USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 663 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 16 THR OG1 : rot 32:sc= -0.554 USER MOD Set 1.2: A 31 MET CE :methyl -155:sc= -3.16! (180deg=-3.31!) USER MOD Single : A 9 LYS NZ :NH3+ -127:sc= -0.658 (180deg=-2.73!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0624 K(o=-0.062,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0875 X(o=-0.088,f=-0.36) USER MOD Single : A 39 SER OG : rot 82:sc= 0.0411 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 82:sc= 0.517 USER MOD Single : A 53 GLN : amide:sc= -2.64 X(o=-2.6,f=-3) USER MOD Single : A 55 GLN : amide:sc= -0.0969 K(o=-0.097,f=-0.81) USER MOD Single : A 62 ASN : amide:sc= -0.861 K(o=-0.86,f=-1.5) USER MOD Single : A 64 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -115:sc= -6.15! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.39) USER MOD Single : A 75 MET CE :methyl -112:sc= -3.66! (180deg=-9.28!) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0.234 (180deg=0.199!) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -2.281 -15.293 -3.936 1.00 0.00 N ATOM 72 CA ASP A 5 -2.941 -15.733 -5.153 1.00 0.00 C ATOM 73 C ASP A 5 -3.509 -14.518 -5.889 1.00 0.00 C ATOM 74 O ASP A 5 -3.363 -13.386 -5.430 1.00 0.00 O ATOM 75 CB ASP A 5 -4.101 -16.681 -4.840 1.00 0.00 C ATOM 76 CG ASP A 5 -3.713 -17.944 -4.069 1.00 0.00 C ATOM 77 OD1 ASP A 5 -4.059 -18.105 -2.889 1.00 0.00 O ATOM 78 OD2 ASP A 5 -3.016 -18.799 -4.739 1.00 0.00 O ATOM 0 HA ASP A 5 -2.205 -16.254 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.850 -16.137 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.573 -16.976 -5.777 1.00 0.00 H new ATOM 84 N ASP A 6 -4.145 -14.794 -7.018 1.00 0.00 N ATOM 85 CA ASP A 6 -4.736 -13.737 -7.821 1.00 0.00 C ATOM 86 C ASP A 6 -5.594 -12.841 -6.926 1.00 0.00 C ATOM 87 O ASP A 6 -5.495 -11.616 -6.990 1.00 0.00 O ATOM 88 CB ASP A 6 -5.638 -14.315 -8.914 1.00 0.00 C ATOM 89 CG ASP A 6 -4.925 -15.198 -9.941 1.00 0.00 C ATOM 90 OD1 ASP A 6 -5.062 -16.430 -9.929 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.192 -14.562 -10.791 1.00 0.00 O ATOM 0 H ASP A 6 -4.264 -15.734 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.926 -13.171 -8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.428 -14.899 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.121 -13.491 -9.439 1.00 0.00 H new ATOM 97 N ILE A 7 -6.417 -13.485 -6.112 1.00 0.00 N ATOM 98 CA ILE A 7 -7.291 -12.762 -5.205 1.00 0.00 C ATOM 99 C ILE A 7 -6.455 -11.806 -4.352 1.00 0.00 C ATOM 100 O ILE A 7 -6.766 -10.619 -4.257 1.00 0.00 O ATOM 101 CB ILE A 7 -8.138 -13.737 -4.385 1.00 0.00 C ATOM 102 CG1 ILE A 7 -8.941 -14.667 -5.297 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.036 -12.988 -3.398 1.00 0.00 C ATOM 104 CD1 ILE A 7 -8.276 -16.041 -5.400 1.00 0.00 C ATOM 0 H ILE A 7 -6.497 -14.501 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.001 -12.153 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.466 -14.363 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.954 -14.777 -4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.026 -14.225 -6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.627 -13.705 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.419 -12.403 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.703 -12.322 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.866 -16.683 -6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.272 -15.930 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.215 -16.491 -4.409 1.00 0.00 H new ATOM 116 N ALA A 8 -5.410 -12.358 -3.753 1.00 0.00 N ATOM 117 CA ALA A 8 -4.527 -11.569 -2.911 1.00 0.00 C ATOM 118 C ALA A 8 -4.179 -10.263 -3.627 1.00 0.00 C ATOM 119 O ALA A 8 -4.311 -9.182 -3.055 1.00 0.00 O ATOM 120 CB ALA A 8 -3.286 -12.392 -2.561 1.00 0.00 C ATOM 0 H ALA A 8 -5.155 -13.342 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.020 -11.309 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.623 -11.800 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.586 -13.294 -2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.763 -12.669 -3.476 1.00 0.00 H new ATOM 126 N LYS A 9 -3.740 -10.405 -4.869 1.00 0.00 N ATOM 127 CA LYS A 9 -3.371 -9.250 -5.670 1.00 0.00 C ATOM 128 C LYS A 9 -4.618 -8.408 -5.946 1.00 0.00 C ATOM 129 O LYS A 9 -4.591 -7.187 -5.801 1.00 0.00 O ATOM 130 CB LYS A 9 -2.633 -9.690 -6.936 1.00 0.00 C ATOM 131 CG LYS A 9 -1.418 -8.797 -7.200 1.00 0.00 C ATOM 132 CD LYS A 9 -0.310 -9.064 -6.179 1.00 0.00 C ATOM 133 CE LYS A 9 0.206 -10.500 -6.292 1.00 0.00 C ATOM 134 NZ LYS A 9 -0.492 -11.378 -5.327 1.00 0.00 N ATOM 0 H LYS A 9 -3.631 -11.303 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.671 -8.616 -5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.312 -10.726 -6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.311 -9.650 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.041 -8.978 -8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.715 -7.749 -7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.511 -8.365 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.688 -8.888 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.052 -10.869 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.279 -10.523 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.209 -11.890 -4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.094 -10.801 -4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.082 -12.061 -5.843 1.00 0.00 H new ATOM 147 N ARG A 10 -5.682 -9.093 -6.338 1.00 0.00 N ATOM 148 CA ARG A 10 -6.936 -8.423 -6.636 1.00 0.00 C ATOM 149 C ARG A 10 -7.353 -7.533 -5.464 1.00 0.00 C ATOM 150 O ARG A 10 -7.783 -6.398 -5.664 1.00 0.00 O ATOM 151 CB ARG A 10 -8.047 -9.435 -6.920 1.00 0.00 C ATOM 152 CG ARG A 10 -7.867 -10.076 -8.297 1.00 0.00 C ATOM 153 CD ARG A 10 -9.206 -10.557 -8.859 1.00 0.00 C ATOM 154 NE ARG A 10 -9.270 -12.035 -8.821 1.00 0.00 N ATOM 155 CZ ARG A 10 -10.227 -12.767 -9.431 1.00 0.00 C ATOM 156 NH1 ARG A 10 -11.210 -12.162 -10.131 1.00 0.00 N ATOM 157 NH2 ARG A 10 -10.187 -14.082 -9.331 1.00 0.00 N ATOM 0 H ARG A 10 -5.701 -10.106 -6.456 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.782 -7.811 -7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.044 -10.208 -6.152 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.017 -8.939 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.419 -9.355 -8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.177 -10.917 -8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.026 -10.134 -8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.327 -10.206 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.546 -12.532 -8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.234 -11.145 -10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.929 -12.722 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.441 -14.531 -8.799 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.902 -14.650 -9.786 1.00 0.00 H new ATOM 170 N LYS A 11 -7.213 -8.082 -4.266 1.00 0.00 N ATOM 171 CA LYS A 11 -7.570 -7.352 -3.062 1.00 0.00 C ATOM 172 C LYS A 11 -6.811 -6.024 -3.031 1.00 0.00 C ATOM 173 O LYS A 11 -7.399 -4.974 -2.780 1.00 0.00 O ATOM 174 CB LYS A 11 -7.342 -8.219 -1.822 1.00 0.00 C ATOM 175 CG LYS A 11 -7.798 -7.494 -0.554 1.00 0.00 C ATOM 176 CD LYS A 11 -9.325 -7.456 -0.465 1.00 0.00 C ATOM 177 CE LYS A 11 -9.799 -7.771 0.955 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.990 -6.961 1.297 1.00 0.00 N ATOM 0 H LYS A 11 -6.857 -9.024 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.633 -7.112 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.887 -9.157 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.285 -8.472 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.391 -7.997 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.404 -6.478 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.686 -6.472 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.752 -8.176 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.037 -8.831 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.998 -7.568 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.298 -7.188 2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.751 -5.951 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.759 -7.175 0.630 1.00 0.00 H new ATOM 191 N ILE A 12 -5.514 -6.114 -3.291 1.00 0.00 N ATOM 192 CA ILE A 12 -4.668 -4.933 -3.297 1.00 0.00 C ATOM 193 C ILE A 12 -5.424 -3.773 -3.948 1.00 0.00 C ATOM 194 O ILE A 12 -5.563 -2.705 -3.352 1.00 0.00 O ATOM 195 CB ILE A 12 -3.324 -5.240 -3.959 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.171 -5.057 -2.970 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.132 -4.401 -5.224 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.147 -6.189 -1.940 1.00 0.00 C ATOM 0 H ILE A 12 -5.029 -6.987 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.432 -4.628 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.324 -6.287 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.225 -5.032 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.273 -4.099 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.169 -4.638 -5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.930 -4.624 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.161 -3.342 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.318 -6.035 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.085 -6.196 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.021 -7.143 -2.451 1.00 0.00 H new ATOM 210 N ARG A 13 -5.893 -4.021 -5.162 1.00 0.00 N ATOM 211 CA ARG A 13 -6.631 -3.010 -5.900 1.00 0.00 C ATOM 212 C ARG A 13 -8.042 -2.859 -5.327 1.00 0.00 C ATOM 213 O ARG A 13 -8.498 -1.744 -5.079 1.00 0.00 O ATOM 214 CB ARG A 13 -6.726 -3.372 -7.384 1.00 0.00 C ATOM 215 CG ARG A 13 -6.021 -2.326 -8.250 1.00 0.00 C ATOM 216 CD ARG A 13 -6.129 -2.680 -9.734 1.00 0.00 C ATOM 217 NE ARG A 13 -7.501 -2.411 -10.220 1.00 0.00 N ATOM 218 CZ ARG A 13 -8.513 -3.303 -10.164 1.00 