USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 490 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 10 LYS NZ :NH3+ -168:sc= -0.247 (180deg=-0.391) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -83:sc= 0.00323 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 176:sc= -0.764 (180deg=-0.815) USER MOD Single : A 53 HIS : no HD1:sc= -5.76! C(o=-5.8!,f=-8.7!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 160:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.13! C(o=-1.1!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.170 12.565 8.915 1.00 0.00 N ATOM 95 CA LYS A 10 0.752 12.511 7.580 1.00 0.00 C ATOM 96 C LYS A 10 1.742 11.357 7.464 1.00 0.00 C ATOM 97 O LYS A 10 1.445 10.329 6.854 1.00 0.00 O ATOM 98 CB LYS A 10 1.452 13.833 7.252 1.00 0.00 C ATOM 99 CG LYS A 10 0.537 15.042 7.337 1.00 0.00 C ATOM 100 CD LYS A 10 -0.528 15.014 6.254 1.00 0.00 C ATOM 101 CE LYS A 10 -1.684 15.945 6.585 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.759 15.881 5.556 1.00 0.00 N ATOM 0 HA LYS A 10 -0.055 12.347 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.288 13.972 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.870 13.774 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.060 15.070 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.128 15.953 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.087 15.305 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.901 13.997 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.097 15.680 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.316 16.968 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.427 16.665 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.337 15.957 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.265 14.976 5.638 1.00 0.00 H new ATOM 116 N LYS A 11 2.920 11.532 8.055 1.00 0.00 N ATOM 117 CA LYS A 11 3.953 10.505 8.021 1.00 0.00 C ATOM 118 C LYS A 11 3.416 9.175 8.539 1.00 0.00 C ATOM 119 O LYS A 11 2.464 9.124 9.319 1.00 0.00 O ATOM 120 CB LYS A 11 5.161 10.939 8.855 1.00 0.00 C ATOM 121 CG LYS A 11 5.922 12.111 8.259 1.00 0.00 C ATOM 122 CD LYS A 11 6.592 12.946 9.337 1.00 0.00 C ATOM 123 CE LYS A 11 7.952 12.379 9.716 1.00 0.00 C ATOM 124 NZ LYS A 11 9.000 12.739 8.722 1.00 0.00 N ATOM 0 H LYS A 11 3.182 12.377 8.563 1.00 0.00 H new ATOM 0 HA LYS A 11 4.263 10.372 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.823 11.207 9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.840 10.093 8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.675 11.741 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.238 12.736 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.709 13.971 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.953 12.983 10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.240 12.753 10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.884 11.294 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.912 12.334 9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.738 12.361 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.083 13.774 8.665 1.00 0.00 H new ATOM 138 N PRO A 12 4.039 8.071 8.099 1.00 0.00 N ATOM 139 CA PRO A 12 3.641 6.721 8.507 1.00 0.00 C ATOM 140 C PRO A 12 3.965 6.439 9.970 1.00 0.00 C ATOM 141 O PRO A 12 5.127 6.340 10.366 1.00 0.00 O ATOM 142 CB PRO A 12 4.467 5.815 7.592 1.00 0.00 C ATOM 143 CG PRO A 12 5.657 6.633 7.224 1.00 0.00 C ATOM 144 CD PRO A 12 5.180 8.057 7.168 1.00 0.00 C ATOM 0 HA PRO A 12 2.565 6.570 8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.760 4.898 8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.900 5.521 6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.453 6.517 7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.064 6.320 6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.959 8.754 7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.879 8.341 6.159 1.00 0.00 H new ATOM 152 N PRO A 13 2.916 6.305 10.795 1.00 0.00 N ATOM 153 CA PRO A 13 3.065 6.032 12.228 1.00 0.00 C ATOM 154 C PRO A 13 3.581 4.623 12.498 1.00 0.00 C ATOM 155 O PRO A 13 3.615 3.781 11.601 1.00 0.00 O ATOM 156 CB PRO A 13 1.642 6.193 12.769 1.00 0.00 C ATOM 157 CG PRO A 13 0.759 5.916 11.602 1.00 0.00 C ATOM 158 CD PRO A 13 1.503 6.411 10.393 1.00 0.00 C ATOM 0 HA PRO A 13 3.792 6.696 12.697 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.448 5.498 13.586 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.478 7.197 13.160 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.545 4.851 11.519 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.198 6.426 11.707 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.289 5.804 9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.231 7.437 10.146 1.00 0.00 H new ATOM 166 N ASN A 14 3.983 4.372 13.740 1.00 0.00 N ATOM 167 CA ASN A 14 4.498 3.064 14.128 1.00 0.00 C ATOM 168 C ASN A 14 3.556 1.953 13.675 1.00 0.00 C ATOM 169 O ASN A 14 2.539 1.687 14.317 1.00 0.00 O ATOM 170 CB ASN A 14 4.692 2.999 15.644 1.00 0.00 C ATOM 171 CG ASN A 14 5.754 1.995 16.048 1.00 0.00 C ATOM 172 OD1 ASN A 14 6.555 1.555 15.223 1.00 0.00 O ATOM 173 ND2 ASN A 14 5.765 1.626 17.324 1.00 0.00 N ATOM 0 H ASN A 14 3.962 5.058 14.495 1.00 0.00 H new ATOM 0 HA ASN A 14 5.462 2.920 13.639 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.969 3.986 16.015 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.747 2.734 16.118 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.456 0.953 17.654 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.082 2.016 17.974 1.00 0.00 H new ATOM 180 N ARG A 15 3.902 1.306 12.567 1.00 0.00 N ATOM 181 CA ARG A 15 3.087 0.224 12.029 1.00 0.00 C ATOM 182 C ARG A 15 3.965 -0.921 11.530 1.00 0.00 C ATOM 183 O ARG A 15 4.595 -0.838 10.475 1.00 0.00 O ATOM 184 CB ARG A 15 2.206 0.738 10.889 1.00 0.00 C ATOM 185 CG ARG A 15 1.061 1.623 11.357 1.00 0.00 C ATOM 186 CD ARG A 15 0.007 1.789 10.273 1.00 0.00 C ATOM 187 NE ARG A 15 -0.927 2.869 10.580 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.910 3.242 9.768 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.088 2.625 8.608 1.00 0.00 N ATOM 190 NH2 ARG A 15 -2.720 4.234 10.117 1.00 0.00 N ATOM 0 H ARG A 15 4.741 1.512 12.025 1.00 0.00 H new ATOM 0 HA ARG A 15 2.450 -0.150 12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.824 1.298 10.187 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.797 -0.113 10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.604 1.189 12.247 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.449 2.601 11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.496 1.992 9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.544 0.856 10.156 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.819 3.363 11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.469 1.861 8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.844 2.914 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.588 4.710 11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.475 4.520 9.493 1.00 0.00 H new ATOM 204 N PRO A 16 4.008 -2.015 12.304 1.00 0.00 N ATOM 205 CA PRO A 16 4.804 -3.197 11.961 1.00 0.00 C ATOM 206 C PRO A 16 4.239 -3.949 10.762 1.00 0.00 C ATOM 207 O PRO A 16 3.550 -4.956 10.917 1.00 0.00 O ATOM 208 CB PRO A 16 4.719 -4.060 13.222 1.00 0.00 C ATOM 209 CG PRO A 16 3.448 -3.645 13.880 1.00 0.00 C ATOM 210 CD PRO A 16 3.282 -2.183 13.574 1.00 0.00 C ATOM 0 HA PRO A 16 5.823 -2.933 11.676 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.709 -5.122 12.975 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.576 -3.893 13.875 