USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 33 TYR OH : rot -116:sc= -4.56! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -2.63! C(o=-7.2!,f=-7.7!) USER MOD Set 2.1: A 32 MET CE :methyl -148:sc= -5.56! (180deg=-7.3!) USER MOD Set 2.2: A 36 THR OG1 : rot -49:sc= 0.96 USER MOD Single : A 11 HIS : no HE2:sc= -0.164 X(o=-0.16,f=-0.33) USER MOD Single : A 12 LYS NZ :NH3+ -124:sc= -0.0393 (180deg=-1.1) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -135:sc= 1.38 (180deg=-0.394) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.0443 K(o=-0.044,f=-1.5!) USER MOD Single : A 37 MET CE :methyl 170:sc= 0 (180deg=-0.0687) USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.789) USER MOD Single : A 51 ASN : amide:sc= -2.6 X(o=-2.6,f=-2.4) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.472 K(o=-0.47,f=-1.3) USER MOD Single : A 74 TYR OH : rot -118:sc= 0.688 USER MOD Single : A 76 GLN : amide:sc= -0.0724 K(o=-0.072,f=-0.78) USER MOD Single : A 78 THR OG1 : rot -90:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -12.472 4.214 -0.890 1.00 0.00 N ATOM 79 CA VAL A 5 -11.285 3.620 -1.496 1.00 0.00 C ATOM 80 C VAL A 5 -11.020 2.225 -0.939 1.00 0.00 C ATOM 81 O VAL A 5 -10.407 1.389 -1.601 1.00 0.00 O ATOM 82 CB VAL A 5 -10.037 4.496 -1.271 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.886 4.020 -2.146 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.353 5.960 -1.540 1.00 0.00 C ATOM 0 HA VAL A 5 -11.481 3.550 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.734 4.402 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.013 4.650 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.643 2.987 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.177 4.081 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.459 6.561 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.684 6.077 -2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.142 6.292 -0.866 1.00 0.00 H new ATOM 94 N ALA A 6 -11.481 1.980 0.284 1.00 0.00 N ATOM 95 CA ALA A 6 -11.291 0.686 0.929 1.00 0.00 C ATOM 96 C ALA A 6 -11.891 -0.439 0.095 1.00 0.00 C ATOM 97 O ALA A 6 -11.297 -1.508 -0.048 1.00 0.00 O ATOM 98 CB ALA A 6 -11.901 0.696 2.323 1.00 0.00 C ATOM 0 H ALA A 6 -11.989 2.661 0.848 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.219 0.506 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.752 -0.276 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.420 1.467 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.969 0.904 2.252 1.00 0.00 H new ATOM 104 N ARG A 7 -13.074 -0.192 -0.455 1.00 0.00 N ATOM 105 CA ARG A 7 -13.759 -1.184 -1.276 1.00 0.00 C ATOM 106 C ARG A 7 -12.964 -1.481 -2.541 1.00 0.00 C ATOM 107 O ARG A 7 -12.635 -2.632 -2.830 1.00 0.00 O ATOM 108 CB ARG A 7 -15.161 -0.692 -1.642 1.00 0.00 C ATOM 109 CG ARG A 7 -16.171 -1.813 -1.822 1.00 0.00 C ATOM 110 CD ARG A 7 -17.588 -1.334 -1.543 1.00 0.00 C ATOM 111 NE ARG A 7 -18.586 -2.331 -1.922 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.836 -3.434 -1.220 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.160 -3.688 -0.105 1.00 0.00 N ATOM 114 NH2 ARG A 7 -19.762 -4.287 -1.634 1.00 0.00 N ATOM 0 H ARG A 7 -13.579 0.687 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.845 -2.104 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.515 -0.017 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.105 -0.113 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.110 -2.200 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.925 -2.637 -1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.691 -1.103 -0.483 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.773 -0.410 -2.090 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.123 -2.173 -2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.445 -3.036 0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.356 -4.535 0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.283 -4.098 -2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -19.954 -5.132 -1.096 1.00 0.00 H new ATOM 128 N GLU A 8 -12.654 -0.430 -3.287 1.00 0.00 N ATOM 129 CA GLU A 8 -11.894 -0.565 -4.522 1.00 0.00 C ATOM 130 C GLU A 8 -10.487 -1.081 -4.235 1.00 0.00 C ATOM 131 O GLU A 8 -9.887 -1.767 -5.061 1.00 0.00 O ATOM 132 CB GLU A 8 -11.818 0.779 -5.251 1.00 0.00 C ATOM 133 CG GLU A 8 -11.614 0.646 -6.751 1.00 0.00 C ATOM 134 CD GLU A 8 -10.870 1.828 -7.345 1.00 0.00 C ATOM 135 OE1 GLU A 8 -9.629 1.873 -7.217 1.00 0.00 O ATOM 136 OE2 GLU A 8 -11.530 2.706 -7.938 1.00 0.00 O ATOM 0 H GLU A 8 -12.918 0.528 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.406 -1.285 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.736 1.336 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.000 1.365 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.060 -0.269 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.584 0.549 -7.239 1.00 0.00 H new ATOM 143 N PHE A 9 -9.968 -0.741 -3.059 1.00 0.00 N ATOM 144 CA PHE A 9 -8.634 -1.166 -2.658 1.00 0.00 C ATOM 145 C PHE A 9 -8.536 -2.689 -2.613 1.00 0.00 C ATOM 146 O PHE A 9 -7.657 -3.282 -3.234 1.00 0.00 O ATOM 147 CB PHE A 9 -8.283 -0.576 -1.289 1.00 0.00 C ATOM 148 CG PHE A 9 -6.957 -1.033 -0.743 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.872 -1.222 -1.586 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.798 -1.271 0.612 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.653 -1.640 -1.084 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.582 -1.690 1.119 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.509 -1.875 0.270 1.00 0.00 C ATOM 0 H PHE A 9 -10.454 -0.171 -2.367 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.923 -0.800 -3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.277 0.511 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.067 -0.842 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.980 -1.041 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.634 -1.128 1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.815 -1.783 -1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.472 -1.872 2.178 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.558 -2.203 0.664 1.00 0.00 H new ATOM 163 N ARG A 10 -9.443 -3.314 -1.874 1.00 0.00 N ATOM 164 CA ARG A 10 -9.453 -4.768 -1.749 1.00 0.00 C ATOM 165 C ARG A 10 -9.724 -5.433 -3.095 1.00 0.00 C ATOM 166 O ARG A 10 -9.123 -6.455 -3.427 1.00 0.00 O ATOM 167 CB ARG A 10 -10.510 -5.204 -0.732 1.00 0.00 C ATOM 168 CG ARG A 10 -10.013 -5.189 0.705 1.00 0.00 C ATOM 169 CD ARG A 10 -11.083 -4.684 1.659 1.00 0.00 C ATOM 170 NE ARG A 10 -11.962 -5.758 2.115 1.00 0.00 N ATOM 171 CZ ARG A 10 -11.637 -6.627 3.070 1.00 0.00 C ATOM 172 NH1 ARG A 10 -10.456 -6.553 3.670 1.00 0.00 N ATOM 173 NH2 ARG A 10 -12.496 -7.572 3.425 1.00 0.00 N ATOM 0 H ARG A 10 -10.180 -2.840 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.469 -5.083 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.376 -4.547 -0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.848 -6.210 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.709 -6.194 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.129 -4.555 0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.608 -4.214 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.677 -3.916 1.164 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.878 -5.847 1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.792 -5.828 3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.213 -7.221 4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.405 -7.633 2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.248 -8.238 4.156 1.00 0.00 H new ATOM 187 N HIS A 11 -10.638 -4.849 -3.865 1.00 0.00 N ATOM 188 CA HIS A 11 -10.995 -5.389 -5.173 1.00 0.00 C ATOM 189 C HIS A 11 -9.819 -5.318 -6.145 1.00 0.00 C ATOM 190 O HIS A 11 -9.498 -6.300 -6.815 1.00 0.00 O ATOM 191 CB HIS A 11 -12.194 -4.632 -5.748 1.00 0.00 C ATOM 192 CG HIS A 11 -13.502 -5.324 -5.523 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.678 -6.680 -5.702 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.705 -4.841 -5.130 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.930 -7.000 -5.430 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.573 -5.903 -5.080 1.00 0.00 N ATOM 0 H HIS A 11 -11.144 -4.002 -3.606 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.261 -6.438 -5.040 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.236 -3.639 -5.300 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.046 -4.492 -6.819 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -12.954 -7.334 -5.998 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.938 -3.812 -4.899 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.355 -7.991 -5.485 1.00 0.00 H new ATOM 205 N LYS A 12 -9.189 -4.151 -6.228 1.00 0.00 N ATOM 206 CA LYS A 12 -8.058 -3.958 -7.130 1.00 0.00 C ATOM 207 C LYS A 12 -6.855 -4.797 -6.705 1.00 0.00 C ATOM 208 O LYS A 12 -6.242 -5.473 -7.528 1.00 0.00 O ATOM 209 CB LYS A 12 -7.672 -2.476 -7.198 1.00 0.00 C ATOM 210 CG LYS A 12 -7.023 -1.948 -5.927 1.00 0.00 C ATOM 211 CD LYS A 12 -6.723 -0.462 -6.033 1.00 0.00 C ATOM 212 CE LYS A 12 -5.410 -0.210 -6.756 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.602 -0.069 -8.226 1.00 0.00 N ATOM 0 H LYS A 12 -9.441 -3.326 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.366 -4.290 -8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.987 -2.327 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.565 -1.888 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.683 -2.128 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.100 -2.494 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.534 0.037 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.680 -0.026 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.947 0.695 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.723 -1.032 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.004 -0.760 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.600 -0.241 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.337 0.893 -8.520 1.00 0.00 H new ATOM 227 N VAL A 13 -6.518 -4.748 -5.418 1.00 0.00 N ATOM 228 CA VAL A 13 -5.383 -5.506 -4.897 1.00 0.00 C ATOM 229 C VAL A 13 -5.482 -6.982 -5.278 1.00 0.00 C ATOM 230 O VAL A 13 -4.526 -7.565 -5.789 1.00 0.00 O ATOM 231 CB VAL A 13 -5.279 -5.381 -3.362 1.00 0.00 C ATOM 232 CG1 VAL A 13 -4.156 -6.257 -2.818 1.00 0.00 C ATOM 233 CG2 VAL A 13 -5.063 -3.929 -2.961 1.00 0.00 C ATOM 0 H VAL A 13 -7.013 -4.194 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.486 -5.081 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.218 -5.727 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.104 -6.151 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.352 -7.299 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.208 -5.949 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.992 -3.858 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.141 -3.561 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.902 -3.327 -3.310 1.00 0.00 H new ATOM 243 N ASP A 14 -6.641 -7.579 -5.031 1.00 0.00 N ATOM 244 CA ASP A 14 -6.856 -8.986 -5.351 1.00 0.00 C ATOM 245 C ASP A 14 -6.842 -9.209 -6.860 1.00 0.00 C ATOM 246 O ASP A 14 -6.431 -10.265 -7.339 1.00 0.00 O ATOM 247 CB ASP A 14 -8.185 -9.468 -4.765 1.00 0.00 C ATOM 248 CG ASP A 14 -8.025 -10.058 -3.378 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.315 -11.077 -3.244 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.609 -9.501 -2.425 1.00 0.00 O ATOM 0 H ASP A 14 -7.445 -7.113 -4.611 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.043 -9.561 -4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.885 -8.633 -4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.621 -10.216 -5.427 1.00 0.00 H new ATOM 255 N PHE A 15 -7.300 -8.206 -7.604 1.00 0.00 N ATOM 256 CA PHE A 15 -7.346 -8.289 -9.059 1.00 0.00 C ATOM 257 C PHE A 15 -5.944 -8.285 -9.663 1.00 0.00 C ATOM 258 O PHE A 15 -5.611 -9.138 -10.485 1.00 0.00 O ATOM 259 CB PHE A 15 -8.160 -7.125 -9.628 1.00 0.00 C ATOM 260 CG PHE A 15 -8.459 -7.260 -11.094 1.00 0.00 C ATOM 261 CD1 PHE A 15 -8.975 -8.441 -11.604 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.223 -6.206 -11.961 1.00 0.00 C ATOM 263 CE1 PHE A 15 -9.252 -8.567 -12.951 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.498 -6.327 -13.311 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.013 -7.508 -13.806 1.00 0.00 C ATOM 0 H PHE A 15 -7.645 -7.325 -7.222 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.826 -9.231 -9.324 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.099 -7.047 -9.080 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.615 -6.196 -9.461 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.163 -9.272 -10.940 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.820 -5.280 -11.579 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.655 -9.492 -13.336 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.310 -5.498 -13.977 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.229 -7.604 -14.860 1.00 0.00 H new ATOM 275 N LEU A 16 -5.130 -7.315 -9.257 1.00 0.00 N ATOM 276 CA LEU A 16 -3.769 -7.197 -9.769 1.00 0.00 C ATOM 277 C LEU A 16 -2.825 -8.171 -9.071 1.00 0.00 C ATOM 278 O LEU A 16 -1.849 -8.633 -9.664 1.00 0.00 O ATOM 279 CB LEU A 16 -3.259 -5.765 -9.602 1.00 0.00 C ATOM 280 CG LEU A 16 -3.196 -5.262 -8.158 1.00 0.00 C ATOM 281 CD1 LEU A 16 -1.753 -5.033 -7.737 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.010 -3.987 -8.003 1.00 0.00 C ATOM 0 H LEU A 16 -5.389 -6.601 -8.576 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.791 -7.448 -10.830 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.262 -5.698 -10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.903 -5.098 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.626 -6.023 -7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.727 -4.675 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.200 -5.969 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.297 -4.290 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.954 -3.643 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.610 -3.218 -8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.050 -4.185 -8.264 1.00 0.00 H new ATOM 294 N ILE A 17 -3.117 -8.483 -7.813 1.00 0.00 N ATOM 295 CA ILE A 17 -2.286 -9.406 -7.048 1.00 0.00 C ATOM 296 C ILE A 17 -2.935 -10.781 -6.945 1.00 0.00 C ATOM 297 O ILE A 17 -2.515 -11.728 -7.610 1.00 0.00 O ATOM 298 CB ILE A 17 -1.998 -8.871 -5.630 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.537 -7.413 -5.695 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.951 -9.736 -4.941 1.00 0.00 C ATOM 301 CD1 ILE A 17 -1.160 -6.834 -4.348 1.00 0.00 C ATOM 0 H ILE A 17 -3.919 -8.112 -7.303 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.343 -9.496 -7.587 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.917 -8.914 -5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.680 -7.342 -6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.333 -6.809 -6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.758 -9.347 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.317 -10.760 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.028 -9.721 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.844 -5.798 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.022 -6.872 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.343 -7.414 -3.919 1.00 0.00 H new ATOM 313 N GLU A 18 -3.962 -10.884 -6.108 1.00 0.00 N ATOM 314 CA GLU A 18 -4.677 -12.143 -5.913 1.00 0.00 C ATOM 315 C GLU A 18 -3.857 -13.137 -5.085 1.00 0.00 C ATOM 316 O GLU A 18 -4.297 -14.261 -4.846 1.00 0.00 O ATOM 317 CB GLU A 18 -5.040 -12.768 -7.263 1.00 0.00 C ATOM 318 CG GLU A 18 -6.359 -13.524 -7.250 1.00 0.00 C ATOM 319 CD GLU A 18 -6.472 -14.520 -8.386 1.00 0.00 C ATOM 320 OE1 GLU A 18 -6.884 -14.114 -9.493 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.149 -15.708 -8.170 1.00 0.00 O ATOM 0 H GLU A 18 -4.320 -10.108 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.590 -11.917 -5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.089 -11.982 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.244 -13.449 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.463 -14.049 -6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.182 -12.812 -7.313 1.00 0.00 H new ATOM 328 N ASN A 19 -2.668 -12.723 -4.650 1.00 0.00 N ATOM 329 CA ASN A 19 -1.805 -13.588 -3.857 1.00 0.00 C ATOM 330 C ASN A 19 -1.940 -13.277 -2.370 1.00 0.00 C ATOM 331 O ASN A 19 -1.692 -12.153 -1.935 1.00 0.00 O ATOM 332 CB ASN A 19 -0.347 -13.427 -4.295 1.00 0.00 C ATOM 333 CG ASN A 19 0.129 -14.582 -5.156 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.056 -14.581 -6.371 1.00 0.00 O ATOM 335 ND2 ASN A 19 0.744 -15.575 -4.525 1.00 0.00 N ATOM 0 H ASN A 19 -2.284 -11.796 -4.834 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.115 -14.620 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.238 -12.495 -4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.288 -13.349 -3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.085 -16.380 -5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.876 -15.533 -3.514 1.00 0.00 H new ATOM 342 N ASP A 20 -2.335 -14.282 -1.594 1.00 0.00 N ATOM 343 CA ASP A 20 -2.502 -14.117 -0.156 1.00 0.00 C ATOM 344 C ASP A 20 -1.168 -13.804 0.514 1.00 0.00 C ATOM 345 O ASP A 20 -1.114 -13.074 1.503 1.00 0.00 O ATOM 346 CB ASP A 20 -3.108 -15.382 0.456 1.00 0.00 C ATOM 347 CG ASP A 20 -4.623 -15.326 0.512 1.00 0.00 C ATOM 348 OD1 ASP A 20 -5.237 -14.860 -0.471 1.00 0.00 O ATOM 349 OD2 ASP A 20 -5.195 -15.750 1.539 1.00 0.00 O ATOM 0 H ASP A 20 -2.545 -15.219 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.179 -13.279 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.800 -16.249 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.714 -15.520 1.463 1.00 0.00 H new ATOM 354 N ALA A 21 -0.092 -14.363 -0.031 1.00 0.00 N ATOM 355 CA ALA A 21 1.242 -14.145 0.514 1.00 0.00 C ATOM 356 C ALA A 21 1.659 -12.686 0.372 1.00 0.00 C ATOM 357 O ALA A 21 2.195 -12.088 1.305 1.00 0.00 O ATOM 358 CB ALA A 21 2.249 -15.053 -0.176 1.00 0.00 C ATOM 0 H ALA A 21 -0.119 -14.970 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 21 1.219 -14.388 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.241 -14.879 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.967 -16.094 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.262 -14.837 -1.244 1.00 0.00 H new ATOM 364 N GLU A 22 1.405 -12.121 -0.801 1.00 0.00 N ATOM 365 CA GLU A 22 1.750 -10.730 -1.070 1.00 0.00 C ATOM 366 C GLU A 22 0.929 -9.790 -0.196 1.00 0.00 C ATOM 367 O GLU A 22 1.418 -8.751 0.248 1.00 0.00 O ATOM 368 CB GLU A 22 1.524 -10.404 -2.548 1.00 0.00 C ATOM 369 CG GLU A 22 2.769 -10.565 -3.403 1.00 0.00 C ATOM 370 CD GLU A 22 2.492 -11.293 -4.706 1.00 0.00 C ATOM 371 OE1 GLU A 22 1.443 -11.022 -5.325 1.00 0.00 O ATOM 372 OE2 GLU A 22 3.326 -12.134 -5.104 1.00 0.00 O ATOM 0 H GLU A 22 0.961 -12.604 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 22 2.804 -10.588 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.739 -11.052 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.164 -9.379 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.185 -9.581 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.524 -11.112 -2.839 1.00 0.00 H new ATOM 379 N LYS A 23 -0.321 -10.165 0.054 1.00 0.00 N ATOM 380 CA LYS A 23 -1.211 -9.358 0.880 1.00 0.00 C ATOM 381 C LYS A 23 -0.724 -9.330 2.324 1.00 0.00 C ATOM 382 O LYS A 23 -0.850 -8.319 3.013 1.00 0.00 O ATOM 383 CB LYS A 23 -2.637 -9.905 0.820 1.00 0.00 C ATOM 384 CG LYS A 23 -3.262 -9.829 -0.564 1.00 0.00 C ATOM 385 CD LYS A 23 -4.519 -10.680 -0.653 1.00 0.00 C ATOM 386 CE LYS A 23 -4.713 -11.242 -2.052 1.00 0.00 C ATOM 387 NZ LYS A 23 -5.509 -12.500 -2.039 1.00 0.00 N ATOM 0 H LYS A 23 -0.741 -11.023 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.208 -8.340 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.633 -10.944 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.260 -9.350 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.505 -8.793 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.541 -10.164 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.457 -11.499 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.386 -10.080 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.215 -10.501 -2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.740 -11.433 -2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.058 -13.203 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.554 -12.872 -1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.472 -12.305 -2.380 1.00 0.00 H new ATOM 401 N ASP A 24 -0.163 -10.446 2.775 1.00 0.00 N ATOM 402 CA ASP A 24 0.350 -10.543 4.135 1.00 0.00 C ATOM 403 C ASP A 24 1.638 -9.741 4.275 1.00 0.00 C ATOM 404 O ASP A 24 1.917 -9.171 5.331 1.00 0.00 O ATOM 405 CB ASP A 24 0.600 -12.006 4.509 1.00 0.00 C ATOM 406 CG ASP A 24 0.699 -12.211 6.008 1.00 0.00 C ATOM 407 OD1 ASP A 24 0.026 -11.470 6.754 1.00 0.00 O ATOM 408 OD2 ASP A 24 1.448 -13.114 6.435 1.00 0.00 O ATOM 0 H ASP A 24 -0.052 -11.294 2.220 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.396 -10.130 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.207 -12.622 4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.522 -12.346 4.037 1.00 0.00 H new ATOM 413 N TYR A 25 2.416 -9.699 3.199 1.00 0.00 N ATOM 414 CA TYR A 25 3.674 -8.963 3.192 1.00 0.00 C ATOM 415 C TYR A 25 3.417 -7.462 3.264 1.00 0.00 C ATOM 416 O TYR A 25 4.003 -6.760 4.089 1.00 0.00 O ATOM 417 CB TYR A 25 4.475 -9.300 1.932 1.00 0.00 C ATOM 418 CG TYR A 25 5.934 -9.591 2.201 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.312 -10.544 3.139 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.935 -8.915 1.515 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.644 -10.813 3.386 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.269 -9.178 1.756 1.00 0.00 C ATOM 423 CZ TYR A 25 8.618 -10.128 2.692 1.00 0.00 C ATOM 424 OH TYR A 25 9.947 -10.394 2.934 1.00 0.00 O ATOM 0 H TYR A 25 2.197 -10.167 2.319 1.00 0.00 H new ATOM 0 HA TYR A 25 4.252 -9.258 4.068 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.024 -10.165 1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.402 -8.468 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.551 -11.083 3.684 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.665 -8.171 0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.921 -11.556 4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.035 -8.642 1.214 1.00 0.00 H new ATOM 0 HH TYR A 25 10.504 -9.826 2.361 1.00 0.00 H new ATOM 434 N LEU A 26 2.535 -6.976 2.396 1.00 0.00 N ATOM 435 CA LEU A 26 2.198 -5.558 2.364 1.00 0.00 C ATOM 436 C LEU A 26 1.531 -5.133 3.669 1.00 0.00 C ATOM 437 O LEU A 26 1.724 -4.012 4.142 1.00 0.00 O ATOM 438 CB LEU A 26 1.283 -5.251 1.172 1.00 0.00 C ATOM 439 CG LEU A 26 -0.190 -5.617 1.363 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.930 -4.492 2.071 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.842 -5.924 0.022 1.00 0.00 C ATOM 0 H LEU A 26 2.042 -7.543 1.706 1.00 0.00 H new ATOM 0 HA LEU A 26 3.121 -4.990 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.349 -4.186 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.662 -5.783 0.299 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.245 -6.511 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.976 -4.769 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.479 -4.318 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.866 -3.582 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.889 -6.182 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.776 -5.048 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.328 -6.762 -0.449 1.00 0.00 H new ATOM 453 N TYR A 27 0.750 -6.040 4.248 1.00 0.00 N ATOM 454 CA TYR A 27 0.059 -5.761 5.501 1.00 0.00 C ATOM 455 C TYR A 27 1.056 -5.635 6.647 1.00 0.00 C ATOM 456 O TYR A 27 0.871 -4.833 7.562 1.00 0.00 O ATOM 457 CB TYR A 27 -0.956 -6.866 5.807 1.00 0.00 C ATOM 458 CG TYR A 27 -2.392 -6.443 5.597 1.00 0.00 C ATOM 459 CD1 TYR A 27 -2.870 -6.148 4.327 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.269 -6.339 6.670 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.182 -5.761 4.131 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.582 -5.952 6.482 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.034 -5.664 5.212 1.00 0.00 C ATOM 464 OH TYR A 27 -6.341 -5.279 5.022 1.00 0.00 O ATOM 0 H TYR A 27 0.580 -6.972 3.870 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.471 -4.815 5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.744 -7.728 5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.828 -7.189 6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.206 -6.222 3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.919 -6.564 7.666 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.539 -5.536 3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.251 -5.875 7.326 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.806 -5.262 5.885 1.00 0.00 H new ATOM 474 N ASP A 28 2.121 -6.429 6.585 1.00 0.00 N ATOM 475 CA ASP A 28 3.153 -6.404 7.612 1.00 0.00 C ATOM 476 C ASP A 28 3.916 -5.085 7.574 1.00 0.00 C ATOM 477 O ASP A 28 4.213 -4.497 8.614 1.00 0.00 O ATOM 478 CB ASP A 28 4.121 -7.575 7.422 1.00 0.00 C ATOM 479 CG ASP A 28 4.722 -8.047 8.732 1.00 0.00 C ATOM 480 OD1 ASP A 28 5.773 -7.504 9.133 1.00 0.00 O ATOM 481 OD2 ASP A 28 4.141 -8.959 9.357 1.00 0.00 O ATOM 0 H ASP A 28 2.290 -7.097 5.833 1.00 0.00 H new ATOM 0 HA ASP A 28 2.670 -6.499 8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.596 -8.404 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.921 -7.275 6.745 1.00 0.00 H new ATOM 486 N VAL A 29 4.229 -4.624 6.368 1.00 0.00 N ATOM 487 CA VAL A 29 4.953 -3.371 6.193 1.00 0.00 C ATOM 488 C VAL A 29 4.163 -2.203 6.768 1.00 0.00 C ATOM 489 O VAL A 29 4.700 -1.385 7.516 1.00 0.00 O ATOM 490 CB VAL A 29 5.250 -3.094 4.706 1.00 0.00 C ATOM 491 CG1 VAL A 29 6.180 -1.900 4.560 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.842 -4.327 4.040 1.00 0.00 C ATOM 0 H VAL A 29 3.993 -5.100 5.497 1.00 0.00 H new ATOM 0 HA VAL A 29 5.897 -3.471 6.729 1.00 0.00 H new ATOM 0 HB VAL A 29 4.311 -2.856 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.378 -1.720 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.711 -1.018 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.118 -2.105 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.045 -4.112 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.771 -4.600 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.135 -5.154 4.111 1.00 0.00 H new ATOM 502 N LEU A 30 2.883 -2.131 6.417 1.00 0.00 N ATOM 503 CA LEU A 30 2.017 -1.065 6.903 1.00 0.00 C ATOM 504 C LEU A 30 1.821 -1.171 8.412 1.00 0.00 C ATOM 505 O LEU A 30 1.824 -0.166 9.123 1.00 0.00 O ATOM 506 CB LEU A 30 0.660 -1.117 6.196 1.00 0.00 C ATOM 507 CG LEU A 30 0.619 -0.445 4.823 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.303 -1.207 3.883 1.00 0.00 C ATOM 509 CD2 LEU A 30 0.169 1.003 4.955 1.00 0.00 C ATOM 0 H LEU A 30 2.423 -2.799 5.798 1.00 0.00 H new ATOM 0 HA LEU A 30 2.497 -0.112 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.367 -2.161 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.085 -0.645 6.837 1.00 0.00 H new ATOM 0 HG LEU A 30 1.624 -0.458 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.320 -0.714 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.060 -2.228 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.311 -1.225 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.145 1.468 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.827 1.036 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.867 1.544 5.594 1.00 0.00 H new ATOM 521 N ARG A 31 1.655 -2.400 8.897 1.00 0.00 N ATOM 522 CA ARG A 31 1.461 -2.641 10.323 1.00 0.00 C ATOM 523 C ARG A 31 2.613 -2.060 11.133 1.00 0.00 C ATOM 524 O ARG A 31 2.405 -1.455 12.186 1.00 0.00 O ATOM 525 CB ARG A 31 1.334 -4.141 10.595 1.00 0.00 C ATOM 526 CG ARG A 31 0.873 -4.466 12.007 1.00 0.00 C ATOM 527 CD ARG A 31 -0.576 -4.925 12.029 1.00 0.00 C ATOM 528 NE ARG A 31 -0.968 -5.438 13.340 1.00 0.00 N ATOM 529 CZ ARG A 31 -0.607 -6.631 13.809 1.00 0.00 C ATOM 530 NH1 ARG A 31 0.150 -7.437 13.076 1.00 0.00 N ATOM 531 NH2 ARG A 31 -1.005 -7.019 15.012 1.00 0.00 N ATOM 0 H ARG A 31 1.651 -3.243 8.323 1.00 0.00 H new ATOM 0 HA ARG A 31 0.540 -2.145 10.629 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.630 -4.573 9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.298 -4.617 