0.00 C ATOM 219 NH1 ARG A 13 -8.314 -4.531 -9.640 1.00 0.00 N ATOM 220 NH2 ARG A 13 -9.699 -2.955 -10.628 1.00 0.00 N ATOM 0 H ARG A 13 -5.776 -4.907 -5.653 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.093 -2.067 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.277 -4.351 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.773 -3.446 -7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.462 -1.345 -8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.971 -2.259 -7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.410 -2.096 -10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.880 -3.730 -9.885 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.694 -1.494 -10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.394 -4.790 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.083 -5.200 -9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.840 -2.024 -11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.474 -3.617 -10.593 1.00 0.00 H new ATOM 233 N PHE A 14 -8.693 -3.997 -5.134 1.00 0.00 N ATOM 234 CA PHE A 14 -10.042 -4.005 -4.596 1.00 0.00 C ATOM 235 C PHE A 14 -10.126 -3.173 -3.314 1.00 0.00 C ATOM 236 O PHE A 14 -11.203 -2.714 -2.937 1.00 0.00 O ATOM 237 CB PHE A 14 -10.384 -5.460 -4.269 1.00 0.00 C ATOM 238 CG PHE A 14 -11.881 -5.774 -4.321 1.00 0.00 C ATOM 239 CD1 PHE A 14 -12.529 -5.796 -5.516 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.563 -6.030 -3.173 1.00 0.00 C ATOM 241 CE1 PHE A 14 -13.918 -6.087 -5.565 1.00 0.00 C ATOM 242 CE2 PHE A 14 -13.952 -6.322 -3.221 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.600 -6.344 -4.417 1.00 0.00 C ATOM 0 H PHE A 14 -8.311 -4.920 -5.341 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.734 -3.577 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.862 -6.112 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.008 -5.696 -3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.987 -5.592 -6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.048 -6.011 -2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.433 -6.104 -6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.493 -6.526 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.656 -6.566 -4.455 1.00 0.00 H new ATOM 253 N GLN A 15 -8.975 -3.004 -2.680 1.00 0.00 N ATOM 254 CA GLN A 15 -8.904 -2.235 -1.449 1.00 0.00 C ATOM 255 C GLN A 15 -8.757 -0.745 -1.762 1.00 0.00 C ATOM 256 O GLN A 15 -9.479 0.083 -1.209 1.00 0.00 O ATOM 257 CB GLN A 15 -7.758 -2.726 -0.562 1.00 0.00 C ATOM 258 CG GLN A 15 -8.279 -3.636 0.553 1.00 0.00 C ATOM 259 CD GLN A 15 -8.728 -2.817 1.764 1.00 0.00 C ATOM 260 OE1 GLN A 15 -8.689 -1.597 1.771 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.157 -3.553 2.786 1.00 0.00 N ATOM 0 H GLN A 15 -8.084 -3.387 -2.996 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.833 -2.380 -0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.031 -3.267 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.239 -1.872 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.114 -4.230 0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.498 -4.335 0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.164 -4.570 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.479 -3.100 3.641 1.00 0.00 H new ATOM 270 N THR A 16 -7.815 -0.448 -2.646 1.00 0.00 N ATOM 271 CA THR A 16 -7.564 0.928 -3.038 1.00 0.00 C ATOM 272 C THR A 16 -8.844 1.572 -3.574 1.00 0.00 C ATOM 273 O THR A 16 -9.933 1.023 -3.415 1.00 0.00 O ATOM 274 CB THR A 16 -6.414 0.929 -4.048 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.693 -0.184 -4.893 1.00 0.00 O ATOM 276 CG2 THR A 16 -5.070 0.581 -3.405 1.00 0.00 C ATOM 0 H THR A 16 -7.217 -1.137 -3.102 1.00 0.00 H new ATOM 0 HA THR A 16 -7.266 1.535 -2.183 1.00 0.00 H new ATOM 0 HB THR A 16 -6.347 1.909 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.663 -0.304 -4.966 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.289 0.596 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.837 1.312 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.126 -0.413 -2.961 1.00 0.00 H new ATOM 284 N ARG A 17 -8.670 2.727 -4.199 1.00 0.00 N ATOM 285 CA ARG A 17 -9.798 3.452 -4.760 1.00 0.00 C ATOM 286 C ARG A 17 -9.338 4.800 -5.319 1.00 0.00 C ATOM 287 O ARG A 17 -8.265 5.288 -4.967 1.00 0.00 O ATOM 288 CB ARG A 17 -10.880 3.688 -3.704 1.00 0.00 C ATOM 289 CG ARG A 17 -12.274 3.441 -4.284 1.00 0.00 C ATOM 290 CD ARG A 17 -12.915 2.199 -3.660 1.00 0.00 C ATOM 291 NE ARG A 17 -13.618 1.415 -4.700 1.00 0.00 N ATOM 292 CZ ARG A 17 -14.843 1.721 -5.179 1.00 0.00 C ATOM 293 NH1 ARG A 17 -15.512 2.797 -4.714 1.00 0.00 N ATOM 294 NH2 ARG A 17 -15.377 0.950 -6.108 1.00 0.00 N ATOM 0 H ARG A 17 -7.765 3.179 -4.329 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.216 2.846 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.714 3.027 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.813 4.710 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.906 4.310 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.205 3.315 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.150 1.585 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.616 2.495 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.148 0.593 -5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.093 3.387 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.437 3.021 -5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.865 0.138 -6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.301 1.166 -6.481 1.00 0.00 H new ATOM 307 N ARG A 18 -10.172 5.363 -6.180 1.00 0.00 N ATOM 308 CA ARG A 18 -9.864 6.645 -6.791 1.00 0.00 C ATOM 309 C ARG A 18 -10.541 7.778 -6.017 1.00 0.00 C ATOM 310 O ARG A 18 -10.722 8.874 -6.546 1.00 0.00 O ATOM 311 CB ARG A 18 -10.327 6.685 -8.249 1.00 0.00 C ATOM 312 CG ARG A 18 -11.779 6.221 -8.376 1.00 0.00 C ATOM 313 CD ARG A 18 -12.351 6.582 -9.749 1.00 0.00 C ATOM 314 NE ARG A 18 -13.692 5.977 -9.913 1.00 0.00 N ATOM 315 CZ ARG A 18 -14.515 6.231 -10.952 1.00 0.00 C ATOM 316 NH1 ARG A 18 -14.140 7.081 -11.932 1.00 0.00 N ATOM 317 NH2 ARG A 18 -15.692 5.635 -10.998 1.00 0.00 N ATOM 0 H ARG A 18 -11.061 4.955 -6.469 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.782 6.776 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.230 7.699 -8.637 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.684 6.048 -8.856 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.834 5.143 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.382 6.682 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.417 7.665 -9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.684 6.227 -10.535 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.014 5.327 -9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.228 7.537 -11.891 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.768 7.267 -12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.968 4.993 -10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.325 5.816 -11.777 1.00 0.00 H new ATOM 330 N GLY A 19 -10.895 7.476 -4.777 1.00 0.00 N ATOM 331 CA GLY A 19 -11.547 8.455 -3.925 1.00 0.00 C ATOM 332 C GLY A 19 -10.979 9.855 -4.165 1.00 0.00 C ATOM 333 O GLY A 19 -11.674 10.732 -4.676 1.00 0.00 O ATOM 0 H GLY A 19 -10.742 6.566 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.619 8.455 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.413 8.179 -2.879 1.00 0.00 H new ATOM 337 N LEU A 20 -9.722 10.022 -3.784 1.00 0.00 N ATOM 338 CA LEU A 20 -9.052 11.301 -3.951 1.00 0.00 C ATOM 339 C LEU A 20 -8.349 11.330 -5.309 1.00 0.00 C ATOM 340 O LEU A 20 -7.622 10.401 -5.656 1.00 0.00 O ATOM 341 CB LEU A 20 -8.120 11.576 -2.770 1.00 0.00 C ATOM 342 CG LEU A 20 -8.735 12.335 -1.592 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.068 13.776 -1.982 1.00 0.00 C ATOM 344 CD2 LEU A 20 -9.954 11.594 -1.039 1.00 0.00 C ATOM 0 H LEU A 20 -9.149 9.293 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.778 12.114 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.740 10.623 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.263 12.143 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.996 12.381 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.504 14.293 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.157 14.289 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.781 13.774 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.372 12.155 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.706 11.495 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.654 10.603 -0.698 1.00 0.00 H new ATOM 356 N LEU A 21 -8.591 12.407 -6.042 1.00 0.00 N ATOM 357 CA LEU A 21 -7.990 12.569 -7.355 1.00 0.00 C ATOM 358 C LEU A 21 -6.545 12.069 -7.315 1.00 0.00 C ATOM 359 O LEU A 21 -6.262 10.944 -7.724 1.00 0.00 O ATOM 360 CB LEU A 21 -8.127 14.016 -7.832 1.00 0.00 C ATOM 361 CG LEU A 21 -7.397 14.367 -9.130 1.00 0.00 C ATOM 362 CD1 LEU A 21 -7.892 13.498 -10.289 1.00 0.00 C ATOM 363 CD2 LEU A 21 -7.518 15.860 -9.442 1.00 0.00 C ATOM 0 H LEU A 21 -9.195 13.176 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.517 11.963 -8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.187 14.235 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.761 14.674 -7.044 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.337 14.152 -8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.357 13.767 -11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.711 12.448 -10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.960 13.659 -10.434 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.990 16.082 -10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.570 16.125 -9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.080 16.438 -8.628 1.00 0.00 H new ATOM 375 N GLU A 22 -5.668 12.929 -6.819 1.00 0.00 N ATOM 376 CA GLU A 22 -4.259 12.589 -6.720 1.00 0.00 C ATOM 377 C GLU A 22 -4.095 11.126 -6.301 1.00 0.00 C ATOM 378 O GLU A 22 -3.335 10.382 -6.918 1.00 0.00 O ATOM 379 CB GLU A 22 -3.536 13.523 -5.747 1.00 0.00 C ATOM 380 CG GLU