USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 SER OG : rot 180:sc= 0.799 USER MOD Set 1.2: A 36 THR OG1 : rot 90:sc= 0.908 USER MOD Single : A 6 LYS NZ :NH3+ 140:sc= -0.0889 (180deg=-1.69!) USER MOD Single : A 9 THR OG1 : rot -84:sc= -1.47 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= -0.547 (180deg=-1.28) USER MOD Single : A 15 TYR OH : rot -145:sc= -0.653 USER MOD Single : A 19 THR OG1 : rot -140:sc= 1.2 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= -0.484 (180deg=-1.38) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -69:sc= 1.29 USER MOD Single : A 49 ASN : amide:sc= -1.03 X(o=-1,f=-0.99) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00691 (180deg=-0.13) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.766 USER MOD Single : A 63 HIS : no HD1:sc= -5.14! C(o=-5.1!,f=-8.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -170:sc= -0.516 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.786 5.848 -4.724 1.00 2.11 N ATOM 88 CA LYS A 6 9.151 5.708 -5.218 1.00 31.11 C ATOM 89 C LYS A 6 9.428 6.702 -6.341 1.00 74.14 C ATOM 90 O LYS A 6 10.572 7.092 -6.568 1.00 63.04 O ATOM 91 CB LYS A 6 9.391 4.281 -5.715 1.00 22.43 C ATOM 92 CG LYS A 6 9.049 4.081 -7.181 1.00 51.20 C ATOM 93 CD LYS A 6 10.256 4.320 -8.073 1.00 13.11 C ATOM 94 CE LYS A 6 10.573 3.098 -8.921 1.00 55.02 C ATOM 95 NZ LYS A 6 11.795 3.298 -9.748 1.00 53.50 N ATOM 0 HA LYS A 6 9.833 5.919 -4.394 1.00 31.11 H new ATOM 0 HB2 LYS A 6 10.438 4.021 -5.556 1.00 22.43 H new ATOM 0 HB3 LYS A 6 8.797 3.592 -5.115 1.00 22.43 H new ATOM 0 HG2 LYS A 6 8.677 3.068 -7.334 1.00 51.20 H new ATOM 0 HG3 LYS A 6 8.246 4.761 -7.464 1.00 51.20 H new ATOM 0 HD2 LYS A 6 10.067 5.175 -8.722 1.00 13.11 H new ATOM 0 HD3 LYS A 6 11.120 4.572 -7.458 1.00 13.11 H new ATOM 0 HE2 LYS A 6 10.711 2.232 -8.273 1.00 55.02 H new ATOM 0 HE3 LYS A 6 9.726 2.878 -9.571 1.00 55.02 H new ATOM 0 HZ1 LYS A 6 12.355 2.422 -9.758 1.00 53.50 H new ATOM 0 HZ2 LYS A 6 11.520 3.544 -10.720 1.00 53.50 H new ATOM 0 HZ3 LYS A 6 12.365 4.069 -9.344 1.00 53.50 H new ATOM 109 N GLU A 7 8.372 7.108 -7.040 1.00 12.14 N ATOM 110 CA GLU A 7 8.503 8.057 -8.139 1.00 11.54 C ATOM 111 C GLU A 7 8.530 9.492 -7.618 1.00 62.32 C ATOM 112 O GLU A 7 9.060 10.390 -8.272 1.00 2.42 O ATOM 113 CB GLU A 7 7.351 7.885 -9.131 1.00 11.21 C ATOM 114 CG GLU A 7 7.178 6.457 -9.620 1.00 55.11 C ATOM 115 CD GLU A 7 6.254 6.359 -10.819 1.00 14.25 C ATOM 116 OE1 GLU A 7 5.064 6.713 -10.680 1.00 51.31 O ATOM 117 OE2 GLU A 7 6.719 5.929 -11.894 1.00 24.40 O ATOM 0 H GLU A 7 7.417 6.795 -6.865 1.00 12.14 H new ATOM 0 HA GLU A 7 9.445 7.856 -8.649 1.00 11.54 H new ATOM 0 HB2 GLU A 7 6.425 8.214 -8.660 1.00 11.21 H new ATOM 0 HB3 GLU A 7 7.521 8.536 -9.989 1.00 11.21 H new ATOM 0 HG2 GLU A 7 8.153 6.046 -9.883 1.00 55.11 H new ATOM 0 HG3 GLU A 7 6.782 5.845 -8.810 1.00 55.11 H new ATOM 124 N ARG A 8 7.955 9.698 -6.438 1.00 73.12 N ATOM 125 CA ARG A 8 7.911 11.022 -5.830 1.00 41.33 C ATOM 126 C ARG A 8 9.320 11.547 -5.570 1.00 11.53 C ATOM 127 O ARG A 8 9.569 12.751 -5.642 1.00 3.42 O ATOM 128 CB ARG A 8 7.121 10.980 -4.521 1.00 53.33 C ATOM 129 CG ARG A 8 6.552 12.328 -4.110 1.00 11.33 C ATOM 130 CD ARG A 8 5.359 12.169 -3.181 1.00 15.23 C ATOM 131 NE ARG A 8 4.793 13.458 -2.791 1.00 74.00 N ATOM 132 CZ ARG A 8 4.061 14.215 -3.602 1.00 21.45 C ATOM 133 NH1 ARG A 8 3.808 13.813 -4.840 1.00 13.25 N ATOM 134 NH2 ARG A 8 3.581 15.375 -3.174 1.00 12.32 N ATOM 0 H ARG A 8 7.513 8.965 -5.884 1.00 73.12 H new ATOM 0 HA ARG A 8 7.412 11.697 -6.525 1.00 41.33 H new ATOM 0 HB2 ARG A 8 6.304 10.266 -4.622 1.00 53.33 H new ATOM 0 HB3 ARG A 8 7.770 10.611 -3.726 1.00 53.33 H new ATOM 0 HG2 ARG A 8 7.325 12.915 -3.614 1.00 11.33 H new ATOM 0 HG3 ARG A 8 6.251 12.883 -4.998 1.00 11.33 H new ATOM 0 HD2 ARG A 8 4.593 11.571 -3.674 1.00 15.23 H new ATOM 0 HD3 ARG A 8 5.665 11.622 -2.289 1.00 15.23 H new ATOM 0 HE ARG A 8 4.969 13.796 -1.845 1.00 74.00 H new ATOM 0 HH11 ARG A 8 4.175 12.921 -5.172 1.00 13.25 H new ATOM 0 HH12 ARG A 8 3.246 14.396 -5.461 1.00 13.25 H new ATOM 0 HH21 ARG A 8 3.774 15.687 -2.222 1.00 12.32 H new ATOM 0 HH22 ARG A 8 3.019 15.956 -3.797 1.00 12.32 H new ATOM 148 N THR A 9 10.239 10.636 -5.266 1.00 10.24 N ATOM 149 CA THR A 9 11.622 11.007 -4.992 1.00 73.25 C ATOM 150 C THR A 9 12.408 11.187 -6.286 1.00 25.43 C ATOM 151 O THR A 9 13.378 11.944 -6.333 1.00 1.21 O ATOM 152 CB THR A 9 12.325 9.950 -4.120 1.00 32.11 C ATOM 153 OG1 THR A 9 13.706 10.290 -3.956 1.00 10.11 O ATOM 154 CG2 THR A 9 12.208 8.568 -4.745 1.00 24.10 C ATOM 0 H THR A 9 10.051 9.636 -5.203 1.00 10.24 H new ATOM 0 HA THR A 9 11.595 11.953 -4.451 1.00 73.25 H new ATOM 0 HB THR A 9 11.838 9.933 -3.145 1.00 32.11 H new ATOM 0 HG1 THR A 9 14.217 9.962 -4.725 1.00 10.11 H new ATOM 0 HG21 THR A 9 12.712 7.838 -4.111 1.00 24.10 H new ATOM 0 HG22 THR A 9 11.156 8.300 -4.841 1.00 24.10 H new ATOM 0 HG23 THR A 9 12.672 8.574 -5.731 1.00 24.10 H new ATOM 162 N ILE A 10 11.985 10.487 -7.333 1.00 31.44 N ATOM 163 CA ILE A 10 12.650 10.571 -8.627 1.00 13.20 C ATOM 164 C ILE A 10 12.838 12.023 -9.055 1.00 33.24 C ATOM 165 O ILE A 10 13.918 12.417 -9.495 1.00 54.23 O ATOM 166 CB ILE A 10 11.857 9.825 -9.717 1.00 2.43 C ATOM 167 CG1 ILE A 10 11.918 8.315 -9.479 1.00 14.25 C ATOM 168 CG2 ILE A 10 12.398 10.172 -11.096 1.00 23.32 C ATOM 169 CD1 ILE A 10 13.315 7.743 -9.577 1.00 55.34 C ATOM 0 H ILE A 10 11.185 9.855 -7.310 1.00 31.44 H new ATOM 0 HA ILE A 10 13.626 10.099 -8.512 1.00 13.20 H new ATOM 0 HB ILE A 10 10.815 10.140 -9.667 1.00 2.43 H new ATOM 0 HG12 ILE A 10 11.512 8.094 -8.492 1.00 14.25 H new ATOM 0 HG13 ILE A 10 11.278 7.815 -10.206 1.00 14.25 H new ATOM 0 HG21 ILE A 10 11.828 9.637 -11.856 1.00 23.32 H new ATOM 0 HG22 ILE A 10 12.308 11.245 -11.263 1.00 23.32 H new ATOM 0 HG23 ILE A 10 13.447 9.882 -11.159 1.00 23.32 H new ATOM 0 HD11 ILE A 10 13.282 6.668 -9.397 1.00 55.34 H new ATOM 0 HD12 ILE A 10 13.717 7.932 -10.573 1.00 55.34 H new ATOM 0 HD13 ILE A 10 13.955 8.216 -8.832 1.00 55.34 H new ATOM 181 N LYS A 11 11.780 12.815 -8.920 1.00 53.20 N ATOM 182 CA LYS A 11 11.827 14.225 -9.289 1.00 42.00 C ATOM 183 C LYS A 11 12.859 14.973 -8.450 1.00 71.52 C ATOM 184 O LYS A 11 13.607 15.804 -8.966 1.00 31.32 O ATOM 185 CB LYS A 11 10.449 14.866 -9.112 1.00 40.41 C ATOM 186 CG LYS A 11 9.314 14.038 -9.690 1.00 2.45 C ATOM 187 CD LYS A 11 7.989 14.778 -9.613 1.00 1.11 C ATOM 188 CE LYS A 11 6.811 13.817 -9.655 1.00 50.13 C ATOM 189 NZ LYS A 11 5.894 14.113 -10.791 1.00 1.42 N ATOM 0 H LYS A 11 10.879 12.504 -8.557 1.00 53.20 H new ATOM 0 HA LYS A 11 12.120 14.291 -10.337 1.00 42.00 H new ATOM 0 HB2 LYS A 11 10.266 15.026 -8.050 1.00 40.41 H new ATOM 0 HB3 LYS A 11 10.450 15.847 -9.587 1.00 40.41 H new ATOM 0 HG2 LYS A 11 9.534 13.792 -10.729 1.00 2.45 H new ATOM 0 HG3 LYS A 11 9.237 13.095 -9.148 1.00 2.45 H new ATOM 0 HD2 LYS A 11 7.950 15.363 -8.694 1.00 1.11 H new ATOM 0 HD3 LYS A 11 7.915 15.482 -10.442 1.00 1.11 H new ATOM 0 HE2 LYS A 11 7.179 12.795 -9.742 1.00 50.13 H new ATOM 0 HE3 