10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.509 -5.245 12.428 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.986 -3.586 12.639 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.224 -4.092 11.757 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.722 -5.701 11.278 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.553 -4.847 13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.458 -7.144 12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.424 -8.350 13.440 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.588 -6.404 15.579 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.728 -7.933 15.371 1.00 0.00 H new ATOM 545 N MET A 32 3.828 -2.244 10.632 1.00 0.00 N ATOM 546 CA MET A 32 5.018 -1.736 11.300 1.00 0.00 C ATOM 547 C MET A 32 5.249 -0.268 10.953 1.00 0.00 C ATOM 548 O MET A 32 5.821 0.486 11.739 1.00 0.00 O ATOM 549 CB MET A 32 6.244 -2.566 10.913 1.00 0.00 C ATOM 550 CG MET A 32 6.599 -2.477 9.438 1.00 0.00 C ATOM 551 SD MET A 32 8.363 -2.699 9.135 1.00 0.00 S ATOM 552 CE MET A 32 9.049 -1.415 10.176 1.00 0.00 C ATOM 0 H MET A 32 4.015 -2.743 9.762 1.00 0.00 H new ATOM 0 HA MET A 32 4.863 -1.817 12.376 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.098 -2.235 11.504 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.063 -3.609 11.172 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.041 -3.235 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.287 -1.507 9.051 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.965 -1.032 9.726 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.328 -0.604 10.277 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.273 -1.826 11.161 1.00 0.00 H new ATOM 562 N TYR A 33 4.795 0.131 9.768 1.00 0.00 N ATOM 563 CA TYR A 33 4.947 1.508 9.313 1.00 0.00 C ATOM 564 C TYR A 33 4.247 2.472 10.265 1.00 0.00 C ATOM 565 O TYR A 33 4.708 3.591 10.481 1.00 0.00 O ATOM 566 CB TYR A 33 4.382 1.662 7.899 1.00 0.00 C ATOM 567 CG TYR A 33 4.442 3.078 7.369 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.568 3.867 7.565 1.00 0.00 C ATOM 569 CD2 TYR A 33 3.369 3.624 6.673 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.624 5.161 7.081 1.00 0.00 C ATOM 571 CE2 TYR A 33 3.419 4.915 6.186 1.00 0.00 C ATOM 572 CZ TYR A 33 4.548 5.680 6.392 1.00 0.00 C ATOM 573 OH TYR A 33 4.601 6.967 5.910 1.00 0.00 O ATOM 0 H TYR A 33 4.319 -0.481 9.106 1.00 0.00 H new ATOM 0 HA TYR A 33 6.010 1.749 9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.934 1.008 7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.345 1.325 7.893 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.413 3.464 8.104 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.483 3.029 6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.506 5.763 7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.578 5.324 5.646 1.00 0.00 H new ATOM 0 HH TYR A 33 3.924 7.513 6.361 1.00 0.00 H new ATOM 583 N HIS A 34 3.129 2.028 10.830 1.00 0.00 N ATOM 584 CA HIS A 34 2.365 2.850 11.759 1.00 0.00 C ATOM 585 C HIS A 34 3.171 3.135 13.023 1.00 0.00 C ATOM 586 O HIS A 34 3.262 4.280 13.469 1.00 0.00 O ATOM 587 CB HIS A 34 1.049 2.157 12.120 1.00 0.00 C ATOM 588 CG HIS A 34 -0.160 3.008 11.876 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.054 2.769 10.854 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.624 4.100 12.530 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.013 3.678 10.887 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.774 4.496 11.897 1.00 0.00 N ATOM 0 H HIS A 34 2.733 1.104 10.660 1.00 0.00 H new ATOM 0 HA HIS A 34 2.145 3.800 11.271 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.960 1.238 11.540 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.075 1.869 13.171 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.172 4.571 13.390 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.848 3.741 10.206 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.352 5.293 12.163 1.00 0.00 H new ATOM 601 N GLN A 35 3.756 2.087 13.594 1.00 0.00 N ATOM 602 CA GLN A 35 4.554 2.224 14.807 1.00 0.00 C ATOM 603 C GLN A 35 5.909 2.853 14.502 1.00 0.00 C ATOM 604 O GLN A 35 6.288 3.860 15.099 1.00 0.00 O ATOM 605 CB GLN A 35 4.751 0.859 15.469 1.00 0.00 C ATOM 606 CG GLN A 35 3.673 0.514 16.485 1.00 0.00 C ATOM 607 CD GLN A 35 3.713 -0.942 16.905 1.00 0.00 C ATOM 608 OE1 GLN A 35 4.309 -1.781 16.226 1.00 0.00 O ATOM 609 NE2 GLN A 35 3.077 -1.252 18.028 1.00 0.00 N ATOM 0 H GLN A 35 3.692 1.134 13.236 1.00 0.00 H new ATOM 0 HA GLN A 35 4.016 2.880 15.492 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.771 0.090 14.697 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.723 0.841 15.962 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.793 1.146 17.365 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.694 0.740 16.062 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.596 -0.526 18.559 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.069 -2.216 18.360 1.00 0.00 H new ATOM 618 N THR A 36 6.633 2.247 13.571 1.00 0.00 N ATOM 619 CA THR A 36 7.948 2.738 13.181 1.00 0.00 C ATOM 620 C THR A 36 7.855 4.134 12.572 1.00 0.00 C ATOM 621 O THR A 36 8.718 4.980 12.799 1.00 0.00 O ATOM 622 CB THR A 36 8.599 1.778 12.185 1.00 0.00 C ATOM 623 OG1 THR A 36 7.853 1.721 10.983 1.00 0.00 O ATOM 624 CG2 THR A 36 8.727 0.365 12.713 1.00 0.00 C ATOM 0 H THR A 36 6.331 1.412 13.070 1.00 0.00 H new ATOM 0 HA THR A 36 8.564 2.795 14.078 1.00 0.00 H new ATOM 0 HB THR A 36 9.599 2.176 12.011 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.906 1.582 11.192 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.197 -0.265 11.957 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.339 0.368 13.615 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.737 -0.027 12.948 1.00 0.00 H new ATOM 632 N MET A 37 6.800 4.366 11.797 1.00 0.00 N ATOM 633 CA MET A 37 6.594 5.659 11.154 1.00 0.00 C ATOM 634 C MET A 37 7.737 5.980 10.197 1.00 0.00 C ATOM 635 O MET A 37 8.125 7.138 10.043 1.00 0.00 O ATOM 636 CB MET A 37 6.472 6.762 12.207 1.00 0.00 C ATOM 637 CG MET A 37 5.055 6.957 12.722 1.00 0.00 C ATOM 638 SD MET A 37 3.929 7.555 11.447 1.00 0.00 S ATOM 639 CE MET A 37 2.351 7.367 12.275 1.00 0.00 C ATOM 0 H MET A 37 6.075 3.676 11.599 1.00 0.00 H new ATOM 0 HA MET A 37 5.668 5.608 10.581 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.126 6.525 13.047 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.827 7.700 11.781 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.682 6.011 13.116 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.068 7.665 13.551 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.572 7.856 11.690 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.117 6.307 12.376 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.402 7.823 13.264 1.00 0.00 H new ATOM 649 N ASP A 38 8.271 4.946 9.553 1.00 0.00 N ATOM 650 CA ASP A 38 9.369 5.119 8.608 1.00 0.00 C ATOM 651 C ASP A 38 8.876 4.988 7.171 1.00 0.00 C ATOM 652 O ASP A 38 8.656 3.882 6.679 1.00 0.00 O ATOM 653 CB ASP A 38 10.468 4.089 8.879 1.00 0.00 C ATOM 654 CG ASP A 38 11.858 4.664 8.684 1.00 0.00 C ATOM 655 OD1 ASP A 38 12.142 5.166 7.575 1.00 0.00 O ATOM 656 OD2 ASP A 38 12.662 4.611 9.637 1.00 0.00 O ATOM 0 H ASP A 38 7.961 3.981 9.668 1.00 0.00 H new ATOM 0 HA ASP A 38 9.777 6.121 8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.371 3.718 9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.334 3.235 8.215 1.00 0.00 H new ATOM 661 N VAL A 39 8.705 6.124 6.504 1.00 0.00 N ATOM 662 CA VAL A 39 8.237 6.137 5.122 1.00 0.00 C ATOM 663 C VAL A 39 9.255 5.486 4.192 1.00 0.00 C ATOM 664 O VAL A 39 8.892 4.747 3.277 1.00 0.00 O ATOM 665 CB VAL A 39 7.959 7.571 4.635 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.300 7.553 3.264 1.00 0.00 C ATOM 667 CG2 VAL A 39 7.098 8.322 5.641 1.00 0.00 C ATOM 0 H VAL A 39 8.883 7.048 6.897 1.00 0.00 H new ATOM 0 HA VAL A 39 7.308 5.567 5.098 1.00 0.00 H new ATOM 0 HB VAL A 39 8.911 8.094 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.112 8.576 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.959 7.060 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.356 7.011 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.913 9.333 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.148 7.802 5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.615 8.369 6.599 1.00 0.00 H new ATOM 677 N ALA A 40 10.532 5.767 4.431 1.00 0.00 N ATOM 678 CA ALA A 40 11.603 5.211 3.613 1.00 0.00 C ATOM 679 C ALA A 40 11.597 3.687 3.657 1.00 0.00 C ATOM 680 O ALA A 40 11.871 3.026 2.657 1.00 0.00 O ATOM 681 CB ALA A 40 12.950 5.748 4.074 1.00 0.00 C ATOM 0 H ALA A 40 10.850 6.376 5.185 1.00 0.00 H new ATOM 0 HA ALA A 40 11.433 5.518 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.741 5.325 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.959 6.834 3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.116 5.470 5.115 1.00 0.00 H new ATOM 687 N VAL A 41 11.281 3.134 4.825 1.00 0.00 N ATOM 688 CA VAL A 41 11.240 1.688 4.999 1.00 0.00 C ATOM 689 C VAL A 41 10.016 1.088 4.319 1.00 0.00 C ATOM 690 O VAL A 41 10.103 0.054 3.654 1.00 0.00 O ATOM 691 CB VAL A 41 11.226 1.300 6.491 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.352 -0.206 6.653 1.00 0.00 C ATOM 693 CG2 VAL A 41 12.341 2.018 7.238 1.00 0.00 C ATOM 0 H VAL A 41 11.050 3.667 5.664 1.00 0.00 H new ATOM 0 HA VAL A 41 12.143 1.289 4.536 1.00 0.00 H new ATOM 0 HB VAL A 41 10.273 1.609 6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.340 -0.460 7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.517 -0.697 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.289 -0.542 6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.317 1.733 8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.304 1.741 6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.202 3.096 7.151 1.00 0.00 H new ATOM 703 N LEU A 42 8.875 1.743 4.490 1.00 0.00 N ATOM 704 CA LEU A 42 7.627 1.278 3.894 1.00 0.00 C ATOM 705 C LEU A 42 7.737 1.234 2.373 1.00 0.00 C ATOM 706 O LEU A 42 7.324 0.264 1.738 1.00 0.00 O ATOM 707 CB LEU A 42 6.469 2.187 4.307 1.00 0.00 C ATOM 708 CG LEU A 42 5.113 1.828 3.695 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.322 0.937 4.639 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.327 3.088 3.360 1.00 0.00 C ATOM 0 H LEU A 42 8.787 2.599 5.037 1.00 0.00 H new ATOM 0 HA LEU A 42 7.433 0.269 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.378 2.163 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.715 3.212 4.030 1.00 0.00 H new ATOM 0 HG LEU A 42 5.287 1.278 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.361 0.692 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.880 0.019 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.158 1.460 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.366 2.813 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.162 3.666 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.889 3.688 2.645 1.00 0.00 H new ATOM 722 N VAL A 43 8.294 2.293 1.795 1.00 0.00 N ATOM 723 CA VAL A 43 8.457 2.376 0.349 1.00 0.00 C ATOM 724 C VAL A 43 9.454 1.338 -0.151 1.00 0.00 C ATOM 725 O VAL A 43 9.246 0.717 -1.194 1.00 0.00 O ATOM 726 CB VAL A 43 8.931 3.777 -0.083 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.942 3.895 -1.600 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.052 4.855 0.535 1.00 0.00 C ATOM 0 H VAL A 43 8.640 3.105 2.306 1.00 0.00 H new ATOM 0 HA VAL A 43 7.480 2.179 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 43 9.950 3.920 0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.280 4.891 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.618 3.149 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.936 3.729 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.403 5.837 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.021 4.715 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.101 4.786 1.622 1.00 0.00 H new ATOM 738 N GLY A 44 10.537 1.154 0.596 1.00 0.00 N ATOM 739 CA GLY A 44 11.552 0.190 0.211 1.00 0.00 C ATOM 740 C GLY A 44 10.987 -1.204 0.013 1.00 0.00 C ATOM 741 O GLY A 44 11.060 -1.760 -1.084 1.00 0.00 O ATOM 0 H GLY A 44 10.731 1.656 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.029 0.519 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.327 0.159 0.977 1.00 0.00 H new ATOM 745 N ASP A 45 10.424 -1.770 1.076 1.00 0.00 N ATOM 746 CA ASP A 45 9.845 -3.108 1.011 1.00 0.00 C ATOM 747 C ASP A 45 8.731 -3.169 -0.028 1.00 0.00 C ATOM 748 O ASP A 45 8.678 -4.089 -0.844 1.00 0.00 O ATOM 749 CB ASP A 45 9.302 -3.518 2.381 1.00 0.00 C ATOM 750 CG ASP A 45 9.174 -5.021 2.526 1.00 0.00 C ATOM 751 OD1 ASP A 45 8.981 -5.702 1.497 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.267 -5.519 3.668 1.00 0.00 O ATOM 0 H ASP A 45 10.356 -1.324 1.991 1.00 0.00 H new ATOM 0 HA ASP A 45 10.631 -3.803 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.962 -3.136 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.327 -3.057 2.535 1.00 0.00 H new ATOM 757 N LEU A 46 7.840 -2.183 0.009 1.00 0.00 N ATOM 758 CA LEU A 46 6.725 -2.123 -0.929 1.00 0.00 C ATOM 759 C LEU A 46 7.221 -2.106 -2.371 1.00 0.00 C ATOM 760 O LEU A 46 6.541 -2.583 -3.277 1.00 0.00 O ATOM 761 CB LEU A 46 5.868 -0.885 -0.657 1.00 0.00 C ATOM 762 CG LEU A 46 4.827 -1.048 0.452 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.176 0.289 0.774 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.776 -2.072 0.052 1.00 0.00 C ATOM 0 H LEU A 46 7.869 -1.414 0.679 1.00 0.00 H new ATOM 0 HA LEU A 46 6.117 -3.017 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.527 -0.056 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.355 -0.608 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 46 5.333 -1.408 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.438 0.153 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.938 0.994 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.685 0.678 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.044 -2.174 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.274 -1.742 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.255 -3.035 -0.127 1.00 0.00 H new ATOM 776 N LYS A 47 8.414 -1.556 -2.579 1.00 0.00 N ATOM 777 CA LYS A 47 8.995 -1.482 -3.914 1.00 0.00 C ATOM 778 C LYS A 47 9.482 -2.854 -4.370 1.00 0.00 C ATOM 779 O LYS A 47 9.251 -3.260 -5.510 1.00 0.00 O ATOM 780 CB LYS A 47 10.155 -0.484 -3.935 1.00 0.00 C ATOM 781 CG LYS A 47 10.445 0.081 -5.318 1.00 0.00 C ATOM 782 CD LYS A 47 10.500 1.602 -5.302 1.00 0.00 C ATOM 783 CE LYS A 47 11.841 2.105 -4.793 1.00 0.00 C ATOM 784 NZ LYS A 47 11.694 3.324 -3.950 1.00 0.00 N ATOM 0 H LYS A 47 8.995 -1.156 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 47 8.221 -1.142 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.929 0.338 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.052 -0.974 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.394 -0.314 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.675 -0.248 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.325 1.984 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.701 1.990 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.327 1.320 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.491 2.326 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.547 3.913 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.864 3.866 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.568 3.046 -2.956 1.00 0.00 H new ATOM 798 N LEU A 48 10.156 -3.565 -3.473 1.00 0.00 N ATOM 799 CA LEU A 48 10.676 -4.891 -3.782 1.00 0.00 C ATOM 800 C LEU A 48 9.552 -5.846 -4.171 1.00 0.00 C ATOM 801 O LEU A 48 9.723 -6.697 -5.044 1.00 0.00 O ATOM 802 CB LEU A 48 11.443 -5.452 -2.583 1.00 0.00 C ATOM 803 CG LEU A 48 12.544 -4.542 -2.034 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.808 -4.844 -0.566 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.818 -4.701 -2.851 1.00 0.00 C ATOM 0 H LEU A 48 10.355 -3.245 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 48 11.354 -4.796 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.733 -5.661 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.889 -6.404 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 48 12.209 -3.508 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.594 -4.186 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.896 -4.680 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.123 -5.882 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.592 -4.048 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.155 -5.736 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.620 -4.433 -3.889 1.00 0.00 H new ATOM 817 N VAL A 49 8.405 -5.702 -3.516 1.00 0.00 N ATOM 818 CA VAL A 49 7.256 -6.558 -3.793 1.00 0.00 C ATOM 819 C VAL A 49 6.406 -5.990 -4.927 1.00 0.00 C ATOM 820 O VAL A 49 5.997 -6.714 -5.834 1.00 0.00 O ATOM 821 CB VAL A 49 6.388 -6.755 -2.527 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.358 -5.645 -2.364 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.712 -8.118 -2.550 1.00 0.00 C ATOM 0 H VAL A 49 8.246 -5.002 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 49 7.642 -7.529 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 49 7.053 -6.708 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.771 -5.823 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.868 -4.685 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.697 -5.632 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.106 -8.239 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.074 -8.193 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.471 -8.900 -2.584 1.00 0.00 H new ATOM 833 N ILE A 50 6.145 -4.691 -4.864 1.00 0.00 N ATOM 834 CA ILE A 50 5.342 -4.018 -5.883 1.00 0.00 C ATOM 835 C ILE A 50 6.198 -3.559 -7.067 1.00 0.00 C ATOM 836 O ILE A 50 5.734 -2.797 -7.916 1.00 0.00 O ATOM 837 CB ILE A 50 4.596 -2.798 -5.300 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.843 -3.191 -4.028 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.638 -2.215 -6.331 1.00 0.00 C ATOM 840 CD1 ILE A 50 3.048 -2.055 -3.419 1.00 0.00 C ATOM 0 H ILE A 50 6.477 -4.080 -4.118 1.00 0.00 H new ATOM 0 HA ILE A 50 4.615 -4.750 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 50 5.330 -2.034 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.167 -4.015 -4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.558 -3.559 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.121 -1.356 -5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.199 -1.899 -7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.908 -2.972 -6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.541 -2.407 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.721 -1.238 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.309 -1.701 -4.138 1.00 0.00 H new ATOM 852 N ASN A 51 7.443 -4.026 -7.124 1.00 0.00 N ATOM 853 CA ASN A 51 8.349 -3.657 -8.211 1.00 0.00 C ATOM 854 C ASN A 51 7.697 -3.900 -9.570 1.00 0.00 C ATOM 855 O ASN A 51 7.797 -3.071 -10.475 1.00 0.00 O ATOM 856 CB ASN A 51 9.653 -4.451 -8.105 1.00 0.00 C ATOM 