A 22 -2.081 13.734 -6.169 1.00 0.00 C ATOM 381 CD GLU A 22 -1.934 14.998 -7.019 1.00 0.00 C ATOM 382 OE1 GLU A 22 -2.363 16.082 -6.596 1.00 0.00 O ATOM 383 OE2 GLU A 22 -1.350 14.826 -8.156 1.00 0.00 O ATOM 0 H GLU A 22 -5.906 13.861 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.804 12.719 -7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.050 14.483 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.570 13.103 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.450 13.811 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.733 12.869 -6.734 1.00 0.00 H new ATOM 391 N LEU A 23 -4.819 10.759 -5.255 1.00 0.00 N ATOM 392 CA LEU A 23 -4.763 9.399 -4.746 1.00 0.00 C ATOM 393 C LEU A 23 -5.020 8.419 -5.892 1.00 0.00 C ATOM 394 O LEU A 23 -4.204 7.536 -6.153 1.00 0.00 O ATOM 395 CB LEU A 23 -5.721 9.229 -3.565 1.00 0.00 C ATOM 396 CG LEU A 23 -5.235 8.322 -2.433 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.102 7.411 -2.908 1.00 0.00 C ATOM 398 CD2 LEU A 23 -4.834 9.143 -1.206 1.00 0.00 C ATOM 0 H LEU A 23 -5.448 11.380 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.770 9.179 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.932 10.214 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.664 8.833 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.062 7.678 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.775 6.777 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.457 6.786 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.265 8.020 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.492 8.474 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.030 9.828 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.694 9.712 -0.852 1.00 0.00 H new ATOM 410 N ASP A 24 -6.156 8.608 -6.547 1.00 0.00 N ATOM 411 CA ASP A 24 -6.531 7.752 -7.659 1.00 0.00 C ATOM 412 C ASP A 24 -5.338 7.603 -8.607 1.00 0.00 C ATOM 413 O ASP A 24 -5.087 6.518 -9.128 1.00 0.00 O ATOM 414 CB ASP A 24 -7.692 8.355 -8.452 1.00 0.00 C ATOM 415 CG ASP A 24 -8.063 7.601 -9.730 1.00 0.00 C ATOM 416 OD1 ASP A 24 -7.769 6.405 -9.874 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.688 8.301 -10.615 1.00 0.00 O ATOM 0 H ASP A 24 -6.829 9.342 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.834 6.787 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.569 8.399 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.438 9.382 -8.715 1.00 0.00 H new ATOM 423 N LEU A 25 -4.636 8.710 -8.800 1.00 0.00 N ATOM 424 CA LEU A 25 -3.476 8.717 -9.676 1.00 0.00 C ATOM 425 C LEU A 25 -2.312 8.010 -8.978 1.00 0.00 C ATOM 426 O LEU A 25 -1.636 7.178 -9.580 1.00 0.00 O ATOM 427 CB LEU A 25 -3.151 10.143 -10.123 1.00 0.00 C ATOM 428 CG LEU A 25 -4.352 11.053 -10.391 1.00 0.00 C ATOM 429 CD1 LEU A 25 -3.899 12.426 -10.891 1.00 0.00 C ATOM 430 CD2 LEU A 25 -5.338 10.389 -11.355 1.00 0.00 C ATOM 0 H LEU A 25 -4.848 9.608 -8.365 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.685 8.162 -10.590 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.530 10.610 -9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.551 10.090 -11.031 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.878 11.211 -9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.772 13.053 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.266 12.896 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.336 12.309 -11.817 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.182 11.056 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.838 10.182 -12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.697 9.455 -10.922 1.00 0.00 H new ATOM 442 N ILE A 26 -2.113 8.369 -7.718 1.00 0.00 N ATOM 443 CA ILE A 26 -1.043 7.780 -6.932 1.00 0.00 C ATOM 444 C ILE A 26 -1.021 6.267 -7.160 1.00 0.00 C ATOM 445 O ILE A 26 -0.033 5.724 -7.652 1.00 0.00 O ATOM 446 CB ILE A 26 -1.176 8.178 -5.461 1.00 0.00 C ATOM 447 CG1 ILE A 26 -0.904 9.672 -5.271 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.277 7.314 -4.575 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.548 10.187 -3.982 1.00 0.00 C ATOM 0 H ILE A 26 -2.675 9.061 -7.222 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.076 8.166 -7.256 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.204 7.996 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.171 9.849 -5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.294 10.228 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.391 7.618 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.561 6.267 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.762 7.441 -4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.340 11.251 -3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.626 10.031 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.138 9.646 -3.129 1.00 0.00 H new ATOM 461 N PHE A 27 -2.123 5.630 -6.792 1.00 0.00 N ATOM 462 CA PHE A 27 -2.243 4.191 -6.950 1.00 0.00 C ATOM 463 C PHE A 27 -1.868 3.762 -8.370 1.00 0.00 C ATOM 464 O PHE A 27 -1.532 2.602 -8.604 1.00 0.00 O ATOM 465 CB PHE A 27 -3.708 3.833 -6.693 1.00 0.00 C ATOM 466 CG PHE A 27 -4.155 4.042 -5.244 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.420 3.522 -4.225 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.286 4.748 -4.976 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.834 3.716 -2.880 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.700 4.942 -3.632 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.965 4.422 -2.612 1.00 0.00 C ATOM 0 H PHE A 27 -2.941 6.084 -6.385 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.572 3.684 -6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.339 4.435 -7.347 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.870 2.790 -6.965 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.522 2.962 -4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.869 5.161 -5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.251 3.303 -2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.598 5.502 -3.419 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.280 4.570 -1.590 1.00 0.00 H new ATOM 481 N GLY A 28 -1.938 4.721 -9.282 1.00 0.00 N ATOM 482 CA GLY A 28 -1.610 4.457 -10.673 1.00 0.00 C ATOM 483 C GLY A 28 -0.165 3.975 -10.813 1.00 0.00 C ATOM 484 O GLY A 28 0.080 2.868 -11.292 1.00 0.00 O ATOM 0 H GLY A 28 -2.217 5.682 -9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.289 3.704 -11.074 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.754 5.362 -11.263 1.00 0.00 H new ATOM 488 N ARG A 29 0.754 4.828 -10.387 1.00 0.00 N ATOM 489 CA ARG A 29 2.169 4.503 -10.459 1.00 0.00 C ATOM 490 C ARG A 29 2.594 3.706 -9.224 1.00 0.00 C ATOM 491 O ARG A 29 3.271 2.686 -9.342 1.00 0.00 O ATOM 492 CB ARG A 29 3.021 5.769 -10.558 1.00 0.00 C ATOM 493 CG ARG A 29 3.218 6.185 -12.018 1.00 0.00 C ATOM 494 CD ARG A 29 4.482 5.552 -12.602 1.00 0.00 C ATOM 495 NE ARG A 29 4.293 5.283 -14.045 1.00 0.00 N ATOM 496 CZ ARG A 29 5.272 4.854 -14.870 1.00 0.00 C ATOM 497 NH1 ARG A 29 6.520 4.642 -14.400 1.00 0.00 N ATOM 498 NH2 ARG A 29 4.992 4.646 -16.143 1.00 0.00 N ATOM 0 H ARG A 29 0.547 5.745 -9.990 1.00 0.00 H new ATOM 0 HA ARG A 29 2.326 3.903 -11.355 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.542 6.578 -10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.991 5.596 -10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.351 5.884 -12.606 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.287 7.271 -12.085 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.333 6.218 -12.456 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.710 4.624 -12.077 1.00 0.00 H new ATOM 0 HE ARG A 29 3.365 5.431 -14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.729 4.806 -13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.254 4.318 -15.030 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.047 4.809 -16.491 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.721 4.322 -16.779 1.00 0.00 H new ATOM 511 N PHE A 30 2.178 4.201 -8.067 1.00 0.00 N ATOM 512 CA PHE A 30 2.507 3.548 -6.812 1.00 0.00 C ATOM 513 C PHE A 30 2.445 2.026 -6.953 1.00 0.00 C ATOM 514 O PHE A 30 3.466 1.348 -6.852 1.00 0.00 O ATOM 515 CB PHE A 30 1.463 3.996 -5.787 1.00 0.00 C ATOM 516 CG PHE A 30 1.303 3.041 -4.603 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.255 2.994 -3.634 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.208 2.238 -4.520 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.107 2.107 -2.535 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.060 1.352 -3.421 1.00 0.00 C ATOM 521 CZ PHE A 30 1.012 1.305 -2.451 1.00 0.00 C ATOM 0 H PHE A 30 1.616 5.047 -7.973 1.00 0.00 H new ATOM 0 HA PHE A 30 3.518 3.817 -6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.738 4.982 -5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.500 4.103 -6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.124 3.631 -3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.548 2.275 -5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.864 2.069 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.809 0.715 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.898 0.631 -1.615 1.00 0.00 H new ATOM 531 N MET A 31 1.237 1.534 -7.185 1.00 0.00 N ATOM 532 CA MET A 31 1.029 0.104 -7.341 1.00 0.00 C ATOM 533 C MET A 31 1.890 -0.455 -8.475 1.00 0.00 C ATOM 534 O MET A 31 2.541 -1.486 -8.315 1.00 0.00 O ATOM 535 CB MET A 31 -0.447 -0.167 -7.638 1.00 0.00 C ATOM 536 CG MET A 31 -1.021 -1.202 -6.668 1.00 0.00 C ATOM 537 SD MET A 31 -2.234 -0.436 -5.606 1.00 0.00 S ATOM 538 CE MET A 31 -3.724 -0.817 -6.513 1.00 0.00 C ATOM 0 H MET A 31 0.392 2.100 -7.269 1.00 0.00 H new ATOM 0 HA MET A 31 1.319 -0.390 -6.414 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.013 0.761 -7.562 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.556 -0.524 -8.662 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.478 -2.020 -7.225 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.220 -1.633 -6.067 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.493 -0.083 -6.274 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.516 -0.789 -7.583 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.074 -1.812 -6.237 1.00 0.00 H new ATOM 548 N GLU A 32 1.865 0.251 -9.596 1.00 0.00 N ATOM 549 CA GLU A 32 2.635 -0.162 -10.757 1.00 0.00 C ATOM 550 C GLU A 32 4.054 -0.555 -10.341 1.00 0.00 C ATOM 551 O GLU A 32 4.680 -1.401 -10.977 1.00 0.00 O ATOM 552 CB GLU A 32 2.660 0.939 -11.819 1.00 0.00 C ATOM 553 CG GLU A 32 2.413 0.362 -13.214 1.00 0.00 C ATOM 554 CD GLU A 32 2.929 1.311 -14.299 1.00 0.00 C ATOM 555 OE1 GLU A 32 4.114 1.255 -14.659 1.00 0.00 O ATOM 556 OE2 GLU A 32 2.049 2.127 -14.772 1.00 0.00 O ATOM 0 H GLU A 32 1.324 1.106 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 32 2.152 -1.034 -11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.900 1.686 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.624 1.448 -11.798 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.909 -0.604 -13.305 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.346 0.187 -13.356 1.00 0.00 H new ATOM 564 N LYS A 33 4.520 0.078 -9.274 1.00 0.00 N ATOM 565 CA LYS A 33 5.853 -0.194 -8.766 1.00 0.00 C ATOM 566 C LYS A 33 5.766 -1.241 -7.653 1.00 0.00 C ATOM 567 O LYS A 33 6.553 -2.186 -7.622 1.00 0.00 O ATOM 568 CB LYS A 33 6.539 1.104 -8.335 1.00 0.00 C ATOM 569 CG LYS A 33 6.797 2.013 -9.539 1.00 0.00 C ATOM 570 CD LYS A 33 6.508 3.475 -9.193 1.00 0.00 C ATOM 571 CE LYS A 33 7.772 4.183 -8.702 1.00 0.00 C ATOM 572 NZ LYS A 33 8.334 5.042 -9.768 1.00 0.00 N ATOM 0 H LYS A 33 3.998 0.778 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 33 6.481 -0.613 -9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.916 1.625 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.482 0.874 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.833 1.910 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.170 1.702 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.116 3.989 -10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.737 3.525 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.540 4.787 -7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.513 3.445 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.191 5.515 -9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.574 4.458 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.632 5.758 -10.043 1.00 0.00 H new ATOM 585 N GLU A 34 4.802 -1.038 -6.768 1.00 0.00 N ATOM 586 CA GLU A 34 4.601 -1.953 -5.657 1.00 0.00 C ATOM 587 C GLU A 34 3.875 -3.213 -6.131 1.00 0.00 C ATOM 588 O GLU A 34 4.485 -4.272 -6.266 1.00 0.00 O ATOM 589 CB GLU A 34 3.836 -1.274 -4.519 1.00 0.00 C ATOM 590 CG GLU A 34 4.798 -0.674 -3.492 1.00 0.00 C ATOM 591 CD GLU A 34 5.509 0.557 -4.061 1.00 0.00 C ATOM 592 OE1 GLU A 34 6.177 0.461 -5.101 1.00 0.00 O ATOM 593 OE2 GLU A 34 5.347 1.642 -3.382 1.00 0.00 O ATOM 0 H GLU A 34 4.151 -0.253 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 34 5.578 -2.244 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.196 -0.490 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.184 -1.999 -4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.249 -0.398 -2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.535 -1.421 -3.199 1.00 0.00 H new ATOM 601 N PHE A 35 2.581 -3.056 -6.372 1.00 0.00 N ATOM 602 CA PHE A 35 1.765 -4.168 -6.828 1.00 0.00 C ATOM 603 C PHE A 35 2.501 -4.990 -7.888 1.00 0.00 C ATOM 604 O PHE A 35 2.227 -6.177 -8.059 1.00 0.00 O ATOM 605 CB PHE A 35 0.502 -3.570 -7.451 1.00 0.00 C ATOM 606 CG PHE A 35 -0.027 -4.350 -8.657 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.417 -4.052 -9.907 1.00 0.00 C ATOM 608 CD2 PHE A 35 -0.941 -5.341 -8.477 1.00 0.00 C ATOM 609 CE1 PHE A 35 -0.074 -4.776 -11.026 1.00 0.00 C ATOM 610 CE2 PHE A 35 -1.431 -6.065 -9.596 1.00 0.00 C ATOM 611 CZ PHE A 35 -0.988 -5.767 -10.847 1.00 0.00 C ATOM 0 H PHE A 35 2.078 -2.176 -6.260 1.00 0.00 H new ATOM 0 HA PHE A 35 1.534 -4.827 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.278 -3.523 -6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.711 -2.545 -7.757 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.143 -3.265 -10.049 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.294 -5.577 -7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.279 -4.540 -12.019 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.156 -6.853 -9.454 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.362 -6.317 -11.698 1.00 0.00 H new ATOM 621 N GLU A 36 3.423 -4.327 -8.570 1.00 0.00 N ATOM 622 CA GLU A 36 4.201 -4.981 -9.608 1.00 0.00 C ATOM 623 C GLU A 36 4.475 -6.438 -9.228 1.00 0.00 C ATOM 624 O GLU A 36 4.117 -7.354 -9.967 1.00 0.00 O ATOM 625 CB GLU A 36 5.507 -4.229 -9.871 1.00 0.00 C ATOM 626 CG GLU A 36 6.084 -4.595 -11.240 1.00 0.00 C ATOM 627 CD GLU A 36 5.582 -3.636 -12.321 1.00 0.00 C ATOM 628 OE1 GLU A 36 4.367 -3.548 -12.556 1.00 0.00 O ATOM 629 OE2 GLU A 36 6.503 -2.967 -12.928 1.00 0.00 O ATOM 0 H GLU A 36 3.649 -3.343 -8.424 1.00 0.00 H new ATOM 0 HA GLU A 36 3.621 -4.969 -10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.328 -3.155 -9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.231 -4.467 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.173 -4.565 -11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.803 -5.616 -11.496 1.00 0.00 H new ATOM 637 N HIS A 37 5.106 -6.606 -8.075 1.00 0.00 N ATOM 638 CA HIS A 37 5.432 -7.936 -7.588 1.00 0.00 C ATOM 639 C HIS A 37 5.509 -7.917 -6.060 1.00 0.00 C ATOM 640 O HIS A 37 6.484 -8.390 -5.478 1.00 0.00 O ATOM 641 CB HIS A 37 6.714 -8.455 -8.240 1.00 0.00 C ATOM 642 CG HIS A 37 6.674 -9.923 -8.593 1.00 0.00 C ATOM 643 ND1 HIS A 37 5.655 -10.486 -9.340 1.00 0.00 N ATOM 644 CD2 HIS A 37 7.537 -10.935 -8.293 1.00 0.00 C ATOM 645 CE1 HIS A 37 5.903 -11.780 -9.478 1.00 0.00 C ATOM 646 NE2 HIS A 37 7.070 -12.057 -8.828 1.00 0.00 N ATOM 0 H HIS A 37 5.400 -5.844 -7.464 1.00 0.00 H new ATOM 0 HA HIS A 37 4.643 -8.634 -7.869 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.908 -7.880 -9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.551 -8.277 -7.564 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.446 -10.840 -7.718 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.289 -12.491 -10.011 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.511 -12.974 -8.764 1.00 0.00 H new ATOM 654 N LEU A 38 4.468 -7.366 -5.453 1.00 0.00 N ATOM 655 CA LEU A 38 4.406 -7.280 -4.004 1.00 0.00 C ATOM 656 C LEU A 38 4.755 -8.642 -3.401 1.00 0.00 C ATOM 657 O LEU A 38 4.346 -9.679 -3.921 1.00 0.00 O ATOM 658 CB LEU A 38 3.045 -6.741 -3.557 1.00 0.00 C ATOM 659 CG LEU A 38 2.854 -5.227 -3.671 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.399 -4.837 -3.404 1.00 0.00 C ATOM 661 CD2 LEU A 38 3.825 -4.481 -2.755 1.00 0.00 C ATOM 0 H LEU A 38 3.661 -6.975 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 38 5.143 -6.568 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.271 -7.231 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.885 -7.030 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 38 3.085 -4.930 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.290 -3.756 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.752 -5.327 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.117 -5.150 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.668 -3.407 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.651 -4.778 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.850 -4.726 -3.035 1.00 0.00 H new ATOM 673 N SER A 39 5.509 -8.596 -2.312 1.00 0.00 N ATOM 674 CA SER A 39 5.918 -9.813 -1.633 1.00 0.00 C ATOM 675 C SER A 39 4.734 -10.409 -0.868 1.00 0.00 C ATOM 676 O SER A 39 3.694 -9.767 -0.729 1.00 0.00 O ATOM 677 CB SER A 39 7.085 -9.546 -0.680 1.00 0.00 C ATOM 678 OG SER A 39 7.970 -8.551 -1.185 1.00 0.00 O ATOM 0 H SER A 39 5.847 -7.734 -1.883 1.00 0.00 H new ATOM 0 HA SER A 39 6.254 -10.528 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.697 -9.228 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.637 -10.471 -0.514 1.00 0.00 H new ATOM 0 HG SER A 39 7.605 -7.662 -0.995 1.00 0.00 H new ATOM 684 N ASP A 40 4.932 -11.630 -0.393 1.00 0.00 N ATOM 685 CA ASP A 40 3.893 -12.320 0.353 1.00 0.00 C ATOM 686 C ASP A 40 3.672 -11.606 1.689 1.00 0.00 C ATOM 687 O ASP A 40 2.540 -11.279 2.041 1.00 0.00 O ATOM 688 CB ASP A 40 4.297 -13.765 0.651 1.00 0.00 C ATOM 689 CG ASP A 40 5.224 -14.404 -0.385 1.00 0.00 C ATOM 690 OD1 ASP A 40 5.232 -14.014 -1.562 1.00 0.00 O ATOM 691 OD2 ASP A 40 5.971 -15.355 0.065 1.00 0.00 O ATOM 0 H ASP A 40 5.796 -12.159 -0.510 1.00 0.00 H new ATOM 0 HA ASP A 40 2.985 -12.316 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.788 -13.796 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.394 -14.370 0.730 1.00 0.00 H new ATOM 697 N LYS A 41 4.771 -11.387 2.395 1.00 0.00 N ATOM 698 CA LYS A 41 4.711 -10.718 3.684 1.00 0.00 C ATOM 699 C LYS A 41 4.237 -9.277 3.484 1.00 0.00 C ATOM 700 O LYS A 41 3.411 -8.780 4.248 1.00 0.00 O ATOM 701 CB LYS A 41 6.054 -10.830 4.408 1.00 0.00 C ATOM 702 CG LYS A 41 5.915 -10.444 5.883 1.00 0.00 C ATOM 703 CD LYS A 41 6.464 -11.546 6.791 1.00 0.00 C ATOM 704 CE LYS A 41 7.829 -11.158 7.361 1.00 0.00 C ATOM 705 NZ LYS A 41 8.116 -11.930 8.591 1.00 0.00 N ATOM 0 H LYS A 41 5.708 -11.661 2.099 1.00 0.00 H new ATOM 0 HA LYS A 41 3.984 -11.205 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.430 -11.850 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.786 -10.182 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.449 -9.513 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.866 -10.263 6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.765 -11.732 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.552 -12.475 6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.606 -11.343 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.847 -10.091 7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.046 -11.654 8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.384 -11.733 9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.119 -12.946 8.370 1.00 0.00 H new ATOM 718 N GLU A 42 4.781 -8.646 2.454 1.00 0.00 N ATOM 719 CA GLU A 42 4.425 -7.272 2.145 1.00 0.00 C ATOM 720 C GLU A 42 2.936 -7.174 1.804 1.00 0.00 C ATOM 721 O GLU A 42 2.255 -6.250 2.245 1.00 0.00 O ATOM 722 CB GLU A 42 5.286 -6.726 1.004 1.00 0.00 C ATOM 723 CG GLU A 42 6.717 -6.459 1.476 1.00 0.00 C ATOM 724 CD GLU A 42 7.435 -5.495 0.530 1.00 0.00 C ATOM 725 OE1 GLU A 42 8.357 -4.782 0.954 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.005 -5.503 -0.686 1.00 0.00 O ATOM 0 H GLU A 42 5.466 -9.061 1.823 1.00 0.00 H new ATOM 0 HA GLU A 42 4.617 -6.660 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.298 -7.439 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.847 -5.804 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.700 -6.041 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.267 -7.398 1.530 1.00 0.00 H new ATOM 734 N LEU A 43 2.476 -8.139 1.022 1.00 0.00 N ATOM 735 CA LEU A 43 1.081 -8.173 0.617 1.00 0.00 C ATOM 736 C LEU A 43 0.193 -7.973 1.846 1.00 0.00 C ATOM 737 O LEU A 43 -0.645 -7.072 1.871 1.00 0.00 O ATOM 738 CB LEU A 43 0.779 -9.458 -0.158 1.00 0.00 C ATOM 739 CG LEU A 43 1.010 -9.400 -1.669 1.00 0.00 C ATOM 740 CD1 LEU A 43 1.059 -10.806 -2.270 1.00 0.00 C ATOM 741 CD2 LEU A 43 -0.041 -8.521 -2.351 1.00 0.00 C ATOM 0 H LEU A 43 3.045 -8.904 0.658 1.00 0.00 H new ATOM 0 HA LEU A 43 0.864 -7.355 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.393 -10.259 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.261 -9.730 0.020 1.00 0.00 H new ATOM 0 HG LEU A 43 1.981 -8.939 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.224 -10.737 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.873 -11.369 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.115 -11.316 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.146 -8.497 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.034 -8.930 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.015 -7.509 -1.950 1.00 0.00 H new ATOM 753 N SER A 44 0.406 -8.827 2.836 1.00 0.00 N ATOM 754 CA SER A 44 -0.365 -8.755 4.066 1.00 0.00 C ATOM 755 C SER A 44 -0.414 -7.311 4.569 1.00 0.00 C ATOM 756 O SER A 44 -1.492 -6.774 4.820 1.00 0.00 O ATOM 757 CB SER A 44 0.224 -9.671 5.140 1.00 0.00 C ATOM 758 OG SER A 44 -0.788 -10.273 5.942 1.00 0.00 O ATOM 0 H SER A 44 1.102 -9.573 2.812 1.00 0.00 H new ATOM 0 HA SER A 44 -1.379 -9.094 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.821 -10.450 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.897 -9.097 5.777 1.00 0.00 H new ATOM 0 HG SER A 44 -0.371 -10.852 6.614 1.00 0.00 H new ATOM 764 N GLU A 45 0.766 -6.723 4.701 1.00 0.00 N ATOM 765 CA GLU A 45 0.870 -5.352 5.169 1.00 0.00 C ATOM 766 C GLU A 45 -0.002 -4.431 4.314 1.00 0.00 C ATOM 767 O GLU A 45 -0.886 -3.749 4.833 1.00 0.00 O ATOM 768 CB GLU A 45 2.327 -4.882 5.170 1.00 0.00 C ATOM 769 CG GLU A 45 3.266 -6.010 5.601 1.00 0.00 C ATOM 770 CD GLU A 45 2.635 -6.857 6.708 1.00 0.00 C ATOM 771 OE1 GLU A 45 1.983 -6.311 7.610 1.00 0.00 O ATOM 772 OE2 GLU A 45 2.840 -8.127 6.607 1.00 0.00 O ATOM 0 H GLU A 45 1.658 -7.171 4.492 1.00 0.00 H new ATOM 0 HA GLU A 45 0.508 -5.311 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.602 -4.536 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.439 -4.033 5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.499 -6.641 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.208 -5.589 5.953 1.00 0.00 H new ATOM 780 N PHE A 46 0.276 -4.439 3.019 1.00 0.00 N ATOM 781 CA PHE A 46 -0.473 -3.613 2.087 1.00 0.00 C ATOM 782 C PHE A 46 -1.970 -3.655 2.398 1.00 0.00 C ATOM 783 O PHE A 46 -2.643 -2.625 2.370 1.00 0.00 O ATOM 784 CB PHE A 46 -0.238 -4.190 0.690 1.00 0.00 C ATOM 785 CG PHE A 46 0.481 -3.235 -0.265 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.817 -3.018 -0.132 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.217 -2.602 -1.247 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.484 -2.131 -1.018 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.451 -1.715 -2.133 1.00 0.00 C ATOM 790 CZ PHE A 46 1.787 -1.499 -2.000 1.00 0.00 C ATOM 0 H PHE A 46 1.010 -5.005 2.593 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.143 -2.577 2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.346 -5.106 0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.199 -4.466 0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.371 -3.520 0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.278 -2.774 -1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.545 -1.958 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.102 -1.212 -2.912 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.295 -0.825 -2.674 1.00 0.00 H new ATOM 800 N SER A 47 -2.449 -4.856 2.688 1.00 0.00 N ATOM 801 CA SER A 47 -3.854 -5.045 3.004 1.00 0.00 C ATOM 802 C SER A 47 -4.192 -4.348 4.324 1.00 0.00 C ATOM 803 O SER A 47 -5.278 -3.790 4.474 1.00 0.00 O ATOM 804 CB SER A 47 -4.205 -6.532 3.085 1.00 0.00 C ATOM 805 OG SER A 47 -3.053 -7.361 2.955 1.00 0.00 O ATOM 0 H SER A 47 -1.888 -5.708 2.711 1.00 0.00 H new ATOM 0 HA SER A 47 -4.447 -4.602 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.694 -6.738 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.920 -6.779 2.300 1.00 0.00 H new ATOM 0 HG SER A 47 -2.595 -7.422 3.819 1.00 0.00 H new ATOM 811 N GLU A 48 -3.243 -4.403 5.246 1.00 0.00 N ATOM 812 CA GLU A 48 -3.426 -3.784 6.547 1.00 0.00 C ATOM 813 C GLU A 48 -3.354 -2.261 6.425 1.00 0.00 C ATOM 814 O GLU A 48 -4.120 -1.546 7.070 1.00 0.00 O ATOM 815 CB GLU A 48 -2.395 -4.303 7.551 1.00 0.00 C ATOM 816 CG GLU A 48 -3.005 -5.373 8.460 1.00 0.00 C ATOM 817 CD GLU A 48 -1.916 -6.122 9.231 1.00 0.00 C ATOM 818 OE1 GLU A 48 -0.881 -5.531 9.574 1.00 0.00 O ATOM 819 OE2 GLU A 48 -2.176 -7.362 9.475 1.00 0.00 O ATOM 0 H GLU A 48 -2.344 -4.867 5.118 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.414 -4.053 6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.540 -4.718 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.023 -3.476 8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.698 -4.908 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.582 -6.078 7.862 1.00 0.00 H new ATOM 827 N ILE A 49 -2.427 -1.809 5.593 1.00 0.00 N ATOM 828 CA ILE A 49 -2.245 -0.383 5.379 1.00 0.00 C ATOM 829 C ILE A 49 -3.372 0.141 4.486 1.00 0.00 C ATOM 830 O ILE A 49 -4.012 1.140 4.811 1.00 0.00 O ATOM 831 CB ILE A 49 -0.845 -0.098 4.833 1.00 0.00 C ATOM 832 CG1 ILE A 49 -0.025 0.724 5.829 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.917 0.572 3.459 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.472 0.611 5.533 1.00 0.00 C ATOM 0 H ILE A 49 -1.794 -2.405 5.059 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.309 0.156 6.324 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.331 -1.050 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.331 1.769 5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.226 0.379 6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.092 0.763 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.437 -0.084 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.458 1.515 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.032 1.205 6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.779 -0.432 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.673 0.980 4.527 1.00 0.00 H new ATOM 846 N LEU A 50 -3.579 -0.555 3.378 1.00 0.00 N ATOM 847 CA LEU A 50 -4.617 -0.172 2.436 1.00 0.00 C ATOM 848 C LEU A 50 -5.937 0.013 3.186 1.00 0.00 C ATOM 849 O LEU A 50 -6.824 0.727 2.721 1.00 0.00 O ATOM 850 CB LEU A 50 -4.698 -1.181 1.289 1.00 0.00 C ATOM 851 CG LEU A 50 -3.596 -1.085 0.232 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.723 -2.211 -0.796 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.589 0.295 -0.428 1.00 0.00 C ATOM 0 H LEU A 50 -3.045 -1.382 3.111 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.376 0.785 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.681 -2.185 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.661 -1.061 0.793 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.634 -1.210 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.928 -2.120 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.641 -3.174 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.691 -2.142 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.797 0.337 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.551 0.473 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.415 1.060 0.329 1.00 0.00 H new ATOM 865 N GLU A 51 -6.025 -0.641 4.335 1.00 0.00 N ATOM 866 CA GLU A 51 -7.222 -0.557 5.154 1.00 0.00 C ATOM 867 C GLU A 51 -7.797 0.860 5.110 1.00 0.00 C ATOM 868 O GLU A 51 -9.013 1.043 5.161 1.00 0.00 O ATOM 869 CB GLU A 51 -6.933 -0.987 6.594 1.00 0.00 C ATOM 870 CG GLU A 51 -6.855 -2.510 6.706 1.00 0.00 C ATOM 871 CD GLU A 51 -8.022 -3.060 7.530 1.00 0.00 C ATOM 872 OE1 GLU A 51 -9.186 -2.917 7.128 1.00 0.00 O ATOM 873 OE2 GLU A 51 -7.684 -3.654 8.624 1.00 0.00 O ATOM 0 H GLU A 51 -5.287 -1.231 4.718 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.965 -1.243 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.994 -0.546 6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.714 -0.610 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.868 -2.953 5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.911 -2.796 7.170 1.00 0.00 H new ATOM 881 N PHE A 52 -6.897 1.827 5.016 1.00 0.00 N ATOM 882 CA PHE A 52 -7.299 3.222 4.964 1.00 0.00 C ATOM 883 C PHE A 52 -7.719 3.620 3.548 1.00 0.00 C ATOM 884 O PHE A 52 -7.204 3.081 2.569 1.00 0.00 O ATOM 885 CB PHE A 52 -6.083 4.054 5.375 1.00 0.00 C ATOM 886 CG PHE A 52 -6.053 4.423 6.860 1.00 0.00 C ATOM 887 CD1 PHE A 52 -7.094 5.099 7.413 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.985 4.073 7.626 1.00 0.00 C ATOM 889 CE1 PHE A 52 -7.067 5.441 8.791 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.957 