USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 668 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 59 THR OG1 : rot 180:sc= -0.978 USER MOD Set 1.2: A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0867 (180deg=-0.183) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc=-0.00761 X(o=-0.0076,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= 0.381 (180deg=-0.0727) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.153) USER MOD Single : A 17 HIS : no HD1:sc= -4.7 K(o=-4.7,f=-5.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0417 (180deg=-0.363) USER MOD Single : A 28 SER OG : rot -125:sc= -1.01 USER MOD Single : A 29 CYS SG : rot 144:sc= -0.0498 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot -47:sc= -1.13 USER MOD Single : A 41 GLN : amide:sc= 0.165 K(o=0.17,f=-2) USER MOD Single : A 44 MET CE :methyl 145:sc= -0.541 (180deg=-2.29!) USER MOD Single : A 47 SER OG : rot -166:sc= -0.972 USER MOD Single : A 50 CYS SG : rot 20:sc= -1.81! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 68 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 84.283 -12.593 4.980 1.00 0.00 N ATOM 2 CA MET A 1 84.613 -11.328 5.695 1.00 0.00 C ATOM 3 C MET A 1 85.494 -10.437 4.814 1.00 0.00 C ATOM 4 O MET A 1 85.606 -9.247 5.032 1.00 0.00 O ATOM 5 CB MET A 1 85.378 -11.768 6.945 1.00 0.00 C ATOM 6 CG MET A 1 84.462 -11.668 8.165 1.00 0.00 C ATOM 7 SD MET A 1 84.531 -9.986 8.831 1.00 0.00 S ATOM 8 CE MET A 1 83.125 -10.127 9.963 1.00 0.00 C ATOM 0 H1 MET A 1 83.566 -13.120 5.519 1.00 0.00 H new ATOM 0 H2 MET A 1 83.911 -12.371 4.035 1.00 0.00 H new ATOM 0 H3 MET A 1 85.141 -13.173 4.887 1.00 0.00 H new ATOM 0 HA MET A 1 83.723 -10.750 5.943 1.00 0.00 H new ATOM 0 HB2 MET A 1 85.732 -12.792 6.826 1.00 0.00 H new ATOM 0 HB3 MET A 1 86.258 -11.141 7.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 83.438 -11.919 7.887 1.00 0.00 H new ATOM 0 HG3 MET A 1 84.771 -12.385 8.925 1.00 0.00 H new ATOM 0 HE1 MET A 1 82.985 -9.182 10.489 1.00 0.00 H new ATOM 0 HE2 MET A 1 82.224 -10.364 9.397 1.00 0.00 H new ATOM 0 HE3 MET A 1 83.318 -10.919 10.686 1.00 0.00 H new ATOM 18 N CYS A 2 86.120 -11.005 3.821 1.00 0.00 N ATOM 19 CA CYS A 2 86.995 -10.196 2.924 1.00 0.00 C ATOM 20 C CYS A 2 86.218 -9.005 2.355 1.00 0.00 C ATOM 21 O CYS A 2 85.032 -9.087 2.105 1.00 0.00 O ATOM 22 CB CYS A 2 87.403 -11.152 1.804 1.00 0.00 C ATOM 23 SG CYS A 2 89.199 -11.376 1.828 1.00 0.00 S ATOM 0 H CYS A 2 86.064 -11.997 3.591 1.00 0.00 H new ATOM 0 HA CYS A 2 87.859 -9.788 3.449 1.00 0.00 H new ATOM 0 HB2 CYS A 2 86.904 -12.113 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 2 87.088 -10.755 0.839 1.00 0.00 H new ATOM 0 HG CYS A 2 89.547 -12.191 0.877 1.00 0.00 H new ATOM 29 N ALA A 3 86.880 -7.900 2.147 1.00 0.00 N ATOM 30 CA ALA A 3 86.181 -6.704 1.594 1.00 0.00 C ATOM 31 C ALA A 3 86.833 -6.273 0.275 1.00 0.00 C ATOM 32 O ALA A 3 87.479 -5.247 0.198 1.00 0.00 O ATOM 33 CB ALA A 3 86.354 -5.619 2.657 1.00 0.00 C ATOM 0 H ALA A 3 87.874 -7.773 2.336 1.00 0.00 H new ATOM 0 HA ALA A 3 85.131 -6.901 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 3 85.866 -4.703 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 3 85.904 -5.951 3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 3 87.416 -5.428 2.813 1.00 0.00 H new ATOM 39 N VAL A 4 86.668 -7.050 -0.761 1.00 0.00 N ATOM 40 CA VAL A 4 87.279 -6.682 -2.072 1.00 0.00 C ATOM 41 C VAL A 4 86.269 -5.908 -2.925 1.00 0.00 C ATOM 42 O VAL A 4 85.275 -6.448 -3.367 1.00 0.00 O ATOM 43 CB VAL A 4 87.628 -8.015 -2.735 1.00 0.00 C ATOM 44 CG1 VAL A 4 88.367 -7.754 -4.049 1.00 0.00 C ATOM 45 CG2 VAL A 4 88.525 -8.831 -1.801 1.00 0.00 C ATOM 0 H VAL A 4 86.138 -7.922 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 4 88.155 -6.043 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 4 86.712 -8.570 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 4 88.616 -8.704 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 4 87.730 -7.173 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 4 89.283 -7.198 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 4 88.774 -9.781 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 4 89.441 -8.276 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 4 88.000 -9.018 -0.864 1.00 0.00 H new ATOM 55 N LEU A 5 86.517 -4.648 -3.159 1.00 0.00 N ATOM 56 CA LEU A 5 85.570 -3.845 -3.984 1.00 0.00 C ATOM 57 C LEU A 5 86.253 -2.569 -4.483 1.00 0.00 C ATOM 58 O LEU A 5 86.693 -1.743 -3.708 1.00 0.00 O ATOM 59 CB LEU A 5 84.416 -3.503 -3.040 1.00 0.00 C ATOM 60 CG LEU A 5 83.134 -4.168 -3.541 1.00 0.00 C ATOM 61 CD1 LEU A 5 82.102 -4.206 -2.413 1.00 0.00 C ATOM 62 CD2 LEU A 5 82.572 -3.367 -4.717 1.00 0.00 C ATOM 0 H LEU A 5 87.333 -4.141 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 5 85.228 -4.386 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 5 84.645 -3.844 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 5 84.282 -2.422 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 5 83.356 -5.185 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 5 81.188 -4.680 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 5 82.501 -4.775 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 5 81.880 -3.189 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 5 81.658 -3.840 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 5 82.351 -2.350 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 5 83.306 -3.339 -5.522 1.00 0.00 H new ATOM 74 N ARG A 6 86.345 -2.400 -5.775 1.00 0.00 N ATOM 75 CA ARG A 6 87.000 -1.177 -6.322 1.00 0.00 C ATOM 76 C ARG A 6 85.953 -0.105 -6.621 1.00 0.00 C ATOM 77 O ARG A 6 86.012 0.573 -7.627 1.00 0.00 O ATOM 78 CB ARG A 6 87.688 -1.634 -7.609 1.00 0.00 C ATOM 79 CG ARG A 6 88.543 -2.869 -7.322 1.00 0.00 C ATOM 80 CD ARG A 6 89.810 -2.452 -6.574 1.00 0.00 C ATOM 81 NE ARG A 6 90.920 -3.144 -7.282 1.00 0.00 N ATOM 82 CZ ARG A 6 91.286 -4.340 -6.911 1.00 0.00 C ATOM 83 NH1 ARG A 6 90.590 -5.380 -7.279 1.00 0.00 N ATOM 84 NH2 ARG A 6 92.351 -4.497 -6.172 1.00 0.00 N ATOM 0 H ARG A 6 85.995 -3.055 -6.474 1.00 0.00 H new ATOM 0 HA ARG A 6 87.708 -0.739 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 6 86.942 -1.864 -8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 6 88.311 -0.832 -8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 6 87.977 -3.586 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 6 88.806 -3.367 -8.255 1.00 0.00 H new ATOM 0 HD2 ARG A 6 89.942 -1.370 -6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 6 89.765 -2.748 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 6 91.395 -2.683 -8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 6 89.759 -5.259 -7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 6 90.877 -6.315 -6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 6 92.897 -3.685 -5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 6 92.637 -5.432 -5.882 1.00 0.00 H new ATOM 98 N GLN A 7 84.998 0.053 -5.748 1.00 0.00 N ATOM 99 CA GLN A 7 83.939 1.082 -5.965 1.00 0.00 C ATOM 100 C GLN A 7 82.858 0.956 -4.888 1.00 0.00 C ATOM 101 O GLN A 7 82.240 -0.080 -4.748 1.00 0.00 O ATOM 102 CB GLN A 7 83.354 0.775 -7.345 1.00 0.00 C ATOM 103 CG GLN A 7 83.094 -0.726 -7.472 1.00 0.00 C ATOM 104 CD GLN A 7 82.116 -0.975 -8.621 1.00 0.00 C ATOM 105 OE1 GLN A 7 81.156 -1.703 -8.471 1.00 0.00 O ATOM 106 NE2 GLN A 7 82.323 -0.395 -9.772 1.00 0.00 N ATOM 0 H GLN A 7 84.904 -0.488 -4.889 1.00 0.00 H new ATOM 0 HA GLN A 7 84.334 2.096 -5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 7 82.426 1.328 -7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 7 84.043 1.102 -8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 7 84.030 -1.254 -7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 7 82.685 -1.116 -6.540 1.00 0.00 H new ATOM 0 HE21 GLN A 7 83.130 0.216 -9.897 1.00 0.00 H new ATOM 0 HE22 GLN A 7 81.678 -0.553 -10.546 1.00 0.00 H new ATOM 115 N PRO A 8 82.668 2.021 -4.156 1.00 0.00 N ATOM 116 CA PRO A 8 81.653 2.030 -3.074 1.00 0.00 C ATOM 117 C PRO A 8 80.239 2.085 -3.660 1.00 0.00 C ATOM 118 O PRO A 8 79.975 2.801 -4.606 1.00 0.00 O ATOM 119 CB PRO A 8 81.969 3.303 -2.297 1.00 0.00 C ATOM 120 CG PRO A 8 82.665 4.195 -3.277 1.00 0.00 C ATOM 121 CD PRO A 8 83.374 3.303 -4.263 1.00 0.00 C ATOM 0 HA PRO A 8 81.686 1.136 -2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 8 81.060 3.769 -1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.603 3.092 -1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 8 81.949 4.840 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.375 4.847 -2.768 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.320 3.705 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.431 3.198 -4.018 1.00 0.00 H new ATOM 129 N LYS A 9 79.330 1.334 -3.103 1.00 0.00 N ATOM 130 CA LYS A 9 77.933 1.341 -3.621 1.00 0.00 C ATOM 131 C LYS A 9 77.102 2.394 -2.881 1.00 0.00 C ATOM 132 O LYS A 9 77.214 2.554 -1.682 1.00 0.00 O ATOM 133 CB LYS A 9 77.402 -0.064 -3.334 1.00 0.00 C ATOM 134 CG LYS A 9 76.680 -0.601 -4.570 1.00 0.00 C ATOM 135 CD LYS A 9 75.171 -0.586 -4.324 1.00 0.00 C ATOM 136 CE LYS A 9 74.787 -1.765 -3.427 1.00 0.00 C ATOM 137 NZ LYS A 9 74.861 -2.962 -4.310 1.00 0.00 N ATOM 0 H LYS A 9 79.495 0.714 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 9 77.883 1.587 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 9 78.224 -0.727 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.720 -0.040 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 9 76.924 0.008 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 9 77.014 -1.616 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 9 74.878 0.353 -3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 9 74.637 -0.648 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.469 -1.856 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 9 73.785 -1.639 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 74.237 -3.707 -3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 