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.605 -4.222 13.499 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.491 -3.816 14.956 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.231 -1.910 13.475 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.701 -1.557 14.362 1.00 0.00 H new ATOM 218 N GLY A 17 4.535 -3.452 9.564 1.00 0.00 N ATOM 219 CA GLY A 17 4.048 -4.091 8.355 1.00 0.00 C ATOM 220 C GLY A 17 3.890 -3.114 7.207 1.00 0.00 C ATOM 221 O GLY A 17 4.651 -3.154 6.240 1.00 0.00 O ATOM 0 H GLY A 17 5.103 -2.619 9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.738 -4.882 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.088 -4.565 8.560 1.00 0.00 H new ATOM 225 N ILE A 18 2.899 -2.235 7.313 1.00 0.00 N ATOM 226 CA ILE A 18 2.644 -1.244 6.275 1.00 0.00 C ATOM 227 C ILE A 18 3.650 -0.101 6.346 1.00 0.00 C ATOM 228 O ILE A 18 4.019 0.350 7.430 1.00 0.00 O ATOM 229 CB ILE A 18 1.220 -0.667 6.385 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.208 -1.790 6.626 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.865 0.112 5.128 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.219 -1.302 6.741 1.00 0.00 C ATOM 0 H ILE A 18 2.260 -2.189 8.107 1.00 0.00 H new ATOM 0 HA ILE A 18 2.747 -1.756 5.318 1.00 0.00 H new ATOM 0 HB ILE A 18 1.186 0.016 7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.273 -2.508 5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.477 -2.321 7.539 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.144 0.513 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.571 0.932 4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.914 -0.550 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.881 -2.151 6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.299 -0.606 7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.506 -0.797 5.819 1.00 0.00 H new ATOM 244 N THR A 19 4.091 0.365 5.181 1.00 0.00 N ATOM 245 CA THR A 19 5.055 1.456 5.110 1.00 0.00 C ATOM 246 C THR A 19 4.791 2.345 3.900 1.00 0.00 C ATOM 247 O THR A 19 5.076 1.965 2.765 1.00 0.00 O ATOM 248 CB THR A 19 6.500 0.926 5.039 1.00 0.00 C ATOM 249 OG1 THR A 19 6.827 0.230 6.247 1.00 0.00 O ATOM 250 CG2 THR A 19 7.484 2.065 4.821 1.00 0.00 C ATOM 0 H THR A 19 3.796 0.004 4.274 1.00 0.00 H new ATOM 0 HA THR A 19 4.936 2.043 6.021 1.00 0.00 H new ATOM 0 HB THR A 19 6.571 0.240 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.746 -0.105 6.193 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.497 1.666 4.774 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.251 2.573 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.410 2.773 5.647 1.00 0.00 H new ATOM 258 N PHE A 20 4.246 3.531 4.151 1.00 0.00 N ATOM 259 CA PHE A 20 3.944 4.474 3.081 1.00 0.00 C ATOM 260 C PHE A 20 5.223 4.957 2.404 1.00 0.00 C ATOM 261 O PHE A 20 5.952 5.783 2.951 1.00 0.00 O ATOM 262 CB PHE A 20 3.162 5.669 3.632 1.00 0.00 C ATOM 263 CG PHE A 20 2.026 5.279 4.534 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.211 4.204 4.216 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.775 5.985 5.698 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.165 3.843 5.044 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.730 5.629 6.530 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.076 4.555 6.203 1.00 0.00 C ATOM 0 H PHE A 20 4.005 3.861 5.085 1.00 0.00 H new ATOM 0 HA PHE A 20 3.334 3.960 2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.845 6.318 4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.770 6.252 2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.395 3.643 3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.403 6.824 5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.464 3.004 4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.544 6.189 7.434 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.892 4.273 6.852 1.00 0.00 H new ATOM 278 N GLU A 21 5.487 4.434 1.211 1.00 0.00 N ATOM 279 CA GLU A 21 6.679 4.811 0.459 1.00 0.00 C ATOM 280 C GLU A 21 6.403 4.799 -1.041 1.00 0.00 C ATOM 281 O GLU A 21 5.296 4.479 -1.477 1.00 0.00 O ATOM 282 CB GLU A 21 7.835 3.862 0.784 1.00 0.00 C ATOM 283 CG GLU A 21 8.692 4.323 1.950 1.00 0.00 C ATOM 284 CD GLU A 21 10.112 3.796 1.875 1.00 0.00 C ATOM 285 OE1 GLU A 21 10.313 2.595 2.150 1.00 0.00 O ATOM 286 OE2 GLU A 21 11.021 4.585 1.542 1.00 0.00 O ATOM 0 H GLU A 21 4.893 3.749 0.744 1.00 0.00 H new ATOM 0 HA GLU A 21 6.956 5.824 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.431 2.875 1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.465 3.755 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.714 5.413 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.235 3.995 2.884 1.00 0.00 H new ATOM 293 N ILE A 22 7.415 5.151 -1.826 1.00 0.00 N ATOM 294 CA ILE A 22 7.282 5.180 -3.277 1.00 0.00 C ATOM 295 C ILE A 22 7.613 3.822 -3.887 1.00 0.00 C ATOM 296 O ILE A 22 8.767 3.397 -3.892 1.00 0.00 O ATOM 297 CB ILE A 22 8.196 6.249 -3.905 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.762 7.647 -3.461 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.176 6.139 -5.422 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.281 7.903 -3.631 1.00 0.00 C ATOM 0 H ILE A 22 8.337 5.420 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 22 6.243 5.429 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 22 9.217 6.080 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.028 7.785 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.319 8.390 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.827 6.901 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.529 5.152 -5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.158 6.285 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.046 8.913 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.012 7.797 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.717 7.183 -3.038 1.00 0.00 H new ATOM 312 N GLY A 23 6.591 3.147 -4.404 1.00 0.00 N ATOM 313 CA GLY A 23 6.794 1.845 -5.011 1.00 0.00 C ATOM 314 C GLY A 23 6.492 0.706 -4.057 1.00 0.00 C ATOM 315 O GLY A 23 6.488 -0.459 -4.452 1.00 0.00 O ATOM 0 H GLY A 23 5.626 3.479 -4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.158 1.755 -5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.826 1.764 -5.353 1.00 0.00 H new ATOM 319 N ALA A 24 6.239 1.044 -2.797 1.00 0.00 N ATOM 320 CA ALA A 24 5.935 0.041 -1.784 1.00 0.00 C ATOM 321 C ALA A 24 4.714 -0.784 -2.177 1.00 0.00 C ATOM 322 O ALA A 24 3.711 -0.242 -2.642 1.00 0.00 O ATOM 323 CB ALA A 24 5.712 0.706 -0.433 1.00 0.00 C ATOM 0 H ALA A 24 6.239 2.004 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 24 6.788 -0.633 -1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.486 -0.055 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.613 1.246 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.878 1.404 -0.504 1.00 0.00 H new ATOM 329 N ARG A 25 4.806 -2.096 -1.987 1.00 0.00 N ATOM 330 CA ARG A 25 3.710 -2.995 -2.324 1.00 0.00 C ATOM 331 C ARG A 25 2.883 -3.333 -1.087 1.00 0.00 C ATOM 332 O ARG A 25 3.390 -3.920 -0.130 1.00 0.00 O ATOM 333 CB ARG A 25 4.251 -4.280 -2.955 1.00 0.00 C ATOM 334 CG ARG A 25 5.223 -4.035 -4.098 1.00 0.00 C ATOM 335 CD ARG A 25 5.651 -5.338 -4.754 1.00 0.00 C ATOM 336 NE ARG A 25 6.010 -5.151 -6.158 1.00 0.00 N ATOM 337 CZ ARG A 25 6.114 -6.149 -7.028 1.00 0.00 C ATOM 338 NH1 ARG A 25 5.888 -7.397 -6.642 1.00 0.00 N ATOM 339 NH2 ARG A 25 6.445 -5.900 -8.289 1.00 0.00 N ATOM 0 H ARG A 25 5.629 -2.560 -1.601 1.00 0.00 H new ATOM 0 HA ARG A 25 3.066 -2.488 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.749 -4.871 