4.414 9.004 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.999 5.091 9.557 1.00 0.00 C ATOM 0 H PHE A 52 -5.890 1.672 4.974 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.149 3.388 5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.177 3.499 5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.065 4.969 4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.942 5.376 6.804 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.158 3.536 7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.894 5.979 9.231 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.109 4.136 9.612 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.978 5.351 10.605 1.00 0.00 H new ATOM 901 N GLN A 53 -8.651 4.559 3.483 1.00 0.00 N ATOM 902 CA GLN A 53 -9.147 5.035 2.203 1.00 0.00 C ATOM 903 C GLN A 53 -8.236 6.138 1.658 1.00 0.00 C ATOM 904 O GLN A 53 -7.234 6.484 2.280 1.00 0.00 O ATOM 905 CB GLN A 53 -10.591 5.525 2.321 1.00 0.00 C ATOM 906 CG GLN A 53 -10.736 6.533 3.464 1.00 0.00 C ATOM 907 CD GLN A 53 -11.642 5.983 4.568 1.00 0.00 C ATOM 908 OE1 GLN A 53 -11.759 4.786 4.771 1.00 0.00 O ATOM 909 NE2 GLN A 53 -12.273 6.921 5.267 1.00 0.00 N ATOM 0 H GLN A 53 -9.076 5.003 4.297 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.138 4.202 1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.900 5.986 1.383 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.254 4.677 2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.754 6.765 3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.149 7.466 3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.130 7.906 5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.900 6.656 6.026 1.00 0.00 H new ATOM 918 N ASP A 54 -8.619 6.659 0.501 1.00 0.00 N ATOM 919 CA ASP A 54 -7.849 7.715 -0.134 1.00 0.00 C ATOM 920 C ASP A 54 -7.699 8.887 0.838 1.00 0.00 C ATOM 921 O ASP A 54 -6.587 9.227 1.238 1.00 0.00 O ATOM 922 CB ASP A 54 -8.555 8.230 -1.391 1.00 0.00 C ATOM 923 CG ASP A 54 -9.349 7.177 -2.164 1.00 0.00 C ATOM 924 OD1 ASP A 54 -10.342 6.629 -1.662 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.906 6.920 -3.348 1.00 0.00 O ATOM 0 H ASP A 54 -9.452 6.370 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.876 7.306 -0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.231 9.036 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.808 8.662 -2.057 1.00 0.00 H new ATOM 931 N GLN A 55 -8.835 9.471 1.190 1.00 0.00 N ATOM 932 CA GLN A 55 -8.844 10.598 2.107 1.00 0.00 C ATOM 933 C GLN A 55 -7.919 10.322 3.295 1.00 0.00 C ATOM 934 O GLN A 55 -6.964 11.062 3.527 1.00 0.00 O ATOM 935 CB GLN A 55 -10.265 10.908 2.581 1.00 0.00 C ATOM 936 CG GLN A 55 -10.451 12.409 2.811 1.00 0.00 C ATOM 937 CD GLN A 55 -9.953 12.817 4.199 1.00 0.00 C ATOM 938 OE1 GLN A 55 -10.158 12.131 5.186 1.00 0.00 O ATOM 939 NE2 GLN A 55 -9.290 13.970 4.218 1.00 0.00 N ATOM 0 H GLN A 55 -9.756 9.185 0.857 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.473 11.475 1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.984 10.558 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.470 10.367 3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.909 12.967 2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.505 12.668 2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.154 14.494 3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.917 14.330 5.097 1.00 0.00 H new ATOM 948 N GLU A 56 -8.234 9.256 4.015 1.00 0.00 N ATOM 949 CA GLU A 56 -7.443 8.874 5.172 1.00 0.00 C ATOM 950 C GLU A 56 -5.980 8.674 4.772 1.00 0.00 C ATOM 951 O GLU A 56 -5.085 9.287 5.351 1.00 0.00 O ATOM 952 CB GLU A 56 -8.009 7.614 5.831 1.00 0.00 C ATOM 953 CG GLU A 56 -9.421 7.862 6.365 1.00 0.00 C ATOM 954 CD GLU A 56 -9.854 6.741 7.312 1.00 0.00 C ATOM 955 OE1 GLU A 56 -10.146 5.624 6.859 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.879 7.062 8.561 1.00 0.00 O ATOM 0 H GLU A 56 -9.027 8.644 3.820 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.492 9.680 5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.028 6.798 5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.357 7.302 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.453 8.818 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.122 7.931 5.533 1.00 0.00 H new ATOM 964 N LEU A 57 -5.782 7.812 3.785 1.00 0.00 N ATOM 965 CA LEU A 57 -4.443 7.524 3.301 1.00 0.00 C ATOM 966 C LEU A 57 -3.689 8.837 3.084 1.00 0.00 C ATOM 967 O LEU A 57 -2.645 9.066 3.692 1.00 0.00 O ATOM 968 CB LEU A 57 -4.503 6.636 2.056 1.00 0.00 C ATOM 969 CG LEU A 57 -3.170 6.380 1.350 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.248 5.519 2.216 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.391 5.767 -0.035 1.00 0.00 C ATOM 0 H LEU A 57 -6.527 7.304 3.308 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.884 6.955 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.932 5.675 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.188 7.092 1.341 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.672 7.339 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.307 5.352 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.052 6.030 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.727 4.561 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.427 5.595 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.920 4.819 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.983 6.449 -0.645 1.00 0.00 H new ATOM 983 N LEU A 58 -4.249 9.667 2.215 1.00 0.00 N ATOM 984 CA LEU A 58 -3.643 10.952 1.910 1.00 0.00 C ATOM 985 C LEU A 58 -3.241 11.644 3.214 1.00 0.00 C ATOM 986 O LEU A 58 -2.068 11.948 3.424 1.00 0.00 O ATOM 987 CB LEU A 58 -4.574 11.789 1.031 1.00 0.00 C ATOM 988 CG LEU A 58 -3.894 12.670 -0.019 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.244 11.818 -1.111 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.876 13.691 -0.597 1.00 0.00 C ATOM 0 H LEU A 58 -5.116 9.474 1.713 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.732 10.814 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.262 11.115 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.175 12.428 1.678 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.097 13.231 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.768 12.468 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.494 11.164 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.006 11.213 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.367 14.304 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.710 13.169 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.251 14.328 0.204 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.238 11.872 4.057 1.00 0.00 N ATOM 1003 CA ALA A 59 -4.004 12.522 5.335 1.00 0.00 C ATOM 1004 C ALA A 59 -2.809 11.863 6.026 1.00 0.00 C ATOM 1005 O ALA A 59 -1.907 12.550 6.504 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.276 12.457 6.182 1.00 0.00 C ATOM 0 H ALA A 59 -5.210 11.618 3.879 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.762 13.575 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.100 12.945 7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.087 12.965 5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.549 11.415 6.350 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.841 10.539 6.058 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.771 9.779 6.683 1.00 0.00 C ATOM 1014 C LEU A 60 -0.425 10.255 6.132 1.00 0.00 C ATOM 1015 O LEU A 60 0.525 10.451 6.888 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.010 8.278 6.512 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.573 7.545 7.732 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.094 6.160 7.347 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.537 7.476 8.856 1.00 0.00 C ATOM 0 H LEU A 60 -3.591 9.973 5.661 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.756 9.955 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.695 8.132 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.066 7.809 6.235 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.422 8.114 8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.488 5.661 8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.886 6.262 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.280 5.568 6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.962 6.950 9.711 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.654 6.942 8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.256 8.486 9.154 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.386 10.425 4.819 1.00 0.00 N ATOM 1032 CA ILE A 61 0.828 10.874 4.158 1.00 0.00 C ATOM 1033 C ILE A 61 1.156 12.297 4.614 1.00 0.00 C ATOM 1034 O ILE A 61 2.257 12.559 5.096 1.00 0.00 O ATOM 1035 CB ILE A 61 0.696 10.729 2.640 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.285 9.306 2.258 1.00 0.00 C ATOM 1037 CG2 ILE A 61 1.983 11.163 1.935 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.431 8.321 2.497 1.00 0.00 C ATOM 0 H ILE A 61 -1.176 10.260 4.195 1.00 0.00 H new ATOM 0 HA ILE A 61 1.672 10.246 4.443 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.098 11.394 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.585 9.006 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.010 9.278 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.863 11.050 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.192 12.207 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.811 10.541 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.112 7.317 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.291 8.610 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.707 8.333 3.551 1.00 0.00 H new ATOM 1050 N ASN A 62 0.181 13.177 4.446 1.00 0.00 N ATOM 1051 CA ASN A 62 0.352 14.567 4.835 1.00 0.00 C ATOM 1052 C ASN A 62 0.777 14.633 6.303 1.00 0.00 C ATOM 1053 O ASN A 62 1.520 15.530 6.699 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.956 15.346 4.686 1.00 0.00 C ATOM 1055 CG ASN A 62 -1.642 15.017 3.358 