857 CG ASN A 51 10.833 -3.581 -7.720 1.00 0.00 C ATOM 858 OD1 ASN A 51 10.944 -2.436 -8.160 1.00 0.00 O ATOM 859 ND2 ASN A 51 11.722 -4.120 -6.896 1.00 0.00 N ATOM 0 H ASN A 51 7.847 -4.658 -6.433 1.00 0.00 H new ATOM 0 HA ASN A 51 8.571 -2.594 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.533 -5.243 -7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.859 -4.935 -9.060 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.537 -3.582 -6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.590 -5.073 -6.556 1.00 0.00 H new ATOM 866 N GLU A 52 7.031 -5.042 -9.703 1.00 0.00 N ATOM 867 CA GLU A 52 6.359 -5.403 -10.945 1.00 0.00 C ATOM 868 C GLU A 52 5.480 -4.256 -11.446 1.00 0.00 C ATOM 869 O GLU A 52 4.513 -3.875 -10.789 1.00 0.00 O ATOM 870 CB GLU A 52 5.508 -6.658 -10.741 1.00 0.00 C ATOM 871 CG GLU A 52 6.260 -7.800 -10.080 1.00 0.00 C ATOM 872 CD GLU A 52 5.833 -9.160 -10.601 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.849 -9.715 -10.072 1.00 0.00 O ATOM 874 OE2 GLU A 52 6.484 -9.667 -11.539 1.00 0.00 O ATOM 0 H GLU A 52 6.942 -5.737 -8.961 1.00 0.00 H new ATOM 0 HA GLU A 52 7.123 -5.605 -11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.641 -6.404 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.131 -6.993 -11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.329 -7.671 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.099 -7.761 -9.003 1.00 0.00 H new ATOM 881 N PRO A 53 5.812 -3.690 -12.616 1.00 0.00 N ATOM 882 CA PRO A 53 5.054 -2.582 -13.206 1.00 0.00 C ATOM 883 C PRO A 53 3.543 -2.788 -13.116 1.00 0.00 C ATOM 884 O PRO A 53 2.784 -1.831 -12.963 1.00 0.00 O ATOM 885 CB PRO A 53 5.512 -2.595 -14.663 1.00 0.00 C ATOM 886 CG PRO A 53 6.905 -3.120 -14.616 1.00 0.00 C ATOM 887 CD PRO A 53 6.958 -4.083 -13.456 1.00 0.00 C ATOM 0 HA PRO A 53 5.235 -1.639 -12.689 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.870 -3.229 -15.274 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.480 -1.596 -15.097 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.163 -3.621 -15.549 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.621 -2.309 -14.481 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.872 -5.117 -13.791 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.899 -4.001 -12.912 1.00 0.00 H new ATOM 895 N SER A 54 3.114 -4.044 -13.215 1.00 0.00 N ATOM 896 CA SER A 54 1.695 -4.377 -13.148 1.00 0.00 C ATOM 897 C SER A 54 1.127 -4.115 -11.754 1.00 0.00 C ATOM 898 O SER A 54 -0.071 -3.883 -11.596 1.00 0.00 O ATOM 899 CB SER A 54 1.478 -5.844 -13.530 1.00 0.00 C ATOM 900 OG SER A 54 1.197 -5.975 -14.912 1.00 0.00 O ATOM 0 H SER A 54 3.730 -4.847 -13.342 1.00 0.00 H new ATOM 0 HA SER A 54 1.168 -3.737 -13.856 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.367 -6.423 -13.280 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.654 -6.257 -12.948 1.00 0.00 H new ATOM 0 HG SER A 54 1.064 -6.921 -15.131 1.00 0.00 H new ATOM 906 N ARG A 55 1.993 -4.159 -10.746 1.00 0.00 N ATOM 907 CA ARG A 55 1.576 -3.931 -9.366 1.00 0.00 C ATOM 908 C ARG A 55 1.663 -2.451 -8.987 1.00 0.00 C ATOM 909 O ARG A 55 1.353 -2.076 -7.856 1.00 0.00 O ATOM 910 CB ARG A 55 2.440 -4.756 -8.410 1.00 0.00 C ATOM 911 CG ARG A 55 2.463 -6.240 -8.729 1.00 0.00 C ATOM 912 CD ARG A 55 3.509 -6.970 -7.902 1.00 0.00 C ATOM 913 NE ARG A 55 3.488 -8.412 -8.141 1.00 0.00 N ATOM 914 CZ ARG A 55 4.025 -9.308 -7.314 1.00 0.00 C ATOM 915 NH1 ARG A 55 4.623 -8.915 -6.196 1.00 0.00 N ATOM 916 NH2 ARG A 55 3.962 -10.600 -7.607 1.00 0.00 N ATOM 0 H ARG A 55 2.988 -4.351 -10.859 1.00 0.00 H new ATOM 0 HA ARG A 55 0.535 -4.243 -9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.460 -4.373 -8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.073 -4.618 -7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.480 -6.670 -8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.671 -6.382 -9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.498 -6.578 -8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.335 -6.775 -6.844 1.00 0.00 H new ATOM 0 HE ARG A 55 3.036 -8.752 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.673 -7.922 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.032 -9.606 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.503 -10.907 -8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.373 -11.287 -6.975 1.00 0.00 H new ATOM 930 N LEU A 56 2.089 -1.614 -9.930 1.00 0.00 N ATOM 931 CA LEU A 56 2.215 -0.180 -9.677 1.00 0.00 C ATOM 932 C LEU A 56 0.887 0.426 -9.217 1.00 0.00 C ATOM 933 O LEU A 56 0.853 1.193 -8.256 1.00 0.00 O ATOM 934 CB LEU A 56 2.721 0.540 -10.928 1.00 0.00 C ATOM 935 CG LEU A 56 4.188 0.280 -11.272 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.513 0.808 -12.660 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.100 0.913 -10.231 1.00 0.00 C ATOM 0 H LEU A 56 2.352 -1.902 -10.873 1.00 0.00 H new ATOM 0 HA LEU A 56 2.940 -0.047 -8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.105 0.240 -11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.579 1.612 -10.795 1.00 0.00 H new ATOM 0 HG LEU A 56 4.357 -0.797 -11.267 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.561 0.614 -12.887 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.884 0.308 -13.396 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.327 1.882 -12.694 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.140 0.718 -10.492 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.929 1.989 -10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.885 0.486 -9.251 1.00 0.00 H new ATOM 949 N PRO A 57 -0.230 0.092 -9.894 1.00 0.00 N ATOM 950 CA PRO A 57 -1.551 0.616 -9.533 1.00 0.00 C ATOM 951 C PRO A 57 -1.855 0.461 -8.045 1.00 0.00 C ATOM 952 O PRO A 57 -2.653 1.210 -7.483 1.00 0.00 O ATOM 953 CB PRO A 57 -2.511 -0.238 -10.363 1.00 0.00 C ATOM 954 CG PRO A 57 -1.712 -0.667 -11.542 1.00 0.00 C ATOM 955 CD PRO A 57 -0.296 -0.818 -11.055 1.00 0.00 C ATOM 0 HA PRO A 57 -1.629 1.685 -9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.870 -1.096 -9.795 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.388 0.333 -10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.087 -1.607 -11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.772 0.070 -12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.077 -1.847 -10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.424 -0.540 -11.824 1.00 0.00 H new ATOM 963 N LEU A 58 -1.214 -0.518 -7.413 1.00 0.00 N ATOM 964 CA LEU A 58 -1.418 -0.772 -5.990 1.00 0.00 C ATOM 965 C LEU A 58 -1.092 0.465 -5.159 1.00 0.00 C ATOM 966 O LEU A 58 -1.859 0.851 -4.277 1.00 0.00 O ATOM 967 CB LEU A 58 -0.554 -1.951 -5.533 1.00 0.00 C ATOM 968 CG LEU A 58 -1.208 -2.881 -4.509 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.339 -2.187 -3.161 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.568 -3.350 -5.003 1.00 0.00 C ATOM 0 H LEU A 58 -0.550 -1.148 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.469 -1.018 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.277 -2.538 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.370 -1.560 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.569 -3.755 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.806 -2.865 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.350 -1.904 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.954 -1.294 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.017 -4.010 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.215 -2.487 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.448 -3.889 -5.943 1.00 0.00 H new ATOM 982 N PHE A 59 0.052 1.083 -5.445 1.00 0.00 N ATOM 983 CA PHE A 59 0.484 2.278 -4.722 1.00 0.00 C ATOM 984 C PHE A 59 -0.631 3.318 -4.662 1.00 0.00 C ATOM 985 O PHE A 59 -0.804 4.003 -3.650 1.00 0.00 O ATOM 986 CB PHE A 59 1.721 2.880 -5.389 1.00 0.00 C ATOM 987 CG PHE A 59 2.989 2.130 -5.094 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.389 1.907 -3.786 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.780 1.649 -6.124 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.555 1.219 -3.511 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.946 0.958 -5.856 1.00 0.00 C ATOM 992 CZ PHE A 59 5.335 0.743 -4.547 1.00 0.00 C ATOM 0 H PHE A 59 0.697 0.776 -6.173 1.00 0.00 H new ATOM 0 HA PHE A 59 0.732 1.983 -3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.566 2.905 -6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.835 3.913 -5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.782 2.275 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.482 1.816 -7.149 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.856 1.053 -2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.553 0.586 -6.668 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.247 0.204 -4.335 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.387 3.430 -5.748 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.486 4.385 -5.820 1.00 0.00 C ATOM 1004 C ASP A 60 -3.436 4.197 -4.642 1.00 0.00 C ATOM 1005 O ASP A 60 -3.860 5.165 -4.017 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.245 4.228 -7.141 1.00 0.00 C ATOM 1007 CG ASP A 60 -3.232 5.499 -7.968 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -2.179 5.807 -8.564 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -4.274 6.184 -8.019 1.00 0.00 O ATOM 0 H ASP A 60 -1.259 2.871 -6.591 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.070 5.391 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.801 3.417 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.276 3.943 -6.933 