74.558 -2.704 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 75.840 -3.312 -4.339 1.00 0.00 H new ATOM 151 N CYS A 10 76.271 3.116 -3.582 1.00 0.00 N ATOM 152 CA CYS A 10 75.441 4.157 -2.910 1.00 0.00 C ATOM 153 C CYS A 10 73.956 3.797 -3.001 1.00 0.00 C ATOM 154 O CYS A 10 73.514 3.171 -3.944 1.00 0.00 O ATOM 155 CB CYS A 10 75.727 5.449 -3.677 1.00 0.00 C ATOM 156 SG CYS A 10 77.459 5.917 -3.441 1.00 0.00 S ATOM 0 H CYS A 10 76.131 3.031 -4.589 1.00 0.00 H new ATOM 0 HA CYS A 10 75.678 4.250 -1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 10 75.518 5.309 -4.738 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.072 6.246 -3.325 1.00 0.00 H new ATOM 0 HG CYS A 10 77.705 7.014 -4.094 1.00 0.00 H new ATOM 162 N VAL A 11 73.183 4.191 -2.026 1.00 0.00 N ATOM 163 CA VAL A 11 71.725 3.875 -2.050 1.00 0.00 C ATOM 164 C VAL A 11 70.925 5.043 -1.470 1.00 0.00 C ATOM 165 O VAL A 11 71.372 5.728 -0.571 1.00 0.00 O ATOM 166 CB VAL A 11 71.573 2.639 -1.162 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.554 1.556 -1.615 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.871 3.024 0.289 1.00 0.00 C ATOM 0 H VAL A 11 73.498 4.719 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 11 71.357 3.702 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 11 70.555 2.256 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.444 0.677 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.345 1.285 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.574 1.933 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.764 2.147 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.890 3.405 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.171 3.795 0.612 1.00 0.00 H new ATOM 178 N LYS A 12 69.741 5.272 -1.967 1.00 0.00 N ATOM 179 CA LYS A 12 68.915 6.391 -1.433 1.00 0.00 C ATOM 180 C LYS A 12 67.795 5.833 -0.553 1.00 0.00 C ATOM 181 O LYS A 12 66.728 5.495 -1.027 1.00 0.00 O ATOM 182 CB LYS A 12 68.336 7.084 -2.666 1.00 0.00 C ATOM 183 CG LYS A 12 69.452 7.826 -3.407 1.00 0.00 C ATOM 184 CD LYS A 12 69.728 9.161 -2.712 1.00 0.00 C ATOM 185 CE LYS A 12 71.237 9.353 -2.558 1.00 0.00 C ATOM 186 NZ LYS A 12 71.734 9.606 -3.939 1.00 0.00 N ATOM 0 H LYS A 12 69.310 4.734 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 12 69.494 7.081 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.873 6.350 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.554 7.783 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.357 7.219 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 12 69.163 7.997 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 12 69.304 9.980 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 12 69.246 9.181 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 12 71.463 10.190 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.706 8.469 -2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 72.345 8.819 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 70.927 9.683 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.278 10.492 -3.955 1.00 0.00 H new ATOM 200 N LEU A 13 68.032 5.724 0.725 1.00 0.00 N ATOM 201 CA LEU A 13 66.986 5.176 1.634 1.00 0.00 C ATOM 202 C LEU A 13 65.862 6.197 1.847 1.00 0.00 C ATOM 203 O LEU A 13 65.964 7.086 2.667 1.00 0.00 O ATOM 204 CB LEU A 13 67.713 4.891 2.948 1.00 0.00 C ATOM 205 CG LEU A 13 67.364 3.482 3.428 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.166 2.454 2.627 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.708 3.349 4.913 1.00 0.00 C ATOM 0 H LEU A 13 68.905 5.991 1.180 1.00 0.00 H new ATOM 0 HA LEU A 13 66.517 4.282 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.790 4.983 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.426 5.625 3.701 1.00 0.00 H new ATOM 0 HG LEU A 13 66.298 3.304 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 13 67.916 1.450 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 13 67.922 2.547 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.232 2.632 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.459 2.345 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.773 3.528 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.137 4.080 5.486 1.00 0.00 H new ATOM 219 N ARG A 14 64.788 6.063 1.120 1.00 0.00 N ATOM 220 CA ARG A 14 63.646 7.009 1.281 1.00 0.00 C ATOM 221 C ARG A 14 62.626 6.406 2.250 1.00 0.00 C ATOM 222 O ARG A 14 62.564 5.206 2.427 1.00 0.00 O ATOM 223 CB ARG A 14 63.060 7.155 -0.131 1.00 0.00 C ATOM 224 CG ARG A 14 61.582 7.557 -0.062 1.00 0.00 C ATOM 225 CD ARG A 14 61.460 9.002 0.425 1.00 0.00 C ATOM 226 NE ARG A 14 60.069 9.114 0.945 1.00 0.00 N ATOM 227 CZ ARG A 14 59.377 10.200 0.729 1.00 0.00 C ATOM 228 NH1 ARG A 14 59.446 11.195 1.570 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.618 10.290 -0.330 1.00 0.00 N ATOM 0 H ARG A 14 64.651 5.336 0.418 1.00 0.00 H new ATOM 0 HA ARG A 14 63.939 7.976 1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.621 7.905 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.162 6.214 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.122 7.455 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.045 6.890 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.192 9.220 1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.637 9.709 -0.386 1.00 0.00 H new ATOM 0 HE ARG A 14 59.657 8.343 1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 14 60.040 11.124 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 14 58.906 12.044 1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.566 9.512 -0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.077 11.138 -0.499 1.00 0.00 H new ATOM 243 N ALA A 15 61.832 7.218 2.890 1.00 0.00 N ATOM 244 CA ALA A 15 60.834 6.660 3.848 1.00 0.00 C ATOM 245 C ALA A 15 59.499 7.402 3.737 1.00 0.00 C ATOM 246 O ALA A 15 59.425 8.600 3.924 1.00 0.00 O ATOM 247 CB ALA A 15 61.453 6.874 5.229 1.00 0.00 C ATOM 0 H ALA A 15 61.829 8.233 2.794 1.00 0.00 H new ATOM 0 HA ALA A 15 60.621 5.610 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.778 6.489 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.405 6.347 5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.617 7.939 5.393 1.00 0.00 H new ATOM 253 N LEU A 16 58.441 6.695 3.438 1.00 0.00 N ATOM 254 CA LEU A 16 57.109 7.351 3.321 1.00 0.00 C ATOM 255 C LEU A 16 56.670 7.900 4.681 1.00 0.00 C ATOM 256 O LEU A 16 55.842 8.785 4.768 1.00 0.00 O ATOM 257 CB LEU A 16 56.163 6.242 2.859 1.00 0.00 C ATOM 258 CG LEU A 16 55.673 6.549 1.445 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.673 5.267 0.612 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.252 7.113 1.512 1.00 0.00 C ATOM 0 H LEU A 16 58.444 5.689 3.270 1.00 0.00 H new ATOM 0 HA LEU A 16 57.121 8.192 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.676 5.280 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.316 6.164 3.540 1.00 0.00 H new ATOM 0 HG LEU A 16 56.336 7.280 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 16 55.323 5.488 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 16 56.685 4.864 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.011 4.534 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 16 53.900 7.333 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.591 6.380 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 16 54.251 8.028 2.104 1.00 0.00 H new ATOM 272 N HIS A 17 57.224 7.384 5.745 1.00 0.00 N ATOM 273 CA HIS A 17 56.843 7.878 7.099 1.00 0.00 C ATOM 274 C HIS A 17 57.571 9.190 7.398 1.00 0.00 C ATOM 275 O HIS A 17 57.423 9.768 8.456 1.00 0.00 O ATOM 276 CB HIS A 17 57.301 6.783 8.063 1.00 0.00 C ATOM 277 CG HIS A 17 56.157 6.387 8.956 1.00 0.00 C ATOM 278 ND1 HIS A 17 55.853 5.061 9.222 1.00 0.00 N ATOM 279 CD2 HIS A 17 55.235 7.130 9.653 1.00 0.00 C ATOM 280 CE1 HIS A 17 54.789 5.046 10.046 1.00 0.00 C ATOM 281 NE2 HIS A 17 54.372 6.281 10.340 1.00 0.00 N ATOM 0 H HIS A 17 57.924 6.642 5.735 1.00 0.00 H new ATOM 0 HA HIS A 17 55.774 8.075 7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 17 57.656 5.917 7.504 1.00 0.00 H new ATOM 0 HB3 HIS A 17 58.138 7.140 8.663 1.00 0.00 H new ATOM 0 HD2 HIS A 17 55.187 8.209 9.666 1.00 0.00 H new ATOM 0 HE1 HIS A 17 54.328 4.145 10.424 1.00 0.00 H new ATOM 0 HE2 HIS A 17 53.590 6.545 10.939 1.00 0.00 H new ATOM 289 N SER A 18 58.359 9.664 6.469 1.00 0.00 N ATOM 290 CA SER A 18 59.098 10.937 6.695 1.00 0.00 C ATOM 291 C SER A 18 58.924 11.865 5.492 1.00 0.00 C ATOM 292 O SER A 18 58.031 11.693 4.687 1.00 0.00 O ATOM 293 CB SER A 18 60.561 10.521 6.844 1.00 0.00 C ATOM 294 OG SER A 18 61.034 10.919 8.123 1.00 0.00 O ATOM 0 H SER A 18 58.522 9.223 5.564 1.00 0.00 H new ATOM 0 HA SER A 18 58.737 11.478 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.658 9.442 6.727 1.00 0.00 H new ATOM 0 HB3 SER A 18 61.164 10.982 6.061 1.00 0.00 H new ATOM 0 HG SER A 18 61.972 10.652 8.223 1.00 0.00 H new ATOM 300 N ALA A 19 59.771 12.849 5.365 1.00 0.00 N ATOM 301 CA ALA A 19 59.653 13.788 4.213 1.00 0.00 C ATOM 302 C ALA A 19 60.957 13.810 3.414 1.00 0.00 C ATOM 303 O ALA A 19 61.293 14.794 2.785 1.00 0.00 O ATOM 304 CB ALA A 19 59.391 15.154 4.845 1.00 0.00 C ATOM 0 H ALA A 19 60.539 13.044 6.008 1.00 0.00 H new ATOM 0 HA ALA A 19 58.862 13.498 3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.291 15.905 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.471 15.115 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 19 60.223 15.419 5.497 1.00 0.00 H new ATOM 310 N CYS A 20 61.697 12.734 3.433 1.00 0.00 N ATOM 311 CA CYS A 20 62.978 12.703 2.672 1.00 0.00 C ATOM 312 C CYS A 20 63.558 11.285 2.649 1.00 0.00 C ATOM 313 O CYS A 20 62.871 10.312 2.896 1.00 0.00 O ATOM 314 CB CYS A 20 63.910 13.645 3.435 1.00 0.00 C ATOM 315 SG CYS A 20 63.893 13.218 5.194 1.00 0.00 S ATOM 0 H CYS A 20 61.471 11.879 3.941 1.00 0.00 H new ATOM 0 HA CYS A 20 62.844 13.004 1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 20 64.924 13.569 3.041 1.00 0.00 H new ATOM 0 HB3 CYS A 20 63.592 14.678 