LYS A 11 6.259 13.878 -8.717 1.00 50.13 H new ATOM 0 HZ1 LYS A 11 5.104 13.436 -10.785 1.00 1.42 H new ATOM 0 HZ2 LYS A 11 5.523 15.080 -10.695 1.00 1.42 H new ATOM 0 HZ3 LYS A 11 6.414 14.030 -11.688 1.00 1.42 H new ATOM 203 N ILE A 12 12.894 14.671 -7.157 1.00 21.52 N ATOM 204 CA ILE A 12 13.836 15.312 -6.248 1.00 41.44 C ATOM 205 C ILE A 12 15.273 14.928 -6.584 1.00 71.42 C ATOM 206 O ILE A 12 16.113 15.788 -6.842 1.00 41.32 O ATOM 207 CB ILE A 12 13.546 14.941 -4.782 1.00 64.21 C ATOM 208 CG1 ILE A 12 12.119 15.341 -4.404 1.00 51.51 C ATOM 209 CG2 ILE A 12 14.552 15.610 -3.857 1.00 65.25 C ATOM 210 CD1 ILE A 12 11.755 15.005 -2.975 1.00 2.01 C ATOM 0 H ILE A 12 12.281 13.986 -6.715 1.00 21.52 H new ATOM 0 HA ILE A 12 13.712 16.388 -6.373 1.00 41.44 H new ATOM 0 HB ILE A 12 13.642 13.861 -4.671 1.00 64.21 H new ATOM 0 HG12 ILE A 12 11.998 16.413 -4.559 1.00 51.51 H new ATOM 0 HG13 ILE A 12 11.421 14.841 -5.075 1.00 51.51 H new ATOM 0 HG21 ILE A 12 14.334 15.338 -2.824 1.00 65.25 H new ATOM 0 HG22 ILE A 12 15.558 15.280 -4.114 1.00 65.25 H new ATOM 0 HG23 ILE A 12 14.486 16.692 -3.969 1.00 65.25 H new ATOM 0 HD11 ILE A 12 10.729 15.317 -2.778 1.00 2.01 H new ATOM 0 HD12 ILE A 12 11.843 13.930 -2.820 1.00 2.01 H new ATOM 0 HD13 ILE A 12 12.430 15.526 -2.296 1.00 2.01 H new ATOM 222 N GLY A 13 15.548 13.627 -6.581 1.00 32.42 N ATOM 223 CA GLY A 13 16.884 13.150 -6.888 1.00 75.22 C ATOM 224 C GLY A 13 17.395 13.674 -8.215 1.00 60.23 C ATOM 225 O GLY A 13 18.595 13.889 -8.386 1.00 23.41 O ATOM 0 H GLY A 13 14.869 12.895 -6.371 1.00 32.42 H new ATOM 0 HA2 GLY A 13 17.566 13.453 -6.094 1.00 75.22 H new ATOM 0 HA3 GLY A 13 16.882 12.060 -6.908 1.00 75.22 H new ATOM 229 N LYS A 14 16.483 13.879 -9.160 1.00 1.24 N ATOM 230 CA LYS A 14 16.847 14.381 -10.479 1.00 62.24 C ATOM 231 C LYS A 14 16.912 15.905 -10.483 1.00 64.33 C ATOM 232 O LYS A 14 17.605 16.504 -11.306 1.00 24.12 O ATOM 233 CB LYS A 14 15.840 13.900 -11.526 1.00 53.12 C ATOM 234 CG LYS A 14 15.793 12.389 -11.677 1.00 12.44 C ATOM 235 CD LYS A 14 16.350 11.945 -13.019 1.00 3.15 C ATOM 236 CE LYS A 14 15.933 10.521 -13.352 1.00 32.04 C ATOM 237 NZ LYS A 14 17.089 9.694 -13.796 1.00 34.32 N ATOM 0 H LYS A 14 15.486 13.705 -9.036 1.00 1.24 H new ATOM 0 HA LYS A 14 17.835 13.993 -10.728 1.00 62.24 H new ATOM 0 HB2 LYS A 14 14.848 14.261 -11.256 1.00 53.12 H new ATOM 0 HB3 LYS A 14 16.090 14.345 -12.489 1.00 53.12 H new ATOM 0 HG2 LYS A 14 16.364 11.924 -10.873 1.00 12.44 H new ATOM 0 HG3 LYS A 14 14.764 12.044 -11.577 1.00 12.44 H new ATOM 0 HD2 LYS A 14 16.000 12.620 -13.800 1.00 3.15 H new ATOM 0 HD3 LYS A 14 17.438 12.012 -13.003 1.00 3.15 H new ATOM 0 HE2 LYS A 14 15.474 10.063 -12.476 1.00 32.04 H new ATOM 0 HE3 LYS A 14 15.176 10.538 -14.136 1.00 32.04 H new ATOM 0 HZ1 LYS A 14 16.942 8.707 -13.504 1.00 34.32 H new ATOM 0 HZ2 LYS A 14 17.171 9.740 -14.832 1.00 34.32 H new ATOM 0 HZ3 LYS A 14 17.962 10.057 -13.363 1.00 34.32 H new ATOM 251 N TYR A 15 16.188 16.526 -9.559 1.00 70.50 N ATOM 252 CA TYR A 15 16.163 17.980 -9.457 1.00 21.21 C ATOM 253 C TYR A 15 17.400 18.496 -8.727 1.00 74.15 C ATOM 254 O TYR A 15 17.983 19.509 -9.113 1.00 44.21 O ATOM 255 CB TYR A 15 14.899 18.439 -8.729 1.00 12.33 C ATOM 256 CG TYR A 15 14.734 19.942 -8.691 1.00 73.25 C ATOM 257 CD1 TYR A 15 15.383 20.708 -7.731 1.00 33.11 C ATOM 258 CD2 TYR A 15 13.928 20.595 -9.616 1.00 3.21 C ATOM 259 CE1 TYR A 15 15.234 22.081 -7.692 1.00 64.15 C ATOM 260 CE2 TYR A 15 13.775 21.968 -9.586 1.00 23.30 C ATOM 261 CZ TYR A 15 14.430 22.706 -8.622 1.00 41.14 C ATOM 262 OH TYR A 15 14.279 24.074 -8.588 1.00 62.53 O ATOM 0 H TYR A 15 15.610 16.045 -8.870 1.00 70.50 H new ATOM 0 HA TYR A 15 16.162 18.390 -10.467 1.00 21.21 H new ATOM 0 HB2 TYR A 15 14.029 17.999 -9.216 1.00 12.33 H new ATOM 0 HB3 TYR A 15 14.919 18.058 -7.708 1.00 12.33 H new ATOM 0 HD1 TYR A 15 16.015 20.222 -7.003 1.00 33.11 H new ATOM 0 HD2 TYR A 15 13.413 20.020 -10.371 1.00 3.21 H new ATOM 0 HE1 TYR A 15 15.744 22.661 -6.938 1.00 64.15 H new ATOM 0 HE2 TYR A 15 13.146 22.460 -10.313 1.00 23.30 H new ATOM 0 HH TYR A 15 13.366 24.309 -8.855 1.00 62.53 H new ATOM 272 N ILE A 16 17.793 17.791 -7.672 1.00 41.01 N ATOM 273 CA ILE A 16 18.961 18.176 -6.889 1.00 72.12 C ATOM 274 C ILE A 16 20.195 18.315 -7.774 1.00 73.44 C ATOM 275 O ILE A 16 21.059 19.155 -7.526 1.00 1.31 O ATOM 276 CB ILE A 16 19.254 17.153 -5.776 1.00 1.13 C ATOM 277 CG1 ILE A 16 19.772 15.845 -6.378 1.00 14.21 C ATOM 278 CG2 ILE A 16 18.005 16.902 -4.945 1.00 13.13 C ATOM 279 CD1 ILE A 16 21.281 15.753 -6.416 1.00 30.15 C ATOM 0 H ILE A 16 17.320 16.951 -7.340 1.00 41.01 H new ATOM 0 HA ILE A 16 18.733 19.140 -6.435 1.00 72.12 H new ATOM 0 HB ILE A 16 20.025 17.561 -5.123 1.00 1.13 H new ATOM 0 HG12 ILE A 16 19.380 15.008 -5.800 1.00 14.21 H new ATOM 0 HG13 ILE A 16 19.384 15.742 -7.392 1.00 14.21 H new ATOM 0 HG21 ILE A 16 18.228 16.177 -4.163 1.00 13.13 H new ATOM 0 HG22 ILE A 16 17.677 17.837 -4.490 1.00 13.13 H new ATOM 0 HG23 ILE A 16 17.214 16.512 -5.586 1.00 13.13 H new ATOM 0 HD11 ILE A 16 21.576 14.800 -6.855 1.00 30.15 H new ATOM 0 HD12 ILE A 16 21.680 16.569 -7.018 1.00 30.15 H new ATOM 0 HD13 ILE A 16 21.675 15.823 -5.402 1.00 30.15 H new ATOM 291 N VAL A 17 20.269 17.485 -8.810 1.00 45.04 N ATOM 292 CA VAL A 17 21.396 17.517 -9.735 1.00 61.34 C ATOM 293 C VAL A 17 21.172 18.544 -10.839 1.00 42.31 C ATOM 294 O VAL A 17 22.124 19.104 -11.381 1.00 65.14 O ATOM 295 CB VAL A 17 21.636 16.136 -10.375 1.00 52.33 C ATOM 296 CG1 VAL A 17 20.437 15.721 -11.214 1.00 71.11 C ATOM 297 CG2 VAL A 17 22.905 16.152 -11.214 1.00 75.35 C ATOM 0 H VAL A 17 19.563 16.783 -9.030 1.00 45.04 H new ATOM 0 HA VAL A 17 22.274 17.798 -9.154 1.00 61.34 H new ATOM 0 HB VAL A 17 21.763 15.402 -9.579 1.00 52.33 H new ATOM 0 HG11 VAL A 17 20.625 14.743 -11.658 1.00 71.11 H new ATOM 0 HG12 VAL A 17 19.551 15.668 -10.581 1.00 71.11 H new ATOM 0 HG13 VAL A 17 20.275 16.454 -12.005 1.00 71.11 H new ATOM 0 HG21 VAL A 17 23.060 15.169 -11.659 1.00 75.35 H new ATOM 0 HG22 VAL A 17 22.809 16.897 -12.004 1.00 75.35 H new ATOM 0 HG23 VAL A 17 23.757 16.402 -10.581 1.00 75.35 H new ATOM 307 N GLU A 18 19.907 18.788 -11.166 1.00 32.50 N ATOM 308 CA GLU A 18 19.558 19.748 -12.206 1.00 44.31 C ATOM 309 C GLU A 18 19.762 21.179 -11.716 1.00 21.14 C ATOM 310 O GLU A 18 20.005 22.091 -12.507 1.00 31.20 O ATOM 311 CB GLU A 18 18.107 19.551 -12.648 1.00 71.01 C ATOM 312 CG GLU A 18 17.964 19.156 -14.108 1.00 73.33 C ATOM 313 CD GLU A 18 16.926 18.070 -14.320 1.00 10.42 C ATOM 314 OE1 GLU A 18 17.268 16.882 -14.145 1.00 74.25 O ATOM 315 OE2 GLU A 18 15.773 18.409 -14.660 1.00 2.14 O ATOM 0 H GLU A 18 19.107 18.334 -10.726 1.00 32.50 H new ATOM 0 HA GLU A 18 20.216 19.576 -13.058 1.00 44.31 H new ATOM 0 HB2 GLU A 18 17.648 18.783 -12.026 1.00 71.01 H new ATOM 0 HB3 GLU A 18 17.555 20.474 -12.474 1.00 71.01 H new ATOM 0 HG2 GLU A 18 17.690 20.034 -14.693 1.00 73.33 H new ATOM 0 HG3 GLU A 18 18.927 18.811 -14.483 1.00 73.33 H new ATOM 322 N THR A 19 19.661 21.369 -10.404 