 6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.733 3.650 6.065 1.00 0.00 H new ATOM 739 N GLY A 50 -12.065 -0.221 5.118 1.00 0.00 N ATOM 740 CA GLY A 50 -13.314 -0.954 5.210 1.00 0.00 C ATOM 741 C GLY A 50 -13.176 -2.236 6.007 1.00 0.00 C ATOM 742 O GLY A 50 -12.441 -2.287 6.993 1.00 0.00 O ATOM 0 H GLY A 50 -11.230 -0.804 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.070 -0.321 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.668 -1.190 4.206 1.00 0.00 H new ATOM 746 N ASP A 51 -13.886 -3.275 5.580 1.00 0.00 N ATOM 747 CA ASP A 51 -13.841 -4.564 6.260 1.00 0.00 C ATOM 748 C ASP A 51 -12.426 -4.877 6.738 1.00 0.00 C ATOM 749 O ASP A 51 -12.127 -4.783 7.928 1.00 0.00 O ATOM 750 CB ASP A 51 -14.335 -5.673 5.331 1.00 0.00 C ATOM 751 CG ASP A 51 -15.751 -5.432 4.844 1.00 0.00 C ATOM 752 OD1 ASP A 51 -16.579 -4.945 5.642 1.00 0.00 O ATOM 753 OD2 ASP A 51 -16.030 -5.729 3.664 1.00 0.00 O ATOM 0 H ASP A 51 -14.500 -3.249 4.766 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.496 -4.511 7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.667 -5.749 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.291 -6.628 5.855 1.00 0.00 H new ATOM 758 N ARG A 52 -11.559 -5.249 5.801 1.00 0.00 N ATOM 759 CA ARG A 52 -10.177 -5.577 6.127 1.00 0.00 C ATOM 760 C ARG A 52 -9.241 -4.437 5.738 1.00 0.00 C ATOM 761 O ARG A 52 -8.396 -4.016 6.529 1.00 0.00 O ATOM 762 CB ARG A 52 -9.755 -6.863 5.414 1.00 0.00 C ATOM 763 CG ARG A 52 -10.057 -8.126 6.205 1.00 0.00 C ATOM 764 CD ARG A 52 -9.182 -8.229 7.444 1.00 0.00 C ATOM 765 NE ARG A 52 -9.853 -8.939 8.530 1.00 0.00 N ATOM 766 CZ ARG A 52 -9.377 -9.007 9.768 1.00 0.00 C ATOM 767 NH1 ARG A 52 -8.234 -8.410 10.076 1.00 0.00 N ATOM 768 NH2 ARG A 52 -10.046 -9.672 10.702 1.00 0.00 N ATOM 0 H ARG A 52 -11.790 -5.330 4.811 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.110 -5.727 7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.263 -6.918 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.685 -6.820 5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.107 -8.131 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.899 -8.999 5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.255 -8.745 7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.909 -7.228 7.779 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.735 -9.408 8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.718 -7.897 9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.871 -8.464 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.926 -10.131 10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.680 -9.724 11.653 1.00 0.00 H new ATOM 782 N HIS A 53 -9.397 -3.940 4.515 1.00 0.00 N ATOM 783 CA HIS A 53 -8.566 -2.848 4.021 1.00 0.00 C ATOM 784 C HIS A 53 -8.305 -1.824 5.121 1.00 0.00 C ATOM 785 O HIS A 53 -9.167 -1.002 5.434 1.00 0.00 O ATOM 786 CB HIS A 53 -9.235 -2.170 2.825 1.00 0.00 C ATOM 787 CG HIS A 53 -9.170 -2.978 1.565 1.00 0.00 C ATOM 788 ND1 HIS A 53 -10.094 -3.951 1.246 1.00 0.00 N ATOM 789 CD2 HIS A 53 -8.285 -2.951 0.542 1.00 0.00 C ATOM 790 CE1 HIS A 53 -9.778 -4.489 0.082 1.00 0.00 C ATOM 791 NE2 HIS A 53 -8.685 -3.900 -0.367 1.00 0.00 N ATOM 0 H HIS A 53 -10.091 -4.276 3.848 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.611 -3.266 3.704 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.279 -1.973 3.067 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.760 -1.204 2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.425 -2.304 0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.322 -5.277 -0.418 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.214 -4.115 -1.246 1.00 0.00 H new ATOM 800 N SER A 54 -7.112 -1.880 5.705 1.00 0.00 N ATOM 801 CA SER A 54 -6.740 -0.960 6.773 1.00 0.00 C ATOM 802 C SER A 54 -5.784 0.112 6.259 1.00 0.00 C ATOM 803 O SER A 54 -4.776 -0.193 5.619 1.00 0.00 O ATOM 804 CB SER A 54 -6.093 -1.723 7.930 1.00 0.00 C ATOM 805 OG SER A 54 -6.316 -1.063 9.164 1.00 0.00 O ATOM 0 H SER A 54 -6.387 -2.553 5.456 1.00 0.00 H new ATOM 0 HA SER A 54 -7.647 -0.472 7.130 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.499 -2.733 7.976 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.022 -1.818 7.753 1.00 0.00 H new ATOM 0 HG SER A 54 -5.894 -1.571 9.888 1.00 0.00 H new ATOM 811 N LEU A 55 -6.107 1.369 6.542 1.00 0.00 N ATOM 812 CA LEU A 55 -5.278 2.488 6.109 1.00 0.00 C ATOM 813 C LEU A 55 -4.751 3.272 7.307 1.00 0.00 C ATOM 814 O LEU A 55 -4.738 4.503 7.299 1.00 0.00 O ATOM 815 CB LEU A 55 -6.076 3.415 5.190 1.00 0.00 C ATOM 816 CG LEU A 55 -6.633 2.780 3.916 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.501 2.311 3.015 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.560 1.622 4.258 1.00 0.00 C ATOM 0 H LEU A 55 -6.937 1.639 7.070 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.427 2.085 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.908 3.830 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.436 4.251 4.906 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.209 3.534 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.916 1.862 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.877 3.162 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.898 1.573 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.947 1.182 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.008 0.867 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.390 1.987 4.863 1.00 0.00 H new ATOM 830 N ARG A 56 -4.315 2.550 8.334 1.00 0.00 N ATOM 831 CA ARG A 56 -3.785 3.177 9.539 