3.298 1.00 0.00 H new ATOM 0 HG CYS A 20 64.687 14.017 5.842 1.00 0.00 H new ATOM 321 N LYS A 21 64.824 11.169 2.354 1.00 0.00 N ATOM 322 CA LYS A 21 65.466 9.825 2.312 1.00 0.00 C ATOM 323 C LYS A 21 66.860 9.899 2.940 1.00 0.00 C ATOM 324 O LYS A 21 67.220 10.882 3.554 1.00 0.00 O ATOM 325 CB LYS A 21 65.560 9.478 0.825 1.00 0.00 C ATOM 326 CG LYS A 21 66.486 10.476 0.127 1.00 0.00 C ATOM 327 CD LYS A 21 65.686 11.291 -0.892 1.00 0.00 C ATOM 328 CE LYS A 21 65.048 10.348 -1.914 1.00 0.00 C ATOM 329 NZ LYS A 21 63.625 10.780 -2.000 1.00 0.00 N ATOM 0 H LYS A 21 65.443 11.950 2.139 1.00 0.00 H new ATOM 0 HA LYS A 21 64.904 9.073 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.940 8.464 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.570 9.505 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.942 11.140 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.298 9.947 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.914 11.870 -0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 21 66.339 12.003 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 21 65.542 10.423 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.127 9.309 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 63.063 10.035 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 63.256 10.953 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 63.561 11.655 -2.559 1.00 0.00 H new ATOM 343 N PHE A 22 67.647 8.869 2.793 1.00 0.00 N ATOM 344 CA PHE A 22 69.015 8.894 3.386 1.00 0.00 C ATOM 345 C PHE A 22 70.039 8.353 2.385 1.00 0.00 C ATOM 346 O PHE A 22 70.376 7.185 2.398 1.00 0.00 O ATOM 347 CB PHE A 22 68.935 7.983 4.612 1.00 0.00 C ATOM 348 CG PHE A 22 70.328 7.719 5.131 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.330 8.684 4.970 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.618 6.509 5.773 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.622 8.438 5.450 1.00 0.00 C ATOM 352 CE2 PHE A 22 71.910 6.263 6.253 1.00 0.00 C ATOM 353 CZ PHE A 22 72.912 7.229 6.093 1.00 0.00 C ATOM 0 H PHE A 22 67.404 8.015 2.291 1.00 0.00 H new ATOM 0 HA PHE A 22 69.330 9.904 3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.328 8.451 5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.448 7.044 4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 22 71.106 9.618 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 22 69.845 5.765 5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.395 9.181 5.324 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.134 5.329 6.746 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.908 7.041 6.466 1.00 0.00 H new ATOM 363 N GLY A 23 70.541 9.193 1.523 1.00 0.00 N ATOM 364 CA GLY A 23 71.546 8.723 0.529 1.00 0.00 C ATOM 365 C GLY A 23 72.812 8.283 1.265 1.00 0.00 C ATOM 366 O GLY A 23 73.673 9.084 1.572 1.00 0.00 O ATOM 0 H GLY A 23 70.300 10.182 1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.141 7.894 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.779 9.521 -0.176 1.00 0.00 H new ATOM 370 N VAL A 24 72.928 7.017 1.557 1.00 0.00 N ATOM 371 CA VAL A 24 74.137 6.531 2.282 1.00 0.00 C ATOM 372 C VAL A 24 75.006 5.672 1.357 1.00 0.00 C ATOM 373 O VAL A 24 74.510 4.893 0.569 1.00 0.00 O ATOM 374 CB VAL A 24 73.590 5.703 3.449 1.00 0.00 C ATOM 375 CG1 VAL A 24 73.148 4.327 2.954 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.681 5.539 4.508 1.00 0.00 C ATOM 0 H VAL A 24 72.241 6.300 1.326 1.00 0.00 H new ATOM 0 HA VAL A 24 74.770 7.348 2.628 1.00 0.00 H new ATOM 0 HB VAL A 24 72.731 6.217 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.761 3.746 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.368 4.444 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 24 74.000 3.807 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.295 4.950 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.539 5.029 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.988 6.521 4.870 1.00 0.00 H new ATOM 386 N ALA A 25 76.302 5.814 1.447 1.00 0.00 N ATOM 387 CA ALA A 25 77.205 5.010 0.573 1.00 0.00 C ATOM 388 C ALA A 25 77.952 3.962 1.402 1.00 0.00 C ATOM 389 O ALA A 25 78.036 4.055 2.611 1.00 0.00 O ATOM 390 CB ALA A 25 78.187 6.022 -0.017 1.00 0.00 C ATOM 0 H ALA A 25 76.774 6.452 2.088 1.00 0.00 H new ATOM 0 HA ALA A 25 76.657 4.471 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.888 5.508 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.638 6.772 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.736 6.509 0.789 1.00 0.00 H new ATOM 396 N ALA A 26 78.500 2.967 0.760 1.00 0.00 N ATOM 397 CA ALA A 26 79.244 1.914 1.508 1.00 0.00 C ATOM 398 C ALA A 26 79.756 0.841 0.546 1.00 0.00 C ATOM 399 O ALA A 26 79.041 0.380 -0.324 1.00 0.00 O ATOM 400 CB ALA A 26 78.223 1.319 2.477 1.00 0.00 C ATOM 0 H ALA A 26 78.465 2.838 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 26 80.114 2.316 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 26 78.696 0.533 3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 26 77.855 2.100 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.389 0.899 1.914 1.00 0.00 H new ATOM 406 N ARG A 27 80.987 0.437 0.694 1.00 0.00 N ATOM 407 CA ARG A 27 81.543 -0.609 -0.213 1.00 0.00 C ATOM 408 C ARG A 27 80.696 -1.880 -0.135 1.00 0.00 C ATOM 409 O ARG A 27 80.161 -2.342 -1.123 1.00 0.00 O ATOM 410 CB ARG A 27 82.956 -0.872 0.308 1.00 0.00 C ATOM 411 CG ARG A 27 83.913 -1.039 -0.875 1.00 0.00 C ATOM 412 CD ARG A 27 84.917 0.116 -0.888 1.00 0.00 C ATOM 413 NE ARG A 27 85.043 0.500 -2.323 1.00 0.00 N ATOM 414 CZ ARG A 27 86.010 1.286 -2.706 1.00 0.00 C ATOM 415 NH1 ARG A 27 86.226 2.409 -2.078 1.00 0.00 N ATOM 416 NH2 ARG A 27 86.762 0.948 -3.719 1.00 0.00 N ATOM 0 H ARG A 27 81.633 0.785 1.403 1.00 0.00 H new ATOM 0 HA ARG A 27 81.545 -0.294 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.282 -0.045 0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 27 82.966 -1.769 0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 27 84.439 -1.991 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.353 -1.058 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.564 0.953 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 27 85.878 -0.191 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 27 84.372 0.147 -3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 27 85.638 2.672 -1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 27 86.983 3.024 -2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 27 86.592 0.070 -4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 27 87.519 1.562 -4.020 1.00 0.00 H new ATOM 430 N SER A 28 80.565 -2.448 1.033 1.00 0.00 N ATOM 431 CA SER A 28 79.748 -3.687 1.167 1.00 0.00 C ATOM 432 C SER A 28 78.262 -3.328 1.229 1.00 0.00 C ATOM 433 O SER A 28 77.748 -2.949 2.263 1.00 0.00 O ATOM 434 CB SER A 28 80.203 -4.324 2.478 1.00 0.00 C ATOM 435 OG SER A 28 79.122 -5.053 3.046 1.00 0.00 O ATOM 0 H SER A 28 80.987 -2.109 1.897 1.00 0.00 H new ATOM 0 HA SER A 28 79.878 -4.364 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 28 81.050 -4.987 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 28 80.542 -3.554 3.171 1.00 0.00 H new ATOM 0 HG SER A 28 78.960 -4.739 3.960 1.00 0.00 H new ATOM 441 N CYS A 29 77.572 -3.439 0.128 1.00 0.00 N ATOM 442 CA CYS A 29 76.120 -3.098 0.119 1.00 0.00 C ATOM 443 C CYS A 29 75.438 -3.635 1.380 1.00 0.00 C ATOM 444 O CYS A 29 74.460 -3.089 1.848 1.00 0.00 O ATOM 445 CB CYS A 29 75.556 -3.777 -1.129 1.00 0.00 C ATOM 446 SG CYS A 29 75.595 -5.573 -0.911 1.00 0.00 S ATOM 0 H CYS A 29 77.950 -3.751 -0.767 1.00 0.00 H new ATOM 0 HA CYS A 29 75.953 -2.021 0.105 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.533 -3.444 -1.306 1.00 0.00 H new ATOM 0 HB3 CYS A 29 76.140 -3.494 -2.005 1.00 0.00 H new ATOM 0 HG CYS A 29 74.549 -6.101 -1.474 1.00 0.00 H new ATOM 452 N GLN A 30 75.951 -4.698 1.940 1.00 0.00 N ATOM 453 CA GLN A 30 75.328 -5.255 3.174 1.00 0.00 C ATOM 454 C GLN A 30 75.305 -4.185 4.266 1.00 0.00 C ATOM 455 O GLN A 30 74.436 -4.165 5.114 1.00 0.00 O ATOM 456 CB GLN A 30 76.223 -6.426 3.582 1.00 0.00 C ATOM 457 CG GLN A 30 75.677 -7.720 2.977 1.00 0.00 C ATOM 458 CD GLN A 30 76.596 -8.886 3.346 1.00 0.00 C ATOM 459 OE1 GLN A 30 77.325 -8.818 4.316 1.00 0.00 O ATOM 460 NE2 GLN A 30 76.591 -9.964 2.609 1.00 0.00 N ATOM 0 H GLN A 30 76.770 -5.202 1.598 1.00 0.00 H new ATOM 0 HA GLN A 30 74.299 -5.576 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.243 -6.254 3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.261 -6.507 4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 30 74.668 -7.908 3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 30 75.609 -7.626 1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 30 75.980 -10.022 1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 30 77.199 -10.748 2.848 1.00 0.00 H new ATOM 469 N GLU A 31 76.254 -3.289 4.244 1.00 0.00 N ATOM 470 CA GLU A 31 76.289 -2.212 5.273 1.00 0.00 C ATOM 471 C GLU A 31 75.177 -1.198 4.999 1.00 0.00 C ATOM 472 O GLU A 31 74.507 -0.735 5.899 1.00 0.00 O ATOM 473 CB GLU A 31 77.662 -1.558 5.118 1.00 0.00 C ATOM 474 CG GLU A 31 78.373 -1.537 6.472 1.00 0.00 C ATOM 475 CD GLU A 31 79.350 -2.712 6.555 1.00 0.00 C ATOM 476 OE1 GLU A 31 79.761 -3.189 5.509 1.00 0.00 O ATOM 477 OE2 GLU A 31 79.671 -3.113 7.661 1.00 0.00 O ATOM 0 H GLU A 31 77.007 -3.257 3.557 1.00 0.00 H new ATOM 0 HA GLU A 31 76.136 -2.594 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.259 -2.108 4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.552 -0.543 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.908 -0.596 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.643 -1.600 7.279 1.00 0.00 H new ATOM 484 N LEU A 32 74.975 -0.859 3.757 1.00 0.00 N ATOM 485 CA LEU A 32 73.902 0.116 3.416 1.00 0.00 C ATOM 486 C LEU A 32 72.554 -0.406 3.912 1.00 0.00 C ATOM 487 O LEU A 32 71.759 0.325 4.470 1.00 0.00 O ATOM 488 CB LEU A 32 73.917 0.205 1.890 1.00 0.00 C ATOM 489 CG LEU A 32 75.225 0.850 1.430 