1.00 20.44 N ATOM 323 CA THR A 19 19.832 22.687 -9.807 1.00 1.14 C ATOM 324 C THR A 19 21.079 22.737 -8.931 1.00 61.32 C ATOM 325 O THR A 19 21.567 23.814 -8.587 1.00 74.42 O ATOM 326 CB THR A 19 18.608 23.083 -8.960 1.00 1.35 C ATOM 327 OG1 THR A 19 18.409 22.130 -7.910 1.00 71.52 O ATOM 328 CG2 THR A 19 17.357 23.165 -9.821 1.00 42.24 C ATOM 0 H THR A 19 19.461 20.626 -9.735 1.00 20.44 H new ATOM 0 HA THR A 19 19.940 23.394 -10.629 1.00 1.14 H new ATOM 0 HB THR A 19 18.797 24.065 -8.527 1.00 1.35 H new ATOM 0 HG1 THR A 19 17.450 21.964 -7.797 1.00 71.52 H new ATOM 0 HG21 THR A 19 16.506 23.446 -9.201 1.00 42.24 H new ATOM 0 HG22 THR A 19 17.500 23.913 -10.601 1.00 42.24 H new ATOM 0 HG23 THR A 19 17.167 22.195 -10.280 1.00 42.24 H new ATOM 336 N LYS A 20 21.592 21.564 -8.574 1.00 4.42 N ATOM 337 CA LYS A 20 22.785 21.473 -7.740 1.00 12.03 C ATOM 338 C LYS A 20 22.595 22.238 -6.434 1.00 21.13 C ATOM 339 O LYS A 20 23.562 22.689 -5.820 1.00 44.11 O ATOM 340 CB LYS A 20 24.001 22.019 -8.491 1.00 51.30 C ATOM 341 CG LYS A 20 24.133 21.483 -9.906 1.00 23.32 C ATOM 342 CD LYS A 20 24.458 19.998 -9.911 1.00 54.21 C ATOM 343 CE LYS A 20 25.811 19.721 -9.274 1.00 51.15 C ATOM 344 NZ LYS A 20 26.537 18.623 -9.970 1.00 73.34 N ATOM 0 H LYS A 20 21.200 20.663 -8.849 1.00 4.42 H new ATOM 0 HA LYS A 20 22.954 20.422 -7.504 1.00 12.03 H new ATOM 0 HB2 LYS A 20 23.937 23.106 -8.528 1.00 51.30 H new ATOM 0 HB3 LYS A 20 24.904 21.772 -7.932 1.00 51.30 H new ATOM 0 HG2 LYS A 20 23.204 21.655 -10.450 1.00 23.32 H new ATOM 0 HG3 LYS A 20 24.916 22.030 -10.432 1.00 23.32 H new ATOM 0 HD2 LYS A 20 23.683 19.453 -9.372 1.00 54.21 H new ATOM 0 HD3 LYS A 20 24.455 19.627 -10.936 1.00 54.21 H new ATOM 0 HE2 LYS A 20 26.416 20.628 -9.297 1.00 51.15 H new ATOM 0 HE3 LYS A 20 25.672 19.457 -8.226 1.00 51.15 H new ATOM 0 HZ1 LYS A 20 27.454 18.465 -9.506 1.00 73.34 H new ATOM 0 HZ2 LYS A 20 25.972 17.751 -9.927 1.00 73.34 H new ATOM 0 HZ3 LYS A 20 26.693 18.885 -10.964 1.00 73.34 H new ATOM 358 N LYS A 21 21.343 22.379 -6.013 1.00 12.33 N ATOM 359 CA LYS A 21 21.025 23.087 -4.778 1.00 25.00 C ATOM 360 C LYS A 21 21.031 22.133 -3.587 1.00 44.45 C ATOM 361 O LYS A 21 21.371 20.957 -3.722 1.00 13.21 O ATOM 362 CB LYS A 21 19.660 23.768 -4.893 1.00 32.12 C ATOM 363 CG LYS A 21 19.740 25.283 -4.969 1.00 31.22 C ATOM 364 CD LYS A 21 19.125 25.810 -6.254 1.00 74.13 C ATOM 365 CE LYS A 21 17.649 25.453 -6.353 1.00 43.23 C ATOM 366 NZ LYS A 21 16.786 26.666 -6.380 1.00 11.21 N ATOM 0 H LYS A 21 20.531 22.012 -6.509 1.00 12.33 H new ATOM 0 HA LYS A 21 21.790 23.846 -4.617 1.00 25.00 H new ATOM 0 HB2 LYS A 21 19.151 23.395 -5.781 1.00 32.12 H new ATOM 0 HB3 LYS A 21 19.050 23.487 -4.034 1.00 32.12 H new ATOM 0 HG2 LYS A 21 19.225 25.719 -4.113 1.00 31.22 H new ATOM 0 HG3 LYS A 21 20.782 25.597 -4.908 1.00 31.22 H new ATOM 0 HD2 LYS A 21 19.242 26.893 -6.297 1.00 74.13 H new ATOM 0 HD3 LYS A 21 19.659 25.397 -7.110 1.00 74.13 H new ATOM 0 HE2 LYS A 21 17.477 24.865 -7.255 1.00 43.23 H new ATOM 0 HE3 LYS A 21 17.369 24.827 -5.506 1.00 43.23 H new ATOM 0 HZ1 LYS A 21 15.871 26.451 -5.935 1.00 11.21 H new ATOM 0 HZ2 LYS A 21 17.252 27.435 -5.858 1.00 11.21 H new ATOM 0 HZ3 LYS A 21 16.631 26.960 -7.365 1.00 11.21 H new ATOM 380 N THR A 22 20.652 22.647 -2.421 1.00 43.34 N ATOM 381 CA THR A 22 20.614 21.842 -1.208 1.00 34.45 C ATOM 382 C THR A 22 19.214 21.293 -0.956 1.00 71.33 C ATOM 383 O THR A 22 18.227 21.824 -1.466 1.00 21.11 O ATOM 384 CB THR A 22 21.062 22.655 0.021 1.00 11.12 C ATOM 385 OG1 THR A 22 20.024 23.559 0.416 1.00 53.14 O ATOM 386 CG2 THR A 22 22.333 23.435 -0.280 1.00 72.03 C ATOM 0 H THR A 22 20.367 23.618 -2.292 1.00 43.34 H new ATOM 0 HA THR A 22 21.306 21.013 -1.358 1.00 34.45 H new ATOM 0 HB THR A 22 21.266 21.959 0.835 1.00 11.12 H new ATOM 0 HG1 THR A 22 20.316 24.071 1.199 1.00 53.14 H new ATOM 0 HG21 THR A 22 22.630 24.001 0.603 1.00 72.03 H new ATOM 0 HG22 THR A 22 23.129 22.742 -0.551 1.00 72.03 H new ATOM 0 HG23 THR A 22 22.151 24.121 -1.107 1.00 72.03 H new ATOM 394 N VAL A 23 19.134 20.226 -0.167 1.00 2.33 N ATOM 395 CA VAL A 23 17.854 19.606 0.154 1.00 41.31 C ATOM 396 C VAL A 23 16.862 20.636 0.683 1.00 21.10 C ATOM 397 O VAL A 23 15.651 20.485 0.524 1.00 73.23 O ATOM 398 CB VAL A 23 18.019 18.485 1.197 1.00 1.21 C ATOM 399 CG1 VAL A 23 18.597 17.235 0.551 1.00 2.30 C ATOM 400 CG2 VAL A 23 18.896 18.954 2.349 1.00 54.25 C ATOM 0 H VAL A 23 19.941 19.773 0.262 1.00 2.33 H new ATOM 0 HA VAL A 23 17.469 19.177 -0.771 1.00 41.31 H new ATOM 0 HB VAL A 23 17.036 18.237 1.597 1.00 1.21 H new ATOM 0 HG11 VAL A 23 18.706 16.454 1.303 1.00 2.30 H new ATOM 0 HG12 VAL A 23 17.927 16.889 -0.236 1.00 2.30 H new ATOM 0 HG13 VAL A 23 19.572 17.465 0.122 1.00 2.30 H new ATOM 0 HG21 VAL A 23 19.002 18.149 3.077 1.00 54.25 H new ATOM 0 HG22 VAL A 23 19.879 19.231 1.968 1.00 54.25 H new ATOM 0 HG23 VAL A 23 18.436 19.818 2.828 1.00 54.25 H new ATOM 410 N ARG A 24 17.384 21.683 1.313 1.00 42.20 N ATOM 411 CA ARG A 24 16.544 22.738 1.867 1.00 42.44 C ATOM 412 C ARG A 24 15.868 23.535 0.754 1.00 22.15 C ATOM 413 O ARG A 24 14.726 23.972 0.896 1.00 40.23 O ATOM 414 CB ARG A 24 17.377 23.674 2.745 1.00 13.20 C ATOM 415 CG ARG A 24 16.592 24.856 3.291 1.00 33.42 C ATOM 416 CD ARG A 24 16.782 25.005 4.793 1.00 60.35 C ATOM 417 NE ARG A 24 17.821 25.978 5.119 1.00 54.24 N ATOM 418 CZ ARG A 24 17.620 27.291 5.129 1.00 11.31 C ATOM 419 NH1 ARG A 24 16.425 27.785 4.833 1.00 4.05 N ATOM 420 NH2 ARG A 24 18.615 28.113 5.436 1.00 1.42 N ATOM 0 H ARG A 24 18.385 21.823 1.453 1.00 42.20 H new ATOM 0 HA ARG A 24 15.771 22.270 2.477 1.00 42.44 H new ATOM 0 HB2 ARG A 24 17.789 23.106 3.579 1.00 13.20 H new ATOM 0 HB3 ARG A 24 18.222 24.046 2.165 1.00 13.20 H new ATOM 0 HG2 ARG A 24 16.912 25.770 2.790 1.00 33.42 H new ATOM 0 HG3 ARG A 24 15.533 24.725 3.068 1.00 33.42 H new ATOM 0 HD2 ARG A 24 15.841 25.313 5.249 1.00 60.35 H new ATOM 0 HD3 ARG A 24 17.043 24.038 5.223 1.00 60.35 H new ATOM 0 HE ARG A 24 18.751 25.631 5.352 1.00 54.24 H new ATOM 0 HH11 ARG A 24 15.657 27.156 4.597 1.00 4.05 H new ATOM 0 HH12 ARG A 24 16.274 28.794 4.842 1.00 4.05 H new ATOM 0 HH21 ARG A 24 19.535 27.737 5.665 1.00 1.42 H new ATOM 0 HH22 ARG A 24 18.460 29.121 5.443 1.00 1.42 H new ATOM 434 N VAL A 25 16.582 23.720 -0.352 1.00 13.13 N ATOM 435 CA VAL A 25 16.051 24.463 -1.488 1.00 41.33 C ATOM 436 C VAL A 25 15.243 23.556 -2.409 1.00 41.12 C ATOM 437 O VAL A 25 14.323 24.008 -3.091 1.00 52.21 O ATOM 438 CB VAL A 25 17.179 25.128 -2.300 1.00 72.43 C ATOM 439 CG1 VAL A 25 16.601 26.070 -3.345 1.00 71.34 C ATOM 440 CG2 VAL A 25 18.136 25.865 -1.377 1.00 3.42 C ATOM 0 H VAL A 25 17.529 23.366 -0.485 1.00 13.13 H new ATOM 0 HA VAL A 25 15.399 25.237 -1.083 1.00 41.33 H new ATOM 0 HB VAL A 25 17.738 24.349 -2.818 1.00 72.43 H new ATOM 0 HG11 VAL A 25 17.413 26.530 -3.909 1.00 71.34 H new ATOM 0 HG12 VAL A 25 15.959 25.510 -4.025 1.00 71.34 H new ATOM 0 HG13 VAL A 25 16.016 26.846 -2.851 1.00 71.34 H new ATOM 0 HG21 VAL A 25 18.926 26.329 -1.967 1.00 