USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -158:sc= -3.67 (180deg=-5.98!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -5.15! USER MOD Single : A 20 HIS : no HE2:sc= -7.3! C(o=-7.3!,f=-7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 49:sc= 0.319 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -18.1! C(o=-18!,f=-19!) USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -0.0184 (180deg=-0.211) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 14.094 5.350 -7.841 1.00 0.00 N ATOM 37 CA MET A 1 12.731 4.856 -7.741 1.00 0.00 C ATOM 38 C MET A 1 11.899 5.295 -8.947 1.00 0.00 C ATOM 39 O MET A 1 11.640 6.484 -9.128 1.00 0.00 O ATOM 40 CB MET A 1 12.089 5.386 -6.457 1.00 0.00 C ATOM 41 CG MET A 1 10.570 5.488 -6.606 1.00 0.00 C ATOM 42 SD MET A 1 9.774 5.031 -5.075 1.00 0.00 S ATOM 43 CE MET A 1 10.301 3.330 -4.948 1.00 0.00 C ATOM 0 H1 MET A 1 14.638 5.039 -7.011 1.00 0.00 H new ATOM 0 H2 MET A 1 14.536 4.976 -8.705 1.00 0.00 H new ATOM 0 H3 MET A 1 14.085 6.389 -7.879 1.00 0.00 H new ATOM 0 HA MET A 1 12.760 3.767 -7.721 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.333 4.726 -5.625 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.501 6.366 -6.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.291 6.505 -6.881 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.231 4.836 -7.411 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.615 2.784 -4.300 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.304 2.875 -5.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.306 3.291 -4.528 1.00 0.00 H new ATOM 53 N ASP A 2 11.504 4.312 -9.742 1.00 0.00 N ATOM 54 CA ASP A 2 10.706 4.581 -10.926 1.00 0.00 C ATOM 55 C ASP A 2 9.389 3.808 -10.835 1.00 0.00 C ATOM 56 O ASP A 2 9.320 2.765 -10.188 1.00 0.00 O ATOM 57 CB ASP A 2 11.433 4.129 -12.194 1.00 0.00 C ATOM 58 CG ASP A 2 12.830 4.723 -12.386 1.00 0.00 C ATOM 59 OD1 ASP A 2 12.945 5.960 -12.243 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.751 3.928 -12.671 1.00 0.00 O ATOM 0 H ASP A 2 11.722 3.327 -9.589 1.00 0.00 H new ATOM 0 HA ASP A 2 10.528 5.655 -10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.516 3.042 -12.179 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.822 4.390 -13.058 1.00 0.00 H new ATOM 65 N LEU A 3 8.375 4.350 -11.494 1.00 0.00 N ATOM 66 CA LEU A 3 7.064 3.725 -11.496 1.00 0.00 C ATOM 67 C LEU A 3 7.190 2.286 -12.000 1.00 0.00 C ATOM 68 O LEU A 3 6.648 1.362 -11.396 1.00 0.00 O ATOM 69 CB LEU A 3 6.068 4.570 -12.293 1.00 0.00 C ATOM 70 CG LEU A 3 5.196 5.527 -11.477 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.338 4.762 -10.468 1.00 0.00 C ATOM 72 CD2 LEU A 3 6.048 6.605 -10.803 1.00 0.00 C ATOM 0 H LEU A 3 8.436 5.215 -12.030 1.00 0.00 H new ATOM 0 HA LEU A 3 6.665 3.675 -10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.623 5.153 -13.028 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.414 3.898 -12.848 1.00 0.00 H new ATOM 0 HG LEU A 3 4.515 6.034 -12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.728 5.466 -9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.689 4.064 -10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.984 4.210 -9.785 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.404 7.272 -10.230 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.769 6.134 -10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.578 7.178 -11.564 1.00 0.00 H new ATOM 84 N GLU A 4 7.910 2.140 -13.103 1.00 0.00 N ATOM 85 CA GLU A 4 8.115 0.829 -13.695 1.00 0.00 C ATOM 86 C GLU A 4 8.686 -0.139 -12.657 1.00 0.00 C ATOM 87 O GLU A 4 8.229 -1.276 -12.546 1.00 0.00 O ATOM 88 CB GLU A 4 9.026 0.918 -14.921 1.00 0.00 C ATOM 89 CG GLU A 4 10.397 1.485 -14.546 1.00 0.00 C ATOM 90 CD GLU A 4 11.221 1.800 -15.796 1.00 0.00 C ATOM 91 OE1 GLU A 4 11.852 0.852 -16.313 1.00 0.00 O ATOM 92 OE2 GLU A 4 11.203 2.980 -16.206 1.00 0.00 O ATOM 0 H GLU A 4 8.359 2.908 -13.602 1.00 0.00 H new ATOM 0 HA GLU A 4 7.150 0.447 -14.027 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.146 -0.072 -15.362 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.562 1.550 -15.678 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.270 2.390 -13.952 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.933 0.768 -13.924 1.00 0.00 H new ATOM 99 N THR A 5 9.676 0.347 -11.923 1.00 0.00 N ATOM 100 CA THR A 5 10.313 -0.461 -10.897 1.00 0.00 C ATOM 101 C THR A 5 9.374 -0.647 -9.704 1.00 0.00 C ATOM 102 O THR A 5 9.412 -1.678 -9.034 1.00 0.00 O ATOM 103 CB THR A 5 11.640 0.204 -10.528 1.00 0.00 C ATOM 104 OG1 THR A 5 12.567 -0.322 -11.473 1.00 0.00 O ATOM 105 CG2 THR A 5 12.177 -0.271 -9.176 1.00 0.00 C ATOM 0 H THR A 5 10.053 1.290 -12.018 1.00 0.00 H new ATOM 0 HA THR A 5 10.526 -1.466 -11.261 1.00 0.00 H new ATOM 0 HB THR A 5 11.510 1.286 -10.507 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.455 0.059 -11.307 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.120 0.232 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.455 -0.035 -8.394 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.339 -1.348 -9.207 1.00 0.00 H new ATOM 113 N LEU A 6 8.552 0.367 -9.475 1.00 0.00 N ATOM 114 CA LEU A 6 7.605 0.329 -8.374 1.00 0.00 C ATOM 115 C LEU A 6 6.785 -0.961 -8.457 1.00 0.00 C ATOM 116 O LEU A 6 6.509 -1.591 -7.438 1.00 0.00 O ATOM 117 CB LEU A 6 6.752 1.599 -8.357 1.00 0.00 C ATOM 118 CG LEU A 6 7.106 2.629 -7.282 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.400 1.947 -5.944 1.00 0.00 C ATOM 120 CD2 LEU A 6 8.262 3.521 -7.738 1.00 0.00 C ATOM 0 H LEU A 6 8.523 1.220 -10.034 1.00 0.00 H new ATOM 0 HA LEU A 6 8.131 0.313 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.831 2.079 -9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.709 1.311 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 6 6.242 3.275 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.649 2.702 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.521 1.391 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.240 1.262 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.494 4.244 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.140 2.906 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.977 4.049 -8.648 1.00 0.00 H new ATOM 132 N ARG A 7 6.420 -1.315 -9.681 1.00 0.00 N ATOM 133 CA ARG A 7 5.638 -2.517 -9.910 1.00 0.00 C ATOM 134 C ARG A 7 6.497 -3.762 -9.678 1.00 0.00 C ATOM 135 O ARG A 7 6.029 -4.747 -9.109 1.00 0.00 O ATOM 136 CB ARG A 7 5.081 -2.549 -11.335 1.00 0.00 C ATOM 137 CG ARG A 7 4.975 -1.137 -11.913 1.00 0.00 C ATOM 138 CD ARG A 7 3.728 -0.996 -12.789 1.00 0.00 C ATOM 139 NE ARG A 7 4.116 -0.918 -14.215 1.00 0.00 N ATOM 140 CZ ARG A 7 4.380 -1.986 -14.981 1.00 0.00 C ATOM 141 NH1 ARG A 7 4.297 -3.219 -14.463 1.00 0.00 N ATOM 142 NH2 ARG A 7 4.725 -1.821 -16.265 1.00 0.00 N ATOM 0 H ARG A 7 6.652 -0.790 -10.524 1.00 0.00 H new ATOM 0 HA ARG A 7 4.805 -2.509 -9.206 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.727 -3.158 -11.968 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.098 -3.021 -11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.938 -0.410 -11.102 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.865 -0.913 -12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.064 -1.846 -12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.174 -0.101 -12.505 1.00 0.00 H new ATOM 0 HE ARG A 7 4.187 0.006 -14.642 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.033 -3.345 -13.486 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.498 -4.032 -15.046 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.787 -0.883 -16.660 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.926 -2.634 -16.848 1.00 0.00 H new ATOM 156 N ALA A 8 7.740 -3.676 -10.129 1.00 0.00 N ATOM 157 CA ALA A 8 8.669 -4.783 -9.978 1.00 0.00 C ATOM 158 C ALA A 8 8.771 -5.159 -8.498 1.00 0.00 C ATOM 159 O ALA A 8 8.586 -6.320 -8.135 1.00 0.00 O ATOM 160 CB ALA A 8 10.024 -4.398 -10.576 1.00 0.00 C ATOM 0 H ALA A 8 8.125 -2.857 -10.599 1.00 0.00 H new ATOM 0 HA ALA A 8 8.312 -5.660 -10.518 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.721 -5.228 -10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.902 -4.168 -11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.415 -3.523 -10.057 1.00 0.00 H new ATOM 166 N ARG A 9 9.064 -4.155 -7.684 1.00 0.00 N ATOM 167 CA ARG A 9 9.193 -4.366 -6.252 1.00 0.00 C ATOM 168 C ARG A 9 7.820 -4.630 -5.630 1.00 0.00 C ATOM 169 O ARG A 9 7.698 -5.436 -4.708 1.00 0.00 O ATOM 170 CB ARG A 9 9.829 -3.152 -5.572 1.00 0.00 C ATOM 171 CG ARG A 9 9.519 -1.867 -6.342 1.00 0.00 C ATOM 172 CD ARG A 9 9.464 -0.663 -5.400 1.00 0.00 C ATOM 173 NE ARG A 9 10.366 0.404 -5.888 1.00 0.00 N ATOM 174 CZ ARG A 9 11.674 0.471 -5.602 1.00 0.00 C ATOM 175 NH1 ARG A 9 12.239 -0.465 -4.828 1.00 0.00 N ATOM 176 NH2 ARG A 9 12.415 1.475 -6.089 1.00 0.00 N ATOM 0 H ARG A 9 9.216 -3.194 -7.989 1.00 0.00 H new ATOM 0 HA ARG A 9 9.837 -5.232 -6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.458 -3.067 -4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.908 -3.290 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.281 -1.703 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.566 -1.971 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.443 -0.287 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.755 -0.965 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 9 9.968 1.134 -6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.674 -1.229 -4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.234 -0.414 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.984 2.188 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.410 1.526 -5.872 1.00 0.00 H new ATOM 190 N ARG A 10 6.823 -3.936 -6.157 1.00 0.00 N ATOM 191 CA ARG A 10 5.464 -4.086 -5.665 1.00 0.00 C ATOM 192 C ARG A 10 5.019 -5.546 -5.770 1.00 0.00 C ATOM 193 O ARG A 10 4.312 -6.048 -4.897 1.00 0.00 O ATOM 194 CB ARG A 10 4.492 -3.206 -6.453 1.00 0.00 C ATOM 195 CG ARG A 10 3.799 -2.196 -5.536 1.00 0.00 C ATOM 196 CD ARG A 10 4.761 -1.080 -5.123 1.00 0.00 C ATOM 197 NE ARG A 10 4.377 0.188 -5.783 1.00 0.00 N ATOM 198 CZ ARG A 10 3.188 0.785 -5.628 1.00 0.00 C ATOM 199 NH1 ARG A 10 2.259 0.233 -4.836 1.00 0.00 N ATOM 200 NH2 ARG A 10 2.928 1.935 -6.266 1.00 0.00 N ATOM 0 H ARG A 10 6.929 -3.268 -6.920 1.00 0.00 H new ATOM 0 HA ARG A 10 5.454 -3.774 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.030 -2.678 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.745 -3.831 -6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.937 -1.767 -6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.423 -2.704 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.744 -0.956 -4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.781 -1.348 -5.397 1.00 0.00 H new ATOM 0 HE ARG A 10 5.060 0.635 -6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.457 -0.642 -4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.354 0.688 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.635 2.355 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.023 2.390 -6.148 1.00 0.00 H new ATOM 214 N GLU A 11 5.451 -6.187 -6.846 1.00 0.00 N ATOM 215 CA GLU A 11 5.106 -7.580 -7.076 1.00 0.00 C ATOM 216 C GLU A 11 5.609 -8.449 -5.921 1.00 0.00 C ATOM 217 O GLU A 11 4.871 -9.287 -5.404 1.00 0.00 O ATOM 218 CB GLU A 11 5.665 -8.069 -8.414 1.00 0.00 C ATOM 219 CG GLU A 11 4.549 -8.231 -9.448 1.00 0.00 C ATOM 220 CD GLU A 11 3.882 -9.602 -9.324 1.00 0.00 C ATOM 221 OE1 GLU A 11 4.531 -10.588 -9.735 1.00 0.00 O ATOM 222 OE2 GLU A 11 2.738 -9.634 -8.822 1.00 0.00 O ATOM 0 H GLU A 11 6.037 -5.768 