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.638 0.266 0.079 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.024 2.359 1.290 1.00 0.00 C ATOM 0 H LEU A 32 75.507 -1.215 2.963 1.00 0.00 H new ATOM 0 HA LEU A 32 74.060 1.091 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.817 -0.790 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.067 0.792 1.541 1.00 0.00 H new ATOM 0 HG LEU A 32 76.005 0.650 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.570 0.727 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.780 -0.810 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.859 0.464 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 32 75.955 2.821 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.243 2.555 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 32 74.730 2.778 2.253 1.00 0.00 H new ATOM 503 N LEU A 33 72.294 -1.669 3.718 1.00 0.00 N ATOM 504 CA LEU A 33 71.001 -2.242 4.183 1.00 0.00 C ATOM 505 C LEU A 33 70.931 -2.200 5.710 1.00 0.00 C ATOM 506 O LEU A 33 70.136 -1.482 6.284 1.00 0.00 O ATOM 507 CB LEU A 33 71.008 -3.687 3.685 1.00 0.00 C ATOM 508 CG LEU A 33 70.469 -3.735 2.255 1.00 0.00 C ATOM 509 CD1 LEU A 33 70.797 -5.092 1.631 1.00 0.00 C ATOM 510 CD2 LEU A 33 68.952 -3.536 2.279 1.00 0.00 C ATOM 0 H LEU A 33 72.921 -2.329 3.258 1.00 0.00 H new ATOM 0 HA LEU A 33 70.141 -1.688 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.021 -4.089 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.396 -4.311 4.337 1.00 0.00 H new ATOM 0 HG LEU A 33 70.931 -2.944 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.413 -5.126 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 33 71.878 -5.234 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.335 -5.884 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.564 -3.570 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.490 -4.328 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 33 68.719 -2.569 2.724 1.00 0.00 H new ATOM 522 N ARG A 34 71.760 -2.961 6.374 1.00 0.00 N ATOM 523 CA ARG A 34 71.744 -2.958 7.864 1.00 0.00 C ATOM 524 C ARG A 34 71.618 -1.524 8.377 1.00 0.00 C ATOM 525 O ARG A 34 70.600 -1.129 8.907 1.00 0.00 O ATOM 526 CB ARG A 34 73.084 -3.565 8.281 1.00 0.00 C ATOM 527 CG ARG A 34 73.320 -3.308 9.772 1.00 0.00 C ATOM 528 CD ARG A 34 73.462 -4.644 10.504 1.00 0.00 C ATOM 529 NE ARG A 34 74.920 -4.776 10.783 1.00 0.00 N ATOM 530 CZ ARG A 34 75.501 -3.958 11.617 1.00 0.00 C ATOM 531 NH1 ARG A 34 74.845 -3.498 12.647 1.00 0.00 N ATOM 532 NH2 ARG A 34 76.741 -3.600 11.421 1.00 0.00 N ATOM 0 H ARG A 34 72.447 -3.584 5.948 1.00 0.00 H new ATOM 0 HA ARG A 34 70.905 -3.521 8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.088 -4.636 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.892 -3.128 7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.219 -2.708 9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.490 -2.739 10.190 1.00 0.00 H new ATOM 0 HD2 ARG A 34 72.881 -4.653 11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.101 -5.470 9.892 1.00 0.00 H new ATOM 0 HE ARG A 34 75.464 -5.506 10.322 1.00 0.00 H new ATOM 0 HH11 ARG A 34 73.876 -3.778 12.801 1.00 0.00 H new ATOM 0 HH12 ARG A 34 75.301 -2.859 13.298 1.00 0.00 H new ATOM 0 HH21 ARG A 34 77.255 -3.960 10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 34 77.196 -2.961 12.072 1.00 0.00 H new ATOM 546 N LYS A 35 72.644 -0.741 8.210 1.00 0.00 N ATOM 547 CA LYS A 35 72.582 0.674 8.674 1.00 0.00 C ATOM 548 C LYS A 35 71.276 1.310 8.199 1.00 0.00 C ATOM 549 O LYS A 35 70.778 2.250 8.788 1.00 0.00 O ATOM 550 CB LYS A 35 73.782 1.358 8.021 1.00 0.00 C ATOM 551 CG LYS A 35 75.076 0.732 8.544 1.00 0.00 C ATOM 552 CD LYS A 35 76.228 1.067 7.595 1.00 0.00 C ATOM 553 CE LYS A 35 76.803 2.437 7.960 1.00 0.00 C ATOM 554 NZ LYS A 35 77.920 2.146 8.903 1.00 0.00 N ATOM 0 H LYS A 35 73.523 -1.017 7.773 1.00 0.00 H new ATOM 0 HA LYS A 35 72.610 0.763 9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.728 1.254 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.768 2.426 8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.295 1.106 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.962 -0.349 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.004 0.304 7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 35 75.875 1.071 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 35 77.160 2.964 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 35 76.048 3.071 8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 78.365 3.038 9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 77.549 1.650 9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 78.626 1.547 8.430 1.00 0.00 H new ATOM 568 N GLY A 36 70.715 0.799 7.136 1.00 0.00 N ATOM 569 CA GLY A 36 69.438 1.365 6.619 1.00 0.00 C ATOM 570 C GLY A 36 68.310 1.057 7.603 1.00 0.00 C ATOM 571 O GLY A 36 67.584 1.936 8.023 1.00 0.00 O ATOM 0 H GLY A 36 71.087 0.013 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.533 2.442 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.209 0.940 5.642 1.00 0.00 H new ATOM 575 N CYS A 37 68.157 -0.184 7.983 1.00 0.00 N ATOM 576 CA CYS A 37 67.075 -0.533 8.948 1.00 0.00 C ATOM 577 C CYS A 37 67.369 0.102 10.309 1.00 0.00 C ATOM 578 O CYS A 37 66.518 0.170 11.173 1.00 0.00 O ATOM 579 CB CYS A 37 67.099 -2.057 9.056 1.00 0.00 C ATOM 580 SG CYS A 37 65.886 -2.585 10.293 1.00 0.00 S ATOM 0 H CYS A 37 68.731 -0.966 7.669 1.00 0.00 H new ATOM 0 HA CYS A 37 66.101 -0.169 8.621 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.870 -2.506 8.090 1.00 0.00 H new ATOM 0 HB3 CYS A 37 68.095 -2.398 9.337 1.00 0.00 H new ATOM 0 HG CYS A 37 66.019 -1.864 11.367 1.00 0.00 H new ATOM 586 N VAL A 38 68.573 0.567 10.505 1.00 0.00 N ATOM 587 CA VAL A 38 68.931 1.197 11.809 1.00 0.00 C ATOM 588 C VAL A 38 68.530 2.676 11.808 1.00 0.00 C ATOM 589 O VAL A 38 67.780 3.127 12.648 1.00 0.00 O ATOM 590 CB VAL A 38 70.450 1.053 11.914 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.928 1.608 13.257 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.828 -0.426 11.812 1.00 0.00 C ATOM 0 H VAL A 38 69.326 0.538 9.817 1.00 0.00 H new ATOM 0 HA VAL A 38 68.418 0.729 12.650 1.00 0.00 H new ATOM 0 HB VAL A 38 70.923 1.609 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 38 72.011 1.504 13.329 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.659 2.662 13.332 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.456 1.054 14.068 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.910 -0.531 11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.353 -0.980 12.622 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.490 -0.823 10.855 1.00 0.00 H new ATOM 602 N ARG A 39 69.020 3.435 10.869 1.00 0.00 N ATOM 603 CA ARG A 39 68.657 4.881 10.823 1.00 0.00 C ATOM 604 C ARG A 39 67.158 5.039 10.556 1.00 0.00 C ATOM 605 O ARG A 39 66.563 6.048 10.878 1.00 0.00 O ATOM 606 CB ARG A 39 69.466 5.456 9.664 1.00 0.00 C ATOM 607 CG ARG A 39 70.857 5.860 10.157 1.00 0.00 C ATOM 608 CD ARG A 39 70.760 7.169 10.944 1.00 0.00 C ATOM 609 NE ARG A 39 72.088 7.320 11.600 1.00 0.00 N ATOM 610 CZ ARG A 39 72.162 7.737 12.834 1.00 0.00 C ATOM 611 NH1 ARG A 39 71.169 8.401 13.359 1.00 0.00 N ATOM 612 NH2 ARG A 39 73.230 7.490 13.545 1.00 0.00 N ATOM 0 H ARG A 39 69.653 3.120 10.134 1.00 0.00 H new ATOM 0 HA ARG A 39 68.871 5.390 11.763 1.00 0.00 H new ATOM 0 HB2 ARG A 39 69.552 4.718 8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.953 6.321 9.244 1.00 0.00 H new ATOM 0 HG2 ARG A 39 71.273 5.074 10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 39 71.533 5.981 9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 39 70.546 8.011 10.286 1.00 0.00 H new ATOM 0 HD3 ARG A 39 69.958 7.129 11.681 1.00 0.00 H new ATOM 0 HE ARG A 39 72.940 7.097 11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 39 70.335 8.594 12.805 1.00 0.00 H new ATOM 0 HH12 ARG A 39 71.227 8.727 14.324 1.00 0.00 H new ATOM 0 HH21 ARG A 39 74.007 6.971 13.135 1.00 0.00 H new ATOM 0 HH22 ARG A 39 73.287 7.816 14.510 1.00 0.00 H new ATOM 626 N PHE A 40 66.542 4.047 9.970 1.00 0.00 N ATOM 627 CA PHE A 40 65.083 4.141 9.682 1.00 0.00 C ATOM 628 C PHE A 40 64.298 3.310 10.701 1.00 0.00 C ATOM 629 O PHE A 40 63.096 3.431 10.828 1.00 0.00 O ATOM 630 CB PHE A 40 64.921 3.578 8.270 1.00 0.00 C ATOM 631 CG PHE A 40 65.140 4.684 7.265 1.00 0.00 C ATOM 632 CD1 PHE A 40 66.198 5.586 7.436 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.283 4.815 6.165 1.00 0.00 C ATOM 634 CE1 PHE A 40 66.400 6.615 6.509 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.484 5.846 5.238 1.00 0.00 C ATOM 636 CZ PHE A 40 65.543 6.745 5.411 1.00 0.00 C ATOM 0 H PHE A 40 66.987 3.176 9.679 1.00 0.00 H new ATOM 0 HA PHE A 40 64.705 5.161 9.750 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.636 2.772 8.103 1.00 0.00 H new ATOM 0 HB3 PHE A 40 63.925 3.152 8.148 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.859 5.487 8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.467 4.121 6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 40 67.217 7.308 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 40 63.822 5.947 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.699 7.540 4.696 1.00 0.00 H new ATOM 646 N GLN A 41 64.980 2.473 11.435 1.00 0.00 N ATOM 647 CA GLN A 41 64.295 1.635 12.462 1.00 0.00 C ATOM 648 C GLN A 41 63.176 0.797 11.836 1.00 0.00 C ATOM 649 O GLN A 41 62.033 1.203 11.796 1.00 0.00 O ATOM 650 CB GLN A 41 63.713 2.635 13.462 1.00 0.00 C ATOM 651 CG GLN A 41 64.851 3.299 14.238 1.00 0.00 C ATOM 652 CD GLN A 41 65.673 2.227 14.956 1.00 0.00 C ATOM 653 OE1 GLN A 41 65.204 1.609 15.891 1.00 0.00 O ATOM 654 NE2 GLN A 41 66.890 1.980 14.555 1.00 0.00 N ATOM 0 H GLN A 41 65.988 2.333 11.367 1.00 0.00 H new ATOM 0 HA GLN A 41 64.983 0.930 12.929 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.126 3.390 12.938 1.00 0.00 H new ATOM 0 HB3 GLN A 41 63.037 2.127 14.150 1.00 0.00 H new ATOM 0 HG2 GLN A 41 65.487 3.865 