1.00 0.00 C ATOM 832 C ARG A 56 -2.689 4.180 9.193 1.00 0.00 C ATOM 833 O ARG A 56 -1.834 3.913 8.349 1.00 0.00 O ATOM 834 CB ARG A 56 -3.236 2.115 10.493 1.00 0.00 C ATOM 835 CG ARG A 56 -2.248 1.162 9.841 1.00 0.00 C ATOM 836 CD ARG A 56 -2.288 -0.212 10.490 1.00 0.00 C ATOM 837 NE ARG A 56 -1.431 -0.286 11.670 1.00 0.00 N ATOM 838 CZ ARG A 56 -1.327 -1.365 12.437 1.00 0.00 C ATOM 839 NH1 ARG A 56 -2.022 -2.457 12.149 1.00 0.00 N ATOM 840 NH2 ARG A 56 -0.526 -1.355 13.495 1.00 0.00 N ATOM 0 H ARG A 56 -4.318 1.530 8.356 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.600 3.710 10.029 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.749 2.610 11.333 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.068 1.540 10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.476 1.071 8.779 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.241 1.572 9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.314 -0.450 10.772 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.974 -0.964 9.766 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.882 0.537 11.919 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.638 -2.470 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.940 -3.284 12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.011 -0.518 13.720 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.447 -2.185 14.083 1.00 0.00 H new ATOM 854 N GLN A 57 -2.722 5.335 9.850 1.00 0.00 N ATOM 855 CA GLN A 57 -1.732 6.379 9.610 1.00 0.00 C ATOM 856 C GLN A 57 -0.969 6.708 10.889 1.00 0.00 C ATOM 857 O GLN A 57 -1.260 6.166 11.955 1.00 0.00 O ATOM 858 CB GLN A 57 -2.409 7.638 9.067 1.00 0.00 C ATOM 859 CG GLN A 57 -2.626 7.612 7.563 1.00 0.00 C ATOM 860 CD GLN A 57 -2.815 8.997 6.976 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.871 9.312 6.426 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.790 9.833 7.090 1.00 0.00 N ATOM 0 H GLN A 57 -3.423 5.572 10.552 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.022 6.010 8.870 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.372 7.765 9.562 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.802 8.506 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.772 7.132 7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.501 7.003 7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.934 9.530 7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.859 10.779 6.714 1.00 0.00 H new ATOM 871 N ASP A 58 0.009 7.600 10.774 1.00 0.00 N ATOM 872 CA ASP A 58 0.815 8.003 11.921 1.00 0.00 C ATOM 873 C ASP A 58 1.664 9.225 11.587 1.00 0.00 C ATOM 874 O ASP A 58 1.585 9.765 10.484 1.00 0.00 O ATOM 875 CB ASP A 58 1.714 6.850 12.370 1.00 0.00 C ATOM 876 CG ASP A 58 2.001 6.885 13.858 1.00 0.00 C ATOM 877 OD1 ASP A 58 1.115 6.485 14.642 1.00 0.00 O ATOM 878 OD2 ASP A 58 3.111 7.312 14.239 1.00 0.00 O ATOM 0 H ASP A 58 0.263 8.058 9.898 1.00 0.00 H new ATOM 0 HA ASP A 58 0.138 8.265 12.735 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.238 5.903 12.117 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.654 6.891 11.821 1.00 0.00 H new ATOM 883 N GLY A 59 2.474 9.658 12.548 1.00 0.00 N ATOM 884 CA GLY A 59 3.325 10.814 12.336 1.00 0.00 C ATOM 885 C GLY A 59 4.085 10.744 11.026 1.00 0.00 C ATOM 886 O GLY A 59 5.209 10.246 10.980 1.00 0.00 O ATOM 0 H GLY A 59 2.556 9.229 13.470 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.715 11.717 12.351 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.034 10.895 13.160 1.00 0.00 H new ATOM 890 N ALA A 60 3.469 11.241 9.959 1.00 0.00 N ATOM 891 CA ALA A 60 4.095 11.232 8.643 1.00 0.00 C ATOM 892 C ALA A 60 4.404 9.809 8.191 1.00 0.00 C ATOM 893 O ALA A 60 5.423 9.558 7.549 1.00 0.00 O ATOM 894 CB ALA A 60 5.364 12.071 8.656 1.00 0.00 C ATOM 0 H ALA A 60 2.537 11.655 9.980 1.00 0.00 H new ATOM 0 HA ALA A 60 3.393 11.666 7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.821 12.055 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.118 13.098 8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.063 11.662 9.385 1.00 0.00 H new ATOM 900 N VAL A 61 3.518 8.879 8.533 1.00 0.00 N ATOM 901 CA VAL A 61 3.696 7.480 8.162 1.00 0.00 C ATOM 902 C VAL A 61 2.354 6.806 7.898 1.00 0.00 C ATOM 903 O VAL A 61 1.448 6.856 8.731 1.00 0.00 O ATOM 904 CB VAL A 61 4.442 6.699 9.261 1.00 0.00 C ATOM 905 CG1 VAL A 61 4.636 5.249 8.847 1.00 0.00 C ATOM 906 CG2 VAL A 61 5.779 7.358 9.567 1.00 0.00 C ATOM 0 H VAL A 61 2.670 9.069 9.066 1.00 0.00 H new ATOM 0 HA VAL A 61 4.291 7.468 7.249 1.00 0.00 H new ATOM 0 HB VAL A 61 3.838 6.715 10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.165 4.713 9.635 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.664 4.785 8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.219 5.208 7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.293 6.794 10.345 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.392 7.374 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.611 8.379 9.910 1.00 0.00 H new ATOM 916 N CYS A 62 2.234 6.176 6.735 1.00 0.00 N ATOM 917 CA CYS A 62 1.002 5.492 6.360 1.00 0.00 C ATOM 918 C CYS A 62 1.251 4.002 6.146 1.00 0.00 C ATOM 919 O CYS A 62 2.367 3.589 5.836 1.00 0.00 O ATOM 920 CB CYS A 62 0.416 6.111 5.090 1.00 0.00 C ATOM 921 SG CYS A 62 0.147 7.896 5.194 1.00 0.00 S ATOM 0 H CYS A 62 2.975 6.125 6.036 1.00 0.00 H new ATOM 0 HA CYS A 62 0.288 5.609 7.175 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.086 5.903 4.255 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.533 5.624 4.866 1.00 0.00 H