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 11 4.020 -7.663 -7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.407 -7.361 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.176 -9.022 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.805 -7.447 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.958 -8.111 -10.451 1.00 0.00 H new ATOM 229 N ALA A 12 6.860 -8.220 -5.551 1.00 0.00 N ATOM 230 CA ALA A 12 7.469 -8.972 -4.467 1.00 0.00 C ATOM 231 C ALA A 12 6.860 -8.525 -3.137 1.00 0.00 C ATOM 232 O ALA A 12 6.675 -9.336 -2.231 1.00 0.00 O ATOM 233 CB ALA A 12 8.987 -8.784 -4.505 1.00 0.00 C ATOM 0 H ALA A 12 7.469 -7.524 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 12 7.269 -10.038 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.444 -9.348 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.374 -9.143 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.226 -7.726 -4.392 1.00 0.00 H new ATOM 239 N VAL A 13 6.565 -7.235 -3.061 1.00 0.00 N ATOM 240 CA VAL A 13 5.980 -6.670 -1.857 1.00 0.00 C ATOM 241 C VAL A 13 4.570 -7.234 -1.667 1.00 0.00 C ATOM 242 O VAL A 13 4.147 -7.490 -0.541 1.00 0.00 O ATOM 243 CB VAL A 13 6.009 -5.142 -1.928 1.00 0.00 C ATOM 244 CG1 VAL A 13 5.062 -4.528 -0.895 1.00 0.00 C ATOM 245 CG2 VAL A 13 7.433 -4.612 -1.752 1.00 0.00 C ATOM 0 H VAL A 13 6.720 -6.565 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 13 6.563 -6.952 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 13 5.662 -4.845 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.101 -3.441 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.044 -4.868 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.365 -4.837 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.425 -3.523 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.820 -4.924 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.070 -5.010 -2.542 1.00 0.00 H new ATOM 255 N LEU A 14 3.882 -7.410 -2.785 1.00 0.00 N ATOM 256 CA LEU A 14 2.529 -7.938 -2.756 1.00 0.00 C ATOM 257 C LEU A 14 2.540 -9.321 -2.101 1.00 0.00 C ATOM 258 O LEU A 14 1.677 -9.629 -1.280 1.00 0.00 O ATOM 259 CB LEU A 14 1.919 -7.928 -4.159 1.00 0.00 C ATOM 260 CG LEU A 14 1.220 -6.632 -4.577 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.301 -6.788 -4.523 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.705 -5.451 -3.735 1.00 0.00 C ATOM 0 H LEU A 14 4.236 -7.196 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 14 1.885 -7.301 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.710 -8.140 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.199 -8.744 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 14 1.486 -6.419 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.774 -5.853 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.609 -7.585 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.605 -7.037 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.193 -4.543 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.489 -5.641 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.780 -5.326 -3.868 1.00 0.00 H new ATOM 274 N SER A 15 3.527 -10.116 -2.487 1.00 0.00 N ATOM 275 CA SER A 15 3.661 -11.458 -1.947 1.00 0.00 C ATOM 276 C SER A 15 4.081 -11.391 -0.478 1.00 0.00 C ATOM 277 O SER A 15 3.694 -12.242 0.322 1.00 0.00 O ATOM 278 CB SER A 15 4.673 -12.276 -2.752 1.00 0.00 C ATOM 279 OG SER A 15 4.231 -13.615 -2.961 1.00 0.00 O ATOM 0 H SER A 15 4.241 -9.856 -3.167 1.00 0.00 H new ATOM 0 HA SER A 15 2.693 -11.955 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.843 -11.796 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.629 -12.287 -2.228 1.00 0.00 H new ATOM 0 HG SER A 15 4.903 -14.104 -3.480 1.00 0.00 H new ATOM 285 N LEU A 16 4.868 -10.372 -0.166 1.00 0.00 N ATOM 286 CA LEU A 16 5.345 -10.183 1.193 1.00 0.00 C ATOM 287 C LEU A 16 4.207 -9.638 2.058 1.00 0.00 C ATOM 288 O LEU A 16 4.061 -10.026 3.216 1.00 0.00 O ATOM 289 CB LEU A 16 6.600 -9.307 1.204 1.00 0.00 C ATOM 290 CG LEU A 16 6.724 -8.328 2.373 1.00 0.00 C ATOM 291 CD1 LEU A 16 8.122 -7.709 2.424 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.627 -7.263 2.315 1.00 0.00 C ATOM 0 H LEU A 16 5.187 -9.668 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 16 5.646 -11.137 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.474 -9.959 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.630 -8.738 0.275 1.00 0.00 H new ATOM 0 HG LEU A 16 6.584 -8.884 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.183 -7.017 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.865 -8.497 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.316 -7.171 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.738 -6.580 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.710 -6.705 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.650 -7.744 2.364 1.00 0.00 H new ATOM 304 N CYS A 17 3.429 -8.746 1.462 1.00 0.00 N ATOM 305 CA CYS A 17 2.309 -8.143 2.162 1.00 0.00 C ATOM 306 C CYS A 17 1.397 -9.264 2.665 1.00 0.00 C ATOM 307 O CYS A 17 0.912 -9.216 3.794 1.00 0.00 O ATOM 308 CB CYS A 17 1.556 -7.149 1.276 1.00 0.00 C ATOM 309 SG CYS A 17 1.750 -5.452 1.933 1.00 0.00 S ATOM 0 H CYS A 17 3.553 -8.427 0.501 1.00 0.00 H new ATOM 0 HA CYS A 17 2.676 -7.566 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.936 -7.198 0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.499 -7.413 1.236 1.00 0.00 H new ATOM 0 HG CYS A 17 1.109 -4.616 1.172 1.00 0.00 H new ATOM 315 N ALA A 18 1.191 -10.247 1.801 1.00 0.00 N ATOM 316 CA ALA A 18 0.346 -11.379 2.143 1.00 0.00 C ATOM 317 C ALA A 18 0.922 -12.088 3.370 1.00 0.00 C ATOM 318 O ALA A 18 0.176 -12.543 4.236 1.00 0.00 O ATOM 319 CB ALA A 18 0.225 -12.310 0.935 1.00 0.00 C ATOM 0 H ALA A 18 1.594 -10.283 0.865 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.659 -11.044 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.409 -13.159 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.217 -11.767 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.214 -12.669 0.652 1.00 0.00 H new ATOM 325 N ARG A 19 2.245 -12.160 3.405 1.00 0.00 N ATOM 326 CA ARG A 19 2.930 -12.806 4.512 1.00 0.00 C ATOM 327 C ARG A 19 2.858 -11.930 5.765 1.00 0.00 C ATOM 328 O ARG A 19 2.918 -12.436 6.884 1.00 0.00 O ATOM 329 CB ARG A 19 4.397 -13.075 4.170 1.00 0.00 C ATOM 330 CG ARG A 19 4.534 -14.314 3.283 1.00 0.00 C ATOM 331 CD ARG A 19 5.741 -14.190 2.350 1.00 0.00 C ATOM 332 NE ARG A 19 5.500 -14.953 1.106 1.00 0.00 N ATOM 333 CZ ARG A 19 6.408 -15.111 0.133 1.00 0.00 C ATOM 334 NH1 ARG A 19 7.624 -14.561 0.256 1.00 0.00 N ATOM 335 NH2 ARG A 19 6.101 -15.820 -0.961 1.00 0.00 N ATOM 0 H ARG A 19 2.860 -11.782 2.685 1.00 0.00 H new ATOM 0 HA ARG A 19 2.432 -13.757 4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.820 -12.210 3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.968 -13.215 5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.641 -15.202 3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.626 -14.446 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.922 -13.141 2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.636 -14.564 2.848 1.00 0.00 H new ATOM 0 HE ARG A 19 4.585 -15.386 0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.858 -14.022 1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.315 -14.681 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.176 -16.240 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.792 -15.940 -1.701 1.00 0.00 H new ATOM 349 N HIS A 20 2.730 -10.632 5.534 1.00 0.00 N ATOM 350 CA HIS A 20 2.649 -9.681 6.629 1.00 0.00 C ATOM 351 C HIS A 20 1.216 -9.633 7.163 1.00 0.00 C ATOM 352 O HIS A 20 0.900 -8.822 8.032 1.00 0.00 O ATOM 353 CB HIS A 20 3.167 -8.308 6.197 1.00 0.00 C ATOM 354 CG HIS A 20 4.595 -8.033 6.606 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.993 -7.955 7.929 1.00 0.00 N ATOM 356 CD2 HIS A 20 5.712 -7.820 5.854 1.00 0.00 C ATOM 357 CE1 HIS A 20 6.294 -7.705 7.961 1.00 0.00 C ATOM 358 NE2 HIS A 20 6.737 -7.621 6.674 1.00 0.00 N ATOM 0 H HIS A 20 2.680 -10.216 4.604 1.00 0.00 H new ATOM 0 HA HIS A 20 3.293 -10.007 7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.088 -8.226 5.113 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.523 -7.538 6.622 1.00 0.00 H new ATOM 0 HD1 HIS A 20 4.388 -8.070 8.742 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.756 -7.814 4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.897 -7.588 8.849 1.00 0.00 H new ATOM 366 N GLY A 21 0.387 -10.512 6.619 1.00 0.00 N ATOM 367 CA GLY A 21 -1.005 -10.580 7.029 1.00 0.00 C ATOM 368 C GLY A 21 -1.922 -9.986 5.958 1.00 0.00 C ATOM 369 O GLY A 21 -3.097 -10.340 5.876 1.00 0.00 O ATOM 0 H GLY A 21 0.653 -11.183 5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.282 -11.617 7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.138 -10.041 7.967 1.00 0.00 H new ATOM 373 N ALA A 22 -1.350 -9.092 5.164 1.00 0.00 N ATOM 374 CA ALA A 22 -2.101 -8.446 4.102 1.00 0.00 C ATOM 375 C ALA A 22 -2.949 -9.490 3.374 1.00 0.00 C ATOM 376 O ALA A 22 -2.658 -10.684 3.435 1.00 0.00 O ATOM 377 CB ALA A 22 -1.135 -7.721 3.162 1.00 0.00 C ATOM 0 H ALA A 22 -0.375 -8.800 5.235 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.780 -7.699 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.698 -7.236 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.578 -6.970 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.440 -8.440 2.729 1.00 0.00 H new ATOM 383 N VAL A 23 -3.982 -9.004 2.702 1.00 0.00 N ATOM 384 CA VAL A 23 -4.875 -9.880 1.963 1.00 0.00 C ATOM 385 C VAL A 23 -5.389 -9.149 0.721 1.00 0.00 C ATOM 386 O VAL A 23 -5.348 -9.689 -0.383 1.00 0.00 O ATOM 387 CB VAL A 23 -6.000 -10.371 2.876 1.00 0.00 C ATOM 388 CG1 VAL A 23 -7.355 -9.829 2.417 1.00 0.00 C ATOM 389 CG2 VAL A 23 -6.018 -11.900 2.950 1.00 0.00 C ATOM 0 H VAL A 23 -4.221 -8.014 2.654 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.342 -10.767 1.620 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.808 -9.989 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.137 -10.193 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.338 -8.739 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.557 -10.168 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.827 -12.223 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.173 -12.311 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.067 -12.256 3.345 1.00 0.00 H new ATOM 399 N ARG A 24 -5.861 -7.931 0.944 1.00 0.00 N ATOM 400 CA ARG A 24 -6.382 -7.120 -0.143 1.00 0.00 C ATOM 401 C ARG A 24 -5.447 -5.941 -0.421 1.00 0.00 C ATOM 402 O ARG A 24 -5.822 -4.787 -0.221 1.00 0.00 O ATOM 403 CB ARG A 24 -7.778 -6.588 0.187 1.00 0.00 C ATOM 404 CG ARG A 24 -8.839 -7.672 -0.014 1.00 0.00 C ATOM 405 CD ARG A 24 -9.153 -7.863 -1.499 1.00 0.00 C ATOM 406 NE ARG A 24 -9.132 -9.303 -1.840 1.00 0.00 N ATOM 407 CZ ARG A 24 -10.115 -10.162 -1.536 1.00 0.00 C ATOM 408 NH1 ARG A 24 -11.202 -9.731 -0.882 1.00 0.00 N ATOM 409 NH2 ARG A 24 -10.010 -11.451 -1.885 1.00 0.00 N ATOM 0 H ARG A 24 -5.893 -7.486 1.861 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.447 -7.753 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.803 -6.237 1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.004 -5.731 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.488 -8.612 0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.748 -7.400 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.131 -7.441 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.423 -7.327 -2.105 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.318 -9.664 -2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.281 -8.750 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.950 -10.384 -0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.182 -11.779 -2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.758 -12.105 -1.654 1.00 0.00 H new ATOM 423 N VAL A 25 -4.249 -6.272 -0.878 1.00 0.00 N ATOM 424 CA VAL A 25 -3.258 -5.255 -1.185 1.00 0.00 C ATOM 425 C VAL A 25 -3.689 -4.492 -2.439 1.00 0.00 C ATOM 426 O VAL A 25 -3.949 -5.095 -3.479 1.00 0.00 O ATOM 427 CB VAL A 25 -1.875 -5.896 -1.321 1.00 0.00 C ATOM 428 CG1 VAL A 25 -0.788 -4.829 -1.472 1.00 0.00 C ATOM 429 CG2 VAL A 25 -1.578 -6.817 -0.136 1.00 0.00 C ATOM 0 H VAL A 25 -3.942 -7.230 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.188 -4.532 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.876 -6.504 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.185 -5.311 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.985 -4.232 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.788 -4.182 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.589 -7.259 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.606 -6.241 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.327 -7.608 -0.093 1.00 0.00 H new ATOM 439 N ARG A 26 -3.751 -3.176 -2.300 1.00 0.00 N ATOM 440 CA ARG A 26 -4.146 -2.323 -3.408 1.00 0.00 C ATOM 441 C ARG A 26 -3.508 -0.940 -3.268 1.00 0.00 C ATOM 442 O ARG A 26 -3.170 -0.518 -2.163 1.00 0.00 O ATOM 443 CB ARG A 26 -5.667 -2.172 -3.472 1.00 0.00 C ATOM 444 CG ARG A 26 -6.272 -3.139 -4.491 1.00 0.00 C ATOM 445 CD ARG A 26 -7.791 -3.227 -4.328 1.00 0.00 C ATOM 446 NE ARG A 26 -8.230 -4.637 -4.429 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.488 -5.015 -4.693 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.439 -4.091 -4.885 1.00 0.00 N ATOM 449 NH2 ARG A 26 -9.795 -6.317 -4.766 1.00 0.00 N ATOM 0 H ARG A 26 -3.534 -2.679 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.800 -2.794 -4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.096 -2.360 -2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.923 -1.147 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.030 -2.808 -5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.831 -4.128 -4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.086 -2.814 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.283 -2.629 -5.095 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.531 -5.367 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.205 -3.100 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.397 -4.379 -5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.071 -7.021 -4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.753 -6.605 -4.967 1.00 0.00 H new ATOM 463 N VAL A 27 -3.362 -0.273 -4.403 1.00 0.00 N ATOM 464 CA VAL A 27 -2.771 1.054 -4.421 1.00 0.00 C ATOM 465 C VAL A 27 -3.807 2.064 -4.918 1.00 0.00 C ATOM 466 O VAL A 27 -4.299 1.953 -6.040 1.00 0.00 O ATOM 467 CB VAL A 27 -1.493 1.047 -5.263 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.763 0.496 -6.664 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.873 2.444 -5.332 1.00 0.00 C ATOM 0 H VAL A 27 -3.643 -0.627 -5.317 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.480 1.355 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.775 0.387 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.839 0.502 -7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.137 -0.525 -6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.506 1.118 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.034 2.410 -5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.584 3.136 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.626 2.783 -4.326 1.00 0.00 H new ATOM 479 N PHE A 28 -4.109 3.025 -4.058 1.00 0.00 N ATOM 480 CA PHE A 28 -5.079 4.054 -4.395 1.00 0.00 C ATOM 481 C PHE A 28 -4.462 5.449 -4.278 1.00 0.00 C ATOM 482 O PHE A 28 -3.588 5.677 -3.443 1.00 0.00 O ATOM 483 CB PHE A 28 -6.228 3.932 -3.392 1.00 0.00 C ATOM 484 CG PHE A 28 -5.941 4.577 -2.035 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.238 3.895 -1.092 1.00 0.00 C ATOM 486 CD2 PHE A 28 -6.389 5.834 -1.772 1.00 0.00 C ATOM 487 CE1 PHE A 28 -4.971 4.494 0.167 1.00 0.00 C ATOM 488 CE2 PHE A 28 -6.123 6.434 -0.513 1.00 0.00 C ATOM 489 CZ PHE A 28 -5.419 5.751 0.430 1.00 0.00 C ATOM 0 H PHE A 28 -3.699 3.113 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.420 3.922 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.120 4.391 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.454 2.876 -3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.882 2.897 -1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.947 6.376 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.412 3.952 0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.479 7.432 -0.304 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.216 6.207 1.388 1.00 0.00 H new ATOM 499 N GLY A 29 -4.941 6.346 -5.127 1.00 0.00 N ATOM 500 CA GLY A 29 -4.447 7.713 -5.129 1.00 0.00 C ATOM 501 C GLY A 29 -3.880 8.089 -6.500 1.00 0.00 C ATOM 502 O GLY A 29 -4.225 7.475 -7.508 1.00 0.00 O ATOM 0 H GLY A 29 -5.666 6.153 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.255 8.396 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.674 7.825 -4.369 1.00 0.00 H new ATOM 506 N SER A 30 -3.019 9.095 -6.492 1.00 0.00 N ATOM 507 CA SER A 30 -2.400 9.560 -7.722 1.00 0.00 C ATOM 508 C SER A 30 -1.357 8.548 -8.198 1.00 0.00 C ATOM 509 O SER A 30 -1.140 8.393 -9.399 1.00 0.00 O ATOM 510 CB SER A 30 -1.756 10.935 -7.529 1.00 0.00 C ATOM 511 OG SER A 30 -2.512 11.970 -8.151 1.00 0.00 O ATOM 0 H SER A 30 -2.735 9.602 -5.653 1.00 0.00 H new ATOM 0 HA SER A 30 -3.177 9.656 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.662 11.145 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.747 10.924 -7.942 1.00 0.00 H new ATOM 0 HG SER A 30 -2.069 12.832 -8.004 1.00 0.00 H new ATOM 517 N VAL A 31 -0.738 7.885 -7.233 1.00 0.00 N ATOM 518 CA VAL A 31 0.278 6.892 -7.538 1.00 0.00 C ATOM 519 C VAL A 31 -0.332 5.800 -8.420 1.00 0.00 C ATOM 520 O VAL A 31 0.321 5.298 -9.333 1.00 0.00 O ATOM 521 CB VAL A 31 0.883 6.346 -6.243 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.725 5.098 -6.515 1.00 0.00 C ATOM 523 CG2 VAL A 31 1.707 7.419 -5.529 1.00 0.00 C ATOM 0 H VAL A 31 -0.921 8.016 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 31 1.097 7.343 -8.098 1.00 0.00 H new ATOM 0 HB VAL A 31 0.063 6.059 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.143 4.730 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.098 4.326 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.535 5.348 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.126 7.006 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.516 7.750 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.067 8.267 -5.285 1.00 0.00 H new ATOM 533 N ALA A 32 -1.577 5.465 -8.115 1.00 0.00 N ATOM 534 CA ALA A 32 -2.282 4.441 -8.868 1.00 0.00 C ATOM 535 C ALA A 32 -2.345 4.851 -10.341 1.00 0.00 C ATOM 536 O ALA A 32 -2.371 3.996 -11.225 1.00 0.00 O ATOM 537 CB ALA A 32 -3.671 4.228 -8.262 1.00 0.00 C ATOM 0 H ALA A 32 -2.116 5.884 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.753 3.490 -8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.200 3.460 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.570 3.911 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.233 5.161 -8.304 1.00 0.00 H new ATOM 543 N ARG A 33 -2.368 6.157 -10.558 1.00 0.00 N ATOM 544 CA ARG A 33 -2.427 6.690 -11.909 1.00 0.00 C ATOM 545 C ARG A 33 -1.015 6.892 -12.462 1.00 0.00 C ATOM 546 O ARG A 33 -0.837 7.091 -13.663 1.00 0.00 O ATOM 547 CB ARG A 33 -3.176 8.024 -11.943 1.00 0.00 C ATOM 548 CG ARG A 33 -4.599 7.840 -12.473 1.00 0.00 C ATOM 549 CD ARG A 33 -4.592 7.566 -13.979 1.00 0.00 C ATOM 550 NE ARG A 33 -5.961 7.244 -14.441 1.00 0.00 N ATOM 551 CZ ARG A 33 -6.236 6.594 -15.580 1.00 0.00 C ATOM 552 NH1 ARG A 33 -5.238 6.193 -16.380 1.00 0.00 N ATOM 553 NH2 ARG A 33 -7.508 6.346 -15.919 1.00 0.00 N ATOM 0 H ARG A 33 -2.347 6.862 -9.822 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.963 5.969 -12.526 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.210 8.452 -10.941 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.638 8.731 -12.574 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.081 7.013 -11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.187 8.734 -12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.214 8.437 -14.514 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.919 6.738 -14.203 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.744 7.535 -13.856 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.270 6.383 -16.122 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.447 5.698 -17.247 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.267 6.652 -15.310 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.718 5.851 -16.786 1.00 0.00 H new ATOM 567 N GLY A 34 -0.046 6.833 -11.560 1.00 0.00 N ATOM 568 CA GLY A 34 1.345 7.007 -11.943 1.00 0.00 C ATOM 569 C GLY A 34 1.818 8.434 -11.657 1.00 0.00 C ATOM 570 O GLY A 34 2.581 9.006 -12.434 1.00 0.00 O ATOM 0 H GLY A 34 -0.197 6.667 -10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.968 6.298 -11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.464 6.786 -13.004 1.00 0.00 H new ATOM 574 N GLU A 35 1.344 8.968 -10.541 1.00 0.00 N ATOM 575 CA GLU A 35 1.709 10.317 -10.143 1.00 0.00 C ATOM 576 C GLU A 35 2.195 10.330 -8.692 1.00 0.00 C ATOM 577 O GLU A 35 1.495 9.861 -7.795 1.00 0.00 O ATOM 578 CB GLU A 35 0.538 11.282 -10.338 1.00 0.00 C ATOM 579 CG GLU A 35 0.337 11.609 -11.819 1.00 0.00 C ATOM 580 CD GLU A 35 0.036 13.096 -12.016 1.00 0.00 C ATOM 581 OE1 GLU A 35 -0.650 13.658 -11.135 1.00 0.00 O ATOM 582 OE2 GLU A 35 0.498 13.638 -13.043 1.00 0.00 O ATOM 0 H GLU A 35 0.710 8.491 -9.900 1.00 0.00 H new ATOM 0 HA GLU A 35 2.525 10.655 -10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.373 10.841 -9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.723 12.201 -9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.232 11.338 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.483 11.012 -12.219 1.00 0.00 H new ATOM 589 N ALA A 36 3.390 10.871 -8.506 1.00 0.00 N ATOM 590 CA ALA A 36 3.977 10.951 -7.179 1.00 0.00 C ATOM 591 C ALA A 36 5.292 11.730 -7.254 1.00 0.00 C ATOM 592 O ALA A 36 5.570 12.390 -8.254 1.00 0.00 O ATOM 593 CB ALA A 36 4.166 9.540 -6.619 1.00 0.00 C ATOM 0 H ALA A 36 3.968 11.258 -9.252 1.00 0.00 H new ATOM 0 HA ALA A 36 3.315 11.486 -6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.606 9.600 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.199 9.040 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.827 8.974 -7.275 1.00 0.00 H new ATOM 599 N ARG A 37 6.066 11.626 -6.184 1.00 0.00 N ATOM 600 CA ARG A 37 7.344 12.313 -6.116 1.00 0.00 C ATOM 601 C ARG A 37 8.246 11.652 -5.071 1.00 0.00 C ATOM 602 O ARG A 37 7.818 10.743 -4.362 1.00 0.00 O ATOM 603 CB ARG A 37 7.159 13.789 -5.759 1.00 0.00 C ATOM 604 CG ARG A 37 5.833 14.014 -5.030 1.00 0.00 C ATOM 605 CD ARG A 37 4.763 14.542 -5.989 1.00 0.00 C ATOM 606 NE ARG A 37 4.887 16.011 -6.126 1.00 0.00 N ATOM 607 CZ ARG A 37 4.019 16.778 -6.798 1.00 0.00 C ATOM 608 NH1 ARG A 37 2.957 16.222 -7.398 1.00 0.00 N ATOM 609 NH2 ARG A 37 4.211 18.102 -6.871 1.00 0.00 N ATOM 0 H ARG A 37 5.833 11.076 -5.357 1.00 0.00 H new ATOM 0 HA ARG A 37 7.809 12.245 -7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.985 14.121 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.186 