3.42 H new ATOM 0 HG22 VAL A 25 17.593 26.635 -0.829 1.00 3.42 H new ATOM 0 HG23 VAL A 25 18.576 25.160 -0.671 1.00 3.42 H new ATOM 450 N ILE A 26 15.593 22.274 -2.424 1.00 12.34 N ATOM 451 CA ILE A 26 14.899 21.303 -3.260 1.00 32.01 C ATOM 452 C ILE A 26 13.603 20.839 -2.603 1.00 62.43 C ATOM 453 O ILE A 26 12.634 20.508 -3.285 1.00 74.03 O ATOM 454 CB ILE A 26 15.783 20.076 -3.549 1.00 70.34 C ATOM 455 CG1 ILE A 26 17.065 20.501 -4.269 1.00 14.43 C ATOM 456 CG2 ILE A 26 15.018 19.055 -4.379 1.00 13.32 C ATOM 457 CD1 ILE A 26 18.322 19.929 -3.653 1.00 11.15 C ATOM 0 H ILE A 26 16.353 21.884 -1.867 1.00 12.34 H new ATOM 0 HA ILE A 26 14.668 21.804 -4.200 1.00 32.01 H new ATOM 0 HB ILE A 26 16.057 19.614 -2.601 1.00 70.34 H new ATOM 0 HG12 ILE A 26 17.007 20.189 -5.312 1.00 14.43 H new ATOM 0 HG13 ILE A 26 17.131 21.589 -4.265 1.00 14.43 H new ATOM 0 HG21 ILE A 26 15.656 18.194 -4.575 1.00 13.32 H new ATOM 0 HG22 ILE A 26 14.131 18.733 -3.833 1.00 13.32 H new ATOM 0 HG23 ILE A 26 14.718 19.506 -5.325 1.00 13.32 H new ATOM 0 HD11 ILE A 26 19.191 20.272 -4.215 1.00 11.15 H new ATOM 0 HD12 ILE A 26 18.404 20.262 -2.618 1.00 11.15 H new ATOM 0 HD13 ILE A 26 18.278 18.840 -3.682 1.00 11.15 H new ATOM 469 N ALA A 27 13.594 20.818 -1.274 1.00 51.05 N ATOM 470 CA ALA A 27 12.416 20.398 -0.525 1.00 43.12 C ATOM 471 C ALA A 27 11.322 21.459 -0.582 1.00 5.12 C ATOM 472 O ALA A 27 10.172 21.163 -0.904 1.00 34.12 O ATOM 473 CB ALA A 27 12.789 20.098 0.919 1.00 1.22 C ATOM 0 H ALA A 27 14.389 21.087 -0.694 1.00 51.05 H new ATOM 0 HA ALA A 27 12.028 19.489 -0.985 1.00 43.12 H new ATOM 0 HB1 ALA A 27 11.900 19.786 1.467 1.00 1.22 H new ATOM 0 HB2 ALA A 27 13.531 19.300 0.945 1.00 1.22 H new ATOM 0 HB3 ALA A 27 13.204 20.994 1.381 1.00 1.22 H new ATOM 479 N LYS A 28 11.688 22.697 -0.266 1.00 63.22 N ATOM 480 CA LYS A 28 10.739 23.803 -0.281 1.00 52.23 C ATOM 481 C LYS A 28 9.994 23.863 -1.611 1.00 34.52 C ATOM 482 O LYS A 28 8.842 24.293 -1.668 1.00 44.31 O ATOM 483 CB LYS A 28 11.464 25.128 -0.031 1.00 74.32 C ATOM 484 CG LYS A 28 12.628 25.371 -0.975 1.00 44.30 C ATOM 485 CD LYS A 28 12.176 26.055 -2.254 1.00 40.13 C ATOM 486 CE LYS A 28 12.560 27.527 -2.266 1.00 23.24 C ATOM 487 NZ LYS A 28 11.676 28.324 -3.160 1.00 13.14 N ATOM 0 H LYS A 28 12.636 22.959 0.004 1.00 63.22 H new ATOM 0 HA LYS A 28 10.013 23.637 0.515 1.00 52.23 H new ATOM 0 HB2 LYS A 28 10.751 25.947 -0.128 1.00 74.32 H new ATOM 0 HB3 LYS A 28 11.830 25.144 0.996 1.00 74.32 H new ATOM 0 HG2 LYS A 28 13.378 25.986 -0.478 1.00 44.30 H new ATOM 0 HG3 LYS A 28 13.105 24.421 -1.218 1.00 44.30 H new ATOM 0 HD2 LYS A 28 12.623 25.554 -3.113 1.00 40.13 H new ATOM 0 HD3 LYS A 28 11.095 25.959 -2.356 1.00 40.13 H new ATOM 0 HE2 LYS A 28 12.505 27.925 -1.253 1.00 23.24 H new ATOM 0 HE3 LYS A 28 13.595 27.630 -2.593 1.00 23.24 H new ATOM 0 HZ1 LYS A 28 11.970 29.321 -3.140 1.00 13.14 H new ATOM 0 HZ2 LYS A 28 11.747 27.961 -4.132 1.00 13.14 H new ATOM 0 HZ3 LYS A 28 10.692 28.247 -2.833 1.00 13.14 H new ATOM 501 N GLU A 29 10.658 23.426 -2.676 1.00 73.24 N ATOM 502 CA GLU A 29 10.056 23.429 -4.005 1.00 3.42 C ATOM 503 C GLU A 29 8.910 22.426 -4.086 1.00 34.24 C ATOM 504 O GLU A 29 7.893 22.678 -4.733 1.00 1.42 O ATOM 505 CB GLU A 29 11.109 23.104 -5.066 1.00 61.14 C ATOM 506 CG GLU A 29 12.047 24.260 -5.368 1.00 3.51 C ATOM 507 CD GLU A 29 12.087 24.611 -6.843 1.00 35.42 C ATOM 508 OE1 GLU A 29 11.878 23.703 -7.674 1.00 61.14 O ATOM 509 OE2 GLU A 29 12.326 25.793 -7.165 1.00 14.42 O ATOM 0 H GLU A 29 11.612 23.066 -2.645 1.00 73.24 H new ATOM 0 HA GLU A 29 9.657 24.426 -4.193 1.00 3.42 H new ATOM 0 HB2 GLU A 29 11.696 22.248 -4.732 1.00 61.14 H new ATOM 0 HB3 GLU A 29 10.606 22.806 -5.986 1.00 61.14 H new ATOM 0 HG2 GLU A 29 11.734 25.135 -4.799 1.00 3.51 H new ATOM 0 HG3 GLU A 29 13.052 24.004 -5.032 1.00 3.51 H new ATOM 516 N PHE A 30 9.081 21.286 -3.424 1.00 51.01 N ATOM 517 CA PHE A 30 8.062 20.243 -3.422 1.00 30.22 C ATOM 518 C PHE A 30 6.996 20.526 -2.368 1.00 12.43 C ATOM 519 O PHE A 30 5.863 20.059 -2.474 1.00 33.14 O ATOM 520 CB PHE A 30 8.701 18.877 -3.163 1.00 31.14 C ATOM 521 CG PHE A 30 9.386 18.297 -4.367 1.00 2.40 C ATOM 522 CD1 PHE A 30 10.440 18.966 -4.969 1.00 71.54 C ATOM 523 CD2 PHE A 30 8.976 17.085 -4.897 1.00 61.31 C ATOM 524 CE1 PHE A 30 11.073 18.435 -6.078 1.00 30.14 C ATOM 525 CE2 PHE A 30 9.605 16.549 -6.005 1.00 25.12 C ATOM 526 CZ PHE A 30 10.654 17.225 -6.597 1.00 4.45 C ATOM 0 H PHE A 30 9.916 21.061 -2.882 1.00 51.01 H new ATOM 0 HA PHE A 30 7.585 20.234 -4.402 1.00 30.22 H new ATOM 0 HB2 PHE A 30 9.425 18.971 -2.353 1.00 31.14 H new ATOM 0 HB3 PHE A 30 7.932 18.184 -2.824 1.00 31.14 H new ATOM 0 HD1 PHE A 30 10.771 19.913 -4.568 1.00 71.54 H new ATOM 0 HD2 PHE A 30 8.155 16.553 -4.439 1.00 61.31 H new ATOM 0 HE1 PHE A 30 11.894 18.965 -6.538 1.00 30.14 H new ATOM 0 HE2 PHE A 30 9.276 15.602 -6.408 1.00 25.12 H new ATOM 0 HZ PHE A 30 11.146 16.809 -7.464 1.00 4.45 H new ATOM 536 N GLY A 31 7.368 21.296 -1.349 1.00 44.04 N ATOM 537 CA GLY A 31 6.434 21.629 -0.290 1.00 70.51 C ATOM 538 C GLY A 31 6.528 20.676 0.886 1.00 55.34 C ATOM 539 O GLY A 31 5.514 20.316 1.484 1.00 0.25 O ATOM 0 H GLY A 31 8.300 21.695 -1.239 1.00 44.04 H new ATOM 0 HA2 GLY A 31 6.626 22.645 0.054 1.00 70.51 H new ATOM 0 HA3 GLY A 31 5.419 21.613 -0.687 1.00 70.51 H new ATOM 543 N VAL A 32 7.748 20.265 1.217 1.00 54.42 N ATOM 544 CA VAL A 32 7.970 19.348 2.328 1.00 10.53 C ATOM 545 C VAL A 32 9.197 19.754 3.138 1.00 74.30 C ATOM 546 O VAL A 32 9.983 20.600 2.712 1.00 74.21 O ATOM 547 CB VAL A 32 8.150 17.901 1.834 1.00 31.23 C ATOM 548 CG1 VAL A 32 6.816 17.317 1.395 1.00 32.53 C ATOM 549 CG2 VAL A 32 9.163 17.847 0.701 1.00 5.02 C ATOM 0 H VAL A 32 8.598 20.553 0.731 1.00 54.42 H new ATOM 0 HA VAL A 32 7.085 19.399 2.963 1.00 10.53 H new ATOM 0 HB VAL A 32 8.530 17.298 2.659 1.00 31.23 H new ATOM 0 HG11 VAL A 32 6.963 16.294 1.049 1.00 32.53 H new ATOM 0 HG12 VAL A 32 6.123 17.320 2.236 1.00 32.53 H new ATOM 0 HG13 VAL A 32 6.405 17.919 0.584 1.00 32.53 H new ATOM 0 HG21 VAL A 32 9.278 16.817 0.364 1.00 5.02 H new ATOM 0 HG22 VAL A 32 8.815 18.463 -0.128 1.00 5.02 H new ATOM 0 HG23 VAL A 32 10.124 18.222 1.054 1.00 5.02 H new ATOM 559 N SER A 33 9.354 19.143 4.308 1.00 4.52 N ATOM 560 CA SER A 33 10.484 19.443 5.180 1.00 22.22 C ATOM 561 C SER A 33 11.699 18.600 4.804 1.00 31.42 C ATOM 562 O SER A 33 11.564 17.476 4.319 1.00 12.02 O ATOM 563 CB SER A 33 10.108 19.192 6.642 1.00 40.42 C ATOM 564 OG SER A 33 9.487 17.929 6.799 1.00 32.52 O ATOM 0 H SER A 33 8.714 18.438 4.674 1.00 4.52 H new ATOM 0 HA SER A 33 10.740 20.495 5.053 1.00 22.22 H new ATOM 0 HB2 SER A 33 11.002 19.241 7.264 1.00 40.42 H new ATOM 0 HB3 SER A 33 9.435 19.977 6.988 1.00 40.42 H new ATOM 0 HG SER A 33 9.258 17.792 7.742 1.00 32.52 H new ATOM 570 N LYS A 34 12.887 19.150 5.032 1.00 54.14 N ATOM 571 CA LYS A 34 14.127 18.451 4.719 1.00 61.30 C ATOM 572 C LYS A 34 14.137 17.057 5.339 1.00 41.10 C ATOM 573 O LYS A 34 14.642 16.106 4.743 1.00 63.20 O ATOM 574 CB LYS