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.758 2.944 -4.350 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.651 2.614 -3.244 1.00 0.00 C ATOM 1016 C ALA A 61 -3.974 2.839 -1.894 1.00 0.00 C ATOM 1017 O ALA A 61 -4.640 3.109 -0.894 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.122 1.172 -3.365 1.00 0.00 C ATOM 0 H ALA A 61 -3.413 2.135 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.514 3.278 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.788 0.936 -2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.655 1.041 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.261 0.505 -3.340 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.650 2.720 -1.868 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.890 2.906 -0.636 1.00 0.00 C ATOM 1026 C ILE A 62 -1.978 4.346 -0.133 1.00 0.00 C ATOM 1027 O ILE A 62 -2.034 4.587 1.072 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.406 2.531 -0.822 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.278 1.152 -1.469 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.321 2.561 0.514 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -1.007 0.059 -0.715 1.00 0.00 C ATOM 0 H ILE A 62 -2.082 2.496 -2.685 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.337 2.241 0.103 1.00 0.00 H new ATOM 0 HB ILE A 62 0.054 3.265 -1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.665 1.200 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.778 0.890 -1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.367 2.294 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.259 3.563 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.142 1.848 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.872 -0.891 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.604 -0.017 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.069 0.298 -0.665 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.979 5.299 -1.062 1.00 0.00 N ATOM 1044 CA ARG A 63 -2.050 6.712 -0.697 1.00 0.00 C ATOM 1045 C ARG A 63 -3.297 7.005 0.142 1.00 0.00 C ATOM 1046 O ARG A 63 -3.192 7.462 1.281 1.00 0.00 O ATOM 1047 CB ARG A 63 -2.040 7.586 -1.954 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.817 8.483 -2.059 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.486 8.803 -3.508 1.00 0.00 C ATOM 1050 NE ARG A 63 -1.655 9.270 -4.249 1.00 0.00 N ATOM 1051 CZ ARG A 63 -2.131 10.512 -4.179 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -1.540 11.414 -3.404 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -3.199 10.853 -4.886 1.00 0.00 N ATOM 0 H ARG A 63 -1.932 5.121 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.174 6.948 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.087 6.944 -2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.937 8.205 -1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.995 9.409 -1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.036 7.994 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.292 9.565 -3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.082 7.914 -3.992 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.135 8.606 -4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.717 11.157 -2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.909 12.364 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.656 10.164 -5.484 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.564 11.804 -4.832 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.496 6.742 -0.408 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.764 6.972 0.291 1.00 0.00 C ATOM 1069 C PRO A 64 -5.720 6.546 1.755 1.00 0.00 C ATOM 1070 O PRO A 64 -6.116 7.301 2.644 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.741 6.095 -0.491 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.211 6.097 -1.880 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.712 6.195 -1.759 1.00 0.00 C ATOM 0 HA PRO A 64 -6.030 8.029 0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.782 5.085 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.754 6.496 -0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.500 5.188 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.611 6.937 -2.448 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.238 5.220 -1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.292 6.847 -2.525 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.231 5.335 1.998 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.131 4.809 3.354 1.00 0.00 C ATOM 1083 C LEU A 65 -4.123 5.610 4.165 1.00 0.00 C ATOM 1084 O LEU A 65 -4.275 5.787 5.375 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.723 3.334 3.324 1.00 0.00 C ATOM 1086 CG LEU A 65 -5.819 2.367 2.875 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -5.215 1.045 2.428 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -6.823 2.145 3.996 1.00 0.00 C ATOM 0 H LEU A 65 -4.898 4.699 1.273 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.109 4.896 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.867 3.223 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.391 3.045 4.321 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.342 2.808 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.010 0.370 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.535 1.219 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.667 0.597 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.597 1.454 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.313 1.725 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.280 3.096 4.269 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.090 6.090 3.486 1.00 0.00 N ATOM 1101 CA ILE A 66 -2.043 6.870 4.125 1.00 0.00 C ATOM 1102 C ILE A 66 -2.474 8.332 4.290 1.00 0.00 C ATOM 1103 O ILE A 66 -3.125 8.899 3.413 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.729 6.778 3.308 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.193 5.717 3.910 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.015 8.120 3.239 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.139 5.097 2.903 1.00 0.00 C ATOM 0 H ILE A 66 -2.956 5.950 2.485 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.865 6.457 5.118 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.990 6.490 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.775 6.167 4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.415 4.931 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.901 8.015 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.665 8.854 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.231 8.454 4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.763 4.354 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.564 4.618 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.772 5.873 2.473 1.00 0.00 H new ATOM 1119 N PRO A 67 -2.118 8.959 5.428 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.470 10.353 5.716 1.00 0.00 C ATOM 1121 C PRO A 67 -2.194 11.286 4.537 1.00 0.00 C ATOM 1122 O PRO A 67 -1.383 10.982 3.664 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.584 10.725 6.917 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.685 9.552 7.153 1.00 0.00 C ATOM 1125 CD PRO A 67 -1.354 8.363 6.528 1.00 0.00 C ATOM 0 HA PRO A 67 -3.536 10.458 5.916 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.004 11.624 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.191 10.934 7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.296 9.721 6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.530 9.392 8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.628 7.634 6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.001 7.845 7.236 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.887 12.424 4.522 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.734 13.413 3.449 1.00 0.00 C ATOM 1135 C LEU A 68 -1.265 13.761 3.213 1.00 0.00 C ATOM 1136 O LEU A 68 -0.690 13.397 2.188 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.527 14.702 3.744 1.00 0.00 C ATOM 1138 CG LEU A 68 -4.279 14.754 5.078 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -3.304 14.853 6.241 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -5.246 15.928 5.094 1.00 0.00 C ATOM 0 H LEU A 68 -3.561 12.687 5.241 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.137 12.955 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.835 15.543 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.248 14.850 2.940 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.849 13.831 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.859 14.889 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.648 13.983 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.706 15.759 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.773 15.952 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.692 16.857 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.967 15.817 4.284 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.666 14.475 4.161 1.00 0.00 N ATOM 1153 CA LYS A 69 0.735 14.883 4.051 1.00 0.00 C ATOM 1154 C LYS A 69 1.614 13.734 3.562 1.00 0.00 C ATOM 1155 O LYS A 69 2.496 13.923 2.720 1.00 0.00 O ATOM 1156 CB LYS A 69 1.246 15.384 5.404 1.00 0.00 C ATOM 1157 CG LYS A 69 1.044 14.389 6.536 1.00 0.00 C ATOM 1158 CD LYS A 69 1.297 15.026 7.893 1.00 0.00 C ATOM 1159 CE LYS A 69 2.495 14.402 8.590 1.00 0.00 C ATOM 1160 NZ LYS A 69 3.331 15.423 9.280 1.00 0.00 N ATOM 0 H LYS A 69 -1.128 14.785 5.016 1.00 0.00 H new ATOM 0 HA LYS A 69 0.790 15.689 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.308 15.615 