14.393 -6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.496 13.079 -4.583 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.978 14.723 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.871 14.067 -6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.771 14.285 -5.617 1.00 0.00 H new ATOM 0 HE ARG A 37 5.683 16.467 -5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.810 15.214 -7.343 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.296 16.807 -7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.019 18.526 -6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.550 18.686 -7.383 1.00 0.00 H new ATOM 623 N GLU A 38 9.478 12.136 -5.009 1.00 0.00 N ATOM 624 CA GLU A 38 10.444 11.604 -4.063 1.00 0.00 C ATOM 625 C GLU A 38 10.250 12.247 -2.688 1.00 0.00 C ATOM 626 O GLU A 38 10.720 11.720 -1.681 1.00 0.00 O ATOM 627 CB GLU A 38 11.875 11.807 -4.567 1.00 0.00 C ATOM 628 CG GLU A 38 12.112 13.264 -4.968 1.00 0.00 C ATOM 629 CD GLU A 38 13.346 13.833 -4.264 1.00 0.00 C ATOM 630 OE1 GLU A 38 13.370 13.762 -3.016 1.00 0.00 O ATOM 631 OE2 GLU A 38 14.237 14.326 -4.989 1.00 0.00 O ATOM 0 H GLU A 38 9.829 12.891 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 38 10.277 10.531 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.583 11.520 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.059 11.156 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.242 13.331 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.236 13.862 -4.715 1.00 0.00 H new ATOM 638 N ASP A 39 9.557 13.376 -2.691 1.00 0.00 N ATOM 639 CA ASP A 39 9.295 14.096 -1.457 1.00 0.00 C ATOM 640 C ASP A 39 7.807 13.993 -1.117 1.00 0.00 C ATOM 641 O ASP A 39 7.106 15.003 -1.071 1.00 0.00 O ATOM 642 CB ASP A 39 9.646 15.579 -1.599 1.00 0.00 C ATOM 643 CG ASP A 39 9.981 16.293 -0.288 1.00 0.00 C ATOM 644 OD1 ASP A 39 9.028 16.795 0.345 1.00 0.00 O ATOM 645 OD2 ASP A 39 11.184 16.321 0.051 1.00 0.00 O ATOM 0 H ASP A 39 9.169 13.810 -3.529 1.00 0.00 H new ATOM 0 HA ASP A 39 9.909 13.654 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.497 15.672 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.808 16.092 -2.070 1.00 0.00 H new ATOM 650 N SER A 40 7.369 12.764 -0.888 1.00 0.00 N ATOM 651 CA SER A 40 5.977 12.515 -0.554 1.00 0.00 C ATOM 652 C SER A 40 5.802 11.072 -0.079 1.00 0.00 C ATOM 653 O SER A 40 6.781 10.343 0.076 1.00 0.00 O ATOM 654 CB SER A 40 5.065 12.795 -1.750 1.00 0.00 C ATOM 655 OG SER A 40 4.404 14.052 -1.636 1.00 0.00 O ATOM 0 H SER A 40 7.954 11.929 -0.927 1.00 0.00 H new ATOM 0 HA SER A 40 5.693 13.192 0.252 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.654 12.777 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.322 12.001 -1.833 1.00 0.00 H new ATOM 0 HG SER A 40 5.057 14.745 -1.403 1.00 0.00 H new ATOM 661 N ASP A 41 4.549 10.701 0.138 1.00 0.00 N ATOM 662 CA ASP A 41 4.233 9.358 0.592 1.00 0.00 C ATOM 663 C ASP A 41 3.353 8.665 -0.450 1.00 0.00 C ATOM 664 O ASP A 41 2.779 9.322 -1.317 1.00 0.00 O ATOM 665 CB ASP A 41 3.465 9.389 1.915 1.00 0.00 C ATOM 666 CG ASP A 41 2.458 10.533 2.050 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.345 10.378 1.503 1.00 0.00 O ATOM 668 OD2 ASP A 41 2.824 11.538 2.698 1.00 0.00 O ATOM 0 H ASP A 41 3.740 11.308 0.008 1.00 0.00 H new ATOM 0 HA ASP A 41 5.171 8.821 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.936 8.443 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.182 9.458 2.733 1.00 0.00 H new ATOM 673 N LEU A 42 3.274 7.348 -0.330 1.00 0.00 N ATOM 674 CA LEU A 42 2.473 6.560 -1.251 1.00 0.00 C ATOM 675 C LEU A 42 1.300 5.934 -0.493 1.00 0.00 C ATOM 676 O LEU A 42 1.503 5.155 0.437 1.00 0.00 O ATOM 677 CB LEU A 42 3.347 5.539 -1.983 1.00 0.00 C ATOM 678 CG LEU A 42 2.735 4.907 -3.235 1.00 0.00 C ATOM 679 CD1 LEU A 42 3.347 3.532 -3.509 1.00 0.00 C ATOM 680 CD2 LEU A 42 1.210 4.845 -3.128 1.00 0.00 C ATOM 0 H LEU A 42 3.751 6.807 0.391 1.00 0.00 H new ATOM 0 HA LEU A 42 2.048 7.197 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.281 6.026 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.602 4.741 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 42 2.972 5.541 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.895 3.104 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.422 3.635 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.161 2.875 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.800 4.392 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.930 4.246 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.812 5.853 -3.015 1.00 0.00 H new ATOM 692 N ASP A 43 0.100 6.299 -0.919 1.00 0.00 N ATOM 693 CA ASP A 43 -1.105 5.783 -0.292 1.00 0.00 C ATOM 694 C ASP A 43 -1.391 4.378 -0.826 1.00 0.00 C ATOM 695 O ASP A 43 -1.709 4.210 -2.003 1.00 0.00 O ATOM 696 CB ASP A 43 -2.313 6.665 -0.612 1.00 0.00 C ATOM 697 CG ASP A 43 -2.281 8.059 0.017 1.00 0.00 C ATOM 698 OD1 ASP A 43 -1.489 8.888 -0.480 1.00 0.00 O ATOM 699 OD2 ASP A 43 -3.049 8.264 0.982 1.00 0.00 O ATOM 0 H ASP A 43 -0.064 6.946 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.944 5.768 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.389 6.773 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.216 6.153 -0.279 1.00 0.00 H new ATOM 704 N LEU A 44 -1.267 3.404 0.064 1.00 0.00 N ATOM 705 CA LEU A 44 -1.508 2.019 -0.303 1.00 0.00 C ATOM 706 C LEU A 44 -2.665 1.468 0.533 1.00 0.00 C ATOM 707 O LEU A 44 -2.627 1.520 1.762 1.00 0.00 O ATOM 708 CB LEU A 44 -0.220 1.202 -0.185 1.00 0.00 C ATOM 709 CG LEU A 44 0.976 1.716 -0.988 1.00 0.00 C ATOM 710 CD1 LEU A 44 2.290 1.178 -0.418 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.820 1.390 -2.475 1.00 0.00 C ATOM 0 H LEU A 44 -1.003 3.547 1.039 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.808 1.948 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.065 1.159 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.431 0.180 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 44 1.006 2.802 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.125 1.558 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.398 1.503 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.285 0.089 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.684 1.767 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.750 0.310 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.086 1.861 -2.858 1.00 0.00 H new ATOM 723 N LEU A 45 -3.666 0.954 -0.166 1.00 0.00 N ATOM 724 CA LEU A 45 -4.832 0.394 0.497 1.00 0.00 C ATOM 725 C LEU A 45 -4.663 -1.121 0.623 1.00 0.00 C ATOM 726 O LEU A 45 -4.599 -1.828 -0.382 1.00 0.00 O ATOM 727 CB LEU A 45 -6.113 0.812 -0.228 1.00 0.00 C ATOM 728 CG LEU A 45 -7.415 0.220 0.315 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.516 0.416 1.830 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.627 0.796 -0.419 1.00 0.00 C ATOM 0 H LEU A 45 -3.694 0.913 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.922 0.790 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.189 1.899 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.020 0.533 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.406 -0.854 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.450 -0.014 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.677 -0.080 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.493 1.481 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.539 0.359 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.653 1.878 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.554 0.563 -1.481 1.00 0.00 H new ATOM 742 N VAL A 46 -4.596 -1.576 1.865 1.00 0.00 N ATOM 743 CA VAL A 46 -4.435 -2.994 2.136 1.00 0.00 C ATOM 744 C VAL A 46 -5.423 -3.416 3.225 1.00 0.00 C ATOM 745 O VAL A 46 -5.913 -2.580 3.982 1.00 0.00 O ATOM 746 CB VAL A 46 -2.980 -3.297 2.498 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.080 -3.218 1.264 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.484 -2.359 3.600 1.00 0.00 C ATOM 0 H VAL A 46 -4.650 -0.987 2.696 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.662 -3.581 1.246 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.935 -4.317 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.051 -3.438 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.414 -3.944 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.133 -2.216 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.447 -2.595 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.551 -1.327 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.100 -2.486 4.490 1.00 0.00 H new ATOM 758 N ALA A 47 -5.687 -4.714 3.270 1.00 0.00 N ATOM 759 CA ALA A 47 -6.608 -5.257 4.254 1.00 0.00 C ATOM 760 C ALA A 47 -5.933 -6.415 4.993 1.00 0.00 C ATOM 761 O ALA A 47 -5.521 -7.395 4.374 1.00 0.00 O ATOM 762 CB ALA A 47 -7.903 -5.684 3.560 1.00 0.00 C ATOM 0 H ALA A 47 -5.279 -5.405 2.641 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.869 -4.501 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.594 -6.091 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.358 -4.820 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.681 -6.445 2.812 1.00 0.00 H new ATOM 768 N PHE A 48 -5.841 -6.264 6.306 1.00 0.00 N ATOM 769 CA PHE A 48 -5.224 -7.284 7.135 1.00 0.00 C ATOM 770 C PHE A 48 -6.268 -8.274 7.656 1.00 0.00 C ATOM 771 O PHE A 48 -7.282 -7.871 8.224 1.00 0.00 O ATOM 772 CB PHE A 48 -4.582 -6.566 8.324 1.00 0.00 C ATOM 773 CG PHE A 48 -3.298 -5.811 7.976 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.362 -4.522 7.547 1.00 0.00 C ATOM 775 CD2 PHE A 48 -2.092 -6.428 8.095 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.171 -3.821 7.224 1.00 0.00 C ATOM 777 CE2 PHE A 48 -0.900 -5.727 7.771 1.00 0.00 C ATOM 778 CZ PHE A 48 -0.965 -4.438 7.343 1.00 0.00 C ATOM 0 H PHE A 48 -6.184 -5.450 6.816 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.491 -7.843 6.553 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.302 -5.863 8.743 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.362 -7.298 9.101 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.320 -4.032 7.452 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.041 -7.451 8.436 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.222 -2.797 6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.058 -6.218 7.865 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.059 -3.904 7.098 1.00 0.00 H new ATOM 788 N GLU A 49 -5.985 -9.550 7.442 1.00 0.00 N ATOM 789 CA GLU A 49 -6.887 -10.601 7.883 1.00 0.00 C ATOM 790 C GLU A 49 -7.106 -10.513 9.394 1.00 0.00 C ATOM 791 O GLU A 49 -6.804 -9.493 10.011 1.00 0.00 O ATOM 792 CB GLU A 49 -6.358 -11.980 7.484 1.00 0.00 C ATOM 793 CG GLU A 49 -5.924 -11.999 6.017 1.00 0.00 C ATOM 794 CD GLU A 49 -5.922 -13.425 5.464 1.00 0.00 C ATOM 795 OE1 GLU A 49 -7.022 -14.016 5.414 1.00 0.00 O ATOM 796 OE2 GLU A 49 -4.820 -13.892 5.104 1.00 0.00 O ATOM 0 H GLU A 49 -5.144 -9.880 6.969 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.848 -10.460 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.514 -12.247 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.131 -12.731 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.597 -11.377 5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.927 -11.567 5.923 1.00 0.00 H new ATOM 803 N GLU A 50 -7.631 -11.597 9.948 1.00 0.00 N ATOM 804 CA GLU A 50 -7.894 -11.655 11.376 1.00 0.00 C ATOM 805 C GLU A 50 -6.698 -12.264 12.111 1.00 0.00 C ATOM 806 O GLU A 50 -6.234 -13.347 11.759 1.00 0.00 O ATOM 807 CB GLU A 50 -9.174 -12.441 11.665 1.00 0.00 C ATOM 808 CG GLU A 50 -9.098 -13.129 13.030 1.00 0.00 C ATOM 809 