A 34 15.330 19.253 5.222 1.00 74.32 C ATOM 575 CG LYS A 34 15.424 20.646 4.625 1.00 51.22 C ATOM 576 CD LYS A 34 15.024 21.712 5.631 1.00 52.20 C ATOM 577 CE LYS A 34 14.013 22.684 5.041 1.00 20.14 C ATOM 578 NZ LYS A 34 13.371 23.521 6.092 1.00 55.21 N ATOM 0 H LYS A 34 13.017 20.079 5.433 1.00 54.14 H new ATOM 0 HA LYS A 34 14.194 18.349 3.636 1.00 61.30 H new ATOM 0 HB2 LYS A 34 15.273 19.335 6.307 1.00 74.32 H new ATOM 0 HB3 LYS A 34 16.244 18.705 4.991 1.00 74.32 H new ATOM 0 HG2 LYS A 34 16.443 20.829 4.285 1.00 51.22 H new ATOM 0 HG3 LYS A 34 14.779 20.711 3.748 1.00 51.22 H new ATOM 0 HD2 LYS A 34 14.600 21.238 6.516 1.00 52.20 H new ATOM 0 HD3 LYS A 34 15.910 22.259 5.955 1.00 52.20 H new ATOM 0 HE2 LYS A 34 14.509 23.329 4.316 1.00 20.14 H new ATOM 0 HE3 LYS A 34 13.247 22.128 4.501 1.00 20.14 H new ATOM 0 HZ1 LYS A 34 12.689 24.170 5.650 1.00 55.21 H new ATOM 0 HZ2 LYS A 34 12.876 22.907 6.770 1.00 55.21 H new ATOM 0 HZ3 LYS A 34 14.099 24.071 6.591 1.00 55.21 H new ATOM 592 N SER A 35 13.575 16.944 6.538 1.00 74.40 N ATOM 593 CA SER A 35 13.521 15.666 7.239 1.00 1.44 C ATOM 594 C SER A 35 12.702 14.648 6.452 1.00 12.22 C ATOM 595 O SER A 35 12.991 13.451 6.472 1.00 44.35 O ATOM 596 CB SER A 35 12.921 15.851 8.635 1.00 43.44 C ATOM 597 OG SER A 35 12.944 14.637 9.365 1.00 54.05 O ATOM 0 H SER A 35 13.151 17.721 7.044 1.00 74.40 H new ATOM 0 HA SER A 35 14.539 15.290 7.336 1.00 1.44 H new ATOM 0 HB2 SER A 35 13.480 16.615 9.176 1.00 43.44 H new ATOM 0 HB3 SER A 35 11.895 16.208 8.549 1.00 43.44 H new ATOM 0 HG SER A 35 12.557 14.782 10.253 1.00 54.05 H new ATOM 603 N THR A 36 11.676 15.132 5.759 1.00 12.20 N ATOM 604 CA THR A 36 10.813 14.266 4.966 1.00 52.22 C ATOM 605 C THR A 36 11.478 13.885 3.648 1.00 54.50 C ATOM 606 O THR A 36 11.349 12.754 3.180 1.00 31.02 O ATOM 607 CB THR A 36 9.460 14.941 4.669 1.00 30.53 C ATOM 608 OG1 THR A 36 8.817 15.308 5.895 1.00 73.13 O ATOM 609 CG2 THR A 36 8.555 14.011 3.874 1.00 10.53 C ATOM 0 H THR A 36 11.423 16.120 5.731 1.00 12.20 H new ATOM 0 HA THR A 36 10.640 13.366 5.556 1.00 52.22 H new ATOM 0 HB THR A 36 9.647 15.836 4.075 1.00 30.53 H new ATOM 0 HG1 THR A 36 9.090 16.214 6.149 1.00 73.13 H new ATOM 0 HG21 THR A 36 7.606 14.509 3.676 1.00 10.53 H new ATOM 0 HG22 THR A 36 9.035 13.756 2.929 1.00 10.53 H new ATOM 0 HG23 THR A 36 8.375 13.101 4.447 1.00 10.53 H new ATOM 617 N VAL A 37 12.190 14.837 3.053 1.00 13.20 N ATOM 618 CA VAL A 37 12.877 14.601 1.789 1.00 31.31 C ATOM 619 C VAL A 37 14.067 13.666 1.977 1.00 51.40 C ATOM 620 O VAL A 37 14.123 12.588 1.384 1.00 4.45 O ATOM 621 CB VAL A 37 13.367 15.919 1.162 1.00 43.05 C ATOM 622 CG1 VAL A 37 14.128 15.647 -0.127 1.00 63.41 C ATOM 623 CG2 VAL A 37 12.196 16.857 0.911 1.00 44.22 C ATOM 0 H VAL A 37 12.306 15.779 3.426 1.00 13.20 H new ATOM 0 HA VAL A 37 12.155 14.135 1.118 1.00 31.31 H new ATOM 0 HB VAL A 37 14.048 16.403 1.862 1.00 43.05 H new ATOM 0 HG11 VAL A 37 14.466 16.590 -0.556 1.00 63.41 H new ATOM 0 HG12 VAL A 37 14.990 15.015 0.086 1.00 63.41 H new ATOM 0 HG13 VAL A 37 13.473 15.140 -0.836 1.00 63.41 H new ATOM 0 HG21 VAL A 37 12.561 17.784 0.468 1.00 44.22 H new ATOM 0 HG22 VAL A 37 11.489 16.383 0.230 1.00 44.22 H new ATOM 0 HG23 VAL A 37 11.698 17.078 1.855 1.00 44.22 H new ATOM 633 N HIS A 38 15.017 14.087 2.806 1.00 21.31 N ATOM 634 CA HIS A 38 16.207 13.287 3.074 1.00 61.24 C ATOM 635 C HIS A 38 15.826 11.870 3.491 1.00 24.44 C ATOM 636 O HIS A 38 16.586 10.924 3.281 1.00 71.41 O ATOM 637 CB HIS A 38 17.054 13.943 4.165 1.00 73.41 C ATOM 638 CG HIS A 38 18.279 14.627 3.642 1.00 12.41 C ATOM 639 ND1 HIS A 38 18.793 15.779 4.199 1.00 10.15 N ATOM 640 CD2 HIS A 38 19.094 14.316 2.607 1.00 31.45 C ATOM 641 CE1 HIS A 38 19.870 16.147 3.529 1.00 3.02 C ATOM 642 NE2 HIS A 38 20.075 15.275 2.558 1.00 11.33 N ATOM 0 H HIS A 38 14.986 14.977 3.303 1.00 21.31 H new ATOM 0 HA HIS A 38 16.792 13.232 2.156 1.00 61.24 H new ATOM 0 HB2 HIS A 38 16.443 14.670 4.700 1.00 73.41 H new ATOM 0 HB3 HIS A 38 17.353 13.184 4.888 1.00 73.41 H new ATOM 0 HD1 HIS A 38 18.402 16.270 5.003 1.00 10.15 H new ATOM 0 HD2 HIS A 38 18.992 13.470 1.943 1.00 31.45 H new ATOM 0 HE1 HIS A 38 20.479 17.013 3.739 1.00 3.02 H new ATOM 650 N LYS A 39 14.646 11.730 4.085 1.00 1.02 N ATOM 651 CA LYS A 39 14.163 10.429 4.533 1.00 62.05 C ATOM 652 C LYS A 39 14.050 9.458 3.361 1.00 4.43 C ATOM 653 O LYS A 39 14.549 8.335 3.424 1.00 62.41 O ATOM 654 CB LYS A 39 12.804 10.575 5.220 1.00 12.41 C ATOM 655 CG LYS A 39 12.184 9.251 5.630 1.00 74.24 C ATOM 656 CD LYS A 39 11.056 9.448 6.628 1.00 14.34 C ATOM 657 CE LYS A 39 9.818 8.657 6.235 1.00 54.13 C ATOM 658 NZ LYS A 39 9.732 7.362 6.965 1.00 54.11 N ATOM 0 H LYS A 39 14.006 12.503 4.268 1.00 1.02 H new ATOM 0 HA LYS A 39 14.883 10.028 5.247 1.00 62.05 H new ATOM 0 HB2 LYS A 39 12.919 11.202 6.104 1.00 12.41 H new ATOM 0 HB3 LYS A 39 12.121 11.094 4.548 1.00 12.41 H new ATOM 0 HG2 LYS A 39 11.804 8.737 4.747 1.00 74.24 H new ATOM 0 HG3 LYS A 39 12.949 8.610 6.067 1.00 74.24 H new ATOM 0 HD2 LYS A 39 11.388 9.138 7.619 1.00 14.34 H new ATOM 0 HD3 LYS A 39 10.807 10.507 6.692 1.00 14.34 H new ATOM 0 HE2 LYS A 39 8.927 9.250 6.442 1.00 54.13 H new ATOM 0 HE3 LYS A 39 9.833 8.468 5.162 1.00 54.13 H new ATOM 0 HZ1 LYS A 39 8.875 6.853 6.669 1.00 54.11 H new ATOM 0 HZ2 LYS A 39 10.570 6.785 6.748 1.00 54.11 H new ATOM 0 HZ3 LYS A 39 9.692 7.542 7.988 1.00 54.11 H new ATOM 672 N ASP A 40 13.394 9.900 2.294 1.00 34.23 N ATOM 673 CA ASP A 40 13.218 9.071 1.108 1.00 71.25 C ATOM 674 C ASP A 40 14.446 9.146 0.205 1.00 14.42 C ATOM 675 O ASP A 40 14.819 8.164 -0.436 1.00 63.54 O ATOM 676 CB ASP A 40 11.973 9.508 0.334 1.00 61.13 C ATOM 677 CG ASP A 40 10.688 9.161 1.060 1.00 4.21 C ATOM 678 OD1 ASP A 40 10.195 8.028 0.883 1.00 15.22 O ATOM 679 OD2 ASP A 40 10.176 10.023 1.805 1.00 43.31 O ATOM 0 H ASP A 40 12.975 10.828 2.226 1.00 34.23 H new ATOM 0 HA ASP A 40 13.091 8.038 1.433 1.00 71.25 H new ATOM 0 HB2 ASP A 40 12.013 10.584 0.166 1.00 61.13 H new ATOM 0 HB3 ASP A 40 11.973 9.032 -0.647 1.00 61.13 H new ATOM 684 N LEU A 41 15.068 10.319 0.160 1.00 65.24 N ATOM 685 CA LEU A 41 16.254 10.524 -0.665 1.00 61.33 C ATOM 686 C LEU A 41 17.379 9.583 -0.246 1.00 33.45 C ATOM 687 O LEU A 41 18.321 9.347 -1.002 1.00 64.22 O ATOM 688 CB LEU A 41 16.725 11.976 -0.565 1.00 34.20 C ATOM 689 CG LEU A 41 16.082 12.959 -1.544 1.00 60.32 C ATOM 690 CD1 LEU A 41 16.882 13.025 -2.836 1.00 2.52 C ATOM 691 CD2 LEU A 41 14.640 12.563 -1.828 1.00 2.32 C ATOM 0 H LEU A 41 14.771 11.142 0.684 1.00 65.24 H new ATOM 0 HA LEU A 41 15.988 10.305 -1.699 1.00 61.33 H new ATOM 0 HB2 LEU A 41 16.537 12.329 0.449 1.00 34.20 H new ATOM 0 HB3 LEU A 41 17.804 11.998 -0.715 1.00 34.20 H new ATOM 0 HG LEU A 41 16.083 13.949 -1.088 1.00 60.32 H new ATOM 0 HD11 LEU A 41 16.410 13.729 -3.521 1.00 2.52 H new ATOM 0 HD12 LEU A 41 17.898 13.356 -2.619 1.00 2.52 H new ATOM 0 HD13 LEU A 41 16.913 12.037 -3.296 1.00 2.52 H new ATOM 0 HD21 LEU A 41 14.198 13.274 -2.527 1.00 2.32 H new ATOM 0 HD22 LEU A 41 