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -2.848 14.852 3.277 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.808 14.932 2.326 1.00 0.00 N ATOM 0 H ASN A 62 -0.731 12.955 4.046 1.00 0.00 H new ATOM 0 HA ASN A 62 1.110 15.007 4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.623 15.105 5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.754 16.416 4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.168 14.717 1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.191 15.082 2.464 1.00 0.00 H new ATOM 1064 N GLY A 63 0.287 13.671 7.072 1.00 0.00 N ATOM 1065 CA GLY A 63 0.606 13.608 8.488 1.00 0.00 C ATOM 1066 C GLY A 63 -0.639 13.855 9.342 1.00 0.00 C ATOM 1067 O GLY A 63 -0.537 14.332 10.471 1.00 0.00 O ATOM 0 H GLY A 63 -0.329 12.929 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.027 12.631 8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.368 14.350 8.726 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.786 13.518 8.771 1.00 0.00 N ATOM 1072 CA HIS A 64 -3.049 13.697 9.466 1.00 0.00 C ATOM 1073 C HIS A 64 -3.335 12.471 10.335 1.00 0.00 C ATOM 1074 O HIS A 64 -3.011 12.458 11.522 1.00 0.00 O ATOM 1075 CB HIS A 64 -4.177 13.997 8.475 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.767 15.379 8.617 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -6.129 15.607 8.712 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -4.167 16.603 8.680 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -6.328 16.912 8.825 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -5.110 17.527 8.805 1.00 0.00 N ATOM 0 H HIS A 64 -1.867 13.122 7.835 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.985 14.561 10.127 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.797 13.878 7.460 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.969 13.260 8.607 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.104 16.788 8.636 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.286 17.403 8.917 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.951 18.532 8.875 1.00 0.00 H new ATOM 1088 N SER A 65 -3.938 11.470 9.711 1.00 0.00 N ATOM 1089 CA SER A 65 -4.271 10.242 10.413 1.00 0.00 C ATOM 1090 C SER A 65 -2.998 9.590 10.959 1.00 0.00 C ATOM 1091 O SER A 65 -1.891 9.979 10.592 1.00 0.00 O ATOM 1092 CB SER A 65 -5.015 9.268 9.497 1.00 0.00 C ATOM 1093 OG SER A 65 -6.423 9.307 9.709 1.00 0.00 O ATOM 0 H SER A 65 -4.205 11.484 8.727 1.00 0.00 H new ATOM 0 HA SER A 65 -4.930 10.491 11.245 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.798 9.511 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.650 8.256 9.671 1.00 0.00 H new ATOM 0 HG SER A 65 -6.862 8.673 9.105 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.200 8.609 11.826 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.083 7.900 12.427 1.00 0.00 C ATOM 1101 C GLU A 66 -2.254 6.390 12.245 1.00 0.00 C ATOM 1102 O GLU A 66 -3.295 5.931 11.778 1.00 0.00 O ATOM 1103 CB GLU A 66 -1.935 8.261 13.906 1.00 0.00 C ATOM 1104 CG GLU A 66 -1.010 9.466 14.086 1.00 0.00 C ATOM 1105 CD GLU A 66 0.350 9.216 13.432 1.00 0.00 C ATOM 1106 OE1 GLU A 66 0.941 8.142 13.622 1.00 0.00 O ATOM 1107 OE2 GLU A 66 0.792 10.185 12.704 1.00 0.00 O ATOM 0 H GLU A 66 -4.120 8.288 12.127 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.168 8.207 11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.914 8.483 14.330 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.537 7.407 14.454 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.471 10.351 13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.875 9.670 15.148 1.00 0.00 H new ATOM 1115 N THR A 67 -1.215 5.660 12.624 1.00 0.00 N ATOM 1116 CA THR A 67 -1.237 4.211 12.509 1.00 0.00 C ATOM 1117 C THR A 67 -0.902 3.564 13.854 1.00 0.00 C ATOM 1118 O THR A 67 0.157 3.821 14.424 1.00 0.00 O ATOM 1119 CB THR A 67 -0.277 3.812 11.387 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.049 2.422 11.603 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.106 4.446 11.546 1.00 0.00 C ATOM 0 H THR A 67 -0.353 6.044 13.011 1.00 0.00 H new ATOM 0 HA THR A 67 -2.232 3.850 12.249 1.00 0.00 H new ATOM 0 HB THR A 67 -0.701 4.104 10.426 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.893 2.277 11.831 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.748 4.130 10.724 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.012 5.532 11.536 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.545 4.128 12.492 1.00 0.00 H new ATOM 1129 N ASP A 68 -1.825 2.737 14.323 1.00 0.00 N ATOM 1130 CA ASP A 68 -1.641 2.051 15.590 1.00 0.00 C ATOM 1131 C ASP A 68 -0.938 0.715 15.345 1.00 0.00 C ATOM 1132 O ASP A 68 -1.045 -0.205 16.154 1.00 0.00 O ATOM 1133 CB ASP A 68 -2.986 1.761 16.260 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.082 2.185 17.727 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -2.344 3.068 18.187 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -3.973 1.557 18.418 1.00 0.00 O ATOM 0 H ASP A 68 -2.703 2.527 13.848 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.046 2.695 16.238 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.771 2.268 15.699 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.185 0.692 16.193 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.233 0.651 14.224 1.00 0.00 N ATOM 1143 CA LYS A 69 0.488 -0.558 13.862 1.00 0.00 C ATOM 1144 C LYS A 69 1.875 -0.181 13.337 1.00 0.00 C ATOM 1145 O LYS A 69 1.993 0.503 12.321 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.333 -1.398 12.882 1.00 0.00 C ATOM 1147 CG LYS A 69 -1.674 -1.805 13.498 1.00 0.00 C ATOM 1148 CD LYS A 69 -1.926 -3.303 13.321 1.00 0.00 C ATOM 1149 CE LYS A 69 -3.423 -3.596 13.195 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.709 -5.000 13.564 1.00 0.00 N ATOM 0 H LYS A 69 -0.146 1.416 13.555 1.00 0.00 H new ATOM 0 HA LYS A 69 0.639 -1.189 14.738 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.506 -0.831 11.968 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.228 -2.290 12.603 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.682 -1.554 14.559 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.480 -1.239 13.030 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.406 -3.660 12.432 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.515 -3.847 14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.987 -2.922 13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.752 -3.408 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.729 -5.182 13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.186 -5.639 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.414 -5.168 14.547 1.00 0.00 H new ATOM 1163 N GLY A 70 2.889 -0.643 14.053 1.00 0.00 N ATOM 1164 CA GLY A 70 4.263 -0.363 13.672 1.00 0.00 C ATOM 1165 C GLY A 70 4.643 -1.117 12.396 1.00 0.00 C ATOM 1166 O GLY A 70 5.727 -0.916 11.851 1.00 0.00 O ATOM 0 H GLY A 70 2.787 -1.209 14.895 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.390 0.708 13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.934 -0.650 14.482 1.00 0.00 H new ATOM 1170 N HIS A 71 3.729 -1.969 11.956 1.00 0.00 N ATOM 1171 CA HIS A 71 3.954 -2.754 10.754 1.00 0.00 C ATOM 1172 C HIS A 71 3.719 -1.881 9.520 1.00 0.00 C ATOM 1173 O HIS A 71 3.932 -2.325 8.392 1.00 0.00 O ATOM 1174 CB HIS A 71 3.090 -4.017 10.760 1.00 0.00 C ATOM 1175 CG HIS A 71 3.816 -5.255 11.231 1.00 0.00 C ATOM 1176 ND1 HIS A 71 5.103 -5.567 10.830 1.00 0.00 N ATOM 1177 CD2 HIS A 71 3.422 -6.253 12.073 1.00 0.00 C ATOM 1178 CE1 HIS A 71 5.457 -6.705 11.409 1.00 0.00 C ATOM 1179 NE2 HIS A 71 4.414 -7.128 12.179 1.00 0.00 N ATOM 0 H HIS A 71 2.831 -2.133 12.410 1.00 0.00 H new ATOM 0 HA HIS A 71 4.990 -3.093 10.725 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.224 -3.850 11.401 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.712 -4.191 9.753 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.465 -6.320 12.569 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.405 -7.209 11.292 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.399 -7.977 12.744 1.00 0.00 H new ATOM 1187 N LEU A 72 3.284 -0.656 9.775 1.00 0.00 N ATOM 1188 CA LEU A 72 3.018 0.283 8.698 1.00 0.00 C ATOM 1189 C LEU A 72 4.134 1.329 8.653 1.00 0.00 C ATOM 1190 O LEU A 72 4.498 1.807 7.580 1.00 0.00 O ATOM 1191 CB LEU A 72 1.618 0.882 8.844 1.00 0.00 C ATOM 1192 CG LEU A 72 0.582 0.004 9.548 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -0.737 0.755 9.735 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.388 -1.319 8.803 1.00 0.00 C ATOM 0 H LEU A 72 3.109 -0.292 10.712 1.00 0.00 H new ATOM 0 HA LEU A 72 3.021 -0.229 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.702 1.821 9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.243 1.125 7.850 1.00 0.00 H new ATOM 0 HG LEU A 72 0.958 -0.238 10.542 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.456 0.108 10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.566 1.646 10.339 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.131 1.047 8.761 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.353 -1.925 9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.044 -1.118 7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.335 -1.858 8.765 1.00 0.00 H new ATOM 1206 N ILE A 73 4.644 1.655 9.831 1.00 0.00 N ATOM 1207 CA ILE A 73 5.710 2.636 9.940 1.00 0.00 C ATOM 1208 C ILE A 73 6.664 2.480 8.753 1.00 0.00 C ATOM 1209 O ILE A 73 6.977 3.455 8.072 1.00 0.00 O ATOM 1210 CB ILE A 73 6.401 2.529 11.301 1.00 0.00 C ATOM 1211 CG1 ILE A 73 5.760 3.476 12.317 1.00 0.00 C ATOM 1212 CG2 ILE A 73 7.908 2.761 11.172 1.00 0.00 C ATOM 1213 CD1 ILE A 73 6.748 3.839 13.428 1.00 0.00 C ATOM 0 H ILE A 73 4.339 1.257 10.719 1.00 0.00 H new ATOM 0 HA ILE A 73 5.303 3.646 9.893 1.00 0.00 H new ATOM 0 HB ILE A 73 6.263 1.514 11.675 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.425 4.383 11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.877 3.007 12.750 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.374 2.679 12.154 