CD GLU A 50 -10.497 -13.458 13.557 1.00 0.00 C ATOM 810 OE1 GLU A 50 -11.297 -13.981 12.753 1.00 0.00 O ATOM 811 OE2 GLU A 50 -10.733 -13.178 14.752 1.00 0.00 O ATOM 0 H GLU A 50 -7.881 -12.442 9.434 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.041 -10.639 11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.032 -11.769 11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.331 -13.187 10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.512 -14.044 12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.581 -12.482 13.739 1.00 0.00 H new ATOM 818 N GLY A 51 -6.235 -11.540 13.120 1.00 0.00 N ATOM 819 CA GLY A 51 -5.102 -11.996 13.908 1.00 0.00 C ATOM 820 C GLY A 51 -3.933 -11.014 13.806 1.00 0.00 C ATOM 821 O GLY A 51 -3.075 -10.971 14.687 1.00 0.00 O ATOM 0 H GLY A 51 -6.623 -10.642 13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.400 -12.105 14.951 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.786 -12.980 13.562 1.00 0.00 H new ATOM 825 N ARG A 52 -3.936 -10.250 12.724 1.00 0.00 N ATOM 826 CA ARG A 52 -2.887 -9.272 12.495 1.00 0.00 C ATOM 827 C ARG A 52 -3.111 -8.037 13.370 1.00 0.00 C ATOM 828 O ARG A 52 -4.251 -7.678 13.663 1.00 0.00 O ATOM 829 CB ARG A 52 -2.842 -8.846 11.026 1.00 0.00 C ATOM 830 CG ARG A 52 -2.879 -10.063 10.100 1.00 0.00 C ATOM 831 CD ARG A 52 -1.741 -11.034 10.425 1.00 0.00 C ATOM 832 NE ARG A 52 -2.276 -12.228 11.116 1.00 0.00 N ATOM 833 CZ ARG A 52 -1.530 -13.078 11.833 1.00 0.00 C ATOM 834 NH1 ARG A 52 -0.212 -12.872 11.958 1.00 0.00 N ATOM 835 NH2 ARG A 52 -2.101 -14.136 12.426 1.00 0.00 N ATOM 0 H ARG A 52 -4.649 -10.289 11.996 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.937 -9.739 12.756 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.687 -8.193 10.807 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.936 -8.270 10.839 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.837 -10.573 10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.799 -9.738 9.063 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.233 -11.332 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.000 -10.541 11.054 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.276 -12.415 11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.223 -12.067 11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.356 -13.520 12.504 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.104 -14.294 12.331 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.532 -14.783 12.972 1.00 0.00 H new ATOM 849 N THR A 53 -2.006 -7.421 13.764 1.00 0.00 N ATOM 850 CA THR A 53 -2.068 -6.235 14.600 1.00 0.00 C ATOM 851 C THR A 53 -1.207 -5.118 14.006 1.00 0.00 C ATOM 852 O THR A 53 -0.482 -5.337 13.037 1.00 0.00 O ATOM 853 CB THR A 53 -1.654 -6.633 16.018 1.00 0.00 C ATOM 854 OG1 THR A 53 -0.376 -7.241 15.848 1.00 0.00 O ATOM 855 CG2 THR A 53 -2.526 -7.752 16.590 1.00 0.00 C ATOM 0 H THR A 53 -1.062 -7.721 13.519 1.00 0.00 H new ATOM 0 HA THR A 53 -3.081 -5.834 14.643 1.00 0.00 H new ATOM 0 HB THR A 53 -1.708 -5.761 16.670 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.032 -7.528 16.720 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.190 -7.996 17.598 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.565 -7.423 16.624 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.446 -8.636 15.957 1.00 0.00 H new ATOM 863 N LEU A 54 -1.315 -3.945 14.612 1.00 0.00 N ATOM 864 CA LEU A 54 -0.555 -2.794 14.156 1.00 0.00 C ATOM 865 C LEU A 54 0.938 -3.123 14.202 1.00 0.00 C ATOM 866 O LEU A 54 1.715 -2.616 13.395 1.00 0.00 O ATOM 867 CB LEU A 54 -0.935 -1.548 14.958 1.00 0.00 C ATOM 868 CG LEU A 54 -1.670 -0.451 14.186 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.768 0.162 13.113 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.982 -0.978 13.600 1.00 0.00 C ATOM 0 H LEU A 54 -1.918 -3.767 15.415 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.799 -2.564 13.119 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.561 -1.856 15.796 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.025 -1.121 15.380 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.927 0.346 14.884 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.315 0.939 12.579 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.114 0.597 13.584 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.460 -0.613 12.411 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.485 -0.178 13.056 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.771 -1.803 12.919 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.626 -1.329 14.407 1.00 0.00 H new ATOM 882 N LEU A 55 1.295 -3.971 15.156 1.00 0.00 N ATOM 883 CA LEU A 55 2.682 -4.374 15.319 1.00 0.00 C ATOM 884 C LEU A 55 3.201 -4.945 13.998 1.00 0.00 C ATOM 885 O LEU A 55 4.312 -4.629 13.574 1.00 0.00 O ATOM 886 CB LEU A 55 2.826 -5.333 16.502 1.00 0.00 C ATOM 887 CG LEU A 55 3.744 -4.868 17.634 1.00 0.00 C ATOM 888 CD1 LEU A 55 5.100 -4.415 17.090 1.00 0.00 C ATOM 889 CD2 LEU A 55 3.072 -3.780 18.474 1.00 0.00 C ATOM 0 H LEU A 55 0.648 -4.390 15.824 1.00 0.00 H new ATOM 0 HA LEU A 55 3.303 -3.512 15.560 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.835 -5.518 16.917 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.198 -6.287 16.128 1.00 0.00 H new ATOM 0 HG LEU A 55 3.928 -5.716 18.293 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.733 -4.090 17.916 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.579 -5.245 16.571 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.955 -3.587 16.396 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.746 -3.468 19.271 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.838 -2.924 17.841 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.153 -4.172 18.909 1.00 0.00 H new ATOM 901 N ASP A 56 2.372 -5.776 13.383 1.00 0.00 N ATOM 902 CA ASP A 56 2.733 -6.394 12.118 1.00 0.00 C ATOM 903 C ASP A 56 2.770 -5.324 11.025 1.00 0.00 C ATOM 904 O ASP A 56 3.614 -5.374 10.131 1.00 0.00 O ATOM 905 CB ASP A 56 1.707 -7.452 11.710 1.00 0.00 C ATOM 906 CG ASP A 56 1.796 -8.771 12.481 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.941 -9.195 12.750 1.00 0.00 O ATOM 908 OD2 ASP A 56 0.717 -9.325 12.784 1.00 0.00 O ATOM 0 H ASP A 56 1.451 -6.036 13.737 1.00 0.00 H new ATOM 0 HA ASP A 56 3.708 -6.865 12.239 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.708 -7.038 11.843 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.826 -7.661 10.647 1.00 0.00 H new ATOM 913 N HIS A 57 1.846 -4.381 11.132 1.00 0.00 N ATOM 914 CA HIS A 57 1.762 -3.301 10.164 1.00 0.00 C ATOM 915 C HIS A 57 3.085 -2.534 10.136 1.00 0.00 C ATOM 916 O HIS A 57 3.609 -2.233 9.065 1.00 0.00 O ATOM 917 CB HIS A 57 0.560 -2.401 10.457 1.00 0.00 C ATOM 918 CG HIS A 57 -0.775 -3.088 10.298 1.00 0.00 C ATOM 919 ND1 HIS A 57 -1.932 -2.408 9.959 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.125 -4.399 10.434 1.00 0.00 C ATOM 921 CE1 HIS A 57 -2.927 -3.281 9.898 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.425 -4.514 10.193 1.00 0.00 N ATOM 0 H HIS A 57 1.148 -4.342 11.875 1.00 0.00 H new ATOM 0 HA HIS A 57 1.599 -3.712 9.168 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.643 -2.022 11.476 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.595 -1.538 9.792 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.457 -5.207 10.694 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.955 -3.055 9.657 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.960 -5.382 10.223 1.00 0.00 H new ATOM 930 N ALA A 58 3.587 -2.239 11.326 1.00 0.00 N ATOM 931 CA ALA A 58 4.838 -1.512 11.451 1.00 0.00 C ATOM 932 C ALA A 58 5.948 -2.290 10.741 1.00 0.00 C ATOM 933 O ALA A 58 6.783 -1.702 10.055 1.00 0.00 O ATOM 934 CB ALA A 58 5.146 -1.276 12.931 1.00 0.00 C ATOM 0 H ALA A 58 3.150 -2.491 12.212 1.00 0.00 H new ATOM 0 HA ALA A 58 4.763 -0.535 10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.085 -0.730 13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.342 -0.694 13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.231 -2.235 13.442 1.00 0.00 H new ATOM 940 N ARG A 59 5.922 -3.601 10.931 1.00 0.00 N ATOM 941 CA ARG A 59 6.916 -4.466 10.318 1.00 0.00 C ATOM 942 C ARG A 59 6.705 -4.525 8.803 1.00 0.00 C ATOM 943 O ARG A 59 7.667 -4.611 8.042 1.00 0.00 O ATOM 944 CB ARG A 59 6.843 -5.882 10.892 1.00 0.00 C ATOM 945 CG ARG A 59 7.109 -5.877 12.398 1.00 0.00 C ATOM 946 CD ARG A 59 8.581 -6.173 12.696 1.00 0.00 C ATOM 947 NE ARG A 59 9.017 -5.415 13.890 1.00 0.00 N ATOM 948 CZ ARG A 59 8.804 -5.813 15.152 1.00 0.00 C ATOM 949 NH1 ARG A 59 8.157 -6.962 15.392 1.00 0.00 N ATOM 950 NH2 ARG A 59 9.236 -5.061 16.173 1.00 0.00 N ATOM 0 H ARG A 59 5.228 -4.085 11.501 1.00 0.00 H new ATOM 0 HA ARG A 59 7.899 -4.049 10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.859 -6.308 10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.573 -6.519 10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.838 -4.907 12.816 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.479 -6.621 12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.719 -7.241 12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.196 -5.902 11.838 1.00 0.00 H new ATOM 0 HE ARG A 59 9.511 -4.534 13.743 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.827 -7.533 14.614 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.995 -7.265 16.352 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.727 -4.186 15.990 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.074 -5.364 17.134 1.00 0.00 H new ATOM 964 N LEU A 60 5.440 -4.477 8.412 1.00 0.00 N ATOM 965 CA LEU A 60 5.091 -4.525 7.002 1.00 0.00 C ATOM 966 C LEU A 60 5.514 -3.216 6.332 1.00 0.00 C ATOM 967 O LEU A 60 6.143 -3.230 5.275 1.00 0.00 O ATOM 968 CB LEU A 60 3.607 -4.853 6.828 1.00 0.00 C ATOM 969 CG LEU A 60 3.095 -4.903 5.387 1.00 0.00 C ATOM 970 CD1 LEU A 60 4.131 -5.542 4.459 1.00 0.00 C ATOM 971 CD2 LEU A 60 1.742 -5.613 5.310 1.00 0.00 C ATOM 0 H LEU A 60 4.645 -4.405 9.046 1.00 0.00 H new ATOM 0 HA LEU A 60 5.632 -5.329 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.411 -5.818 7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.025 -4.110 7.374 1.00 0.00 H new ATOM 0 HG LEU A 60 2.942 -3.880 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.742 -5.565 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.051 -4.957 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.339 -6.559 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.401 -5.635 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.845 -6.633 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.015 -5.078 5.921 1.00 0.00 H new ATOM 983 N LYS A 61 5.151 -2.115 6.975 1.00 0.00 N ATOM 984 CA LYS A 61 5.484 -0.800 6.454 1.00 0.00 C ATOM 985 C LYS A 61 7.002 -0.688 6.298 1.00 0.00 C ATOM 986 O LYS A 61 7.493 -0.277 5.248 1.00 0.00 O ATOM 987 CB LYS A 61 4.874 0.294 7.332 1.00 0.00 C ATOM 988 CG LYS A 61 5.233 1.685 6.804 1.00 0.00 C ATOM 989 CD LYS A 61 6.704 2.010 7.072 1.00 0.00 C ATOM 990 CE LYS A 61 6.902 3.512 7.289 1.00 0.00 C ATOM 991 NZ LYS A 61 6.361 3.921 8.605 1.00 0.00 N ATOM 0 H LYS A 61 4.630 -2.107 7.852 1.00 0.00 H new ATOM 0 HA LYS A 61 5.050 -0.661 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.790 0.180 7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.233 0.186 8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.035 1.734 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.599 2.433 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.047 1.464 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.313 1.677 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.963 