new ATOM 0 HG CYS A 62 0.999 8.509 4.427 1.00 0.00 H new ATOM 927 N GLU A 63 0.203 3.202 6.316 1.00 0.00 N ATOM 928 CA GLU A 63 0.310 1.758 6.144 1.00 0.00 C ATOM 929 C GLU A 63 -1.000 1.174 5.621 1.00 0.00 C ATOM 930 O GLU A 63 -2.072 1.434 6.170 1.00 0.00 O ATOM 931 CB GLU A 63 0.685 1.091 7.469 1.00 0.00 C ATOM 932 CG GLU A 63 2.184 0.977 7.689 1.00 0.00 C ATOM 933 CD GLU A 63 2.556 -0.189 8.584 1.00 0.00 C ATOM 934 OE1 GLU A 63 1.915 -0.353 9.643 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.488 -0.939 8.224 1.00 0.00 O ATOM 0 H GLU A 63 -0.729 3.529 6.572 1.00 0.00 H new ATOM 0 HA GLU A 63 1.093 1.562 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.248 1.660 8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.244 0.095 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.681 0.863 6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.554 1.902 8.131 1.00 0.00 H new ATOM 942 N LEU A 64 -0.905 0.385 4.557 1.00 0.00 N ATOM 943 CA LEU A 64 -2.082 -0.237 3.959 1.00 0.00 C ATOM 944 C LEU A 64 -2.074 -1.746 4.182 1.00 0.00 C ATOM 945 O LEU A 64 -1.173 -2.446 3.719 1.00 0.00 O ATOM 946 CB LEU A 64 -2.137 0.068 2.461 1.00 0.00 C ATOM 947 CG LEU A 64 -3.068 -0.816 1.630 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.488 -0.755 2.172 1.00 0.00 C ATOM 949 CD2 LEU A 64 -3.035 -0.398 0.167 1.00 0.00 C ATOM 0 H LEU A 64 -0.026 0.161 4.090 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.967 0.178 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.444 1.106 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.129 -0.018 2.056 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.718 -1.846 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.136 -1.390 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.499 -1.104 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.849 0.273 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.703 -1.038 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.359 0.639 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.019 -0.495 -0.216 1.00 0.00 H new ATOM 961 N GLN A 65 -3.084 -2.239 4.891 1.00 0.00 N ATOM 962 CA GLN A 65 -3.193 -3.665 5.174 1.00 0.00 C ATOM 963 C GLN A 65 -4.282 -4.307 4.321 1.00 0.00 C ATOM 964 O GLN A 65 -5.386 -3.775 4.203 1.00 0.00 O ATOM 965 CB GLN A 65 -3.491 -3.891 6.657 1.00 0.00 C ATOM 966 CG GLN A 65 -3.039 -5.250 7.168 1.00 0.00 C ATOM 967 CD GLN A 65 -3.839 -5.718 8.368 1.00 0.00 C ATOM 968 OE1 GLN A 65 -5.023 -6.036 8.253 1.00 0.00 O ATOM 969 NE2 GLN A 65 -3.196 -5.763 9.528 1.00 0.00 N ATOM 0 H GLN A 65 -3.838 -1.673 5.280 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.240 -4.133 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.001 -3.111 7.240 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.563 -3.788 6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.130 -5.984 6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.984 -5.200 7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.214 -5.490 9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.683 -6.070 10.370 1.00 0.00 H new ATOM 978 N ILE A 66 -3.964 -5.453 3.728 1.00 0.00 N ATOM 979 CA ILE A 66 -4.916 -6.168 2.887 1.00 0.00 C ATOM 980 C ILE A 66 -4.855 -7.670 3.142 1.00 0.00 C ATOM 981 O ILE A 66 -3.862 -8.324 2.823 1.00 0.00 O ATOM 982 CB ILE A 66 -4.657 -5.901 1.392 1.00 0.00 C ATOM 983 CG1 ILE A 66 -4.892 -4.424 1.067 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.548 -6.786 0.534 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.641 -4.078 -0.383 1.00 0.00 C ATOM 0 H ILE A 66 -3.054 -5.906 3.815 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.908 -5.798 3.147 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.617 -6.141 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.919 -4.163 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.243 -3.814 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.353 -6.586 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.336 -7.833 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.594 -6.574 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.827 -3.016 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.606 -4.307 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.309 -4.661 -1.017 1.00 0.00 H new ATOM 997 N CYS A 67 -5.924 -8.210 3.716 1.00 0.00 N ATOM 998 CA CYS A 67 -5.993 -9.637 4.013 1.00 0.00 C ATOM 999 C CYS A 67 -6.546 -10.414 2.822 1.00 0.00 C ATOM 1000 O CYS A 67 -6.977 -9.827 1.831 1.00 0.00 O ATOM 1001 CB CYS A 67 -6.865 -9.881 5.245 1.00 0.00 C ATOM 1002 SG CYS A 67 -5.955 -9.869 6.808 1.00 0.00 S ATOM 0 H CYS A 67 -6.754 -7.682 3.985 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.982 -9.990 4.217 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.642 -9.118 5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.367 -10.842 5.137 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.729 -10.289 7.764 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.529 -11.739 2.927 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.029 -12.575 1.851 1.00 0.00 C ATOM 1010 C GLY A 68 -6.409 -12.229 0.512 1.00 0.00 C ATOM 1011 O GLY A 68 -7.109 -12.129 -0.497 1.00 0.00 O ATOM 0 H GLY A 68 -6.178 -12.249 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.826 -13.620 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.112 -12.468 1.785 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.094 -12.043 0.501 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.380 -11.704 -0.725 1.00 0.00 C ATOM 1017 C LEU A 69 -4.802 -12.617 -1.872 1.00 0.00 C ATOM 1018 O LEU A 69 -5.360 -13.691 -1.649 1.00 0.00 O ATOM 1019 CB LEU A 69 -2.870 -11.808 -0.504 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.198 -10.587 0.125 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -0.853 -10.967 0.724 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.030 -9.480 -0.907 1.00 0.00 C ATOM 0 H LEU A 69 -4.500 -12.121 1.327 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.632 -10.678 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.675 -12.672 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.395 -12.004 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.838 -10.217 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.390 -10.085 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.998 -11.726 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.205 -11.363 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.550 -8.619 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.412 -9.840 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.008 -9.188 -1.290 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.528 -12.184 -3.098 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.875 -12.964 -4.279 1.00 0.00 C ATOM 1036 C ALA A 70 -3.979 -12.603 -5.459 1.00 0.00 C ATOM 1037 O ALA A 70 -3.797 -11.427 -5.776 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.338 -12.752 -4.641 1.00 0.00 C ATOM 0 H ALA A 70 -4.067 -11.297 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.718 -14.017 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.583 -13.341 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.968 -13.067 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.512 -11.696 -4.848 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.420 -13.621 -6.105 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.542 -13.411 -7.250 1.00 0.00 C ATOM 1046 C VAL A 71 -3.048 -12.271 -8.127 1.00 0.00 C ATOM 1047 O VAL A 71 -2.265 -11.590 -8.789 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.419 -14.686 -8.104 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.667 -14.394 -9.394 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.733 -15.791 -7.316 1.00 0.00 C ATOM 0 H VAL A 71 -3.560 -14.600 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.560 -13.153 -6.854 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.421 -15.026 -8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.590 -15.307 -9.985 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.204 -13.637 -9.965 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.667 -14.029 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.655 -16.685 -7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.735 -15.464 -7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.317 -16.018 -6.424 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.361 -12.069 -8.127 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.972 -11.010 -8.921 1.00 0.00 C ATOM 1062 C ALA A 72 -4.661 -9.637 -8.336 1.00 0.00 C ATOM 1063 O ALA A 72 -4.316 -8.705 -9.063 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.476 -11.219 -9.013 1.00 0.00 C ATOM 0 H ALA A 72 -5.023 -12.625 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.549 -11.053 -9.925 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.919 -10.421 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.682 -12.180 -9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.907 -11.206 -8.012 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.787 -9.518 -7.019 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.520 -8.258 -6.336 1.00 0.00 C ATOM 1072 C ASP A 73 -3.165 -7.692 -6.750 1.00 0.00 C ATOM 1073 O ASP A 73 -2.969 -6.478 -6.773 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.562 -8.456 -4.820 1.00 0.00 C ATOM 1075 CG ASP A 73 -5.940 -8.853 -4.326 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.937 -8.313 -4.850 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.021 -9.704 -3.416 1.00 0.00 O ATOM 0 H ASP A 73 -5.072 -10.279 -6.403 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.294 -7.546 -6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.842 -9.224 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.254 -7.534 -4.327 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.232 -8.582 -7.074 1.00 0.00 N ATOM 1083 CA ALA A 74 -0.896 -8.171 -7.488 1.00 0.00 C ATOM 1084 C ALA A 74 -0.957 -7.231 -8.687 1.00 0.00 C ATOM 1085 O ALA A 74 -1.813 -7.376 -9.559 1.00 0.00 O ATOM 1086 CB ALA A 74 -0.047 -9.391 -7.814 1.00 0.00 C ATOM 0 H ALA A 74 -2.377 -9.592 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.436 -7.631 -6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.948 -9.070 -8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.033 -10.025 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.513 -9.953 -8.623 1.00 0.00 H new ATOM 1092 N GLY A 75 -0.043 -6.266 -8.724 1.00 0.00 N ATOM 1093 CA GLY A 75 -0.012 -5.316 -9.820 1.00 0.00 C ATOM 1094 C GLY A 75 0.872 -4.120 -9.526 1.00 0.00 C ATOM 1095 O GLY A 75 2.074 -4.149 -9.787 1.00 0.00 O ATOM 0 H GLY A 75 0.676 -6.126 -8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.346 -5.816 -10.720 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.025 -4.973 -10.028 1.00 0.00 H new ATOM 1099 N GLU A 76 0.274 -3.064 -8.981 1.00 0.00 N ATOM 1100 CA GLU A 76 1.016 -1.852 -8.654 1.00 0.00 C ATOM 1101 C GLU A 76 0.143 -0.876 -7.870 1.00 0.00 C ATOM 1102 O GLU A 76 -0.831 -0.338 -8.395 1.00 0.00 O ATOM 1103 CB GLU A 76 1.530 -1.182 -9.930 1.00 0.00 C ATOM 1104 CG GLU A 76 2.165 0.177 -9.690 1.00 0.00 C ATOM 1105 CD GLU A 76 2.699 0.805 -10.963 1.00 0.00 C ATOM 1106 OE1 GLU A 76 3.684 0.275 -11.518 1.00 0.00 O ATOM 1107 OE2 GLU A 76 2.130 1.826 -11.404 1.00 0.00 O ATOM 0 H GLU A 76 -0.720 -3.024 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 76 1.866 -2.133 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.261 -1.836 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.702 -1.068 -10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.428 0.844 -9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.979 0.072 -8.972 1.00 0.00 H new ATOM 1114 N TYR A 77 0.501 -0.653 -6.610 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.250 0.255 -5.752 1.00 0.00 C ATOM 1116 C TYR A 77 0.384 1.643 -5.741 1.00 0.00 C ATOM 1117 O TYR A 77 1.577 1.795 -6.006 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.321 -0.297 -4.327 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.219 -1.506 -4.191 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -1.032 -2.628 -4.988 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.253 -1.525 -3.263 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -1.851 -3.734 -4.866 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.076 -2.628 -3.134 1.00 0.00 C ATOM 1124 CZ TYR A 77 -2.871 -3.730 -3.938 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.688 -4.830 -3.813 1.00 0.00 O ATOM 0 H TYR A 77 1.306 -1.089 -6.161 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.260 0.340 -6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.684 -0.562 -3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.678 0.487 -3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.233 -2.636 -5.715 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.416 -0.664 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.693 -4.598 -5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.875 -2.627 -2.408 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.355 -4.665 -3.114 1.00 0.00 H new ATOM 1135 N SER A 78 -0.423 2.653 -5.431 1.00 0.00 N ATOM 1136 CA SER A 78 0.057 4.029 -5.387 1.00 0.00 C ATOM 1137 C SER A 78 -0.575 4.788 -4.224 1.00 0.00 C ATOM 1138 O SER A 78 -1.746 4.586 -3.900 1.00 0.00 O ATOM 1139 CB SER A 78 -0.253 4.742 -6.705 1.00 0.00 C ATOM 1140 OG SER A 78 -0.264 3.828 -7.788 1.00 0.00 O ATOM 0 H SER A 78 -1.412 2.544 -5.207 1.00 0.00 H new ATOM 0 HA SER A 78 1.137 4.007 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.220 5.239 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.491 5.517 -6.887 1.00 0.00 H new ATOM 0 HG SER A 78 -0.466 4.307 -8.619 1.00 0.00 H new ATOM 1146 N CYS A 79 0.208 5.662 -3.601 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.273 6.451 -2.473 1.00 0.00 C ATOM 1148 C CYS A 79 -0.366 7.928 -2.844 1.00 0.00 C ATOM 1149 O CYS A 79 0.649 8.585 -3.078 1.00 0.00 O ATOM 1150 CB CYS A 79 0.650 6.272 -1.268 1.00 0.00 C ATOM 1151 SG CYS A 79 0.048 7.056 0.246 1.00 0.00 S ATOM 0 H CYS A 79 1.179 5.842 -3.858 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.270 6.097 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.786 5.206 -1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.631 6.681 -1.511 1.00 0.00 H new ATOM 0 HG CYS A 79 0.716 8.150 0.463 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.590 8.444 -2.897 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.815 9.843 -3.240 1.00 0.00 C ATOM 1159 C VAL A 80 -2.041 10.686 -1.990 1.00 0.00 C ATOM 1160 O VAL A 80 -2.887 10.362 -1.155 1.00 0.00 O ATOM 1161 CB VAL A 80 -3.026 10.003 -4.179 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -3.129 11.436 -4.678 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -2.928 9.029 -5.344 1.00 0.00 C ATOM 0 H VAL A 80 -2.441 7.914 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.918 10.191 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.932 9.773 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.990 11.530 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.249 12.109 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.222 11.697 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.791 9.155 -5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.015 9.225 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.907 8.008 -4.964 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.280 11.767 -1.867 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.397 12.658 -0.717 1.00 0.00 C ATOM 1175 C CYS A 81 -2.069 13.969 -1.111 1.00 0.00 C ATOM 1176 O CYS A 81 -2.805 14.562 -0.324 1.00 0.00 O ATOM 1177 CB CYS A 81 -0.017 12.937 -0.120 1.00 0.00 C ATOM 1178 SG CYS A 81 -0.060 13.595 1.564 1.00 0.00 S ATOM 0 H CYS A 81 -0.575 12.048 -2.549 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.016 12.165 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.562 12.013 -0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.508 13.644 -0.762 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.212 13.329 2.104 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.809 14.417 -2.336 1.00 0.00 N ATOM 1185 CA GLY A 82 -2.395 15.656 -2.812 1.00 0.00 C ATOM 1186 C GLY A 82 -1.948 16.007 -4.217 1.00 0.00 C ATOM 1187 O GLY A 82 -2.669 15.763 -5.183 1.00 0.00 O ATOM 0 H GLY A 82 -1.203 13.944 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.482 15.572 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.124 16.466 -2.135 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.754 16.582 -4.331 1.00 0.00 N ATOM 1192 CA GLU A 83 -0.214 