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.335 2.013 10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.089 3.756 10.766 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.267 4.513 14.137 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.063 2.933 13.945 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.619 4.330 12.994 1.00 0.00 H new ATOM 1225 N PRO A 74 7.109 1.214 8.536 1.00 0.00 N ATOM 1226 CA PRO A 74 8.020 0.918 7.443 1.00 0.00 C ATOM 1227 C PRO A 74 7.287 0.927 6.101 1.00 0.00 C ATOM 1228 O PRO A 74 7.631 1.698 5.206 1.00 0.00 O ATOM 1229 CB PRO A 74 8.617 -0.437 7.785 1.00 0.00 C ATOM 1230 CG PRO A 74 7.681 -1.059 8.808 1.00 0.00 C ATOM 1231 CD PRO A 74 6.759 0.034 9.322 1.00 0.00 C ATOM 0 HA PRO A 74 8.804 1.667 7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.697 -1.064 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.623 -0.329 8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.103 -1.865 8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.249 -1.496 9.629 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.712 -0.235 9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.908 0.209 10.387 1.00 0.00 H new ATOM 1239 N MET A 75 6.289 0.060 6.002 1.00 0.00 N ATOM 1240 CA MET A 75 5.505 -0.041 4.783 1.00 0.00 C ATOM 1241 C MET A 75 5.048 1.339 4.308 1.00 0.00 C ATOM 1242 O MET A 75 4.740 1.525 3.132 1.00 0.00 O ATOM 1243 CB MET A 75 4.281 -0.925 5.036 1.00 0.00 C ATOM 1244 CG MET A 75 4.467 -2.310 4.412 1.00 0.00 C ATOM 1245 SD MET A 75 6.073 -2.961 4.840 1.00 0.00 S ATOM 1246 CE MET A 75 5.687 -3.738 6.400 1.00 0.00 C ATOM 0 H MET A 75 6.006 -0.578 6.746 1.00 0.00 H new ATOM 0 HA MET A 75 6.130 -0.482 4.007 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.115 -1.025 6.109 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.393 -0.451 4.619 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.686 -2.984 4.764 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.368 -2.246 3.328 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.182 -3.199 7.208 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.609 -3.720 6.559 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.034 -4.771 6.388 1.00 0.00 H new ATOM 1256 N LEU A 76 5.019 2.273 5.248 1.00 0.00 N ATOM 1257 CA LEU A 76 4.605 3.632 4.940 1.00 0.00 C ATOM 1258 C LEU A 76 5.733 4.347 4.193 1.00 0.00 C ATOM 1259 O LEU A 76 5.481 5.091 3.247 1.00 0.00 O ATOM 1260 CB LEU A 76 4.153 4.355 6.210 1.00 0.00 C ATOM 1261 CG LEU A 76 2.647 4.360 6.479 1.00 0.00 C ATOM 1262 CD1 LEU A 76 2.321 5.133 7.759 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.877 4.900 5.272 1.00 0.00 C ATOM 0 H LEU A 76 5.275 2.116 6.223 1.00 0.00 H new ATOM 0 HA LEU A 76 3.738 3.626 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.653 3.896 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.496 5.388 6.158 1.00 0.00 H new ATOM 0 HG LEU A 76 2.324 3.330 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.244 5.121 7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.825 4.666 8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.661 6.164 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.809 4.893 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.198 5.920 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.075 4.272 4.403 1.00 0.00 H new ATOM 1275 N GLU A 77 6.952 4.096 4.647 1.00 0.00 N ATOM 1276 CA GLU A 77 8.119 4.707 4.034 1.00 0.00 C ATOM 1277 C GLU A 77 8.227 4.289 2.566 1.00 0.00 C ATOM 1278 O GLU A 77 8.377 5.135 1.686 1.00 0.00 O ATOM 1279 CB GLU A 77 9.393 4.348 4.801 1.00 0.00 C ATOM 1280 CG GLU A 77 9.807 5.484 5.739 1.00 0.00 C ATOM 1281 CD GLU A 77 10.599 6.555 4.987 1.00 0.00 C ATOM 1282 OE1 GLU A 77 11.308 6.238 4.020 1.00 0.00 O ATOM 1283 OE2 GLU A 77 10.457 7.755 5.438 1.00 0.00 O ATOM 0 H GLU A 77 7.157 3.478 5.432 1.00 0.00 H new ATOM 0 HA GLU A 77 8.002 5.790 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.230 3.437 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.199 4.141 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.920 5.931 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.411 5.085 6.554 1.00 0.00 H new ATOM 1291 N LYS A 78 8.148 2.985 2.348 1.00 0.00 N ATOM 1292 CA LYS A 78 8.235 2.445 1.002 1.00 0.00 C ATOM 1293 C LYS A 78 7.014 2.894 0.196 1.00 0.00 C ATOM 1294 O LYS A 78 7.151 3.386 -0.923 1.00 0.00 O ATOM 1295 CB LYS A 78 8.418 0.926 1.044 1.00 0.00 C ATOM 1296 CG LYS A 78 7.486 0.290 2.078 1.00 0.00 C ATOM 1297 CD LYS A 78 6.757 -0.918 1.489 1.00 0.00 C ATOM 1298 CE LYS A 78 7.691 -2.125 1.385 1.00 0.00 C ATOM 1299 NZ LYS A 78 7.856 -2.533 -0.028 1.00 0.00 N ATOM 0 H LYS A 78 8.025 2.286 3.081 1.00 0.00 H new ATOM 0 HA LYS A 78 9.116 2.836 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.216 0.504 0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.453 0.687 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.062 -0.018 2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.759 1.027 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.900 -1.170 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.369 -0.667 0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.662 -1.879 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.288 -2.955 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.395 -3.422 -0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.921 -2.673 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.369 -1.791 -0.546 1.00 0.00 H new ATOM 1312 N ILE A 79 5.848 2.710 0.797 1.00 0.00 N ATOM 1313 CA ILE A 79 4.604 3.091 0.150 1.00 0.00 C ATOM 1314 C ILE A 79 4.606 4.600 -0.102 1.00 0.00 C ATOM 1315 O ILE A 79 4.650 5.041 -1.249 1.00 0.00 O ATOM 1316 CB ILE A 79 3.405 2.606 0.966 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.349 1.077 1.003 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.102 3.214 0.443 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.513 0.587 2.187 1.00 0.00 C ATOM 0 H ILE A 79 5.738 2.302 1.725 1.00 0.00 H new ATOM 0 HA ILE A 79 4.516 2.605 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 79 3.531 2.949 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.922 0.703 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.359 0.674 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.266 2.852 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.154 4.301 0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.957 2.923 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.490 -0.503 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.956 0.943 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.497 0.971 2.099 1.00 0.00 H new ATOM 1331 N ARG A 80 4.559 5.350 0.989 1.00 0.00 N ATOM 1332 CA ARG A 80 4.555 6.800 0.901 1.00 0.00 C ATOM 1333 C ARG A 80 5.585 7.272 -0.127 1.00 0.00 C ATOM 1334 O ARG A 80 5.448 8.354 -0.697 1.00 0.00 O ATOM 1335 CB ARG A 80 4.870 7.435 2.257 1.00 0.00 C ATOM 1336 CG ARG A 80 6.373 7.406 2.541 1.00 0.00 C ATOM 1337 CD ARG A 80 7.012 8.767 2.257 1.00 0.00 C ATOM 1338 NE ARG A 80 8.446 8.596 1.934 1.00 0.00 N ATOM 1339 CZ ARG A 80 9.183 9.503 1.258 1.00 0.00 C ATOM 1340 NH1 ARG A 80 8.625 10.654 0.827 1.00 0.00 N ATOM 1341 NH2 ARG A 80 10.456 9.247 1.025 1.00 0.00 N ATOM 0 H ARG A 80 4.523 4.980 1.939 1.00 0.00 H new ATOM 0 HA ARG A 80 3.558 7.111 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.513 8.465 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.337 6.902 3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.545 7.130 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.848 6.642 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.499 9.252 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.901 9.418 3.124 1.00 0.00 H new ATOM 0 HE ARG A 80 8.906 7.739 2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.640 10.844 1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.188 11.334 0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.869 8.374 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.027 9.922 0.516 1.00 0.00 H new ATOM 1354 N ARG A 81 6.594 6.438 -0.333 1.00 0.00 N ATOM 1355 CA ARG A 81 7.646 6.757 -1.282 1.00 0.00 C ATOM 1356 C ARG A 81 7.063 6.916 -2.688 1.00 0.00 C ATOM 1357 O ARG A 81 6.995 8.026 -3.213 1.00 0.00 O ATOM 1358 CB ARG A 81 8.718 5.665 -1.303 1.00 0.00 C ATOM 1359 CG ARG A 81 10.121 6.273 -1.245 1.00 0.00 C ATOM 1360 CD ARG A 81 11.019 5.685 -2.336 1.00 0.00 C ATOM 1361 NE ARG A 81 12.405 6.175 -2.168 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.312 6.238 -3.166 1.00 0.00 C ATOM 1363 NH1 ARG A 81 12.984 5.843 -4.415 1.00 0.00 N ATOM 1364 NH2 ARG A 81 14.523 6.693 -2.903 1.00 0.00 N ATOM 0 H ARG A 81 6.705 5.542 0.141 1.00 0.00 H new ATOM 0 HA ARG A 81 8.104 7.695 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.574 4.993 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.614 5.066 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.058 7.355 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.562 6.086 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.001 4.596 -2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.642 5.965 -3.319 1.00 0.00 H new ATOM 0 HE ARG A 81 12.693 6.485 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.045 5.494 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.675 5.894 -5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.762 6.991 -1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.220 6.747 -3.646 1.00 0.00 H new ATOM 1377 N ALA A 82 6.657 5.790 -3.257 1.00 0.00 N ATOM 1378 CA ALA A 82 6.082 5.791 -4.591 1.00 0.00 C ATOM 1379 C ALA A 82 4.913 6.777 -4.637 1.00 0.00 C ATOM 1380 O ALA A 82 4.653 7.389 -5.672 1.00 0.00 O ATOM 1381 CB ALA A 82 5.660 4.369 -4.966 1.00 0.00 C ATOM 0 H ALA A 82 6.715 4.871 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 82 6.818 6.117 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.228 4.370 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.531 3.714 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.919 4.009 -4.252 1.00 0.00 H new