3.757 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.404 4.069 6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.798 4.819 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.331 4.044 8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.574 3.188 9.311 1.00 0.00 H new ATOM 1005 N LEU A 62 7.703 -1.062 7.359 1.00 0.00 N ATOM 1006 CA LEU A 62 9.155 -1.009 7.352 1.00 0.00 C ATOM 1007 C LEU A 62 9.692 -1.975 6.295 1.00 0.00 C ATOM 1008 O LEU A 62 10.719 -1.710 5.671 1.00 0.00 O ATOM 1009 CB LEU A 62 9.707 -1.265 8.756 1.00 0.00 C ATOM 1010 CG LEU A 62 10.118 -2.707 9.063 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.343 -3.114 8.241 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.342 -2.906 10.563 1.00 0.00 C ATOM 0 H LEU A 62 7.292 -1.403 8.228 1.00 0.00 H new ATOM 0 HA LEU A 62 9.498 -0.012 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.574 -0.621 8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.953 -0.961 9.482 1.00 0.00 H new ATOM 0 HG LEU A 62 9.300 -3.365 8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.615 -4.143 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.111 -3.035 7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.177 -2.454 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.633 -3.939 10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.132 -2.237 10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.421 -2.684 11.101 1.00 0.00 H new ATOM 1024 N ALA A 63 8.974 -3.076 6.125 1.00 0.00 N ATOM 1025 CA ALA A 63 9.366 -4.083 5.154 1.00 0.00 C ATOM 1026 C ALA A 63 9.195 -3.517 3.743 1.00 0.00 C ATOM 1027 O ALA A 63 9.988 -3.816 2.850 1.00 0.00 O ATOM 1028 CB ALA A 63 8.543 -5.354 5.376 1.00 0.00 C ATOM 0 H ALA A 63 8.123 -3.292 6.644 1.00 0.00 H new ATOM 0 HA ALA A 63 10.416 -4.349 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.837 -6.110 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.721 -5.732 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.484 -5.127 5.256 1.00 0.00 H new ATOM 1034 N LEU A 64 8.156 -2.711 3.584 1.00 0.00 N ATOM 1035 CA LEU A 64 7.871 -2.101 2.297 1.00 0.00 C ATOM 1036 C LEU A 64 8.924 -1.031 2.000 1.00 0.00 C ATOM 1037 O LEU A 64 9.261 -0.790 0.842 1.00 0.00 O ATOM 1038 CB LEU A 64 6.435 -1.577 2.258 1.00 0.00 C ATOM 1039 CG LEU A 64 5.333 -2.630 2.386 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.104 -2.242 1.561 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.856 -4.019 2.015 1.00 0.00 C ATOM 0 H LEU A 64 7.501 -2.466 4.326 1.00 0.00 H new ATOM 0 HA LEU A 64 7.936 -2.843 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.312 -0.852 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.290 -1.041 1.320 1.00 0.00 H new ATOM 0 HG LEU A 64 5.020 -2.671 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.336 -3.008 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.716 -1.286 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.383 -2.155 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.053 -4.749 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.213 -4.010 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.676 -4.289 2.681 1.00 0.00 H new ATOM 1053 N GLU A 65 9.415 -0.417 3.067 1.00 0.00 N ATOM 1054 CA GLU A 65 10.423 0.621 2.935 1.00 0.00 C ATOM 1055 C GLU A 65 11.739 0.023 2.436 1.00 0.00 C ATOM 1056 O GLU A 65 12.510 0.695 1.752 1.00 0.00 O ATOM 1057 CB GLU A 65 10.624 1.361 4.260 1.00 0.00 C ATOM 1058 CG GLU A 65 9.516 2.393 4.485 1.00 0.00 C ATOM 1059 CD GLU A 65 9.772 3.202 5.758 1.00 0.00 C ATOM 1060 OE1 GLU A 65 9.860 2.563 6.829 1.00 0.00 O ATOM 1061 OE2 GLU A 65 9.874 4.442 5.631 1.00 0.00 O ATOM 0 H GLU A 65 9.133 -0.619 4.026 1.00 0.00 H new ATOM 0 HA GLU A 65 10.075 1.347 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.632 0.646 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.594 1.858 4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.460 3.064 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.553 1.888 4.558 1.00 0.00 H new ATOM 1068 N GLY A 66 11.956 -1.233 2.797 1.00 0.00 N ATOM 1069 CA GLY A 66 13.167 -1.929 2.394 1.00 0.00 C ATOM 1070 C GLY A 66 13.142 -2.251 0.899 1.00 0.00 C ATOM 1071 O GLY A 66 14.091 -1.946 0.179 1.00 0.00 O ATOM 0 H GLY A 66 11.314 -1.787 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.037 -1.314 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.269 -2.851 2.967 1.00 0.00 H new ATOM 1075 N LEU A 67 12.046 -2.865 0.477 1.00 0.00 N ATOM 1076 CA LEU A 67 11.885 -3.232 -0.920 1.00 0.00 C ATOM 1077 C LEU A 67 11.804 -1.963 -1.770 1.00 0.00 C ATOM 1078 O LEU A 67 12.460 -1.862 -2.806 1.00 0.00 O ATOM 1079 CB LEU A 67 10.685 -4.166 -1.093 1.00 0.00 C ATOM 1080 CG LEU A 67 10.995 -5.664 -1.078 1.00 0.00 C ATOM 1081 CD1 LEU A 67 9.865 -6.450 -0.409 1.00 0.00 C ATOM 1082 CD2 LEU A 67 11.293 -6.177 -2.488 1.00 0.00 C ATOM 0 H LEU A 67 11.261 -3.117 1.078 1.00 0.00 H new ATOM 0 HA LEU A 67 12.751 -3.795 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.968 -3.955 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.195 -3.926 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 67 11.894 -5.821 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.110 -7.512 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.743 -6.108 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.937 -6.291 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.510 -7.244 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.427 -6.006 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.154 -5.646 -2.894 1.00 0.00 H new ATOM 1094 N LEU A 68 10.993 -1.025 -1.302 1.00 0.00 N ATOM 1095 CA LEU A 68 10.817 0.233 -2.006 1.00 0.00 C ATOM 1096 C LEU A 68 11.960 1.182 -1.639 1.00 0.00 C ATOM 1097 O LEU A 68 12.032 2.299 -2.149 1.00 0.00 O ATOM 1098 CB LEU A 68 9.427 0.811 -1.734 1.00 0.00 C ATOM 1099 CG LEU A 68 8.251 0.043 -2.342 1.00 0.00 C ATOM 1100 CD1 LEU A 68 8.381 -1.458 -2.077 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.916 0.600 -1.842 1.00 0.00 C ATOM 0 H LEU A 68 10.450 -1.112 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 68 10.865 0.076 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.282 0.864 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.401 1.834 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 68 8.274 0.182 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.533 -1.980 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.306 -1.827 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.397 -1.638 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.097 0.037 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.868 0.511 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.831 1.650 -2.124 1.00 0.00 H new ATOM 1113 N GLY A 69 12.825 0.702 -0.758 1.00 0.00 N ATOM 1114 CA GLY A 69 13.961 1.493 -0.316 1.00 0.00 C ATOM 1115 C GLY A 69 13.580 2.968 -0.177 1.00 0.00 C ATOM 1116 O GLY A 69 14.417 3.850 -0.364 1.00 0.00 O ATOM 0 H GLY A 69 12.762 -0.225 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.322 1.115 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.780 1.391 -1.028 1.00 0.00 H new ATOM 1120 N VAL A 70 12.316 3.192 0.150 1.00 0.00 N ATOM 1121 CA VAL A 70 11.814 4.545 0.317 1.00 0.00 C ATOM 1122 C VAL A 70 10.572 4.518 1.210 1.00 0.00 C ATOM 1123 O VAL A 70 9.925 3.481 1.348 1.00 0.00 O ATOM 1124 CB VAL A 70 11.552 5.179 -1.051 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.823 5.187 -1.903 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.410 4.464 -1.777 1.00 0.00 C ATOM 0 H VAL A 70 11.624 2.459 0.304 1.00 0.00 H new ATOM 0 HA VAL A 70 12.558 5.169 0.813 1.00 0.00 H new ATOM 0 HB VAL A 70 11.250 6.214 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.610 5.643 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.598 5.760 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.168 4.164 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.244 4.934 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.671 3.416 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.500 4.532 -1.180 1.00 0.00 H new ATOM 1136 N ARG A 71 10.276 5.670 1.794 1.00 0.00 N ATOM 1137 CA ARG A 71 9.124 5.791 2.670 1.00 0.00 C ATOM 1138 C ARG A 71 7.903 5.121 2.036 1.00 0.00 C ATOM 1139 O ARG A 71 7.666 5.260 0.837 1.00 0.00 O ATOM 1140 CB ARG A 71 8.800 7.259 2.956 1.00 0.00 C ATOM 1141 CG ARG A 71 9.909 7.914 3.782 1.00 0.00 C ATOM 1142 CD ARG A 71 9.352 9.046 4.647 1.00 0.00 C ATOM 1143 NE ARG A 71 10.380 9.499 5.611 1.00 0.00 N ATOM 1144 CZ ARG A 71 10.198 10.493 6.490 1.00 0.00 C ATOM 1145 NH1 ARG A 71 9.028 11.144 6.534 1.00 0.00 N ATOM 1146 NH2 ARG A 71 11.187 10.837 7.327 1.00 0.00 N ATOM 0 H ARG A 71 10.815 6.528 1.677 1.00 0.00 H new ATOM 0 HA ARG A 71 9.369 5.295 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.675 7.797 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.853 7.329 3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.384 7.166 4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.680 8.305 3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.042 9.879 4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.466 8.704 5.182 1.00 0.00 H new ATOM 0 HE ARG A 71 11.283 9.025 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.275 10.883 5.898 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.890 11.901 7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.078 10.342 7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.048 11.594 7.996 1.00 0.00 H new ATOM 1160 N VAL A 72 7.159 4.408 2.870 1.00 0.00 N ATOM 1161 CA VAL A 72 5.968 3.717 2.406 1.00 0.00 C ATOM 1162 C VAL A 72 4.815 3.992 3.373 1.00 0.00 C ATOM 1163 O VAL A 72 4.993 3.939 4.589 1.00 0.00 O ATOM 1164 CB VAL A 72 6.263 2.225 2.237 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.976 1.437 1.984 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.278 1.990 1.116 1.00 0.00 C ATOM 0 H VAL A 72 7.358 4.294 3.864 1.00 0.00 H new ATOM 0 HA VAL A 72 5.667 4.089 1.427 1.00 0.00 H new ATOM 0 HB VAL A 72 6.701 1.863 3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.214 0.380 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.299 1.566 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.498 1.804 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.470 0.922 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.880 2.376 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.209 2.505 1.354 1.00 0.00 H new ATOM 1176 N ASP A 73 3.657 4.280 2.795 1.00 0.00 N ATOM 1177 CA ASP A 73 2.475 4.564 3.590 1.00 0.00 C ATOM 1178 C ASP A 73 1.431 3.471 3.352 1.00 0.00 C ATOM 1179 O ASP A 73 0.887 3.356 2.255 1.00 0.00 O ATOM 1180 CB ASP A 73 1.854 5.905 3.195 1.00 0.00 C ATOM 1181 CG ASP A 73 1.334 6.747 4.362 1.00 0.00 C ATOM 1182 OD1 ASP A 73 2.187 7.335 5.062 1.00 0.00 O ATOM 1183 OD2 ASP A 73 0.096 6.782 4.528 1.00 0.00 O ATOM 0 H ASP A 73 3.513 4.323 1.786 1.00 0.00 H new ATOM 0 HA ASP A 73 2.774 4.600 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.598 6.486 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.030 5.718 2.507 1.00 0.00 H new ATOM 1188 N ILE A 74 1.183 2.697 4.398 1.00 0.00 N ATOM 1189 CA ILE A 74 0.213 1.617 4.316 1.00 0.00 C ATOM 1190 C ILE A 74 -1.092 2.058 4.981 1.00 0.00 C ATOM 1191 O ILE A 74 -1.073 2.786 5.973 1.00 0.00 O ATOM 1192 CB ILE A 74 0.796 0.328 4.899 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.048 -0.104 4.132 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.258 -0.779 4.945 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.768 -1.243 4.855 1.00 0.00 C ATOM 0 H ILE A 74 1.636 2.796 5.306 