14.616 11.564 -2.263 1.00 2.32 H new ATOM 0 HD23 LEU A 41 14.072 12.567 -0.898 1.00 2.32 H new ATOM 703 N THR A 42 17.273 9.045 0.966 1.00 75.23 N ATOM 704 CA THR A 42 18.279 8.129 1.486 1.00 24.41 C ATOM 705 C THR A 42 17.687 6.747 1.741 1.00 53.50 C ATOM 706 O THR A 42 18.370 5.851 2.233 1.00 23.41 O ATOM 707 CB THR A 42 18.899 8.658 2.793 1.00 12.22 C ATOM 708 OG1 THR A 42 17.905 8.702 3.824 1.00 64.34 O ATOM 709 CG2 THR A 42 19.487 10.046 2.590 1.00 51.31 C ATOM 0 H THR A 42 16.500 9.229 1.605 1.00 75.23 H new ATOM 0 HA THR A 42 19.058 8.053 0.727 1.00 24.41 H new ATOM 0 HB THR A 42 19.700 7.981 3.089 1.00 12.22 H new ATOM 0 HG1 THR A 42 17.248 9.399 3.616 1.00 64.34 H new ATOM 0 HG21 THR A 42 19.919 10.399 3.527 1.00 51.31 H new ATOM 0 HG22 THR A 42 20.263 10.004 1.826 1.00 51.31 H new ATOM 0 HG23 THR A 42 18.701 10.731 2.272 1.00 51.31 H new ATOM 717 N GLU A 43 16.412 6.584 1.402 1.00 33.11 N ATOM 718 CA GLU A 43 15.728 5.310 1.595 1.00 1.41 C ATOM 719 C GLU A 43 15.183 4.779 0.272 1.00 2.43 C ATOM 720 O GLU A 43 15.730 3.838 -0.303 1.00 54.10 O ATOM 721 CB GLU A 43 14.588 5.466 2.603 1.00 14.23 C ATOM 722 CG GLU A 43 15.058 5.552 4.046 1.00 52.34 C ATOM 723 CD GLU A 43 15.423 4.198 4.622 1.00 15.11 C ATOM 724 OE1 GLU A 43 14.517 3.511 5.139 1.00 72.53 O ATOM 725 OE2 GLU A 43 16.613 3.826 4.557 1.00 13.02 O ATOM 0 H GLU A 43 15.832 7.317 0.993 1.00 33.11 H new ATOM 0 HA GLU A 43 16.452 4.593 1.984 1.00 1.41 H new ATOM 0 HB2 GLU A 43 14.020 6.364 2.361 1.00 14.23 H new ATOM 0 HB3 GLU A 43 13.907 4.621 2.502 1.00 14.23 H new ATOM 0 HG2 GLU A 43 15.923 6.212 4.104 1.00 52.34 H new ATOM 0 HG3 GLU A 43 14.273 6.002 4.654 1.00 52.34 H new ATOM 732 N ARG A 44 14.103 5.390 -0.203 1.00 73.44 N ATOM 733 CA ARG A 44 13.482 4.978 -1.457 1.00 22.23 C ATOM 734 C ARG A 44 14.368 5.339 -2.646 1.00 33.50 C ATOM 735 O ARG A 44 14.619 4.509 -3.521 1.00 24.43 O ATOM 736 CB ARG A 44 12.110 5.635 -1.611 1.00 54.32 C ATOM 737 CG ARG A 44 11.038 5.023 -0.725 1.00 33.05 C ATOM 738 CD ARG A 44 10.705 3.602 -1.153 1.00 3.24 C ATOM 739 NE ARG A 44 11.182 2.614 -0.188 1.00 53.33 N ATOM 740 CZ ARG A 44 11.027 1.304 -0.341 1.00 72.11 C ATOM 741 NH1 ARG A 44 10.412 0.826 -1.414 1.00 53.42 N ATOM 742 NH2 ARG A 44 11.488 0.468 0.581 1.00 40.15 N ATOM 0 H ARG A 44 13.640 6.172 0.261 1.00 73.44 H new ATOM 0 HA ARG A 44 13.358 3.895 -1.434 1.00 22.23 H new ATOM 0 HB2 ARG A 44 12.197 6.697 -1.380 1.00 54.32 H new ATOM 0 HB3 ARG A 44 11.795 5.560 -2.652 1.00 54.32 H new ATOM 0 HG2 ARG A 44 11.378 5.022 0.311 1.00 33.05 H new ATOM 0 HG3 ARG A 44 10.138 5.636 -0.765 1.00 33.05 H new ATOM 0 HD2 ARG A 44 9.626 3.502 -1.271 1.00 3.24 H new ATOM 0 HD3 ARG A 44 11.152 3.403 -2.127 1.00 3.24 H new ATOM 0 HE ARG A 44 11.660 2.949 0.649 1.00 53.33 H new ATOM 0 HH11 ARG A 44 10.056 1.465 -2.125 1.00 53.42 H new ATOM 0 HH12 ARG A 44 10.295 -0.181 -1.528 1.00 53.42 H new ATOM 0 HH21 ARG A 44 11.962 0.832 1.408 1.00 40.15 H new ATOM 0 HH22 ARG A 44 11.368 -0.538 0.463 1.00 40.15 H new ATOM 756 N LEU A 45 14.837 6.581 -2.672 1.00 52.10 N ATOM 757 CA LEU A 45 15.694 7.053 -3.754 1.00 61.31 C ATOM 758 C LEU A 45 16.764 6.019 -4.091 1.00 1.10 C ATOM 759 O LEU A 45 16.865 5.540 -5.220 1.00 62.44 O ATOM 760 CB LEU A 45 16.353 8.378 -3.368 1.00 52.35 C ATOM 761 CG LEU A 45 17.706 8.670 -4.018 1.00 71.55 C ATOM 762 CD1 LEU A 45 17.634 8.451 -5.522 1.00 10.22 C ATOM 763 CD2 LEU A 45 18.154 10.090 -3.705 1.00 34.32 C ATOM 0 H LEU A 45 14.638 7.280 -1.956 1.00 52.10 H new ATOM 0 HA LEU A 45 15.073 7.207 -4.636 1.00 61.31 H new ATOM 0 HB2 LEU A 45 15.669 9.188 -3.621 1.00 52.35 H new ATOM 0 HB3 LEU A 45 16.481 8.395 -2.286 1.00 52.35 H new ATOM 0 HG LEU A 45 18.442 7.980 -3.605 1.00 71.55 H new ATOM 0 HD11 LEU A 45 18.606 8.664 -5.968 1.00 10.22 H new ATOM 0 HD12 LEU A 45 17.360 7.416 -5.726 1.00 10.22 H new ATOM 0 HD13 LEU A 45 16.885 9.116 -5.951 1.00 10.22 H new ATOM 0 HD21 LEU A 45 19.119 10.279 -4.176 1.00 34.32 H new ATOM 0 HD22 LEU A 45 17.418 10.797 -4.089 1.00 34.32 H new ATOM 0 HD23 LEU A 45 18.247 10.213 -2.626 1.00 34.32 H new ATOM 775 N PRO A 46 17.581 5.665 -3.088 1.00 65.23 N ATOM 776 CA PRO A 46 18.657 4.682 -3.253 1.00 52.21 C ATOM 777 C PRO A 46 18.124 3.267 -3.449 1.00 52.12 C ATOM 778 O PRO A 46 18.727 2.460 -4.155 1.00 70.14 O ATOM 779 CB PRO A 46 19.434 4.783 -1.938 1.00 43.45 C ATOM 780 CG PRO A 46 18.442 5.290 -0.949 1.00 40.05 C ATOM 781 CD PRO A 46 17.519 6.196 -1.716 1.00 74.22 C ATOM 0 HA PRO A 46 19.261 4.883 -4.138 1.00 52.21 H new ATOM 0 HB2 PRO A 46 19.832 3.814 -1.638 1.00 43.45 H new ATOM 0 HB3 PRO A 46 20.282 5.461 -2.031 1.00 43.45 H new ATOM 0 HG2 PRO A 46 17.891 4.468 -0.492 1.00 40.05 H new ATOM 0 HG3 PRO A 46 18.937 5.830 -0.142 1.00 40.05 H new ATOM 0 HD2 PRO A 46 16.504 6.165 -1.319 1.00 74.22 H new ATOM 0 HD3 PRO A 46 17.847 7.234 -1.672 1.00 74.22 H new ATOM 789 N GLU A 47 16.990 2.974 -2.820 1.00 21.01 N ATOM 790 CA GLU A 47 16.377 1.655 -2.926 1.00 42.21 C ATOM 791 C GLU A 47 15.977 1.356 -4.368 1.00 22.40 C ATOM 792 O GLU A 47 16.201 0.253 -4.869 1.00 3.30 O ATOM 793 CB GLU A 47 15.151 1.563 -2.016 1.00 11.44 C ATOM 794 CG GLU A 47 15.455 0.991 -0.641 1.00 52.31 C ATOM 795 CD GLU A 47 15.453 -0.525 -0.627 1.00 12.02 C ATOM 796 OE1 GLU A 47 14.365 -1.118 -0.783 1.00 54.42 O ATOM 797 OE2 GLU A 47 16.538 -1.119 -0.459 1.00 43.31 O ATOM 0 H GLU A 47 16.478 3.632 -2.232 1.00 21.01 H new ATOM 0 HA GLU A 47 17.112 0.915 -2.609 1.00 42.21 H new ATOM 0 HB2 GLU A 47 14.720 2.557 -1.899 1.00 11.44 H new ATOM 0 HB3 GLU A 47 14.396 0.943 -2.499 1.00 11.44 H new ATOM 0 HG2 GLU A 47 16.428 1.352 -0.308 1.00 52.31 H new ATOM 0 HG3 GLU A 47 14.717 1.358 0.072 1.00 52.31 H new ATOM 804 N ILE A 48 15.384 2.344 -5.029 1.00 12.05 N ATOM 805 CA ILE A 48 14.953 2.187 -6.412 1.00 60.12 C ATOM 806 C ILE A 48 16.059 2.589 -7.381 1.00 44.44 C ATOM 807 O ILE A 48 16.111 2.111 -8.514 1.00 13.24 O ATOM 808 CB ILE A 48 13.696 3.025 -6.709 1.00 52.50 C ATOM 809 CG1 ILE A 48 13.920 4.483 -6.301 1.00 22.00 C ATOM 810 CG2 ILE A 48 12.490 2.447 -5.984 1.00 72.55 C ATOM 811 CD1 ILE A 48 13.528 5.477 -7.371 1.00 51.33 C ATOM 0 H ILE A 48 15.191 3.262 -4.629 1.00 12.05 H new ATOM 0 HA ILE A 48 14.717 1.132 -6.551 1.00 60.12 H new ATOM 0 HB ILE A 48 13.501 2.992 -7.781 1.00 52.50 H new ATOM 0 HG12 ILE A 48 13.348 4.691 -5.397 1.00 22.00 H new ATOM 0 HG13 ILE A 48 14.972 4.625 -6.053 1.00 22.00 H new ATOM 0 HG21 ILE A 48 11.609 3.051 -6.204 1.00 72.55 H new ATOM 0 HG22 ILE A 48 12.321 1.423 -6.318 1.00 72.55 H new ATOM 0 HG23 ILE A 48 12.674 2.452 -4.910 1.00 72.55 H new ATOM 0 HD11 ILE A 48 13.714 6.490 -7.013 1.00 51.33 H new ATOM 0 HD12 ILE A 48 14.118 5.296 -8.269 1.00 51.33 H new ATOM 0 HD13 ILE A 48 12.469 5.363 -7.603 1.00 51.33 H new ATOM 823 N ASN A 49 16.945 3.471 -6.927 1.00 75.14 N ATOM 824 CA ASN A 49 18.052 3.937 -7.754 1.00 52.11 C ATOM 825 C ASN A 49 19.260 4.293 -6.894 1.00 4.40 C ATOM 826 O ASN A 49 19.339 5.372 -6.306 1.00 51.41 O ATOM 827 CB ASN A 49 17.623 5.152 -8.579 1.00 41.14 C ATOM 828 CG ASN A 49 18.239 