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.414 -4.875 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.757 -3.388 -4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.101 -3.509 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.502 -5.753 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.842 -6.064 -4.680 1.00 0.00 H new ATOM 0 HE ARG A 25 6.190 -4.203 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.633 -7.593 -5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.969 -8.161 -7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.620 -4.941 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.525 -6.667 -8.956 1.00 0.00 H new ATOM 353 N LEU A 26 1.609 -2.956 -1.112 1.00 0.00 N ATOM 354 CA LEU A 26 0.712 -3.218 0.008 1.00 0.00 C ATOM 355 C LEU A 26 -0.689 -3.564 -0.486 1.00 0.00 C ATOM 356 O LEU A 26 -0.972 -3.488 -1.681 1.00 0.00 O ATOM 357 CB LEU A 26 0.653 -2.003 0.934 1.00 0.00 C ATOM 358 CG LEU A 26 0.363 -0.660 0.262 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.587 -0.168 -0.495 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.833 -0.777 -0.671 1.00 0.00 C ATOM 0 H LEU A 26 1.174 -2.468 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 26 1.103 -4.071 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.114 -2.183 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.605 -1.925 1.460 1.00 0.00 H new ATOM 0 HG LEU A 26 0.123 0.068 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.363 0.789 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.418 -0.044 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.858 -0.895 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.024 0.188 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.623 -1.519 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.710 -1.084 -0.101 1.00 0.00 H new ATOM 372 N GLU A 27 -1.562 -3.942 0.442 1.00 0.00 N ATOM 373 CA GLU A 27 -2.934 -4.298 0.100 1.00 0.00 C ATOM 374 C GLU A 27 -3.868 -3.106 0.288 1.00 0.00 C ATOM 375 O GLU A 27 -3.691 -2.303 1.203 1.00 0.00 O ATOM 376 CB GLU A 27 -3.409 -5.473 0.958 1.00 0.00 C ATOM 377 CG GLU A 27 -2.718 -6.785 0.629 1.00 0.00 C ATOM 378 CD GLU A 27 -3.168 -7.922 1.526 1.00 0.00 C ATOM 379 OE1 GLU A 27 -4.304 -7.860 2.039 1.00 0.00 O ATOM 380 OE2 GLU A 27 -2.382 -8.875 1.715 1.00 0.00 O ATOM 0 H GLU A 27 -1.344 -4.010 1.436 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.955 -4.592 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.240 -5.237 2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.484 -5.596 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.918 -7.046 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.640 -6.657 0.724 1.00 0.00 H new ATOM 387 N ALA A 28 -4.863 -2.998 -0.587 1.00 0.00 N ATOM 388 CA ALA A 28 -5.826 -1.906 -0.517 1.00 0.00 C ATOM 389 C ALA A 28 -7.257 -2.435 -0.520 1.00 0.00 C ATOM 390 O ALA A 28 -7.589 -3.353 -1.271 1.00 0.00 O ATOM 391 CB ALA A 28 -5.615 -0.942 -1.675 1.00 0.00 C ATOM 0 H ALA A 28 -5.023 -3.653 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.666 -1.372 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.341 -0.131 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.607 -0.531 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.746 -1.472 -2.618 1.00 0.00 H new ATOM 397 N LEU A 29 -8.100 -1.851 0.324 1.00 0.00 N ATOM 398 CA LEU A 29 -9.496 -2.263 0.419 1.00 0.00 C ATOM 399 C LEU A 29 -10.362 -1.485 -0.566 1.00 0.00 C ATOM 400 O LEU A 29 -10.563 -0.280 -0.414 1.00 0.00 O ATOM 401 CB LEU A 29 -10.013 -2.057 1.844 1.00 0.00 C ATOM 402 CG LEU A 29 -11.373 -2.681 2.161 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.240 -4.185 2.342 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.975 -2.043 3.404 1.00 0.00 C ATOM 0 H LEU A 29 -7.841 -1.091 0.953 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.555 -3.322 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.278 -2.464 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.073 -0.986 2.036 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.042 -2.495 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.217 -4.612 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.852 -4.629 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.555 -4.393 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.942 -2.499 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.308 -2.198 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.107 -0.974 3.237 1.00 0.00 H new ATOM 416 N ASP A 30 -10.874 -2.182 -1.575 1.00 0.00 N ATOM 417 CA ASP A 30 -11.722 -1.558 -2.583 1.00 0.00 C ATOM 418 C ASP A 30 -13.077 -1.179 -1.995 1.00 0.00 C ATOM 419 O ASP A 30 -13.461 -1.663 -0.930 1.00 0.00 O ATOM 420 CB ASP A 30 -11.914 -2.500 -3.773 1.00 0.00 C ATOM 421 CG ASP A 30 -13.114 -3.411 -3.602 1.00 0.00 C ATOM 422 OD1 ASP A 30 -13.519 -3.647 -2.445 1.00 0.00 O ATOM 423 OD2 ASP A 30 -13.648 -3.888 -4.626 1.00 0.00 O ATOM 0 H ASP A 30 -10.716 -3.180 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.228 -0.649 -2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.035 -1.912 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.017 -3.106 -3.902 1.00 0.00 H new ATOM 428 N TYR A 31 -13.798 -0.309 -2.694 1.00 0.00 N ATOM 429 CA TYR A 31 -15.109 0.138 -2.239 1.00 0.00 C ATOM 430 C TYR A 31 -16.022 -1.050 -1.956 1.00 0.00 C ATOM 431 O TYR A 31 -16.952 -0.957 -1.154 1.00 0.00 O ATOM 432 CB TYR A 31 -15.751 1.051 -3.285 1.00 0.00 C ATOM 433 CG TYR A 31 -15.599 0.548 -4.703 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.466 0.846 -5.449 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.589 -0.225 -5.297 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.323 0.389 -6.745 1.00 0.00 C ATOM 437 CE2 TYR A 31 -16.455 -0.688 -6.591 1.00 0.00 C ATOM 438 CZ TYR A 31 -15.320 -0.378 -7.311 1.00 0.00 C ATOM 439 OH TYR A 31 -15.182 -0.835 -8.602 1.00 0.00 O ATOM 0 H TYR A 31 -13.496 0.101 -3.578 1.00 0.00 H new ATOM 0 HA TYR A 31 -14.973 0.697 -1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -16.812 1.159 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.306 2.043 -3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.683 1.445 -5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.480 -0.468 -4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.436 0.631 -7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.234 -1.289 -7.037 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.971 -1.361 -8.849 1.00 0.00 H new ATOM 449 N LEU A 32 -15.750 -2.168 -2.621 1.00 0.00 N ATOM 450 CA LEU A 32 -16.546 -3.378 -2.442 1.00 0.00 C ATOM 451 C LEU A 32 -16.020 -4.207 -1.274 1.00 0.00 C ATOM 452 O LEU A 32 -16.354 -5.384 -1.137 1.00 0.00 O ATOM 453 CB LEU A 32 -16.534 -4.214 -3.722 1.00 0.00 C ATOM 454 CG LEU A 32 -16.855 -3.465 -5.016 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.578 -4.344 -6.225 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.303 -2.996 -5.015 1.00 0.00 C ATOM 0 H LEU A 32 -14.985 -2.262 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.571 -3.080 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.550 -4.671 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.252 -5.026 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.210 -2.588 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.812 -3.794 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.526 -4.630 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.197 -5.240 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.514 -2.465 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.965 -3.858 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.469 -2.329 -4.169 1.00 0.00 H new ATOM 468 N GLN A 33 -15.198 -3.585 -0.436 1.00 0.00 N ATOM 469 CA GLN A 33 -14.628 -4.266 0.721 1.00 0.00 C ATOM 470 C GLN A 33 -13.868 -5.518 0.295 1.00 0.00 C ATOM 471 O GLN A 33 -14.133 -6.615 0.786 1.00 0.00 O ATOM 472 CB GLN A 33 -15.730 -4.637 1.715 1.00 0.00 C ATOM 473 CG GLN A 33 -16.509 -3.440 2.234 1.00 0.00 C ATOM 474 CD GLN A 33 -17.228 -3.731 3.536 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.644 -3.636 4.616 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.504 -4.089 3.442 1.00 0.00 N ATOM 0 H GLN A 33 -14.912 -2.611 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.928 -3.585 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.422 -5.330 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.284 -5.164 2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.826 -2.603 2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.236 -3.131 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.949 -4.155 2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.039 -4.298 4.285 1.00 0.00 H new ATOM 485 N LYS A 34 -12.922 -5.347 -0.622 1.00 0.00 N ATOM 486 CA LYS A 34 -12.122 -6.462 -1.114 1.00 0.00 C ATOM 487 C LYS A 34 -10.634 -6.193 -0.916 1.00 0.00 C ATOM 488 O LYS A 34 -10.173 -5.062 -1.069 1.00 0.00 O ATOM 489 CB LYS A 34 -12.414 -6.711 -2.595 1.00 0.00 C ATOM 490 CG LYS A 34 -13.871 -7.030 -2.883 1.00 0.00 C ATOM 491 CD LYS A 34 -14.229 -8.441 -2.450 1.00 0.00 C ATOM 492 CE LYS A 34 -15.731 -8.609 -2.284 1.00 0.00 C ATOM 493 NZ LYS A 34 -16.114 -10.038 -2.116 1.00 0.00 N ATOM 0 H LYS A 34 -12.690 -4.446 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.391 -7.350 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.124 -5.830 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.794 -7.536 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.510 -6.316 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.066 -6.915 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.862 -9.154 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.730 -8.672 -1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.067 -8.039 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.241 -8.196 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.146 -10.110 -2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.817 -10.578 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.648 -10.425 -1.271 1.00 0.00 H new ATOM 507 N TRP A 35 -9.888 -7.238 -0.578 1.00 0.00 N ATOM 508 CA TRP A 35 -8.451 -7.114 -0.361 1.00 0.00 C ATOM 509 C TRP A 35 -7.675 -7.529 -1.606 1.00 0.00 C ATOM 510 O TRP A 35 -7.932 -8.584 -2.187 1.00 0.00 O ATOM 511 CB TRP A 35 -8.019 -7.968 0.832 1.00 0.00 C ATOM 512 CG TRP A 35 -8.630 -7.530 2.129 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.488 -8.246 2.914 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.432 -6.275 2.789 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.835 -7.512 4.022 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.199 -6.299 3.970 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.679 -5.134 2.499 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.235 -5.226 4.856 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.715 -4.070 3.380 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.488 -4.122 4.547 1.00 0.00 C ATOM 0 H TRP A 35 -10.254 -8.181 -0.448 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.230 -6.068 -0.149 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.290 -9.007 0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.933 -7.933 0.920 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.842 -9.243 2.696 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.464 -7.820 4.763 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.079 -5.085 1.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.831 -5.264 5.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.137 -3.183 3.165 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.495 -3.274 5.216 1.00 0.00 H new ATOM 531 N TYR A 36 -6.725 -6.693 -2.011 1.00 0.00 N ATOM 532 CA TYR A 36 -5.913 -6.973 -3.189 1.00 0.00 C ATOM 533 C TYR A 36 -4.580 -6.234 -3.120 1.00 0.00 C ATOM 534 O TYR A 36 -4.453 -5.188 -2.483 1.00 0.00 O ATOM 535 CB TYR A 36 -6.665 -6.573 -4.460 1.00 0.00 C ATOM 536 CG TYR A 36 -7.973 -7.309 -4.646 1.00 0.00 C ATOM 537 CD1 TYR A 36 -8.002 -8.691 -4.780 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.179 -6.621 -4.686 1.00 0.00 C ATOM 539 CE1 TYR A 36 -9.195 -9.367 -4.951 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.377 -7.288 -4.855 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.380 -8.661 -4.988 1.00 0.00 C ATOM 542 OH TYR A 36 -11.570 -9.331 -5.156 1.00 0.00 O ATOM 0 H TYR A 36 -6.499 -5.816 -1.541 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.713 -8.044 -3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.861 -5.501 -4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.027 -6.759 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.076 -9.247 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.180 -5.546 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.200 -10.442 -5.055 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.306 -6.738 -4.883 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.310 -8.688 -5.159 1.00 0.00 H new ATOM 552 N PRO A 37 -3.561 -6.789 -3.792 1.00 0.00 N ATOM 553 CA PRO A 37 -2.219 -6.200 -3.824 1.00 0.00 C ATOM 554 C PRO A 37 -2.173 -4.907 -4.630 1.00 0.00 C ATOM 555 O PRO A 37 -2.855 -4.772 -5.646 1.00 0.00 O ATOM 556 CB PRO A 37 -1.373 -7.282 -4.500 1.00 0.00 C ATOM 557 CG PRO A 37 -2.339 -8.058 -5.327 1.00 0.00 C ATOM 558 CD PRO A 37 -3.640 -8.036 -4.572 1.00 0.00 C ATOM 0 HA PRO A 37 -1.870 -5.927 -2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.588 -6.843 -5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.882 -7.918 -3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.453 -7.612 -6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.992 -9.080 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.496 -8.034 -5.247 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.745 -8.908 -3.926 1.00 0.00 H new ATOM 566 N SER A 38 -1.364 -3.957 -4.170 1.00 0.00 N ATOM 567 CA SER A 38 -1.232 -2.672 -4.847 1.00 0.00 C ATOM 568 C SER A 38 0.127 -2.043 -4.557 1.00 0.00 C ATOM 569 O SER A 38 0.903 -2.558 -3.751 1.00 0.00 O ATOM 570 CB SER A 38 -2.350 -1.724 -4.410 1.00 0.00 C ATOM 571 OG SER A 38 -3.619 -2.215 -4.806 1.00 0.00 O ATOM 0 H SER A 38 -0.791 -4.053 -3.332 1.00 0.00 H new ATOM 0 HA SER A 38 -1.311 -2.844 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.325 -1.602 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.186 -0.738 -4.845 1.00 0.00 H new ATOM 0 HG SER A 38 -3.790 -1.965 -5.738 1.00 0.00 H new ATOM 577 N ARG A 39 0.408 -0.925 -5.219 1.00 0.00 N ATOM 578 CA ARG A 39 1.673 -0.225 -5.033 1.00 0.00 C ATOM 579 C ARG A 39 1.447 1.278 -4.895 1.00 0.00 C ATOM 580 O ARG A 39 0.378 1.788 -5.229 1.00 0.00 O ATOM 581 CB ARG A 39 2.612 -0.504 -6.209 1.00 0.00 C ATOM 582 CG ARG A 39 3.548 -1.679 -5.975 1.00 0.00 C ATOM 583 CD ARG A 39 4.523 -1.852 -7.128 1.00 0.00 C ATOM 584 NE ARG A 39 5.459 -0.735 -7.225 1.00 0.00 N ATOM 585 CZ ARG A 39 6.461 -0.689 -8.097 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.655 -1.692 -8.942 1.00 0.00 N ATOM 587 NH2 ARG A 39 7.271 0.361 -8.124 1.00 0.00 N ATOM 0 H ARG A 39 -0.223 -0.485 -5.889 1.00 0.00 H new ATOM 0 HA ARG A 39 2.132 -0.592 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.016 -0.697 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.205 