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.020 1.392 3.275 1.00 0.00 H new ATOM 0 HB ILE A 74 1.100 0.526 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.771 -0.424 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.722 0.745 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.183 -1.684 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.093 -0.460 5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.616 -0.983 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.654 -1.531 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.065 -0.912 5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.099 -2.099 4.942 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.195 1.598 4.409 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.507 1.936 4.935 1.00 0.00 C ATOM 1209 C VAL A 75 -4.330 0.656 5.100 1.00 0.00 C ATOM 1210 O VAL A 75 -4.244 -0.252 4.276 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.183 2.968 4.031 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.685 2.701 3.920 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.914 4.391 4.527 1.00 0.00 C ATOM 0 H VAL A 75 -2.207 0.994 3.587 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.417 2.395 5.920 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.752 2.873 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.141 3.449 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.848 1.709 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.138 2.754 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.406 5.105 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.304 4.504 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.840 4.579 4.529 1.00 0.00 H new ATOM 1223 N SER A 76 -5.108 0.626 6.172 1.00 0.00 N ATOM 1224 CA SER A 76 -5.946 -0.527 6.456 1.00 0.00 C ATOM 1225 C SER A 76 -7.421 -0.157 6.283 1.00 0.00 C ATOM 1226 O SER A 76 -7.897 0.807 6.881 1.00 0.00 O ATOM 1227 CB SER A 76 -5.694 -1.056 7.870 1.00 0.00 C ATOM 1228 OG SER A 76 -6.097 -0.123 8.869 1.00 0.00 O ATOM 0 H SER A 76 -5.176 1.381 6.854 1.00 0.00 H new ATOM 0 HA SER A 76 -5.691 -1.318 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.235 -1.992 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.634 -1.280 7.990 1.00 0.00 H new ATOM 0 HG SER A 76 -5.921 -0.498 9.757 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.102 -0.944 5.463 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.513 -0.711 5.204 1.00 0.00 C ATOM 1236 C GLU A 77 -10.233 -0.321 6.496 1.00 0.00 C ATOM 1237 O GLU A 77 -10.937 0.686 6.539 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.162 -1.940 4.564 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.533 -2.247 3.203 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.610 -2.480 2.141 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.350 -1.512 1.862 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -10.668 -3.620 1.633 1.00 0.00 O ATOM 0 H GLU A 77 -7.704 -1.743 4.970 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.602 0.115 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.048 -2.800 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.232 -1.770 4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.891 -1.420 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.899 -3.130 3.282 1.00 0.00 H new ATOM 1249 N ARG A 78 -10.031 -1.140 7.519 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.652 -0.893 8.809 1.00 0.00 C ATOM 1251 C ARG A 78 -10.500 0.579 9.198 1.00 0.00 C ATOM 1252 O ARG A 78 -11.414 1.172 9.768 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.029 -1.769 9.897 1.00 0.00 C ATOM 1254 CG ARG A 78 -11.099 -2.588 10.622 1.00 0.00 C ATOM 1255 CD ARG A 78 -11.381 -2.012 12.012 1.00 0.00 C ATOM 1256 NE ARG A 78 -12.458 -1.001 11.931 1.00 0.00 N ATOM 1257 CZ ARG A 78 -13.724 -1.276 11.586 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -14.078 -2.534 11.288 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -14.634 -0.295 11.540 1.00 0.00 N ATOM 0 H ARG A 78 -9.446 -1.975 7.480 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.710 -1.141 8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.293 -2.439 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.498 -1.142 10.614 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.017 -2.595 10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.770 -3.623 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.672 -2.811 12.694 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.476 -1.560 12.418 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.222 -0.033 12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.384 -3.281 11.324 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.041 -2.744 11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.364 0.662 11.767 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.597 -0.505 11.277 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.337 1.126 8.876 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.053 2.517 9.185 1.00 0.00 C ATOM 1275 C GLY A 79 -9.781 3.453 8.218 1.00 0.00 C ATOM 1276 O GLY A 79 -10.268 4.509 8.620 1.00 0.00 O ATOM 0 H GLY A 79 -8.580 0.631 8.404 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.359 2.736 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.979 2.694 9.129 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.831 3.033 6.963 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.492 3.821 5.936 1.00 0.00 C ATOM 1282 C LEU A 80 -11.971 3.978 6.292 1.00 0.00 C ATOM 1283 O LEU A 80 -12.610 3.027 6.740 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.254 3.207 4.554 1.00 0.00 C ATOM 1285 CG LEU A 80 -8.880 3.467 3.933 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.011 3.885 2.467 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -8.092 4.492 4.753 1.00 0.00 C ATOM 0 H LEU A 80 -9.425 2.157 6.633 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.066 4.824 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.400 2.129 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.016 3.586 3.873 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.315 2.535 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.020 4.064 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.504 3.092 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.603 4.798 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.119 4.658 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.643 5.432 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.952 4.117 5.767 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.473 5.186 6.080 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.865 5.479 6.374 1.00 0.00 C ATOM 1301 C ALA A 81 -14.760 4.715 5.396 1.00 0.00 C ATOM 1302 O ALA A 81 -14.281 4.185 4.395 1.00 0.00 O ATOM 1303 CB ALA A 81 -14.092 6.991 6.311 1.00 0.00 C ATOM 0 H ALA A 81 -11.941 5.973 5.708 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.122 5.151 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.136 7.212 6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.454 7.486 7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.847 7.354 5.313 1.00 0.00 H new ATOM 1309 N PRO A 82 -16.078 4.681 5.730 1.00 0.00 N ATOM 1310 CA PRO A 82 -17.045 3.989 4.893 1.00 0.00 C ATOM 1311 C PRO A 82 -17.350 4.795 3.629 1.00 0.00 C ATOM 1312 O PRO A 82 -17.425 4.236 2.536 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.263 3.792 5.780 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.112 4.783 6.923 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.681 5.297 6.908 1.00 0.00 C ATOM 0 HA PRO A 82 -16.676 3.031 4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.183 3.973 5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.312 2.769 6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.815 5.608 6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.336 4.304 7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.652 6.385 6.845 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.150 5.016 7.817 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.518 6.095 3.820 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.814 6.982 2.708 1.00 0.00 C ATOM 1325 C ARG A 83 -16.547 7.253 1.894 1.00 0.00 C ATOM 1326 O ARG A 83 -16.622 7.546 0.701 1.00 0.00 O ATOM 1327 CB ARG A 83 -18.388 8.312 3.202 1.00 0.00 C ATOM 1328 CG ARG A 83 -17.299 9.177 3.838 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.881 10.488 4.370 1.00 0.00 C ATOM 1330 NE ARG A 83 -18.253 10.335 5.794 1.00 0.00 N ATOM 1331 CZ ARG A 83 -18.861 11.286 6.518 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -19.168 12.463 5.956 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -19.161 11.059 7.804 1.00 0.00 N ATOM 0 H ARG A 83 -17.455 6.555 4.728 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.556 6.490 2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.842 8.848 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -19.178 8.124 3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.824 8.629 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.524 9.391 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -17.151 11.290 4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.756 10.771 3.785 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.033 9.451 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.939 12.636 4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.630 13.186 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -18.927 10.163 8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -19.623 11.782 8.355 1.00 0.00 H new ATOM 1347 N LEU A 84 -15.413 7.146 2.570 1.00 0.00 N ATOM 1348 CA LEU A 84 -14.132 7.375 1.924 1.00 0.00 C ATOM 1349 C LEU A 84 -13.707 6.109 1.179 1.00 0.00 C ATOM 1350 O LEU A 84 -13.080 6.186 0.124 1.00 0.00 O ATOM 1351 CB LEU A 84 -13.100 7.866 2.942 1.00 0.00 C ATOM 1352 CG LEU A 84 -13.171 9.350 3.307 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -12.018 9.742 4.233 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -13.220 10.222 2.051 1.00 0.00 C ATOM 0 H LEU A 84 -15.355 6.904 3.559 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.216 8.168 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.214 7.282 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -12.105 7.656 2.551 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.097 9.523 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.092 10.802 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.071 9.154 5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.069 9.550 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.270 11.272 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.324 10.052 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -14.101 9.964 1.463 1.00 0.00 H new ATOM 1366 N ARG A 85 -14.066 4.972 1.757 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.729 3.690 1.161 1.00 0.00 C ATOM 1368 C ARG A 85 -14.228 3.630 -0.284 1.00 0.00 C ATOM 1369 O ARG A 85 -13.472 3.289 -1.192 1.00 0.00 O ATOM 1370 CB ARG A 85 -14.344 2.535 1.954 1.00 0.00 C ATOM 1371 CG ARG A 85 -14.010 1.189 1.309 1.00 0.00 C ATOM 1372 CD ARG A 85 -15.011 0.113 1.737 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.667 -0.392 3.085 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.502 -1.097 3.859 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.736 -1.385 3.424 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -15.104 -1.514 5.069 1.00 0.00 N ATOM 0 H ARG A 85 -14.587 4.912 2.632 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.644 3.591 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.972 