5.156 -9.965 1.00 51.22 C ATOM 829 OD1 ASN A 49 19.396 4.776 -10.143 1.00 41.05 O ATOM 830 ND2 ASN A 49 17.466 5.588 -10.955 1.00 35.22 N ATOM 0 H ASN A 49 16.917 3.877 -5.992 1.00 75.14 H new ATOM 0 HA ASN A 49 18.334 3.129 -8.429 1.00 52.11 H new ATOM 0 HB2 ASN A 49 16.537 5.163 -8.667 1.00 41.14 H new ATOM 0 HB3 ASN A 49 17.909 6.064 -8.054 1.00 41.14 H new ATOM 0 HD21 ASN A 49 17.826 5.614 -11.909 1.00 35.22 H new ATOM 0 HD22 ASN A 49 16.512 5.894 -10.761 1.00 35.22 H new ATOM 837 N PRO A 50 20.227 3.366 -6.818 1.00 14.11 N ATOM 838 CA PRO A 50 21.450 3.560 -6.033 1.00 73.34 C ATOM 839 C PRO A 50 22.370 4.610 -6.645 1.00 45.00 C ATOM 840 O PRO A 50 22.999 5.390 -5.930 1.00 4.13 O ATOM 841 CB PRO A 50 22.114 2.181 -6.067 1.00 4.22 C ATOM 842 CG PRO A 50 21.601 1.543 -7.311 1.00 51.12 C ATOM 843 CD PRO A 50 20.200 2.057 -7.492 1.00 55.44 C ATOM 0 HA PRO A 50 21.237 3.921 -5.027 1.00 73.34 H new ATOM 0 HB2 PRO A 50 23.201 2.265 -6.085 1.00 4.22 H new ATOM 0 HB3 PRO A 50 21.854 1.595 -5.186 1.00 4.22 H new ATOM 0 HG2 PRO A 50 22.225 1.800 -8.167 1.00 51.12 H new ATOM 0 HG3 PRO A 50 21.610 0.456 -7.225 1.00 51.12 H new ATOM 0 HD2 PRO A 50 19.940 2.153 -8.546 1.00 55.44 H new ATOM 0 HD3 PRO A 50 19.466 1.389 -7.043 1.00 55.44 H new ATOM 851 N ASP A 51 22.445 4.625 -7.971 1.00 74.23 N ATOM 852 CA ASP A 51 23.288 5.581 -8.679 1.00 72.04 C ATOM 853 C ASP A 51 22.788 7.007 -8.468 1.00 24.21 C ATOM 854 O ASP A 51 23.562 7.903 -8.130 1.00 3.42 O ATOM 855 CB ASP A 51 23.321 5.255 -10.173 1.00 42.44 C ATOM 856 CG ASP A 51 24.432 4.287 -10.530 1.00 41.43 C ATOM 857 OD1 ASP A 51 24.705 3.375 -9.723 1.00 62.32 O ATOM 858 OD2 ASP A 51 25.029 4.443 -11.616 1.00 41.14 O ATOM 0 H ASP A 51 21.932 3.985 -8.578 1.00 74.23 H new ATOM 0 HA ASP A 51 24.298 5.506 -8.276 1.00 72.04 H new ATOM 0 HB2 ASP A 51 22.363 4.829 -10.470 1.00 42.44 H new ATOM 0 HB3 ASP A 51 23.450 6.177 -10.740 1.00 42.44 H new ATOM 863 N LEU A 52 21.491 7.210 -8.670 1.00 22.30 N ATOM 864 CA LEU A 52 20.888 8.527 -8.502 1.00 53.34 C ATOM 865 C LEU A 52 21.002 8.998 -7.056 1.00 55.41 C ATOM 866 O LEU A 52 21.023 10.198 -6.784 1.00 3.23 O ATOM 867 CB LEU A 52 19.418 8.494 -8.926 1.00 2.41 C ATOM 868 CG LEU A 52 19.031 9.422 -10.078 1.00 51.01 C ATOM 869 CD1 LEU A 52 17.607 9.143 -10.533 1.00 32.43 C ATOM 870 CD2 LEU A 52 19.185 10.879 -9.665 1.00 73.51 C ATOM 0 H LEU A 52 20.837 6.479 -8.950 1.00 22.30 H new ATOM 0 HA LEU A 52 21.427 9.230 -9.137 1.00 53.34 H new ATOM 0 HB2 LEU A 52 19.165 7.472 -9.208 1.00 2.41 H new ATOM 0 HB3 LEU A 52 18.805 8.747 -8.061 1.00 2.41 H new ATOM 0 HG LEU A 52 19.702 9.230 -10.915 1.00 51.01 H new ATOM 0 HD11 LEU A 52 17.349 9.813 -11.353 1.00 32.43 H new ATOM 0 HD12 LEU A 52 17.529 8.109 -10.870 1.00 32.43 H new ATOM 0 HD13 LEU A 52 16.921 9.306 -9.702 1.00 32.43 H new ATOM 0 HD21 LEU A 52 18.905 11.525 -10.497 1.00 73.51 H new ATOM 0 HD22 LEU A 52 18.538 11.086 -8.812 1.00 73.51 H new ATOM 0 HD23 LEU A 52 20.222 11.071 -9.389 1.00 73.51 H new ATOM 882 N ALA A 53 21.076 8.045 -6.133 1.00 11.31 N ATOM 883 CA ALA A 53 21.192 8.363 -4.715 1.00 21.40 C ATOM 884 C ALA A 53 22.526 9.035 -4.410 1.00 42.45 C ATOM 885 O ALA A 53 22.647 9.787 -3.444 1.00 55.33 O ATOM 886 CB ALA A 53 21.031 7.103 -3.877 1.00 73.23 C ATOM 0 H ALA A 53 21.058 7.047 -6.342 1.00 11.31 H new ATOM 0 HA ALA A 53 20.396 9.062 -4.459 1.00 21.40 H new ATOM 0 HB1 ALA A 53 21.120 7.355 -2.820 1.00 73.23 H new ATOM 0 HB2 ALA A 53 20.051 6.664 -4.064 1.00 73.23 H new ATOM 0 HB3 ALA A 53 21.807 6.386 -4.145 1.00 73.23 H new ATOM 892 N ASN A 54 23.526 8.759 -5.241 1.00 43.12 N ATOM 893 CA ASN A 54 24.853 9.337 -5.059 1.00 51.03 C ATOM 894 C ASN A 54 24.837 10.836 -5.346 1.00 23.55 C ATOM 895 O ASN A 54 25.516 11.612 -4.674 1.00 53.23 O ATOM 896 CB ASN A 54 25.864 8.642 -5.973 1.00 43.43 C ATOM 897 CG ASN A 54 26.838 7.773 -5.202 1.00 64.32 C ATOM 898 OD1 ASN A 54 27.650 8.271 -4.422 1.00 51.43 O ATOM 899 ND2 ASN A 54 26.762 6.465 -5.418 1.00 31.42 N ATOM 0 H ASN A 54 23.443 8.139 -6.047 1.00 43.12 H new ATOM 0 HA ASN A 54 25.149 9.187 -4.021 1.00 51.03 H new ATOM 0 HB2 ASN A 54 25.331 8.029 -6.700 1.00 43.43 H new ATOM 0 HB3 ASN A 54 26.418 9.394 -6.535 1.00 43.43 H new ATOM 0 HD21 ASN A 54 27.392 5.830 -4.928 1.00 31.42 H new ATOM 0 HD22 ASN A 54 26.073 6.096 -6.073 1.00 31.42 H new ATOM 906 N GLU A 55 24.058 11.233 -6.346 1.00 52.32 N ATOM 907 CA GLU A 55 23.954 12.639 -6.721 1.00 23.22 C ATOM 908 C GLU A 55 23.624 13.502 -5.507 1.00 12.51 C ATOM 909 O GLU A 55 24.360 14.431 -5.173 1.00 13.22 O ATOM 910 CB GLU A 55 22.885 12.825 -7.799 1.00 73.31 C ATOM 911 CG GLU A 55 23.033 11.872 -8.974 1.00 12.52 C ATOM 912 CD GLU A 55 22.204 12.291 -10.172 1.00 51.45 C ATOM 913 OE1 GLU A 55 21.267 13.097 -9.992 1.00 52.35 O ATOM 914 OE2 GLU A 55 22.492 11.814 -11.290 1.00 34.13 O ATOM 0 H GLU A 55 23.490 10.602 -6.911 1.00 52.32 H new ATOM 0 HA GLU A 55 24.918 12.955 -7.119 1.00 23.22 H new ATOM 0 HB2 GLU A 55 21.901 12.686 -7.351 1.00 73.31 H new ATOM 0 HB3 GLU A 55 22.926 13.850 -8.166 1.00 73.31 H new ATOM 0 HG2 GLU A 55 24.082 11.818 -9.264 1.00 12.52 H new ATOM 0 HG3 GLU A 55 22.736 10.870 -8.664 1.00 12.52 H new ATOM 921 N VAL A 56 22.511 13.190 -4.851 1.00 30.44 N ATOM 922 CA VAL A 56 22.082 13.936 -3.674 1.00 22.44 C ATOM 923 C VAL A 56 23.103 13.819 -2.547 1.00 41.53 C ATOM 924 O VAL A 56 23.209 14.703 -1.696 1.00 74.21 O ATOM 925 CB VAL A 56 20.714 13.443 -3.165 1.00 4.24 C ATOM 926 CG1 VAL A 56 20.802 11.992 -2.716 1.00 41.41 C ATOM 927 CG2 VAL A 56 20.216 14.330 -2.034 1.00 4.34 C ATOM 0 H VAL A 56 21.890 12.425 -5.115 1.00 30.44 H new ATOM 0 HA VAL A 56 21.995 14.980 -3.975 1.00 22.44 H new ATOM 0 HB VAL A 56 19.998 13.502 -3.985 1.00 4.24 H new ATOM 0 HG11 VAL A 56 19.826 11.662 -2.360 1.00 41.41 H new ATOM 0 HG12 VAL A 56 21.112 11.370 -3.555 1.00 41.41 H new ATOM 0 HG13 VAL A 56 21.531 11.904 -1.911 1.00 41.41 H new ATOM 0 HG21 VAL A 56 19.249 13.968 -1.686 1.00 4.34 H new ATOM 0 HG22 VAL A 56 20.930 14.305 -1.211 1.00 4.34 H new ATOM 0 HG23 VAL A 56 20.112 15.354 -2.393 1.00 4.34 H new ATOM 937 N LYS A 57 23.855 12.724 -2.548 1.00 73.22 N ATOM 938 CA LYS A 57 24.870 12.491 -1.528 1.00 10.00 C ATOM 939 C LYS A 57 26.107 13.345 -1.787 1.00 22.22 C ATOM 940 O LYS A 57 26.819 13.719 -0.856 1.00 3.12 O ATOM 941 CB LYS A 57 25.257 11.011 -1.493 1.00 20.23 C ATOM 942 CG LYS A 57 26.541 10.736 -0.729 1.00 34.23 C ATOM 943 CD LYS A 57 26.439 11.196 0.716 1.00 63.01 C ATOM 944 CE LYS A 57 25.461 10.341 1.506 1.00 73.40 C ATOM 945 NZ LYS A 57 25.976 8.959 1.716 1.00 54.12 N ATOM 0 H LYS A 57 23.780 11.983 -3.245 1.00 73.22 H new ATOM 0 HA LYS A 57 24.451 12.773 -0.562 1.00 10.00 H new ATOM 0 HB2 LYS A 57 24.445 10.442 -1.039 1.00 20.23 H new ATOM 0 HB3 LYS A 57 25.367 10.649 -2.515 1.00 20.23 H new ATOM 0 HG2 LYS A 57 26.761 9.669 -0.757 1.00 34.23 H new ATOM 0 HG3 LYS A 57 27.372 11.246 -1.216 1.00 34.23 H new ATOM 0 HD2 LYS A 57 27.423 11.151 1.183 1.00 63.01 H new ATOM 0 HD3 LYS A 57 26.119 12.238 0.745 1.00 63.01 H new ATOM 0 HE2 LYS A 57 