0.388 -6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.102 -1.526 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.965 -2.591 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.079 -2.780 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.968 -1.942 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 39 5.337 0.053 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.035 -2.501 -8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.425 -1.654 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.125 1.134 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.040 0.395 -8.794 1.00 0.00 H new ATOM 601 N ILE A 40 2.461 1.980 -4.400 1.00 0.00 N ATOM 602 CA ILE A 40 2.373 3.424 -4.218 1.00 0.00 C ATOM 603 C ILE A 40 3.111 4.164 -5.328 1.00 0.00 C ATOM 604 O ILE A 40 4.334 4.294 -5.294 1.00 0.00 O ATOM 605 CB ILE A 40 2.951 3.856 -2.857 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.987 3.483 -1.728 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.230 5.351 -2.851 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.637 3.458 -0.363 1.00 0.00 C ATOM 0 H ILE A 40 3.353 1.573 -4.118 1.00 0.00 H new ATOM 0 HA ILE A 40 1.315 3.682 -4.253 1.00 0.00 H new ATOM 0 HB ILE A 40 3.892 3.330 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.162 4.195 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.559 2.502 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.638 5.641 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.949 5.590 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.303 5.895 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.895 3.186 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.444 2.725 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.041 4.444 -0.134 1.00 0.00 H new ATOM 620 N GLU A 41 2.358 4.648 -6.311 1.00 0.00 N ATOM 621 CA GLU A 41 2.941 5.376 -7.432 1.00 0.00 C ATOM 622 C GLU A 41 3.544 6.699 -6.966 1.00 0.00 C ATOM 623 O GLU A 41 4.673 7.038 -7.320 1.00 0.00 O ATOM 624 CB GLU A 41 1.884 5.635 -8.507 1.00 0.00 C ATOM 625 CG GLU A 41 1.507 4.396 -9.301 1.00 0.00 C ATOM 626 CD GLU A 41 2.490 4.096 -10.416 1.00 0.00 C ATOM 627 OE1 GLU A 41 2.315 4.646 -11.523 1.00 0.00 O ATOM 628 OE2 GLU A 41 3.433 3.312 -10.181 1.00 0.00 O ATOM 0 H GLU A 41 1.344 4.549 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 41 3.736 4.763 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.989 6.040 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.255 6.397 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.454 3.540 -8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.512 4.530 -9.725 1.00 0.00 H new ATOM 635 N LYS A 42 2.782 7.442 -6.171 1.00 0.00 N ATOM 636 CA LYS A 42 3.239 8.727 -5.655 1.00 0.00 C ATOM 637 C LYS A 42 2.665 8.991 -4.267 1.00 0.00 C ATOM 638 O LYS A 42 1.762 8.287 -3.814 1.00 0.00 O ATOM 639 CB LYS A 42 2.836 9.854 -6.608 1.00 0.00 C ATOM 640 CG LYS A 42 3.715 9.951 -7.843 1.00 0.00 C ATOM 641 CD LYS A 42 3.062 10.790 -8.928 1.00 0.00 C ATOM 642 CE LYS A 42 3.722 10.565 -10.280 1.00 0.00 C ATOM 643 NZ LYS A 42 5.125 11.063 -10.302 1.00 0.00 N ATOM 0 H LYS A 42 1.844 7.176 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 42 4.326 8.694 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.802 9.703 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.872 10.802 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.676 10.388 -7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.916 8.951 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.003 10.542 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.126 11.845 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.711 9.501 -10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.145 11.070 -11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.540 10.891 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.134 12.083 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.682 10.563 -9.580 1.00 0.00 H new ATOM 657 N ILE A 43 3.195 10.009 -3.597 1.00 0.00 N ATOM 658 CA ILE A 43 2.733 10.366 -2.261 1.00 0.00 C ATOM 659 C ILE A 43 2.676 11.880 -2.086 1.00 0.00 C ATOM 660 O ILE A 43 3.565 12.601 -2.538 1.00 0.00 O ATOM 661 CB ILE A 43 3.643 9.769 -1.172 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.561 8.241 -1.190 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.256 10.309 0.197 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.620 7.569 -0.344 1.00 0.00 C ATOM 0 H ILE A 43 3.944 10.601 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 43 1.731 9.951 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 43 4.672 10.062 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.577 7.934 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.654 7.892 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.908 9.878 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.360 11.394 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.222 10.043 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.501 6.487 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.608 7.846 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.514 7.889 0.693 1.00 0.00 H new ATOM 676 N ASP A 44 1.625 12.355 -1.426 1.00 0.00 N ATOM 677 CA ASP A 44 1.453 13.783 -1.188 1.00 0.00 C ATOM 678 C ASP A 44 1.391 14.081 0.307 1.00 0.00 C ATOM 679 O ASP A 44 0.362 13.870 0.950 1.00 0.00 O ATOM 680 CB ASP A 44 0.183 14.287 -1.874 1.00 0.00 C ATOM 681 CG ASP A 44 0.225 15.778 -2.147 1.00 0.00 C ATOM 682 OD1 ASP A 44 0.737 16.524 -1.287 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.254 16.197 -3.221 1.00 0.00 O ATOM 0 H ASP A 44 0.879 11.772 -1.046 1.00 0.00 H new ATOM 0 HA ASP A 44 2.314 14.303 -1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.045 13.752 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.680 14.059 -1.248 1.00 0.00 H new ATOM 688 N TYR A 45 2.498 14.571 0.854 1.00 0.00 N ATOM 689 CA TYR A 45 2.570 14.895 2.274 1.00 0.00 C ATOM 690 C TYR A 45 1.892 16.230 2.563 1.00 0.00 C ATOM 691 O TYR A 45 1.473 16.493 3.690 1.00 0.00 O ATOM 692 CB TYR A 45 4.028 14.940 2.734 1.00 0.00 C ATOM 693 CG TYR A 45 4.662 13.575 2.875 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.878 12.770 1.763 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.046 13.091 4.119 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.456 11.521 1.888 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.626 11.844 4.253 1.00 0.00 C ATOM 698 CZ TYR A 45 5.828 11.063 3.134 1.00 0.00 C ATOM 699 OH TYR A 45 6.406 9.820 3.262 1.00 0.00 O ATOM 0 H TYR A 45 3.358 14.753 0.336 1.00 0.00 H new ATOM 0 HA TYR A 45 2.045 14.115 2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.607 15.528 2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.082 15.457 3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.589 13.126 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.888 13.700 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.615 10.907 1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.919 11.483 5.228 1.00 0.00 H new ATOM 0 HH TYR A 45 6.609 9.649 4.205 1.00 0.00 H new ATOM 709 N GLU A 46 1.787 17.068 1.537 1.00 0.00 N ATOM 710 CA GLU A 46 1.159 18.376 1.681 1.00 0.00 C ATOM 711 C GLU A 46 -0.359 18.246 1.761 1.00 0.00 C ATOM 712 O GLU A 46 -1.028 19.052 2.406 1.00 0.00 O ATOM 713 CB GLU A 46 1.543 19.283 0.509 1.00 0.00 C ATOM 714 CG GLU A 46 2.941 19.866 0.624 1.00 0.00 C ATOM 715 CD GLU A 46 3.329 20.694 -0.586 1.00 0.00 C ATOM 716 OE1 GLU A 46 3.037 21.908 -0.593 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.924 20.127 -1.526 1.00 0.00 O ATOM 0 