2.554 2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.426 2.659 2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.020 1.289 0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.002 0.886 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.020 0.525 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.004 -0.708 1.020 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.735 -0.190 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.039 -1.067 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.372 -1.922 4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.165 -1.294 5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -15.740 -2.051 5.658 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.499 3.966 -0.452 1.00 0.00 N ATOM 1391 CA GLU A 86 -16.108 3.955 -1.772 1.00 0.00 C ATOM 1392 C GLU A 86 -15.296 4.819 -2.738 1.00 0.00 C ATOM 1393 O GLU A 86 -15.069 4.430 -3.883 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.563 4.423 -1.708 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.404 3.747 -2.793 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.890 3.772 -2.430 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -20.301 2.877 -1.660 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.581 4.685 -2.930 1.00 0.00 O ATOM 0 H GLU A 86 -16.124 4.247 0.304 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.107 2.930 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.979 4.196 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.607 5.505 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.250 4.254 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.075 2.716 -2.923 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.880 5.975 -2.242 1.00 0.00 N ATOM 1406 CA GLN A 87 -14.099 6.898 -3.048 1.00 0.00 C ATOM 1407 C GLN A 87 -12.681 6.358 -3.248 1.00 0.00 C ATOM 1408 O GLN A 87 -12.093 6.527 -4.315 1.00 0.00 O ATOM 1409 CB GLN A 87 -14.071 8.290 -2.416 1.00 0.00 C ATOM 1410 CG GLN A 87 -15.241 9.142 -2.914 1.00 0.00 C ATOM 1411 CD GLN A 87 -14.741 10.438 -3.555 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.156 10.445 -4.626 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -15.004 11.530 -2.844 1.00 0.00 N ATOM 0 H GLN A 87 -15.069 6.294 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.574 6.989 -4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.117 8.201 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.129 8.783 -2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.826 8.575 -3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.905 9.376 -2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.498 11.453 -1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.712 12.445 -3.188 1.00 0.00 H new ATOM 1422 N VAL A 88 -12.173 5.719 -2.204 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.835 5.154 -2.251 1.00 0.00 C ATOM 1424 C VAL A 88 -10.801 4.021 -3.280 1.00 0.00 C ATOM 1425 O VAL A 88 -9.921 3.984 -4.138 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.407 4.704 -0.853 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -9.002 4.099 -0.877 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -10.488 5.862 0.144 1.00 0.00 C ATOM 0 H VAL A 88 -12.664 5.580 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.114 5.906 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.099 3.929 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.723 3.788 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.989 3.235 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.291 4.843 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.179 5.515 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.830 6.668 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.513 6.228 0.194 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.770 3.126 -3.159 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.862 1.996 -4.068 1.00 0.00 C ATOM 1440 C LEU A 89 -11.934 2.509 -5.507 1.00 0.00 C ATOM 1441 O LEU A 89 -11.364 1.905 -6.415 1.00 0.00 O ATOM 1442 CB LEU A 89 -13.031 1.089 -3.678 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.996 0.521 -2.258 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.392 0.087 -1.806 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.978 -0.615 -2.147 1.00 0.00 C ATOM 0 H LEU A 89 -12.498 3.160 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.969 1.375 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.957 1.651 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.068 0.256 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.671 1.312 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.339 -0.313 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.063 0.946 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.770 -0.682 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.973 -1.001 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.249 -1.415 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.986 -0.240 -2.398 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.640 3.618 -5.672 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.794 4.219 -6.986 1.00 0.00 C ATOM 1459 C ARG A 90 -11.425 4.449 -7.628 1.00 0.00 C ATOM 1460 O ARG A 90 -11.314 4.527 -8.851 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.539 5.552 -6.897 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.987 5.404 -7.370 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.880 6.478 -6.746 1.00 0.00 C ATOM 1464 NE ARG A 90 -17.230 6.427 -7.349 1.00 0.00 N ATOM 1465 CZ ARG A 90 -18.283 7.122 -6.897 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -18.147 7.926 -5.833 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -19.470 7.014 -7.507 1.00 0.00 N ATOM 0 H ARG A 90 -13.112 4.116 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.375 3.531 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.524 5.913 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.029 6.299 -7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.028 5.478 -8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.361 4.415 -7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.948 6.325 -5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.440 7.463 -6.901 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.368 5.825 -8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.243 8.008 -5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.948 8.455 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.574 6.402 -8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -20.271 7.543 -7.162 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.416 4.551 -6.775 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.059 4.771 -7.245 1.00 0.00 C ATOM 1483 C GLU A 91 -8.186 3.553 -6.934 1.00 0.00 C ATOM 1484 O GLU A 91 -7.237 3.264 -7.660 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.466 6.041 -6.632 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.421 7.225 -6.794 1.00 0.00 C ATOM 1487 CD GLU A 91 -9.002 8.112 -7.968 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -7.777 8.308 -8.122 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -9.915 8.572 -8.686 1.00 0.00 O ATOM 0 H GLU A 91 -10.511 4.485 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.087 4.907 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.261 5.877 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.513 6.269 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.435 6.859 -6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.435 7.813 -5.876 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.540 2.872 -5.853 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.801 1.692 -5.437 1.00 0.00 C ATOM 1498 C ALA A 92 -7.734 0.701 -6.600 1.00 0.00 C ATOM 1499 O ALA A 92 -8.766 0.259 -7.104 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.458 1.090 -4.194 1.00 0.00 C ATOM 0 H ALA A 92 -9.328 3.115 -5.253 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.778 1.955 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.904 0.205 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.453 1.824 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.486 0.811 -4.425 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.510 0.380 -6.994 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.296 -0.551 -8.088 1.00 0.00 C ATOM 1508 C ILE A 93 -5.387 -1.688 -7.615 1.00 0.00 C ATOM 1509 O ILE A 93 -4.513 -1.479 -6.776 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.769 0.184 -9.322 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.398 0.806 -9.046 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.780 1.221 -9.815 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.721 1.240 -10.348 1.00 0.00 C ATOM 0 H ILE A 93 -5.656 0.749 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.240 -1.003 -8.393 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.637 -0.544 -10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.511 1.666 -8.386 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.766 0.086 -8.526 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.381 1.729 -10.693 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.714 0.723 -10.077 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.967 1.951 -9.027 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.749 1.679 -10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.588 0.373 -10.995 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.344 1.978 -10.854 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.632 -2.896 -8.188 1.00 0.00 N ATOM 1526 CA PRO A 94 -4.846 -4.066 -7.834 1.00 0.00 C ATOM 1527 C PRO A 94 -3.456 -4.006 -8.471 1.00 0.00 C ATOM 1528 O PRO A 94 -3.330 -4.015 -9.695 1.00 0.00 O ATOM 1529 CB PRO A 94 -5.668 -5.252 -8.312 1.00 0.00 C ATOM 1530 CG PRO A 94 -6.655 -4.694 -9.324 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.660 -3.180 -9.186 1.00 0.00 C ATOM 0 HA PRO A 94 -4.656 -4.136 -6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.031 -6.011 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.188 -5.727 -7.480 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.370 -4.984 -10.335 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.652 -5.097 -9.146 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.435 -2.695 -10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.635 -2.815 -8.865 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.449 -3.946 -7.613 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.073 -3.885 -8.077 1.00 0.00 C ATOM 1541 C LEU A 95 -0.772 -5.119 -8.929 1.00 0.00 C ATOM 1542 O LEU A 95 -1.164 -5.185 -10.093 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.117 -3.705 -6.896 1.00 0.00 C ATOM 1544 CG LEU A 95 1.375 -3.731 -7.231 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.833 -5.147 -7.586 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.706 -2.727 -8.337 1.00 0.00 C ATOM 0 H LEU A 95 -2.558 -3.938 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.924 -3.013 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.344 -2.755 -6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.319 -4.490 -6.168 1.00 0.00 H new ATOM 0 HG LEU A 95 1.930 -3.427 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.898 -5.137 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.654 -5.810 -6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.275 -5.504 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.773 -2.766 -8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.142 -2.976 -9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.439 -1.723 -8.008 1.00 0.00 H new