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.736 16.315 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.027 13.998 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.716 13.541 6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.465 16.096 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.412 14.913 8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.150 13.665 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.103 13.869 7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.137 14.957 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.682 16.112 8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.758 15.915 9.996 1.00 0.00 H new ATOM 1174 N HIS A 70 1.367 12.544 4.096 1.00 0.00 N ATOM 1175 CA HIS A 70 2.136 11.365 3.720 1.00 0.00 C ATOM 1176 C HIS A 70 1.837 10.947 2.283 1.00 0.00 C ATOM 1177 O HIS A 70 2.703 10.407 1.596 1.00 0.00 O ATOM 1178 CB HIS A 70 1.837 10.215 4.679 1.00 0.00 C ATOM 1179 CG HIS A 70 2.546 10.341 5.990 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.637 9.309 6.902 1.00 0.00 N ATOM 1181 CD2 HIS A 70 3.200 11.389 6.545 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.316 9.718 7.959 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.670 10.976 7.766 1.00 0.00 N ATOM 0 H HIS A 70 0.640 12.370 4.790 1.00 0.00 H new ATOM 0 HA HIS A 70 3.195 11.616 3.784 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.763 10.169 4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.122 9.274 4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.328 12.368 6.108 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.543 9.125 8.832 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.206 11.548 8.419 1.00 0.00 H new ATOM 1192 N GLN A 71 0.614 11.201 1.830 1.00 0.00 N ATOM 1193 CA GLN A 71 0.223 10.849 0.468 1.00 0.00 C ATOM 1194 C GLN A 71 1.057 11.624 -0.544 1.00 0.00 C ATOM 1195 O GLN A 71 1.610 11.051 -1.483 1.00 0.00 O ATOM 1196 CB GLN A 71 -1.265 11.134 0.241 1.00 0.00 C ATOM 1197 CG GLN A 71 -2.185 10.056 0.789 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.648 10.448 0.721 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -4.218 10.934 1.699 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -4.264 10.239 -0.435 1.00 0.00 N ATOM 0 H GLN A 71 -0.120 11.646 2.381 1.00 0.00 H new ATOM 0 HA GLN A 71 0.401 9.782 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.518 12.086 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.446 11.244 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.033 9.134 0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.917 9.846 1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.753 9.834 -1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.249 10.483 -0.540 1.00 0.00 H new ATOM 1209 N VAL A 72 1.144 12.931 -0.337 1.00 0.00 N ATOM 1210 CA VAL A 72 1.912 13.798 -1.223 1.00 0.00 C ATOM 1211 C VAL A 72 3.384 13.405 -1.236 1.00 0.00 C ATOM 1212 O VAL A 72 3.981 13.239 -2.299 1.00 0.00 O ATOM 1213 CB VAL A 72 1.788 15.275 -0.810 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.427 16.177 -1.855 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.330 15.650 -0.592 1.00 0.00 C ATOM 0 H VAL A 72 0.692 13.416 0.438 1.00 0.00 H new ATOM 0 HA VAL A 72 1.498 13.674 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 72 2.319 15.415 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.330 17.218 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.483 15.926 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.927 16.035 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.264 16.698 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.228 15.494 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.092 15.027 0.196 1.00 0.00 H new ATOM 1225 N GLU A 73 3.965 13.256 -0.049 1.00 0.00 N ATOM 1226 CA GLU A 73 5.371 12.882 0.063 1.00 0.00 C ATOM 1227 C GLU A 73 5.606 11.485 -0.494 1.00 0.00 C ATOM 1228 O GLU A 73 6.589 11.247 -1.199 1.00 0.00 O ATOM 1229 CB GLU A 73 5.833 12.952 1.520 1.00 0.00 C ATOM 1230 CG GLU A 73 7.320 12.695 1.701 1.00 0.00 C ATOM 1231 CD GLU A 73 7.614 11.286 2.178 1.00 0.00 C ATOM 1232 OE1 GLU A 73 6.949 10.344 1.696 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.510 11.124 3.033 1.00 0.00 O ATOM 0 H GLU A 73 3.488 13.387 0.843 1.00 0.00 H new ATOM 0 HA GLU A 73 5.955 13.591 -0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.592 13.936 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.273 12.223 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.833 12.869 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.724 13.409 2.419 1.00 0.00 H new ATOM 1240 N TYR A 74 4.697 10.563 -0.192 1.00 0.00 N ATOM 1241 CA TYR A 74 4.814 9.197 -0.687 1.00 0.00 C ATOM 1242 C TYR A 74 4.966 9.212 -2.202 1.00 0.00 C ATOM 1243 O TYR A 74 5.746 8.452 -2.771 1.00 0.00 O ATOM 1244 CB TYR A 74 3.591 8.370 -0.286 1.00 0.00 C ATOM 1245 CG TYR A 74 3.743 6.890 -0.557 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.730 6.147 0.079 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.902 6.238 -1.449 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.873 4.793 -0.165 1.00 0.00 C ATOM 1249 CE2 TYR A 74 3.038 4.886 -1.697 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.025 4.169 -1.054 1.00 0.00 C ATOM 1251 OH TYR A 74 4.163 2.822 -1.299 1.00 0.00 O ATOM 0 H TYR A 74 3.877 10.736 0.389 1.00 0.00 H new ATOM 0 HA TYR A 74 5.696 8.737 -0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.396 8.518 0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.719 8.742 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.396 6.635 0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.130 6.797 -1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.644 4.229 0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.374 4.393 -2.391 1.00 0.00 H new ATOM 0 HH TYR A 74 4.377 2.682 -2.245 1.00 0.00 H new ATOM 1261 N ASP A 75 4.220 10.106 -2.841 1.00 0.00 N ATOM 1262 CA ASP A 75 4.274 10.253 -4.287 1.00 0.00 C ATOM 1263 C ASP A 75 5.580 10.923 -4.704 1.00 0.00 C ATOM 1264 O ASP A 75 6.107 10.660 -5.785 1.00 0.00 O ATOM 1265 CB ASP A 75 3.083 11.074 -4.786 1.00 0.00 C ATOM 1266 CG ASP A 75 2.874 10.940 -6.282 1.00 0.00 C ATOM 1267 OD1 ASP A 75 3.194 9.865 -6.832 1.00 0.00 O ATOM 1268 OD2 ASP A 75 2.391 11.909 -6.903 1.00 0.00 O ATOM 0 H ASP A 75 3.570 10.740 -2.377 1.00 0.00 H new ATOM 0 HA ASP A 75 4.228 9.260 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.181 10.753 -4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.239 12.124 -4.536 1.00 0.00 H new ATOM 1273 N GLN A 76 6.101 11.791 -3.835 1.00 0.00 N ATOM 1274 CA GLN A 76 7.347 12.495 -4.117 1.00 0.00 C ATOM 1275 C GLN A 76 8.521 11.523 -4.180 1.00 0.00 C ATOM 1276 O GLN A 76 9.494 11.753 -4.897 1.00 0.00 O ATOM 1277 CB GLN A 76 7.607 13.559 -3.050 1.00 0.00 C ATOM 1278 CG GLN A 76 6.964 14.901 -3.360 1.00 0.00 C ATOM 1279 CD GLN A 76 7.701 15.665 -4.441 1.00 0.00 C ATOM 1280 OE1 GLN A 76 7.524 15.404 -5.632 1.00 0.00 O ATOM 1281 NE2 GLN A 76 8.534 16.615 -4.033 1.00 0.00 N ATOM 0 H GLN A 76 5.680 12.021 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 76 7.249 12.980 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.233 13.199 -2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.683 13.697 -2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.932 14.742 -3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.933 15.503 -2.452 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.650 16.798 -3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.058 17.162 -4.716 1.00 0.00 H new ATOM 1290 N LEU A 77 8.424 10.434 -3.421 1.00 0.00 N ATOM 1291 CA LEU A 77 9.479 9.428 -3.391 1.00 0.00 C ATOM 1292 C LEU A 77 9.242 8.354 -4.445 1.00 0.00 C ATOM 1293 O LEU A 77 10.181 7.876 -5.082 1.00 0.00 O ATOM 1294 CB LEU A 77 9.561 8.788 -2.003 1.00 0.00 C ATOM 1295 CG LEU A 77 10.029 9.722 -0.886 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.530 9.232 0.464 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.546 9.834 -0.886 1.00 0.00 C ATOM 0 H LEU A 77 7.626 10.227 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 77 10.424 9.924 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.578 8.397 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.240 7.936 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 77 9.611 10.712 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.873 9.909 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.440 9.204 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.918 8.232 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.861 10.502 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.984 8.848 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.881 10.232 -1.844 1.00 0.00 H new ATOM 1309 N THR A 78 7.983 7.975 -4.624 1.00 0.00 N ATOM 1310 CA THR A 78 7.621 6.954 -5.600 1.00 0.00 C ATOM 1311 C THR A 78 7.279 7.587 -6.949 1.00 0.00 C ATOM 1312 O THR A 78 6.506 8.542 -7.015 1.00 0.00 O ATOM 1313 CB THR A 78 6.434 6.133 -5.095 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.324 6.970 -4.823 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.738 5.350 -3.836 1.00 0.00 C ATOM 0 H THR A 78 7.194 8.360 -4.105 1.00 0.00 H new ATOM 0 HA THR A 78 8.479 6.295 -5.734 1.00 0.00 H new ATOM 0 HB THR A 78 6.211 5.428 -5.896 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.365 7.276 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.853 4.790 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.557 4.657 -4.027 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.023 6.038 -3.040 1.00 0.00 H new