16.968 -5.628 1.00 0.00 C ATOM 1193 C GLU A 83 0.729 15.896 -6.166 1.00 0.00 C ATOM 1194 O GLU A 83 0.908 15.763 -7.376 1.00 0.00 O ATOM 1195 CB GLU A 83 0.524 18.305 -5.521 1.00 0.00 C ATOM 1196 CG GLU A 83 -0.367 19.459 -5.092 1.00 0.00 C ATOM 1197 CD GLU A 83 0.350 20.794 -5.130 1.00 0.00 C ATOM 1198 OE1 GLU A 83 1.120 21.027 -6.086 1.00 0.00 O ATOM 1199 OE2 GLU A 83 0.142 21.607 -4.205 1.00 0.00 O ATOM 0 H GLU A 83 -0.144 16.790 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.048 17.076 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.341 18.203 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.971 18.542 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.240 19.501 -5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.732 19.275 -4.081 1.00 0.00 H new ATOM 1206 N GLU A 84 1.331 15.135 -5.257 1.00 0.00 N ATOM 1207 CA GLU A 84 2.257 14.076 -5.640 1.00 0.00 C ATOM 1208 C GLU A 84 1.673 12.702 -5.323 1.00 0.00 C ATOM 1209 O GLU A 84 0.681 12.589 -4.603 1.00 0.00 O ATOM 1210 CB GLU A 84 3.595 14.252 -4.920 1.00 0.00 C ATOM 1211 CG GLU A 84 3.453 14.672 -3.466 1.00 0.00 C ATOM 1212 CD GLU A 84 3.266 16.168 -3.307 1.00 0.00 C ATOM 1213 OE1 GLU A 84 3.886 16.930 -4.078 1.00 0.00 O ATOM 1214 OE2 GLU A 84 2.498 16.577 -2.410 1.00 0.00 O ATOM 0 H GLU A 84 1.194 15.232 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 84 2.420 14.143 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.149 13.314 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.187 14.999 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.602 14.154 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.339 14.360 -2.913 1.00 0.00 H new ATOM 1221 N ARG A 85 2.296 11.661 -5.865 1.00 0.00 N ATOM 1222 CA ARG A 85 1.839 10.295 -5.642 1.00 0.00 C ATOM 1223 C ARG A 85 2.910 9.289 -6.052 1.00 0.00 C ATOM 1224 O ARG A 85 3.481 9.380 -7.139 1.00 0.00 O ATOM 1225 CB ARG A 85 0.551 10.032 -6.425 1.00 0.00 C ATOM 1226 CG ARG A 85 0.072 8.592 -6.342 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.729 8.199 -7.573 1.00 0.00 C ATOM 1228 NE ARG A 85 0.129 7.725 -8.656 1.00 0.00 N ATOM 1229 CZ ARG A 85 -0.325 7.370 -9.852 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -1.623 7.435 -10.119 1.00 0.00 N ATOM 1231 NH2 ARG A 85 0.518 6.949 -10.786 1.00 0.00 N ATOM 0 H ARG A 85 3.119 11.738 -6.462 1.00 0.00 H new ATOM 0 HA ARG A 85 1.641 10.174 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.233 10.689 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.712 10.293 -7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.930 7.928 -6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.542 8.463 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.442 7.419 -7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.308 9.056 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 85 1.132 7.663 -8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.275 7.758 -9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.969 7.162 -11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.517 6.898 -10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.167 6.677 -11.704 1.00 0.00 H new ATOM 1245 N THR A 86 3.180 8.329 -5.173 1.00 0.00 N ATOM 1246 CA THR A 86 4.184 7.307 -5.441 1.00 0.00 C ATOM 1247 C THR A 86 3.531 5.975 -5.796 1.00 0.00 C ATOM 1248 O THR A 86 2.321 5.807 -5.647 1.00 0.00 O ATOM 1249 CB THR A 86 5.116 7.102 -4.232 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.232 6.287 -4.605 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.369 6.451 -3.077 1.00 0.00 C ATOM 0 H THR A 86 2.717 8.238 -4.269 1.00 0.00 H new ATOM 0 HA THR A 86 4.773 7.658 -6.288 1.00 0.00 H new ATOM 0 HB THR A 86 5.474 8.079 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.339 5.561 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.048 6.316 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.538 7.089 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.985 5.481 -3.393 1.00 0.00 H new ATOM 1259 N SER A 87 4.341 5.031 -6.265 1.00 0.00 N ATOM 1260 CA SER A 87 3.841 3.715 -6.644 1.00 0.00 C ATOM 1261 C SER A 87 4.816 2.621 -6.220 1.00 0.00 C ATOM 1262 O SER A 87 6.013 2.865 -6.070 1.00 0.00 O ATOM 1263 CB SER A 87 3.610 3.650 -8.155 1.00 0.00 C ATOM 1264 OG SER A 87 4.572 4.422 -8.853 1.00 0.00 O ATOM 0 H SER A 87 5.346 5.153 -6.391 1.00 0.00 H new ATOM 0 HA SER A 87 2.893 3.552 -6.131 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.659 2.614 -8.489 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.609 4.013 -8.389 1.00 0.00 H new ATOM 0 HG SER A 87 4.403 4.362 -9.816 1.00 0.00 H new ATOM 1270 N ALA A 88 4.295 1.414 -6.029 1.00 0.00 N ATOM 1271 CA ALA A 88 5.118 0.281 -5.624 1.00 0.00 C ATOM 1272 C ALA A 88 4.553 -1.029 -6.163 1.00 0.00 C ATOM 1273 O ALA A 88 3.463 -1.453 -5.776 1.00 0.00 O ATOM 1274 CB ALA A 88 5.231 0.226 -4.108 1.00 0.00 C ATOM 0 H ALA A 88 3.306 1.195 -6.148 1.00 0.00 H new ATOM 0 HA ALA A 88 6.113 0.417 -6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.848 -0.625 -3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.688 1.146 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.238 0.117 -3.673 1.00 0.00 H new ATOM 1280 N THR A 89 5.300 -1.667 -7.058 1.00 0.00 N ATOM 1281 CA THR A 89 4.872 -2.927 -7.652 1.00 0.00 C ATOM 1282 C THR A 89 4.691 -4.003 -6.587 1.00 0.00 C ATOM 1283 O THR A 89 5.582 -4.236 -5.768 1.00 0.00 O ATOM 1284 CB THR A 89 5.883 -3.426 -8.702 1.00 0.00 C ATOM 1285 OG1 THR A 89 6.114 -2.407 -9.682 1.00 0.00 O ATOM 1286 CG2 THR A 89 5.378 -4.688 -9.383 