13.558 1.00 0.00 H new ATOM 0 HG3 GLN A 41 64.447 4.008 14.961 1.00 0.00 H new ATOM 0 HE21 GLN A 41 67.284 2.499 13.770 1.00 0.00 H new ATOM 0 HE22 GLN A 41 67.448 1.268 15.027 1.00 0.00 H new ATOM 663 N LEU A 42 63.493 -0.379 11.364 1.00 0.00 N ATOM 664 CA LEU A 42 62.438 -1.246 10.762 1.00 0.00 C ATOM 665 C LEU A 42 62.439 -2.617 11.444 1.00 0.00 C ATOM 666 O LEU A 42 63.176 -3.503 11.058 1.00 0.00 O ATOM 667 CB LEU A 42 62.815 -1.378 9.286 1.00 0.00 C ATOM 668 CG LEU A 42 61.544 -1.565 8.453 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.798 -2.813 8.928 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.640 -0.342 8.622 1.00 0.00 C ATOM 0 H LEU A 42 64.433 -0.776 11.369 1.00 0.00 H new ATOM 0 HA LEU A 42 61.439 -0.827 10.884 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.353 -0.489 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.484 -2.227 9.144 1.00 0.00 H new ATOM 0 HG LEU A 42 61.814 -1.680 7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.894 -2.944 8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.439 -3.687 8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.529 -2.698 9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.735 -0.474 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.373 -0.230 9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.168 0.550 8.284 1.00 0.00 H new ATOM 682 N PRO A 43 61.609 -2.741 12.445 1.00 0.00 N ATOM 683 CA PRO A 43 61.509 -4.014 13.199 1.00 0.00 C ATOM 684 C PRO A 43 60.791 -5.069 12.354 1.00 0.00 C ATOM 685 O PRO A 43 60.695 -4.947 11.149 1.00 0.00 O ATOM 686 CB PRO A 43 60.685 -3.637 14.428 1.00 0.00 C ATOM 687 CG PRO A 43 59.886 -2.446 14.004 1.00 0.00 C ATOM 688 CD PRO A 43 60.695 -1.717 12.962 1.00 0.00 C ATOM 0 HA PRO A 43 62.477 -4.442 13.462 1.00 0.00 H new ATOM 0 HB2 PRO A 43 60.038 -4.458 14.737 1.00 0.00 H new ATOM 0 HB3 PRO A 43 61.327 -3.401 15.277 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.922 -2.754 13.598 1.00 0.00 H new ATOM 0 HG3 PRO A 43 59.681 -1.797 14.855 1.00 0.00 H new ATOM 0 HD2 PRO A 43 60.060 -1.313 12.173 1.00 0.00 H new ATOM 0 HD3 PRO A 43 61.239 -0.877 13.394 1.00 0.00 H new ATOM 696 N MET A 44 60.289 -6.105 12.968 1.00 0.00 N ATOM 697 CA MET A 44 59.587 -7.158 12.185 1.00 0.00 C ATOM 698 C MET A 44 58.135 -7.323 12.653 1.00 0.00 C ATOM 699 O MET A 44 57.659 -8.432 12.797 1.00 0.00 O ATOM 700 CB MET A 44 60.380 -8.435 12.456 1.00 0.00 C ATOM 701 CG MET A 44 59.939 -9.524 11.480 1.00 0.00 C ATOM 702 SD MET A 44 60.658 -11.108 11.977 1.00 0.00 S ATOM 703 CE MET A 44 59.853 -11.223 13.593 1.00 0.00 C ATOM 0 H MET A 44 60.335 -6.267 13.974 1.00 0.00 H new ATOM 0 HA MET A 44 59.540 -6.910 11.125 1.00 0.00 H new ATOM 0 HB2 MET A 44 61.447 -8.243 12.346 1.00 0.00 H new ATOM 0 HB3 MET A 44 60.220 -8.765 13.482 1.00 0.00 H new ATOM 0 HG2 MET A 44 58.851 -9.595 11.465 1.00 0.00 H new ATOM 0 HG3 MET A 44 60.256 -9.270 10.468 1.00 0.00 H new ATOM 0 HE1 MET A 44 59.621 -12.266 13.811 1.00 0.00 H new ATOM 0 HE2 MET A 44 60.521 -10.832 14.361 1.00 0.00 H new ATOM 0 HE3 MET A 44 58.932 -10.641 13.583 1.00 0.00 H new ATOM 713 N PRO A 45 57.468 -6.217 12.868 1.00 0.00 N ATOM 714 CA PRO A 45 56.054 -6.267 13.309 1.00 0.00 C ATOM 715 C PRO A 45 55.151 -6.598 12.118 1.00 0.00 C ATOM 716 O PRO A 45 53.949 -6.721 12.248 1.00 0.00 O ATOM 717 CB PRO A 45 55.782 -4.852 13.806 1.00 0.00 C ATOM 718 CG PRO A 45 56.757 -3.987 13.070 1.00 0.00 C ATOM 719 CD PRO A 45 57.952 -4.840 12.725 1.00 0.00 C ATOM 0 HA PRO A 45 55.865 -7.024 14.070 1.00 0.00 H new ATOM 0 HB2 PRO A 45 54.755 -4.552 13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 45 55.925 -4.778 14.884 1.00 0.00 H new ATOM 0 HG2 PRO A 45 56.303 -3.581 12.166 1.00 0.00 H new ATOM 0 HG3 PRO A 45 57.057 -3.139 13.685 1.00 0.00 H new ATOM 0 HD2 PRO A 45 58.301 -4.644 11.711 1.00 0.00 H new ATOM 0 HD3 PRO A 45 58.789 -4.641 13.394 1.00 0.00 H new ATOM 727 N GLY A 46 55.725 -6.729 10.952 1.00 0.00 N ATOM 728 CA GLY A 46 54.912 -7.038 9.743 1.00 0.00 C ATOM 729 C GLY A 46 55.110 -5.926 8.708 1.00 0.00 C ATOM 730 O GLY A 46 54.510 -5.933 7.651 1.00 0.00 O ATOM 0 H GLY A 46 56.727 -6.635 10.786 1.00 0.00 H new ATOM 0 HA2 GLY A 46 55.211 -7.999 9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.858 -7.120 10.009 1.00 0.00 H new ATOM 734 N SER A 47 55.951 -4.970 9.005 1.00 0.00 N ATOM 735 CA SER A 47 56.191 -3.854 8.045 1.00 0.00 C ATOM 736 C SER A 47 56.756 -4.395 6.731 1.00 0.00 C ATOM 737 O SER A 47 56.644 -5.568 6.431 1.00 0.00 O ATOM 738 CB SER A 47 57.213 -2.952 8.735 1.00 0.00 C ATOM 739 OG SER A 47 57.855 -3.677 9.776 1.00 0.00 O ATOM 0 H SER A 47 56.483 -4.915 9.874 1.00 0.00 H new ATOM 0 HA SER A 47 55.274 -3.319 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 47 57.950 -2.601 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 47 56.720 -2.069 9.142 1.00 0.00 H new ATOM 0 HG SER A 47 58.340 -3.055 10.357 1.00 0.00 H new ATOM 745 N ARG A 48 57.361 -3.550 5.942 1.00 0.00 N ATOM 746 CA ARG A 48 57.930 -4.015 4.648 1.00 0.00 C ATOM 747 C ARG A 48 58.495 -2.828 3.864 1.00 0.00 C ATOM 748 O ARG A 48 58.126 -1.691 4.085 1.00 0.00 O ATOM 749 CB ARG A 48 56.752 -4.639 3.901 1.00 0.00 C ATOM 750 CG ARG A 48 56.992 -6.139 3.736 1.00 0.00 C ATOM 751 CD ARG A 48 56.260 -6.640 2.489 1.00 0.00 C ATOM 752 NE ARG A 48 56.508 -8.107 2.462 1.00 0.00 N ATOM 753 CZ ARG A 48 56.061 -8.826 1.469 1.00 0.00 C ATOM 754 NH1 ARG A 48 55.869 -8.276 0.301 1.00 0.00 N ATOM 755 NH2 ARG A 48 55.807 -10.093 1.645 1.00 0.00 N ATOM 0 H ARG A 48 57.485 -2.557 6.139 1.00 0.00 H new ATOM 0 HA ARG A 48 58.747 -4.723 4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.826 -4.466 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.636 -4.169 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 48 58.060 -6.340 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 48 56.638 -6.674 4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 48 55.194 -6.421 2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 48 56.640 -6.159 1.588 1.00 0.00 H new ATOM 0 HE ARG A 48 57.027 -8.551 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 48 56.068 -7.285 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 48 55.520 -8.837 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 48 55.958 -10.521 2.558 1.00 0.00 H new ATOM 0 HH22 ARG A 48 55.458 -10.656 0.869 1.00 0.00 H new ATOM 769 N LEU A 49 59.387 -3.084 2.948 1.00 0.00 N ATOM 770 CA LEU A 49 59.973 -1.972 2.148 1.00 0.00 C ATOM 771 C LEU A 49 59.574 -2.121 0.678 1.00 0.00 C ATOM 772 O LEU A 49 59.059 -3.142 0.267 1.00 0.00 O ATOM 773 CB LEU A 49 61.486 -2.113 2.320 1.00 0.00 C ATOM 774 CG LEU A 49 61.880 -1.672 3.730 1.00 0.00 C ATOM 775 CD1 LEU A 49 62.192 -2.903 4.584 1.00 0.00 C ATOM 776 CD2 LEU A 49 63.119 -0.778 3.658 1.00 0.00 C ATOM 0 H LEU A 49 59.736 -4.015 2.719 1.00 0.00 H new ATOM 0 HA LEU A 49 59.622 -0.993 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 49 61.787 -3.147 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.006 -1.506 1.579 1.00 0.00 H new ATOM 0 HG LEU A 49 61.055 -1.118 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 49 62.473 -2.587 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 49 61.310 -3.542 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.016 -3.458 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.400 -0.464 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.942 -1.333 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.899 0.100 3.051 1.00 0.00 H new ATOM 788 N CYS A 50 59.800 -1.111 -0.117 1.00 0.00 N ATOM 789 CA CYS A 50 59.424 -1.201 -1.557 1.00 0.00 C ATOM 790 C CYS A 50 60.318 -0.286 -2.400 1.00 0.00 C ATOM 791 O CYS A 50 60.735 0.767 -1.960 1.00 0.00 O ATOM 792 CB CYS A 50 57.972 -0.723 -1.610 1.00 0.00 C ATOM 793 SG CYS A 50 56.881 -2.025 -0.983 1.00 0.00 S ATOM 0 H CYS A 50 60.228 -0.230 0.167 1.00 0.00 H new ATOM 0 HA CYS A 50 59.542 -2.210 -1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 50 57.855 0.182 -1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.700 -0.468 -2.634 1.00 0.00 H new ATOM 0 HG CYS A 50 57.571 -2.861 -0.265 1.00 0.00 H new ATOM 799 N LEU A 51 60.606 -0.675 -3.611 1.00 0.00 N ATOM 800 CA LEU A 51 61.463 0.176 -4.487 1.00 0.00 C ATOM 801 C LEU A 51 60.700 1.439 -4.889 1.00 0.00 C ATOM 802 O LEU A 51 59.593 1.372 -5.387 1.00 0.00 O ATOM 803 CB LEU A 51 61.745 -0.685 -5.714 1.00 0.00 C ATOM 804 CG LEU A 51 63.081 -1.405 -5.536 1.00 0.00 C ATOM 805 CD1 LEU A 51 62.837 -2.909 -5.394 1.00 0.00 C ATOM 806 CD2 LEU A 51 63.959 -1.145 -6.758 1.00 0.00 C ATOM 0 H LEU A 51 60.285 -1.546 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 51 62.380 0.495 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 51 60.944 -1.411 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 51 61.771 -0.064 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 51 63.580 -1.034 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 51 63.790 -3.422 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.206 -3.095 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.340 -3.283 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 51 64.914 -1.657 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.459 -1.519 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.132 -0.074 -6.860 1.00 0.00 H new ATOM 818 N TYR A 52 61.280 2.589 -4.674 1.00 0.00 N ATOM 819 CA TYR A 52 60.582 3.855 -5.042 1.00 0.00 C ATOM 820 C TYR A 52 60.603 4.055 -6.560 1.00 0.00 C ATOM 821 O TYR A 52 60.096 5.034 -7.072 1.00 0.00 O ATOM 822 CB TYR A 52 61.370 4.962 -4.340 1.00 0.00 C ATOM 823 CG TYR A 52 60.534 6.219 -4.293 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.194 6.153 -3.891 1.00 0.00 C ATOM 825 CD2 TYR A 52 61.098 7.450 -4.652 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.418 7.318 -3.849 1.00 0.00 C ATOM 827 CE2 TYR A 52 60.321 8.614 -4.608 1.00 0.00 C ATOM 828 CZ TYR A 52 58.980 8.548 -4.207 1.00 0.00 C ATOM 829 OH TYR A 52 58.215 9.695 -4.164 1.00 0.00 O ATOM 0 H TYR