H GLU A 46 2.128 16.865 0.598 1.00 0.00 H new ATOM 0 HA GLU A 46 1.517 18.822 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.471 18.715 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.823 20.098 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.999 20.487 1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.659 19.056 0.751 1.00 0.00 H new ATOM 724 N GLU A 47 -0.895 17.224 1.099 1.00 0.00 N ATOM 725 CA GLU A 47 -2.334 16.989 1.094 1.00 0.00 C ATOM 726 C GLU A 47 -2.709 15.888 2.082 1.00 0.00 C ATOM 727 O GLU A 47 -3.677 16.014 2.831 1.00 0.00 O ATOM 728 CB GLU A 47 -2.807 16.611 -0.311 1.00 0.00 C ATOM 729 CG GLU A 47 -2.982 17.804 -1.236 1.00 0.00 C ATOM 730 CD GLU A 47 -3.715 18.953 -0.572 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.877 18.755 -0.157 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.129 20.051 -0.469 1.00 0.00 O ATOM 0 H GLU A 47 -0.355 16.547 0.560 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.828 17.911 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.089 15.921 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.755 16.079 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.003 18.147 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.531 17.493 -2.125 1.00 0.00 H new ATOM 739 N GLY A 48 -1.934 14.808 2.077 1.00 0.00 N ATOM 740 CA GLY A 48 -2.200 13.699 2.976 1.00 0.00 C ATOM 741 C GLY A 48 -2.742 12.483 2.251 1.00 0.00 C ATOM 742 O GLY A 48 -3.462 11.673 2.835 1.00 0.00 O ATOM 0 H GLY A 48 -1.127 14.681 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.281 13.429 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.915 14.014 3.735 1.00 0.00 H new ATOM 746 N LYS A 49 -2.398 12.355 0.974 1.00 0.00 N ATOM 747 CA LYS A 49 -2.855 11.229 0.168 1.00 0.00 C ATOM 748 C LYS A 49 -1.690 10.582 -0.573 1.00 0.00 C ATOM 749 O LYS A 49 -0.538 10.984 -0.409 1.00 0.00 O ATOM 750 CB LYS A 49 -3.917 11.690 -0.833 1.00 0.00 C ATOM 751 CG LYS A 49 -3.475 12.862 -1.692 1.00 0.00 C ATOM 752 CD LYS A 49 -4.295 12.959 -2.968 1.00 0.00 C ATOM 753 CE LYS A 49 -3.552 13.727 -4.051 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.434 14.048 -5.207 1.00 0.00 N ATOM 0 H LYS A 49 -1.804 13.017 0.475 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.292 10.489 0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.180 10.854 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.820 11.969 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.573 13.787 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.420 12.752 -1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.531 11.957 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.243 13.453 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.152 14.650 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.702 13.138 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.891 14.571 -5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.796 13.166 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.232 14.631 -4.883 1.00 0.00 H new ATOM 768 N MET A 50 -1.997 9.580 -1.391 1.00 0.00 N ATOM 769 CA MET A 50 -0.974 8.880 -2.159 1.00 0.00 C ATOM 770 C MET A 50 -1.592 8.149 -3.346 1.00 0.00 C ATOM 771 O MET A 50 -2.664 7.552 -3.232 1.00 0.00 O ATOM 772 CB MET A 50 -0.226 7.888 -1.267 1.00 0.00 C ATOM 773 CG MET A 50 -1.075 7.324 -0.140 1.00 0.00 C ATOM 774 SD MET A 50 -0.344 5.858 0.614 1.00 0.00 S ATOM 775 CE MET A 50 -1.635 4.650 0.326 1.00 0.00 C ATOM 0 H MET A 50 -2.945 9.235 -1.539 1.00 0.00 H new ATOM 0 HA MET A 50 -0.269 9.620 -2.537 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.141 7.065 -1.881 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.647 8.382 -0.841 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.214 8.090 0.623 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.064 7.075 -0.525 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.302 3.672 0.673 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.534 4.941 0.870 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.856 4.601 -0.740 1.00 0.00 H new ATOM 785 N LEU A 51 -0.911 8.198 -4.486 1.00 0.00 N ATOM 786 CA LEU A 51 -1.393 7.540 -5.695 1.00 0.00 C ATOM 787 C LEU A 51 -1.091 6.046 -5.659 1.00 0.00 C ATOM 788 O LEU A 51 0.047 5.626 -5.874 1.00 0.00 O ATOM 789 CB LEU A 51 -0.754 8.172 -6.933 1.00 0.00 C ATOM 790 CG LEU A 51 -1.588 8.132 -8.214 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.728 8.471 -9.421 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.237 6.766 -8.385 1.00 0.00 C ATOM 0 H LEU A 51 -0.023 8.687 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.474 7.672 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.523 9.213 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.194 7.669 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.377 8.880 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.338 8.438 -10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.311 9.471 -9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.083 7.748 -9.505 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.827 6.756 -9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.463 6.000 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.886 6.563 -7.534 1.00 0.00 H new ATOM 804 N VAL A 52 -2.117 5.246 -5.387 1.00 0.00 N ATOM 805 CA VAL A 52 -1.962 3.797 -5.326 1.00 0.00 C ATOM 806 C VAL A 52 -2.637 3.122 -6.514 1.00 0.00 C ATOM 807 O VAL A 52 -3.723 3.522 -6.935 1.00 0.00 O ATOM 808 CB VAL A 52 -2.550 3.224 -4.022 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.034 3.541 -3.921 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.309 1.724 -3.944 1.00 0.00 C ATOM 0 H VAL A 52 -3.065 5.577 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.892 3.592 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.045 3.694 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.432 3.128 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.177 4.622 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.559 3.100 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.731 1.335 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.786 1.234 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.237 1.526 -3.966 1.00 0.00 H new ATOM 820 N HIS A 53 -1.987 2.095 -7.052 1.00 0.00 N ATOM 821 CA HIS A 53 -2.525 1.362 -8.193 1.00 0.00 C ATOM 822 C HIS A 53 -3.010 -0.021 -7.770 1.00 0.00 C ATOM 823 O HIS A 53 -2.307 -0.750 -7.069 1.00 0.00 O ATOM 824 CB HIS A 53 -1.465 1.231 -9.287 1.00 0.00 C ATOM 825 CG HIS A 53 -0.642 -0.016 -9.177 1.00 0.00 C ATOM 826 ND1 HIS A 53 -1.168 -1.281 -9.328 1.00 0.00 N ATOM 827 CD2 HIS A 53 0.678 -0.186 -8.932 1.00 0.00 C ATOM 828 CE1 HIS A 53 -0.208 -2.176 -9.179 1.00 0.00 C ATOM 829 NE2 HIS A 53 0.923 -1.537 -8.938 1.00 0.00 N ATOM 0 H HIS A 53 -1.087 1.751 -6.716 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.374 1.921 -8.585 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.955 1.248 -10.260 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.805 2.097 -9.247 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.404 0.596 -8.763 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.327 -3.247 -9.243 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.830 -1.976 -8.782 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.346 5.063 -8.553 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.255 5.909 -7.788 1.00 0.00 C ATOM 1007 C GLU A 63 -5.612 6.352 -6.477 1.00 0.00 C ATOM 1008 O GLU A 63 -4.955 5.563 -5.798 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.561 5.165 -7.503 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.461 5.876 -6.506 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.921 5.502 -6.668 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.519 5.875 -7.698 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.466 4.834 -5.764 1.00 0.00 O ATOM 0 HA GLU A 63 -6.473 6.796 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.104 5.030 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.327 4.170 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.138 5.634 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.350 6.954 -6.627 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.806 7.619 -6.128 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.245 8.167 -4.899 1.00 0.00 C ATOM 1022 C TRP A 64 -6.053 7.721 -3.685 1.00 0.00 C ATOM 1023 O TRP A 64 -7.279 7.831 -3.671 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.207 9.695 -4.968 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.223 10.220 -5.970 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.435 10.408 -7.306 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.873 10.622 -5.715 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.298 10.903 -7.897 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.325 11.044 -6.942 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.074 10.668 -4.569 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.016 11.504 -7.054 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.775 11.125 -4.682 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.256 11.539 -5.916 1.00 0.00 C ATOM 0 H TRP A 64 -6.347 8.285 -6.679 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.228 7.789 -4.794 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.201 10.065 -5.218 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.958 10.090 -3.983 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.360 10.198 -7.822 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.195 11.129 -8.886 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.465 10.352 -3.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.614 11.822 -8.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.148 11.164 -3.803 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.763 11.892 -5.970 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.359 7.218 -2.670 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.013 6.757 -1.452 1.00 0.00 C ATOM 1046 C ILE A 65 -5.346 7.345 -0.213 1.00 0.00 C ATOM 1047 O ILE A 65 -4.166 7.105 0.042 1.00 0.00 O ATOM 1048 CB ILE A 65 -5.995 5.220 -1.350 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.712 4.599 -2.550 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.639 4.768 -0.049 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.775 3.089 -2.502 1.00 0.00 C ATOM 0 H ILE A 65 -4.344 7.119 -2.667 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.047 7.098 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.959 4.882 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.726 4.995 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.203 4.904 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.619 3.680 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.089 5.186 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.672 5.114 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.297 2.718 -3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.764 2.683 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.310 2.775 -1.606 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.110 8.115 0.553 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.594 8.739 1.766 1.00 0.00 C ATOM 1065 C TYR A 66 -4.795 7.738 2.596 1.00 0.00 C ATOM 1066 O TYR A 66 -5.330 6.729 3.054 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.742 9.308 2.601 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.345 10.568 2.021 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.538 11.618 1.601 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.722 10.708 1.894 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.084 12.771 1.072 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.276 11.857 1.364 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.454 12.886 0.955 1.00 0.00 C ATOM 1074 OH TYR A 66 -9.003 14.032 0.428 1.00 0.00 O ATOM 0 H TYR A 66 -7.089 8.322 0.356 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.930 9.552 1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.521 8.552 2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.379 9.518 3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.465 11.531 1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.369 9.905 2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.442 13.578 0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.348 11.949 1.270 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.980 13.951 0.415 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.512 8.026 2.784 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.639 7.153 3.559 1.00 0.00 C ATOM 1086 C TRP A 67 -3.113 7.051 5.004 1.00 0.00 C ATOM 1087 O TRP A 67 -2.588 6.258 5.785 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.199 7.669 3.516 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.073 9.109 3.913 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.091 9.970 4.206 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.141 9.854 4.058 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.583 11.207 4.524 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.216 11.161 4.442 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.495 9.544 3.902 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.732 12.155 4.671 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.434 10.531 4.130 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.050 11.824 4.511 1.00 0.00 C ATOM 0 H TRP A 67 -3.054 8.857 2.410 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.675 6.158 3.115 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.583 7.061 4.179 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.805 7.541 2.508 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.141 9.717 4.190 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.134 12.026 4.780 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.801 8.551 3.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.437 13.152 4.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.483 10.302 4.013 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.809 12.573 4.682 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.108 7.859 5.353 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.654 7.859 6.706 1.00 0.00 C ATOM 1110 C ASP A 68 -6.068 7.286 6.721 1.00 0.00 C ATOM 1111 O ASP A 68 -6.835 7.523 7.654 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.660 9.278 7.277 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.350 9.357 8.624 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.975 8.583 9.530 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.265 10.193 8.773 1.00 0.00 O ATOM 0 H ASP A 68 -4.553 8.522 4.718 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.018 7.228 7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.633 9.631 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.160 9.946 6.576 1.00 0.00 H new ATOM 1120 N SER A 69 -6.406 6.530 5.681 1.00 0.00 N ATOM 1121 CA SER A 69 -7.729 5.927 5.572 1.00 0.00 C ATOM 1122 C SER A 69 -7.796 4.620 6.356 1.00 0.00 C ATOM 1123 O SER A 69 -8.877 4.151 6.710 1.00 0.00 O ATOM 1124 CB SER A 69 -8.078 5.673 4.104 1.00 0.00 C ATOM 1125 OG SER A 69 -9.479 5.726 3.896 1.00 0.00 O ATOM 0 H SER A 69 -5.782 6.321 4.902 1.00 