1.00 0.00 C ATOM 0 H THR A 89 6.205 -1.331 -7.388 1.00 0.00 H new ATOM 0 HA THR A 89 3.916 -2.737 -8.140 1.00 0.00 H new ATOM 0 HB THR A 89 6.818 -3.658 -8.193 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.759 -2.731 -10.345 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.109 -5.021 -10.120 1.00 0.00 H new ATOM 0 HG22 THR A 89 5.232 -5.470 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.431 -4.479 -9.880 1.00 0.00 H new ATOM 1294 N LEU A 90 3.535 -4.656 -6.603 1.00 0.00 N ATOM 1295 CA LEU A 90 3.237 -5.709 -5.638 1.00 0.00 C ATOM 1296 C LEU A 90 3.095 -7.060 -6.332 1.00 0.00 C ATOM 1297 O LEU A 90 2.226 -7.243 -7.185 1.00 0.00 O ATOM 1298 CB LEU A 90 1.955 -5.379 -4.872 1.00 0.00 C ATOM 1299 CG LEU A 90 1.392 -6.495 -3.992 1.00 0.00 C ATOM 1300 CD1 LEU A 90 2.128 -6.549 -2.662 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.101 -6.298 -3.771 1.00 0.00 C ATOM 0 H LEU A 90 2.788 -4.475 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 90 4.068 -5.768 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.145 -4.509 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.189 -5.091 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 90 1.541 -7.446 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.713 -7.349 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.187 -6.739 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.012 -5.597 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.485 -7.102 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.273 -5.340 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.616 -6.311 -4.732 1.00 0.00 H new ATOM 1313 N THR A 91 3.953 -8.004 -5.960 1.00 0.00 N ATOM 1314 CA THR A 91 3.923 -9.338 -6.546 1.00 0.00 C ATOM 1315 C THR A 91 3.307 -10.347 -5.583 1.00 0.00 C ATOM 1316 O THR A 91 3.663 -10.394 -4.405 1.00 0.00 O ATOM 1317 CB THR A 91 5.335 -9.813 -6.935 1.00 0.00 C ATOM 1318 OG1 THR A 91 5.824 -9.043 -8.039 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.328 -11.289 -7.304 1.00 0.00 C ATOM 0 H THR A 91 4.678 -7.869 -5.255 1.00 0.00 H new ATOM 0 HA THR A 91 3.309 -9.275 -7.444 1.00 0.00 H new ATOM 0 HB THR A 91 5.991 -9.673 -6.075 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.723 -9.350 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.337 -11.601 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.983 -11.875 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.659 -11.450 -8.149 1.00 0.00 H new ATOM 1327 N VAL A 92 2.382 -11.155 -6.092 1.00 0.00 N ATOM 1328 CA VAL A 92 1.718 -12.166 -5.277 1.00 0.00 C ATOM 1329 C VAL A 92 2.160 -13.570 -5.674 1.00 0.00 C ATOM 1330 O VAL A 92 2.629 -13.793 -6.791 1.00 0.00 O ATOM 1331 CB VAL A 92 0.186 -12.068 -5.399 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.479 -13.286 -4.777 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.319 -10.786 -4.754 1.00 0.00 C ATOM 0 H VAL A 92 2.076 -11.129 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 92 2.005 -11.977 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.076 -12.043 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.561 -13.198 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.141 -14.187 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.212 -13.347 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.404 -10.733 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.047 -10.778 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.131 -9.927 -5.251 1.00 0.00 H new ATOM 1343 N LYS A 93 2.007 -14.515 -4.753 1.00 0.00 N ATOM 1344 CA LYS A 93 2.389 -15.900 -5.006 1.00 0.00 C ATOM 1345 C LYS A 93 1.172 -16.817 -4.954 1.00 0.00 C ATOM 1346 O LYS A 93 0.058 -16.371 -4.680 1.00 0.00 O ATOM 1347 CB LYS A 93 3.431 -16.358 -3.984 1.00 0.00 C ATOM 1348 CG LYS A 93 4.680 -15.493 -3.959 1.00 0.00 C ATOM 1349 CD LYS A 93 5.516 -15.684 -5.213 1.00 0.00 C ATOM 1350 CE LYS A 93 5.140 -14.680 -6.292 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.308 -14.313 -7.139 1.00 0.00 N ATOM 0 H LYS A 93 1.621 -14.347 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 93 2.821 -15.955 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.979 -16.358 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.716 -17.387 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.396 -14.445 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.277 -15.740 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.572 -15.577 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.378 -16.696 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.354 -15.099 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.732 -13.782 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.976 -13.823 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.941 -13.685 -6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.824 -15.174 -7.411 1.00 0.00 H new ATOM 1365 N ALA A 94 1.393 -18.101 -5.216 1.00 0.00 N ATOM 1366 CA ALA A 94 0.314 -19.082 -5.195 1.00 0.00 C ATOM 1367 C ALA A 94 0.455 -20.026 -4.006 1.00 0.00 C ATOM 1368 O ALA A 94 1.231 -20.982 -4.047 1.00 0.00 O ATOM 1369 CB ALA A 94 0.291 -19.869 -6.497 1.00 0.00 C ATOM 0 H ALA A 94 2.309 -18.486 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.630 -18.547 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.519 -20.598 -6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.135 -19.186 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.241 -20.388 -6.625 1.00 0.00 H new ATOM 1375 N LEU A 95 -0.301 -19.754 -2.947 1.00 0.00 N ATOM 1376 CA LEU A 95 -0.260 -20.580 -1.745 1.00 0.00 C ATOM 1377 C LEU A 95 -0.475 -22.050 -2.088 1.00 0.00 C ATOM 1378 O LEU A 95 -1.274 -22.401 -2.956 1.00 0.00 O ATOM 1379 CB LEU A 95 -1.323 -20.116 -0.748 1.00 0.00 C ATOM 1380 CG LEU A 95 -2.737 -20.653 -0.976 1.00 0.00 C ATOM 1381 CD1 LEU A 95 -2.832 -22.107 -0.541 1.00 0.00 C ATOM 1382 CD2 LEU A 95 -3.757 -19.804 -0.231 1.00 0.00 C ATOM 0 H LEU A 95 -0.949 -18.968 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 95 0.726 -20.472 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.004 -20.404 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.362 -19.027 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.958 -20.599 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.845 -22.472 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.129 -22.706 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.590 -22.186 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.757 -20.201 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.538 -19.826 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.707 -18.776 -0.591 1.00 0.00 H new ATOM 1394 N PRO A 96 0.254 -22.933 -1.389 1.00 0.00 N ATOM 1395 CA PRO A 96 0.159 -24.381 -1.599 1.00 0.00 C ATOM 1396 C PRO A 96 -1.171 -24.950 -1.119 1.00 0.00 C ATOM 1397 O PRO A 96 -1.343 -25.237 0.066 1.00 0.00 O ATOM 1398 CB PRO A 96 1.313 -24.938 -0.761 1.00 0.00 C ATOM 1399 CG PRO A 96 1.543 -23.913 0.295 1.00 0.00 C ATOM 1400 CD PRO A 96 1.227 -22.586 -0.339 1.00 0.00 C ATOM 0 HA PRO A 96 0.216 -24.644 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.056 -25.904 -0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.206 -25.089 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.905 -24.094 1.160 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.574 -23.941 0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.807 -21.886 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.118 -22.117 -0.756 1.00 0.00 H new ATOM 1408 N SER A 97 -2.110 -25.112 -2.046 1.00 0.00 N ATOM 1409 CA SER A 97 -3.427 -25.645 -1.715 1.00 0.00 C ATOM 1410 C SER A 97 -3.487 -27.147 -1.977 1.00 0.00 C ATOM 1411 O SER A 97 -2.638 -27.701 -2.674 1.00 0.00 O ATOM 1412 CB SER A 97 -4.508 -24.930 -2.529 1.00 0.00 C ATOM 1413 OG SER A 97 -4.534 -25.400 -3.866 1.00 0.00 O ATOM 0 H SER A 97 -1.984 -24.882 -3.032 1.00 0.00 H new ATOM 0 HA SER A 97 -3.606 -25.472 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.482 -25.089 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.323 -23.856 -2.521 1.00 0.00 H new ATOM 0 HG SER A 97 -5.234 -24.929 -4.365 1.00 0.00 H new ATOM 1419 N GLY A 98 -4.498 -27.800 -1.412 1.00 0.00 N ATOM 1420 CA GLY A 98 -4.651 -29.231 -1.595 1.00 0.00 C ATOM 1421 C GLY A 98 -4.155 -30.025 -0.403 1.00 0.00 C ATOM 1422 O GLY A 98 -4.644 -29.873 0.717 1.00 0.00 O ATOM 0 H GLY A 98 -5.214 -27.363 -0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.702 -29.461 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.105 -29.540 -2.486 1.00 0.00 H new ATOM 1426 N PRO A 99 -3.163 -30.896 -0.637 1.00 0.00 N ATOM 1427 CA PRO A 99 -2.580 -31.734 0.414 1.00 0.00 C ATOM 1428 C PRO A 99 -1.764 -30.924 1.416 1.00 0.00 C ATOM 1429 O PRO A 99 -1.380 -29.787 1.143 1.00 0.00 O ATOM 1430 CB PRO A 99 -1.675 -32.696 -0.359 1.00 0.00 C ATOM 1431 CG PRO A 99 -1.330 -31.967 -1.612 1.00 0.00 C ATOM 1432 CD PRO A 99 -2.533 -31.129 -1.948 1.00 0.00 C ATOM 0 HA PRO A 99 -3.346 -32.233 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.781 -32.945 0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.187 -33.634 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.447 -31.343 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -1.102 -32.664 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -2.249 -30.193 -2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.206 -31.648 -2.631 1.00 0.00 H new ATOM 1440 N SER A 100 -1.503 -31.517 2.576 1.00 0.00 N ATOM 1441 CA SER A 100 -0.735 -30.849 3.620 1.00 0.00 C ATOM 1442 C SER A 100 0.758 -30.891 3.308 1.00 0.00 C ATOM 1443 O SER A 100 1.380 -31.953 3.339 1.00 0.00 O ATOM 1444 CB SER A 100 -1.002 -31.503 4.977 1.00 0.00 C ATOM 1445 OG SER A 100 -2.349 -31.320 5.375 1.00 0.00 O ATOM 0 H SER A 100 -1.812 -32.459 2.817 1.00 0.00 H new ATOM 0 HA SER A 100 -1.051 -29.807 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.778 -32.568 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.337 -31.076 5.727 1.00 0.00 H new ATOM 0 HG SER A 100 -2.494 -31.749 6.244 1.00 0.00 H new ATOM 1451 N SER A 101 1.326 -29.728 3.007 1.00 0.00 N ATOM 1452 CA SER A 101 2.745 -29.631 2.684 1.00 0.00 C ATOM 1453 C SER A 101 3.576 -29.425 3.947 1.00 0.00 C ATOM 1454 O SER A 101 3.101 -28.860 4.931 1.00 0.00 O ATOM 1455 CB SER A 101 2.990 -28.481 1.705 1.00 0.00 C ATOM 1456 OG SER A 101 4.106 -28.748 0.874 1.00 0.00 O ATOM 0 H SER A 101 0.826 -28.840 2.980 1.00 0.00 H new ATOM 0 HA SER A 101 3.051 -30.567 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.103 -28.328 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.158 -27.557 2.259 1.00 0.00 H new ATOM 0 HG SER A 101 4.241 -27.999 0.256 1.00 0.00 H new ATOM 1462 N GLY A 102 4.822 -29.888 3.910 1.00 0.00 N ATOM 1463 CA GLY A 102 5.700 -29.745 5.056 1.00 0.00 C ATOM 1464 C GLY A 102 6.992 -30.522 4.897 1.00 0.00 C ATOM 1465 O GLY A 102 7.900 -30.405 5.720 1.00 0.00 O ATOM 0 H GLY A 102 5.238 -30.359 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.930 -28.690 5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.182 -30.087 5.952 1.00 0.00 H new TER 1469 GLY A 102