A 52 62.205 2.707 -4.260 1.00 0.00 H new ATOM 0 HA TYR A 52 59.534 3.849 -4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.635 4.650 -3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.303 5.152 -4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 52 58.759 5.204 -3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 52 62.131 7.501 -4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.384 7.267 -3.540 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.756 9.564 -4.883 1.00 0.00 H new ATOM 0 HH TYR A 52 58.759 10.461 -4.442 1.00 0.00 H new ATOM 839 N GLU A 53 61.183 3.138 -7.287 1.00 0.00 N ATOM 840 CA GLU A 53 61.228 3.285 -8.771 1.00 0.00 C ATOM 841 C GLU A 53 59.834 3.070 -9.366 1.00 0.00 C ATOM 842 O GLU A 53 59.270 3.951 -9.986 1.00 0.00 O ATOM 843 CB GLU A 53 62.192 2.199 -9.252 1.00 0.00 C ATOM 844 CG GLU A 53 62.488 2.404 -10.739 1.00 0.00 C ATOM 845 CD GLU A 53 63.507 3.534 -10.906 1.00 0.00 C ATOM 846 OE1 GLU A 53 64.684 3.280 -10.702 1.00 0.00 O ATOM 847 OE2 GLU A 53 63.095 4.633 -11.235 1.00 0.00 O ATOM 0 H GLU A 53 61.626 2.296 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 53 61.553 4.279 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.117 2.238 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 53 61.757 1.213 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 53 62.876 1.483 -11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 53 61.569 2.646 -11.273 1.00 0.00 H new ATOM 854 N ASP A 54 59.272 1.905 -9.182 1.00 0.00 N ATOM 855 CA ASP A 54 57.915 1.637 -9.738 1.00 0.00 C ATOM 856 C ASP A 54 57.001 1.063 -8.653 1.00 0.00 C ATOM 857 O ASP A 54 56.020 0.406 -8.937 1.00 0.00 O ATOM 858 CB ASP A 54 58.136 0.610 -10.849 1.00 0.00 C ATOM 859 CG ASP A 54 57.275 0.973 -12.060 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.056 2.154 -12.274 1.00 0.00 O ATOM 861 OD2 ASP A 54 56.849 0.064 -12.753 1.00 0.00 O ATOM 0 H ASP A 54 59.694 1.129 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 54 57.437 2.543 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 54 59.188 0.586 -11.132 1.00 0.00 H new ATOM 0 HB3 ASP A 54 57.879 -0.388 -10.493 1.00 0.00 H new ATOM 866 N GLY A 55 57.314 1.309 -7.410 1.00 0.00 N ATOM 867 CA GLY A 55 56.461 0.781 -6.309 1.00 0.00 C ATOM 868 C GLY A 55 56.658 -0.730 -6.180 1.00 0.00 C ATOM 869 O GLY A 55 55.711 -1.478 -6.044 1.00 0.00 O ATOM 0 H GLY A 55 58.123 1.853 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 55 56.718 1.272 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.413 1.005 -6.509 1.00 0.00 H new ATOM 873 N THR A 56 57.880 -1.188 -6.213 1.00 0.00 N ATOM 874 CA THR A 56 58.124 -2.655 -6.081 1.00 0.00 C ATOM 875 C THR A 56 58.194 -3.033 -4.599 1.00 0.00 C ATOM 876 O THR A 56 58.261 -2.178 -3.739 1.00 0.00 O ATOM 877 CB THR A 56 59.458 -2.911 -6.779 1.00 0.00 C ATOM 878 OG1 THR A 56 59.817 -1.773 -7.551 1.00 0.00 O ATOM 879 CG2 THR A 56 59.330 -4.130 -7.693 1.00 0.00 C ATOM 0 H THR A 56 58.716 -0.615 -6.325 1.00 0.00 H new ATOM 0 HA THR A 56 57.328 -3.253 -6.526 1.00 0.00 H new ATOM 0 HB THR A 56 60.229 -3.098 -6.031 1.00 0.00 H new ATOM 0 HG1 THR A 56 60.674 -1.937 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.282 -4.313 -8.191 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.058 -5.003 -7.100 1.00 0.00 H new ATOM 0 HG23 THR A 56 58.559 -3.945 -8.441 1.00 0.00 H new ATOM 887 N GLU A 57 58.161 -4.299 -4.285 1.00 0.00 N ATOM 888 CA GLU A 57 58.210 -4.700 -2.849 1.00 0.00 C ATOM 889 C GLU A 57 59.511 -5.436 -2.525 1.00 0.00 C ATOM 890 O GLU A 57 59.912 -6.352 -3.216 1.00 0.00 O ATOM 891 CB GLU A 57 57.008 -5.622 -2.651 1.00 0.00 C ATOM 892 CG GLU A 57 57.011 -6.713 -3.723 1.00 0.00 C ATOM 893 CD GLU A 57 56.252 -7.936 -3.206 1.00 0.00 C ATOM 894 OE1 GLU A 57 55.039 -7.955 -3.331 1.00 0.00 O ATOM 895 OE2 GLU A 57 56.898 -8.835 -2.691 1.00 0.00 O ATOM 0 H GLU A 57 58.103 -5.067 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 57 58.177 -3.833 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.043 -6.073 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.084 -5.047 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.546 -6.342 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 57 58.035 -6.987 -3.976 1.00 0.00 H new ATOM 902 N VAL A 58 60.165 -5.042 -1.465 1.00 0.00 N ATOM 903 CA VAL A 58 61.438 -5.710 -1.070 1.00 0.00 C ATOM 904 C VAL A 58 61.689 -5.490 0.425 1.00 0.00 C ATOM 905 O VAL A 58 60.977 -4.755 1.079 1.00 0.00 O ATOM 906 CB VAL A 58 62.521 -5.030 -1.907 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.885 -5.631 -1.564 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.227 -5.250 -3.394 1.00 0.00 C ATOM 0 H VAL A 58 59.870 -4.282 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 58 61.419 -6.787 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 58 62.531 -3.962 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.657 -5.146 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 58 64.095 -5.477 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.877 -6.699 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 58 62.998 -4.766 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.218 -6.319 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.255 -4.822 -3.640 1.00 0.00 H new ATOM 918 N THR A 59 62.691 -6.120 0.974 1.00 0.00 N ATOM 919 CA THR A 59 62.972 -5.940 2.429 1.00 0.00 C ATOM 920 C THR A 59 64.458 -5.649 2.659 1.00 0.00 C ATOM 921 O THR A 59 65.293 -5.929 1.823 1.00 0.00 O ATOM 922 CB THR A 59 62.578 -7.270 3.074 1.00 0.00 C ATOM 923 OG1 THR A 59 63.477 -8.285 2.651 1.00 0.00 O ATOM 924 CG2 THR A 59 61.153 -7.639 2.658 1.00 0.00 C ATOM 0 H THR A 59 63.325 -6.749 0.482 1.00 0.00 H new ATOM 0 HA THR A 59 62.421 -5.100 2.852 1.00 0.00 H new ATOM 0 HB THR A 59 62.623 -7.175 4.159 1.00 0.00 H new ATOM 0 HG1 THR A 59 63.226 -9.137 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.874 -8.587 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.465 -6.860 2.986 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.104 -7.734 1.573 1.00 0.00 H new ATOM 932 N ASP A 60 64.791 -5.091 3.792 1.00 0.00 N ATOM 933 CA ASP A 60 66.219 -4.780 4.084 1.00 0.00 C ATOM 934 C ASP A 60 67.047 -6.070 4.115 1.00 0.00 C ATOM 935 O ASP A 60 68.262 -6.038 4.143 1.00 0.00 O ATOM 936 CB ASP A 60 66.204 -4.115 5.465 1.00 0.00 C ATOM 937 CG ASP A 60 65.953 -5.174 6.540 1.00 0.00 C ATOM 938 OD1 ASP A 60 66.916 -5.775 6.987 1.00 0.00 O ATOM 939 OD2 ASP A 60 64.803 -5.366 6.897 1.00 0.00 O ATOM 0 H ASP A 60 64.133 -4.837 4.529 1.00 0.00 H new ATOM 0 HA ASP A 60 66.666 -4.136 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 60 67.154 -3.613 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 60 65.427 -3.351 5.504 1.00 0.00 H new ATOM 944 N ASP A 61 66.400 -7.205 4.114 1.00 0.00 N ATOM 945 CA ASP A 61 67.150 -8.494 4.147 1.00 0.00 C ATOM 946 C ASP A 61 67.152 -9.151 2.762 1.00 0.00 C ATOM 947 O ASP A 61 67.815 -10.145 2.538 1.00 0.00 O ATOM 948 CB ASP A 61 66.390 -9.365 5.148 1.00 0.00 C ATOM 949 CG ASP A 61 66.584 -8.810 6.560 1.00 0.00 C ATOM 950 OD1 ASP A 61 67.592 -8.161 6.788 1.00 0.00 O ATOM 951 OD2 ASP A 61 65.722 -9.044 7.390 1.00 0.00 O ATOM 0 H ASP A 61 65.384 -7.295 4.092 1.00 0.00 H new ATOM 0 HA ASP A 61 68.193 -8.354 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.330 -9.385 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 61 66.749 -10.393 5.098 1.00 0.00 H new ATOM 956 N CYS A 62 66.414 -8.608 1.833 1.00 0.00 N ATOM 957 CA CYS A 62 66.375 -9.209 0.467 1.00 0.00 C ATOM 958 C CYS A 62 67.327 -8.463 -0.472 1.00 0.00 C ATOM 959 O CYS A 62 68.032 -9.061 -1.259 1.00 0.00 O ATOM 960 CB CYS A 62 64.927 -9.041 0.005 1.00 0.00 C ATOM 961 SG CYS A 62 64.071 -10.632 0.110 1.00 0.00 S ATOM 0 H CYS A 62 65.837 -7.776 1.959 1.00 0.00 H new ATOM 0 HA CYS A 62 66.687 -10.253 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.420 -8.302 0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.902 -8.669 -1.019 1.00 0.00 H new ATOM 0 HG CYS A 62 62.839 -10.489 -0.281 1.00 0.00 H new ATOM 967 N PHE A 63 67.347 -7.160 -0.398 1.00 0.00 N ATOM 968 CA PHE A 63 68.248 -6.373 -1.288 1.00 0.00 C ATOM 969 C PHE A 63 69.620 -7.043 -1.395 1.00 0.00 C ATOM 970 O PHE A 63 70.440 -6.927 -0.505 1.00 0.00 O ATOM 971 CB PHE A 63 68.371 -5.007 -0.614 1.00 0.00 C ATOM 972 CG PHE A 63 67.067 -4.260 -0.749 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.565 -3.954 -2.020 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.358 -3.875 0.394 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.355 -3.262 -2.147 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.148 -3.183 0.268 1.00 0.00 C ATOM 977 CZ PHE A 63 64.647 -2.876 -1.003 1.00 0.00 C ATOM 0 H PHE A 63 66.777 -6.606 0.241 1.00 0.00 H new ATOM 0 HA PHE A 63 67.857 -6.298 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.624 -5.131 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.179 -4.435 -1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.112 -4.252 -2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.745 -4.112 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 63 64.968 -3.026 -3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.601 -2.886 1.151 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.714 -2.341 -1.101 1.00 0.00 H new ATOM 987 N PRO A 64 69.823 -7.722 -2.491 1.00 0.00 N ATOM 988 CA PRO A 64 71.108 -8.417 -2.731 1.00 0.00 C ATOM 989 C PRO A 64 72.192 -7.409 -3.130 1.00 0.00 C ATOM 990 O PRO A 64 72.918 -6.902 -2.297 1.00 0.00 O ATOM 991 CB PRO A 64 70.792 -9.366 -3.882 1.00 0.00 C ATOM 992 CG PRO A 64 69.632 -8.747 -4.599 1.00 0.00 C ATOM 993 CD PRO A 64 68.878 -7.904 -3.600 1.00 0.00 C ATOM 0 HA PRO A 64 71.488 -8.937 -1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.650 -9.479 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.541 -10.361 -3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.978 -8.136 -5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.984 -9.518 -5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.581 -6.948 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.966 -8.401 -3.268 1.00 0.00 H new ATOM 1001 N GLY A 65 72.308 -7.114 -4.397 1.00 0.00 N ATOM 1002 CA GLY A 65 73.343 -6.139 -4.844 1.00 0.00 C ATOM 1003 C GLY A 65 72.678 -5.017 -5.645 1.00 0.00 C ATOM 1004 O GLY A 65 72.789 -4.954 -6.853 1.00 0.00 O ATOM 0 H GLY A 65 71.731 -7.506 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.864 -5.724 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.091 -6.642 -5.456 1.00 0.00 H new ATOM 1008 N LEU A 66 71.989 -4.129 -4.983 1.00 0.00 N ATOM 1009 CA LEU A 66 71.317 -3.011 -5.709 1.00 0.00 C ATOM 1010 C LEU A 66 72.346 -2.190 -6.491 1.00 0.00 C ATOM 1011 O LEU A 66 73.524 -2.228 -6.199 1.00 0.00 O ATOM 1012 CB LEU A 66 70.680 -2.155 -4.614 1.00 0.00 C ATOM 1013 CG LEU A 66 69.435 -2.855 -4.071 1.00 0.00 C ATOM 1014 CD1 LEU A 66 68.963 -2.145 -2.802 1.00 0.00 C ATOM 1015 CD2 LEU A 66 68.326 -2.808 -5.123 1.00 0.00 C ATOM 0 H LEU A 66 71.861 -4.128 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 66 70.583 -3.372 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.395 -1.987 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.414 -1.176 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 66 69.674 -3.893 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.075 -2.644 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.753 -2.177 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.724 -1.107 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 66 67.437 -3.307 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 66 68.088 -1.770 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.662 -3.314 -6.028 1.00 0.00 H new ATOM 1027 N PRO A 67 71.856 -1.464 -7.458 1.00 0.00 N ATOM 1028 CA PRO A 67 72.736 -0.612 -8.291 1.00 0.00 C ATOM 1029 C PRO A 67 73.149 0.633 -7.503 1.00 0.00 C ATOM 1030 O PRO A 67 73.054 0.670 -6.293 1.00 0.00 O ATOM 1031 CB PRO A 67 71.852 -0.235 -9.476 1.00 0.00 C ATOM 1032 CG PRO A 67 70.449 -0.347 -8.968 1.00 0.00 C ATOM 1033 CD PRO A 67 70.450 -1.373 -7.864 1.00 0.00 C ATOM 0 HA PRO A 67 73.657 -1.107 -8.598 1.00 0.00 H new ATOM 0 HB2 PRO A 67 72.066 0.776 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 67 72.020 -0.903 -10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 67 70.097 0.616 -8.597 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.773 -0.646 -9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.815 -1.065 -7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 67 70.073 -2.334 -8.214 1.00 0.00 H new ATOM 1041 N ASN A 68 73.601 1.653 -8.175 1.00 0.00 N ATOM 1042 CA ASN A 68 74.008 2.892 -7.452 1.00 0.00 C ATOM 1043 C ASN A 68 72.768 3.676 -7.024 1.00 0.00 C ATOM 1044 O ASN A 68 71.735 3.622 -7.660 1.00 0.00 O ATOM 1045 CB ASN A 68 74.835 3.693 -8.459 1.00 0.00 C ATOM 1046 CG ASN A 68 75.401 4.942 -7.776 1.00 0.00 C ATOM 1047 OD1 ASN A 68 76.118 4.844 -6.801 1.00 0.00 O ATOM 1048 ND2 ASN A 68 75.107 6.122 -8.253 1.00 0.00 N ATOM 0 H ASN A 68 73.707 1.684 -9.189 1.00 0.00 H new ATOM 0 HA ASN A 68 74.577 2.676 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 68 75.647 3.079 -8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 68 74.215 3.979 -9.309 1.00 0.00 H new ATOM 0 HD21 ASN A 68 75.480 6.960 -7.806 1.00 0.00 H new ATOM 0 HD22 ASN A 68 74.505 6.205 -9.072 1.00 0.00 H new ATOM 1055 N ASP A 69 72.861 4.401 -5.945 1.00 0.00 N ATOM 1056 CA ASP A 69 71.687 5.182 -5.469 1.00 0.00 C ATOM 1057 C ASP A 69 70.439 4.302 -5.467 1.00 0.00 C ATOM 1058 O ASP A 69 69.351 4.744 -5.774 1.00 0.00 O ATOM 1059 CB ASP A 69 71.538 6.332 -6.467 1.00 0.00 C ATOM 1060 CG ASP A 69 72.768 7.237 -6.394 1.00 0.00 C ATOM 1061 OD1 ASP A 69 73.730 6.846 -5.753 1.00 0.00 O ATOM 1062 OD2 ASP A 69 72.728 8.305 -6.983 1.00 0.00 O ATOM 0 H ASP A 69 73.700 4.486 -5.372 1.00 0.00 H new ATOM 0 HA ASP A 69 71.819 5.548 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 69 71.423 5.938 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.638 6.906 -6.245 1.00 0.00 H new ATOM 1067 N ALA A 70 70.593 3.056 -5.119 1.00 0.00 N ATOM 1068 CA ALA A 70 69.416 2.140 -5.090 1.00 0.00 C ATOM 1069 C ALA A 70 68.224 2.842 -4.431 1.00 0.00 C ATOM 1070 O ALA A 70 68.105 2.881 -3.223 1.00 0.00 O ATOM 1071 CB ALA A 70 69.863 0.938 -4.257 1.00 0.00 C ATOM 0 H ALA A 70 71.481 2.631 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 70 69.099 1.841 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 70 69.047 0.218 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.725 0.467 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.136 1.271 -3.256 1.00 0.00 H new ATOM 1077 N GLU A 71 67.347 3.403 -5.218 1.00 0.00 N ATOM 1078 CA GLU A 71 66.167 4.112 -4.643 1.00 0.00 C ATOM 1079 C GLU A 71 65.284 3.142 -3.854 1.00 0.00 C ATOM 1080 O GLU A 71 64.479 2.422 -4.413 1.00 0.00 O ATOM 1081 CB GLU A 71 65.410 4.662 -5.852 1.00 0.00 C ATOM 1082 CG GLU A 71 65.922 6.067 -6.177 1.00 0.00 C ATOM 1083 CD GLU A 71 66.643 6.049 -7.526 1.00 0.00 C ATOM 1084 OE1 GLU A 71 65.971 5.895 -8.532 1.00 0.00 O ATOM 1085 OE2 GLU A 71 67.854 6.190 -7.529 1.00 0.00 O ATOM 0 H GLU A 71 67.396 3.401 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 71 66.462 4.899 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.548 4.005 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.341 4.692 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 71 65.090 6.771 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 71 66.600 6.408 -5.395 1.00 0.00 H new ATOM 1092 N LEU A 72 65.422 3.122 -2.556 1.00 0.00 N ATOM 1093 CA LEU A 72 64.588 2.205 -1.729 1.00 0.00 C ATOM 1094 C LEU A 72 63.601 3.011 -0.879 1.00 0.00 C ATOM 1095 O LEU A 72 63.774 4.195 -0.671 1.00 0.00 O ATOM 1096 CB LEU A 72 65.584 1.466 -0.836 1.00 0.00 C ATOM 1097 CG LEU A 72 65.717 0.020 -1.310 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.381 -0.005 -2.688 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.575 -0.763 -0.315 1.00 0.00 C ATOM 0 H LEU A 72 66.077 3.702 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 72 63.998 1.520 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.554 1.961 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 72 65.248 1.491 0.200 1.00 0.00 H new ATOM 0 HG LEU A 72 64.729 -0.435 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.476 -1.036 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.770 0.555 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.370 0.449 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.671 -1.795 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.564 -0.309 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.102 -0.744 0.667 1.00 0.00 H new ATOM 1111 N LEU A 73 62.569 2.382 -0.384 1.00 0.00 N ATOM 1112 CA LEU A 73 61.581 3.121 0.453 1.00 0.00 C ATOM 1113 C LEU A 73 61.153 2.270 1.651 1.00 0.00 C ATOM 1114 O LEU A 73 60.835 1.105 1.518 1.00 0.00 O ATOM 1115 CB LEU A 73 60.388 3.381 -0.468 1.00 0.00 C ATOM 1116 CG LEU A 73 59.337 4.199 0.285 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.151 5.553 -0.402 1.00 0.00 C ATOM 1118 CD2 LEU A 73 58.007 3.440 0.288 1.00 0.00 C ATOM 0 H LEU A 73 62.368 1.392 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 73 61.997 4.046 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.712 3.917 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.959 2.436 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 73 59.668 4.358 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.402 6.134 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.098 6.094 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.821 5.398 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.257 4.022 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.677 3.281 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.139 2.477 0.780 1.00 0.00 H new ATOM 1130 N LEU A 74 61.139 2.845 2.822 1.00 0.00 N ATOM 1131 CA LEU A 74 60.729 2.074 4.030 1.00 0.00 C ATOM 1132 C LEU A 74 59.208 2.135 4.199 1.00 0.00 C ATOM 1133 O LEU A 74 58.586 3.142 3.926 1.00 0.00 O ATOM 1134 CB LEU A 74 61.429 2.772 5.197 1.00 0.00 C ATOM 1135 CG LEU A 74 61.167 1.996 6.488 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.186 0.864 6.617 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.300 2.939 7.686 1.00 0.00 C ATOM 0 H LEU A 74 61.394 3.817 2.995 1.00 0.00 H new ATOM 0 HA LEU A 74 61.000 1.020 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.501 2.833 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 74 61.064 3.794 5.295 1.00 0.00 H new ATOM 0 HG LEU A 74 60.160 1.579 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.000 0.310 7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.093 0.192 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.193 1.282 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.113 2.386 8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.307 3.356 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.575 3.748 7.595 1.00 0.00 H new ATOM 1149 N LEU A 75 58.603 1.067 4.643 1.00 0.00 N ATOM 1150 CA LEU A 75 57.125 1.074 4.822 1.00 0.00 C ATOM 1151 C LEU A 75 56.737 0.096 5.931 1.00 0.00 C ATOM 1152 O LEU A 75 57.478 -0.809 6.258 1.00 0.00 O ATOM 1153 CB LEU A 75 56.572 0.627 3.462 1.00 0.00 C ATOM 1154 CG LEU A 75 55.187 -0.003 3.631 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.340 0.289 2.391 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.336 -1.517 3.799 1.00 0.00 C ATOM 0 H LEU A 75 59.068 0.193 4.889 1.00 0.00 H new ATOM 0 HA LEU A 75 56.731 2.047 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.510 1.482 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.252 -0.091 3.004 1.00 0.00 H new ATOM 0 HG LEU A 75 54.700 0.417 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.354 -0.159 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.236 1.367 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 75 54.826 -0.132 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.351 -1.968 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.821 -1.935 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.942 -1.727 4.680 1.00 0.00 H new ATOM 1168 N THR A 76 55.584 0.269 6.514 1.00 0.00 N ATOM 1169 CA THR A 76 55.160 -0.657 7.600 1.00 0.00 C ATOM 1170 C THR A 76 53.671 -0.982 7.463 1.00 0.00 C ATOM 1171 O THR A 76 52.959 -0.363 6.699 1.00 0.00 O ATOM 1172 CB THR A 76 55.434 0.098 8.900 1.00 0.00 C ATOM 1173 OG1 THR A 76 54.610 1.254 8.959 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.905 0.512 8.949 1.00 0.00 C ATOM 0 H THR A 76 54.919 1.009 6.287 1.00 0.00 H new ATOM 0 HA THR A 76 55.695 -1.606 7.567 1.00 0.00 H new ATOM 0 HB THR A 76 55.212 -0.548 9.750 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.784 1.738 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 76 57.101 1.051 9.876 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.535 -0.377 8.906 1.00 0.00 H new ATOM 0 HG23 THR A 76 57.130 1.158 8.100 1.00 0.00 H new ATOM 1182 N ALA A 77 53.196 -1.951 8.198 1.00 0.00 N ATOM 1183 CA ALA A 77 51.753 -2.316 8.106 1.00 0.00 C ATOM 1184 C ALA A 77 50.881 -1.062 8.199 1.00 0.00 C ATOM 1185 O ALA A 77 49.749 -1.048 7.759 1.00 0.00 O ATOM 1186 CB ALA A 77 51.500 -3.236 9.300 1.00 0.00 C ATOM 0 H ALA A 77 53.743 -2.505 8.857 1.00 0.00 H new ATOM 0 HA ALA A 77 51.510 -2.800 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 77 50.456 -3.549 9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.142 -4.114 9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.721 -2.702 10.224 1.00 0.00 H new ATOM 1192 N GLY A 78 51.398 -0.007 8.765 1.00 0.00 N ATOM 1193 CA GLY A 78 50.595 1.242 8.880 1.00 0.00 C ATOM 1194 C GLY A 78 50.899 2.154 7.691 1.00 0.00 C ATOM 1195 O GLY A 78 50.692 3.349 7.745 1.00 0.00 O ATOM 0 H GLY A 78 52.340 0.044 9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.532 1.003 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.830 1.753 9.814 1.00 0.00 H new ATOM 1199 N GLU A 79 51.392 1.602 6.614 1.00 0.00 N ATOM 1200 CA GLU A 79 51.708 2.449 5.429 1.00 0.00 C ATOM 1201 C GLU A 79 51.805 1.591 4.164 1.00 0.00 C ATOM 1202 O GLU A 79 52.319 0.490 4.184 1.00 0.00 O ATOM 1203 CB GLU A 79 53.060 3.085 5.749 1.00 0.00 C ATOM 1204 CG GLU A 79 52.868 4.579 6.008 1.00 0.00 C ATOM 1205 CD GLU A 79 54.046 5.115 6.824 1.00 0.00 C ATOM 1206 OE1 GLU A 79 55.134 4.585 6.677 1.00 0.00 O ATOM 1207 OE2 GLU A 79 53.839 6.049 7.582 1.00 0.00 O ATOM 0 H GLU A 79 51.588 0.607 6.504 1.00 0.00 H new ATOM 0 HA GLU A 79 50.936 3.196 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.502 2.607 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.751 2.934 4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 79 52.794 5.116 5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 79 51.934 4.748 6.544 1.00 0.00 H new ATOM 1214 N THR A 80 51.317 2.094 3.062 1.00 0.00 N ATOM 1215 CA THR A 80 51.381 1.318 1.789 1.00 0.00 C ATOM 1216 C THR A 80 51.836 2.231 0.646 1.00 0.00 C ATOM 1217 O THR A 80 51.536 3.408 0.626 1.00 0.00 O ATOM 1218 CB THR A 80 49.952 0.825 1.545 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.060 1.501 2.419 1.00 0.00 O ATOM 1220 CG2 THR A 80 49.879 -0.681 1.804 1.00 0.00 C ATOM 0 H THR A 80 50.876 3.011 2.988 1.00 0.00 H new ATOM 0 HA THR A 80 52.089 0.491 1.844 1.00 0.00 H new ATOM 0 HB THR A 80 49.670 1.029 0.512 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.146 1.186 2.261 1.00 0.00 H new ATOM 0 HG21 THR A 80 48.862 -1.031 1.630 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.561 -1.200 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.162 -0.887 2.836 1.00 0.00 H new ATOM 1228 N TRP A 81 52.556 1.702 -0.303 1.00 0.00 N ATOM 1229 CA TRP A 81 53.026 2.547 -1.437 1.00 0.00 C ATOM 1230 C TRP A 81 52.412 2.060 -2.752 1.00 0.00 C ATOM 1231 O TRP A 81 52.451 0.888 -3.069 1.00 0.00 O ATOM 1232 CB TRP A 81 54.546 2.382 -1.453 1.00 0.00 C ATOM 1233 CG TRP A 81 55.107 3.003 -2.692 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.105 2.476 -3.439 1.00 0.00 C ATOM 1235 CD2 TRP A 81 54.728 4.253 -3.341 1.00 0.00 C ATOM 1236 NE1 TRP A 81 56.361 3.319 -4.505 1.00 0.00 N ATOM 1237 CE2 TRP A 81 55.538 4.427 -4.489 1.00 0.00 C ATOM 1238 CE3 TRP A 81 53.769 5.241 -3.051 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 55.402 5.542 -5.316 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 53.630 6.365 -3.883 1.00 0.00 C ATOM 1241 CH2 TRP A 81 54.445 6.514 -5.013 1.00 0.00 C ATOM 0 H TRP A 81 52.839 0.723 -0.343 1.00 0.00 H new ATOM 0 HA TRP A 81 52.734 3.591 -1.323 1.00 0.00 H new ATOM 0 HB2 TRP A 81 54.982 2.850 -0.570 1.00 0.00 H new ATOM 0 HB3 TRP A 81 54.807 1.324 -1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 81 56.618 1.548 -3.236 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.071 3.143 -5.216 1.00 0.00 H new ATOM 0 HE3 TRP A 81 53.135 5.135 -2.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 56.033 5.653 -6.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 52.891 7.118 -3.650 1.00 0.00 H new ATOM 0 HH2 TRP A 81 54.334 7.379 -5.649 1.00 0.00 H new ATOM 1252 N HIS A 82 51.846 2.952 -3.519 1.00 0.00 N ATOM 1253 CA HIS A 82 51.228 2.542 -4.813 1.00 0.00 C ATOM 1254 C HIS A 82 52.311 2.345 -5.878 1.00 0.00 C ATOM 1255 O HIS A 82 52.661 1.233 -6.222 1.00 0.00 O ATOM 1256 CB HIS A 82 50.308 3.701 -5.194 1.00 0.00 C ATOM 1257 CG HIS A 82 49.087 3.682 -4.316 1.00 0.00 C ATOM 1258 ND1 HIS A 82 48.032 2.811 -4.536 1.00 0.00 N ATOM 1259 CD2 HIS A 82 48.739 4.420 -3.211 1.00 0.00 C ATOM 1260 CE1 HIS A 82 47.108 3.045 -3.586 1.00 0.00 C ATOM 1261 NE2 HIS A 82 47.489 4.016 -2.752 1.00 0.00 N ATOM 0 H HIS A 82 51.785 3.948 -3.306 1.00 0.00 H new ATOM 0 HA HIS A 82 50.687 1.599 -4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 82 50.834 4.649 -5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 82 50.017 3.619 -6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 82 49.344 5.196 -2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 82 46.172 2.512 -3.508 1.00 0.00 H new ATOM 0 HE2 HIS A 82 46.975 4.383 -1.951 1.00 0.00 H new ATOM 1269 N GLY A 83 52.842 3.415 -6.404 1.00 0.00 N ATOM 1270 CA GLY A 83 53.899 3.286 -7.446 1.00 0.00 C ATOM 1271 C GLY A 83 54.381 4.676 -7.863 1.00 0.00 C ATOM 1272 O GLY A 83 53.762 5.675 -7.561 1.00 0.00 O ATOM 0 H GLY A 83 52.590 4.372 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.734 2.701 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 83 53.507 2.751 -8.311 1.00 0.00 H new ATOM 1276 N TYR A 84 55.486 4.745 -8.555 1.00 0.00 N ATOM 1277 CA TYR A 84 56.011 6.072 -8.991 1.00 0.00 C ATOM 1278 C TYR A 84 56.055 6.146 -10.521 1.00 0.00 C ATOM 1279 O TYR A 84 56.355 5.178 -11.190 1.00 0.00 O ATOM 1280 CB TYR A 84 57.422 6.147 -8.407 1.00 0.00 C ATOM 1281 CG TYR A 84 58.186 7.268 -9.068 1.00 0.00 C ATOM 1282 CD1 TYR A 84 57.567 8.505 -9.289 1.00 0.00 C ATOM 1283 CD2 TYR A 84 59.515 7.071 -9.461 1.00 0.00 C ATOM 1284 CE1 TYR A 84 58.278 9.544 -9.900 1.00 0.00 C ATOM 1285 CE2 TYR A 84 60.226 8.110 -10.072 1.00 0.00 C ATOM 1286 CZ TYR A 84 59.608 9.347 -10.292 1.00 0.00 C ATOM 1287 OH TYR A 84 60.309 10.372 -10.894 1.00 0.00 O ATOM 0 H TYR A 84 56.048 3.942 -8.837 1.00 0.00 H new ATOM 0 HA TYR A 84 55.385 6.898 -8.653 1.00 0.00 H new ATOM 0 HB2 TYR A 84 57.372 6.313 -7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 84 57.940 5.201 -8.560 1.00 0.00 H new ATOM 0 HD1 TYR A 84 56.541 8.657 -8.988 1.00 0.00 H new ATOM 0 HD2 TYR A 84 59.992 6.117 -9.293 1.00 0.00 H new ATOM 0 HE1 TYR A 84 57.801 10.498 -10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 84 61.252 7.958 -10.374 1.00 0.00 H new ATOM 0 HH TYR A 84 61.218 10.069 -11.102 1.00 0.00 H new ATOM 1297 N VAL A 85 55.757 7.288 -11.078 1.00 0.00 N ATOM 1298 CA VAL A 85 55.781 7.425 -12.561 1.00 0.00 C ATOM 1299 C VAL A 85 57.218 7.626 -13.052 1.00 0.00 C ATOM 1300 O VAL A 85 58.116 7.891 -12.278 1.00 0.00 O ATOM 1301 CB VAL A 85 54.938 8.665 -12.853 1.00 0.00 C ATOM 1302 CG1 VAL A 85 53.500 8.428 -12.391 1.00 0.00 C ATOM 1303 CG2 VAL A 85 55.523 9.865 -12.104 1.00 0.00 C ATOM 0 H VAL A 85 55.498 8.133 -10.569 1.00 0.00 H new ATOM 0 HA VAL A 85 55.396 6.539 -13.065 1.00 0.00 H new ATOM 0 HB VAL A 85 54.945 8.864 -13.925 1.00 0.00 H new ATOM 0 HG11 VAL A 85 52.900 9.314 -12.600 1.00 0.00 H new ATOM 0 HG12 VAL A 85 53.083 7.573 -12.923 1.00 0.00 H new ATOM 0 HG13 VAL A 85 53.490 8.228 -11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 85 54.923 10.751 -12.311 1.00 0.00 H new ATOM 0 HG22 VAL A 85 55.516 9.664 -11.033 1.00 0.00 H new ATOM 0 HG23 VAL A 85 56.548 10.036 -12.434 1.00 0.00 H new ATOM 1313 N SER A 86 57.440 7.504 -14.332 1.00 0.00 N ATOM 1314 CA SER A 86 58.819 7.691 -14.871 1.00 0.00 C ATOM 1315 C SER A 86 58.970 9.099 -15.456 1.00 0.00 C ATOM 1316 O SER A 86 59.196 9.267 -16.638 1.00 0.00 O ATOM 1317 CB SER A 86 58.962 6.638 -15.969 1.00 0.00 C ATOM 1318 OG SER A 86 60.342 6.410 -16.225 1.00 0.00 O ATOM 0 H SER A 86 56.728 7.283 -15.028 1.00 0.00 H new ATOM 0 HA SER A 86 59.582 7.582 -14.100 1.00 0.00 H new ATOM 0 HB2 SER A 86 58.479 5.710 -15.664 1.00 0.00 H new ATOM 0 HB3 SER A 86 58.462 6.974 -16.878 1.00 0.00 H new ATOM 0 HG SER A 86 60.437 5.734 -16.928 1.00 0.00 H new ATOM 1324 N ASP A 87 58.849 10.110 -14.640 1.00 0.00 N ATOM 1325 CA ASP A 87 58.987 11.503 -15.155 1.00 0.00 C ATOM 1326 C ASP A 87 60.425 11.758 -15.616 1.00 0.00 C ATOM 1327 O ASP A 87 60.686 12.846 -16.102 1.00 0.00 O ATOM 1328 CB ASP A 87 58.638 12.401 -13.968 1.00 0.00 C ATOM 1329 CG ASP A 87 57.838 13.608 -14.460 1.00 0.00 C ATOM 1330 OD1 ASP A 87 57.904 13.894 -15.644 1.00 0.00 O ATOM 1331 OD2 ASP A 87 57.173 14.225 -13.645 1.00 0.00 O ATOM 1332 OXT ASP A 87 61.239 10.859 -15.476 1.00 0.00 O ATOM 0 H ASP A 87 58.661 10.033 -13.640 1.00 0.00 H new ATOM 0 HA ASP A 87 58.341 11.691 -16.013 1.00 0.00 H new ATOM 0 HB2 ASP A 87 58.058 11.842 -13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 87 59.549 12.733 -13.470 1.00 0.00 H new TER 1337 ASP A 87