0.00 H new ATOM 0 HA SER A 69 -8.454 6.622 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.586 6.416 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.699 4.697 3.800 1.00 0.00 H new ATOM 0 HG SER A 69 -9.663 5.883 2.946 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.632 4.037 6.624 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.558 2.784 7.366 1.00 0.00 C ATOM 1133 C ASN A 70 -7.237 1.655 6.596 1.00 0.00 C ATOM 1134 O ASN A 70 -7.717 0.688 7.188 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.208 2.942 8.741 1.00 0.00 C ATOM 1136 CG ASN A 70 -7.130 1.672 9.567 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -8.153 1.117 9.971 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.913 1.206 9.822 1.00 0.00 N ATOM 0 H ASN A 70 -5.728 4.412 6.338 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.506 2.529 7.497 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.719 3.753 9.280 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.253 3.227 8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.798 0.355 10.373 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.093 1.699 9.467 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.273 1.785 5.274 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.894 0.777 4.423 1.00 0.00 C ATOM 1147 C ARG A 71 -6.835 -0.042 3.690 1.00 0.00 C ATOM 1148 O ARG A 71 -7.129 -0.708 2.696 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.833 1.439 3.413 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.924 2.280 4.056 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.741 3.024 3.012 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.818 3.805 3.615 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.922 4.159 2.966 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -13.094 3.802 1.701 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.856 4.871 3.583 1.00 0.00 N ATOM 0 H ARG A 71 -6.879 2.579 4.769 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.472 0.106 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.247 2.069 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.296 0.666 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.580 1.639 4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.475 2.995 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.087 3.686 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.163 2.310 2.305 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.717 4.095 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.378 3.254 1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.942 4.075 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.727 5.147 4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.703 5.142 3.084 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.604 0.014 4.185 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.501 -0.722 3.576 1.00 0.00 C ATOM 1171 C LEU A 72 -3.886 -1.702 4.570 1.00 0.00 C ATOM 1172 O LEU A 72 -3.825 -1.429 5.769 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.431 0.248 3.072 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.939 1.587 2.534 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.906 2.679 2.758 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.283 1.471 1.056 1.00 0.00 C ATOM 0 H LEU A 72 -5.344 0.561 5.006 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.897 -1.288 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.736 0.447 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.864 -0.246 2.283 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.845 1.855 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.285 3.624 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.708 2.779 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.983 2.418 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.643 2.432 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.394 1.179 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.059 0.718 0.921 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.431 -2.843 4.064 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.820 -3.864 4.907 1.00 0.00 C ATOM 1190 C ARG A 73 -1.387 -4.147 4.466 1.00 0.00 C ATOM 1191 O ARG A 73 -1.021 -3.962 3.305 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.643 -5.153 4.862 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.141 -4.916 4.757 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.929 -6.167 5.113 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.769 -7.218 4.112 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.216 -8.459 4.271 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.847 -8.801 5.385 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -6.031 -9.359 3.314 1.00 0.00 N ATOM 0 H ARG A 73 -3.474 -3.084 3.074 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.800 -3.490 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.318 -5.752 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.438 -5.736 5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.429 -4.102 5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.391 -4.603 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.601 -6.538 6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.985 -5.915 5.209 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.288 -6.987 3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.990 -8.111 6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.189 -9.754 5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.545 -9.098 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.374 -10.312 3.437 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.556 -4.606 5.413 1.00 0.00 N ATOM 1213 CA PRO A 74 0.850 -4.925 5.146 1.00 0.00 C ATOM 1214 C PRO A 74 1.008 -6.162 4.269 1.00 0.00 C ATOM 1215 O PRO A 74 0.967 -7.292 4.759 1.00 0.00 O ATOM 1216 CB PRO A 74 1.426 -5.181 6.541 1.00 0.00 C ATOM 1217 CG PRO A 74 0.258 -5.603 7.362 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.925 -4.851 6.817 1.00 0.00 C ATOM 0 HA PRO A 74 1.353 -4.126 4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.193 -5.955 6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.892 -4.283 6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.101 -6.680 7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.417 -5.370 8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.843 -5.434 6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.092 -3.919 7.357 1.00 0.00 H new ATOM 1226 N LEU A 75 1.188 -5.943 2.972 1.00 0.00 N ATOM 1227 CA LEU A 75 1.352 -7.041 2.026 1.00 0.00 C ATOM 1228 C LEU A 75 2.538 -7.920 2.412 1.00 0.00 C ATOM 1229 O LEU A 75 3.544 -7.430 2.925 1.00 0.00 O ATOM 1230 CB LEU A 75 1.548 -6.496 0.610 1.00 0.00 C ATOM 1231 CG LEU A 75 1.891 -7.527 -0.465 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.624 -8.083 -1.096 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.792 -6.912 -1.527 1.00 0.00 C ATOM 0 H LEU A 75 1.224 -5.015 2.551 1.00 0.00 H new ATOM 0 HA LEU A 75 0.448 -7.649 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.636 -5.980 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.342 -5.750 0.636 1.00 0.00 H new ATOM 0 HG LEU A 75 2.428 -8.349 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.889 -8.815 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.015 -8.562 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.059 -7.271 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.026 -7.661 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.281 -6.070 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.715 -6.564 -1.064 1.00 0.00 H new