25.269 10.808 2.472 1.00 73.40 H new ATOM 0 HE3 LYS A 57 24.508 10.297 0.978 1.00 73.40 H new ATOM 0 HZ1 LYS A 57 25.387 8.472 2.421 1.00 54.12 H new ATOM 0 HZ2 LYS A 57 25.943 8.436 0.818 1.00 54.12 H new ATOM 0 HZ3 LYS A 57 26.958 9.002 2.056 1.00 54.12 H new ATOM 959 N GLU A 58 26.355 13.650 -3.057 1.00 23.42 N ATOM 960 CA GLU A 58 27.507 14.460 -3.436 1.00 54.12 C ATOM 961 C GLU A 58 27.384 15.875 -2.877 1.00 23.42 C ATOM 962 O GLU A 58 28.285 16.363 -2.194 1.00 42.44 O ATOM 963 CB GLU A 58 27.642 14.512 -4.959 1.00 51.25 C ATOM 964 CG GLU A 58 28.173 13.225 -5.568 1.00 2.23 C ATOM 965 CD GLU A 58 28.838 13.446 -6.913 1.00 14.43 C ATOM 966 OE1 GLU A 58 28.126 13.813 -7.872 1.00 5.12 O ATOM 967 OE2 GLU A 58 30.068 13.253 -7.007 1.00 34.24 O ATOM 0 H GLU A 58 25.775 13.349 -3.840 1.00 23.42 H new ATOM 0 HA GLU A 58 28.399 13.997 -3.015 1.00 54.12 H new ATOM 0 HB2 GLU A 58 26.668 14.735 -5.394 1.00 51.25 H new ATOM 0 HB3 GLU A 58 28.307 15.333 -5.228 1.00 51.25 H new ATOM 0 HG2 GLU A 58 28.890 12.772 -4.883 1.00 2.23 H new ATOM 0 HG3 GLU A 58 27.352 12.517 -5.685 1.00 2.23 H new ATOM 974 N ILE A 59 26.264 16.526 -3.171 1.00 44.15 N ATOM 975 CA ILE A 59 26.024 17.884 -2.698 1.00 32.50 C ATOM 976 C ILE A 59 26.107 17.958 -1.177 1.00 43.12 C ATOM 977 O ILE A 59 26.537 18.967 -0.617 1.00 12.43 O ATOM 978 CB ILE A 59 24.646 18.402 -3.151 1.00 43.04 C ATOM 979 CG1 ILE A 59 23.540 17.457 -2.678 1.00 22.21 C ATOM 980 CG2 ILE A 59 24.609 18.554 -4.665 1.00 23.53 C ATOM 981 CD1 ILE A 59 22.151 17.906 -3.075 1.00 22.45 C ATOM 0 H ILE A 59 25.509 16.135 -3.734 1.00 44.15 H new ATOM 0 HA ILE A 59 26.801 18.513 -3.134 1.00 32.50 H new ATOM 0 HB ILE A 59 24.477 19.381 -2.702 1.00 43.04 H new ATOM 0 HG12 ILE A 59 23.723 16.463 -3.087 1.00 22.21 H new ATOM 0 HG13 ILE A 59 23.588 17.369 -1.593 1.00 22.21 H new ATOM 0 HG21 ILE A 59 23.629 18.921 -4.970 1.00 23.53 H new ATOM 0 HG22 ILE A 59 25.375 19.263 -4.978 1.00 23.53 H new ATOM 0 HG23 ILE A 59 24.796 17.587 -5.132 1.00 23.53 H new ATOM 0 HD11 ILE A 59 21.418 17.189 -2.707 1.00 22.45 H new ATOM 0 HD12 ILE A 59 21.948 18.886 -2.644 1.00 22.45 H new ATOM 0 HD13 ILE A 59 22.085 17.967 -4.161 1.00 22.45 H new ATOM 993 N LEU A 60 25.696 16.883 -0.514 1.00 54.13 N ATOM 994 CA LEU A 60 25.725 16.825 0.943 1.00 24.11 C ATOM 995 C LEU A 60 27.144 17.026 1.467 1.00 14.42 C ATOM 996 O LEU A 60 27.370 17.810 2.389 1.00 13.14 O ATOM 997 CB LEU A 60 25.175 15.484 1.431 1.00 71.31 C ATOM 998 CG LEU A 60 23.652 15.353 1.457 1.00 34.12 C ATOM 999 CD1 LEU A 60 23.243 13.968 1.934 1.00 31.11 C ATOM 1000 CD2 LEU A 60 23.039 16.427 2.345 1.00 64.23 C ATOM 0 H LEU A 60 25.339 16.039 -0.962 1.00 54.13 H new ATOM 0 HA LEU A 60 25.097 17.629 1.327 1.00 24.11 H new ATOM 0 HB2 LEU A 60 25.577 14.696 0.794 1.00 71.31 H new ATOM 0 HB3 LEU A 60 25.552 15.304 2.438 1.00 71.31 H new ATOM 0 HG LEU A 60 23.278 15.491 0.443 1.00 34.12 H new ATOM 0 HD11 LEU A 60 22.156 13.894 1.946 1.00 31.11 H new ATOM 0 HD12 LEU A 60 23.651 13.216 1.259 1.00 31.11 H new ATOM 0 HD13 LEU A 60 23.629 13.801 2.940 1.00 31.11 H new ATOM 0 HD21 LEU A 60 21.954 16.318 2.352 1.00 64.23 H new ATOM 0 HD22 LEU A 60 23.420 16.321 3.361 1.00 64.23 H new ATOM 0 HD23 LEU A 60 23.303 17.412 1.960 1.00 64.23 H new ATOM 1012 N ASP A 61 28.095 16.316 0.872 1.00 61.20 N ATOM 1013 CA ASP A 61 29.492 16.419 1.276 1.00 24.13 C ATOM 1014 C ASP A 61 29.998 17.850 1.123 1.00 23.02 C ATOM 1015 O ASP A 61 30.931 18.266 1.811 1.00 13.51 O ATOM 1016 CB ASP A 61 30.357 15.468 0.447 1.00 30.23 C ATOM 1017 CG ASP A 61 31.679 15.152 1.120 1.00 54.14 C ATOM 1018 OD1 ASP A 61 31.725 14.190 1.914 1.00 73.20 O ATOM 1019 OD2 ASP A 61 32.667 15.868 0.852 1.00 33.21 O ATOM 0 H ASP A 61 27.924 15.662 0.108 1.00 61.20 H new ATOM 0 HA ASP A 61 29.562 16.138 2.327 1.00 24.13 H new ATOM 0 HB2 ASP A 61 29.810 14.541 0.274 1.00 30.23 H new ATOM 0 HB3 ASP A 61 30.547 15.913 -0.530 1.00 30.23 H new ATOM 1024 N TYR A 62 29.378 18.597 0.217 1.00 42.21 N ATOM 1025 CA TYR A 62 29.768 19.981 -0.029 1.00 72.42 C ATOM 1026 C TYR A 62 29.060 20.926 0.937 1.00 64.10 C ATOM 1027 O TYR A 62 29.547 22.021 1.221 1.00 23.21 O ATOM 1028 CB TYR A 62 29.447 20.374 -1.472 1.00 75.11 C ATOM 1029 CG TYR A 62 29.370 21.868 -1.690 1.00 11.24 C ATOM 1030 CD1 TYR A 62 30.502 22.666 -1.578 1.00 22.52 C ATOM 1031 CD2 TYR A 62 28.165 22.483 -2.008 1.00 31.41 C ATOM 1032 CE1 TYR A 62 30.436 24.031 -1.775 1.00 4.20 C ATOM 1033 CE2 TYR A 62 28.090 23.847 -2.208 1.00 40.52 C ATOM 1034 CZ TYR A 62 29.228 24.617 -2.090 1.00 43.41 C ATOM 1035 OH TYR A 62 29.159 25.977 -2.289 1.00 11.43 O ATOM 0 H TYR A 62 28.603 18.268 -0.359 1.00 42.21 H new ATOM 0 HA TYR A 62 30.843 20.064 0.133 1.00 72.42 H new ATOM 0 HB2 TYR A 62 30.209 19.958 -2.131 1.00 75.11 H new ATOM 0 HB3 TYR A 62 28.497 19.924 -1.759 1.00 75.11 H new ATOM 0 HD1 TYR A 62 31.450 22.211 -1.333 1.00 22.52 H new ATOM 0 HD2 TYR A 62 27.272 21.883 -2.100 1.00 31.41 H new ATOM 0 HE1 TYR A 62 31.326 24.636 -1.683 1.00 4.20 H new ATOM 0 HE2 TYR A 62 27.145 24.308 -2.455 1.00 40.52 H new ATOM 0 HH TYR A 62 28.237 26.230 -2.504 1.00 11.43 H new ATOM 1045 N HIS A 63 27.908 20.494 1.440 1.00 41.32 N ATOM 1046 CA HIS A 63 27.133 21.301 2.376 1.00 74.42 C ATOM 1047 C HIS A 63 27.921 21.554 3.657 1.00 32.03 C ATOM 1048 O HIS A 63 27.670 22.525 4.372 1.00 71.14 O ATOM 1049 CB HIS A 63 25.810 20.607 2.705 1.00 3.11 C ATOM 1050 CG HIS A 63 24.873 20.521 1.540 1.00 32.23 C ATOM 1051 ND1 HIS A 63 23.754 19.715 1.533 1.00 52.10 N ATOM 1052 CD2 HIS A 63 24.892 21.147 0.340 1.00 31.42 C ATOM 1053 CE1 HIS A 63 23.126 19.848 0.378 1.00 21.32 C ATOM 1054 NE2 HIS A 63 23.796 20.711 -0.364 1.00 1.15 N ATOM 0 H HIS A 63 27.491 19.591 1.216 1.00 41.32 H new ATOM 0 HA HIS A 63 26.924 22.261 1.904 1.00 74.42 H new ATOM 0 HB2 HIS A 63 26.018 19.601 3.069 1.00 3.11 H new ATOM 0 HB3 HIS A 63 25.319 21.144 3.517 1.00 3.11 H new ATOM 0 HD2 HIS A 63 25.631 21.857 -0.001 1.00 31.42 H new ATOM 0 HE1 HIS A 63 22.219 19.338 0.090 1.00 21.32 H new ATOM 0 HE2 HIS A 63 23.541 21.006 -1.307 1.00 1.15 H new ATOM 1062 N LYS A 64 28.875 20.674 3.943 1.00 15.12 N ATOM 1063 CA LYS A 64 29.700 20.802 5.138 1.00 25.40 C ATOM 1064 C LYS A 64 30.868 21.752 4.893 1.00 24.33 C ATOM 1065 O LYS A 64 31.382 22.372 5.824 1.00 31.13 O ATOM 1066 CB LYS A 64 30.226 19.430 5.568 1.00 3.32 C ATOM 1067 CG LYS A 64 31.706 19.232 5.290 1.00 61.55 C ATOM 1068 CD LYS A 64 32.105 17.770 5.410 1.00 11.32 C ATOM 1069 CE LYS A 64 32.261 17.353 6.865 1.00 44.54 C ATOM 1070 NZ LYS A 64 33.691 17.167 7.238 1.00 40.25 N ATOM 0 H LYS A 64 29.096 19.864 3.363 1.00 15.12 H new ATOM 0 HA LYS A 64 29.081 21.214 5.935 1.00 25.40 H new ATOM 0 HB2 LYS A 64 30.044 19.299 6.635 1.00 3.32 H new ATOM 0 HB3 LYS A 64 29.661 18.655 5.051 1.00 3.32 H new ATOM 0 HG2 LYS A 64 31.941 19.593 4.289 1.00 61.55 H new ATOM 0 HG3 LYS A 64 32.292 19.829 5.989 1.00 61.55 H new ATOM 0 HD2 LYS A 64 31.352 17.145 4.930 1.00 11.32 H new ATOM 0 HD3 LYS A 64 33.043 17.603 4.880 1.00 11.32 H new ATOM 0 HE2 LYS A 64 31.813 18.109 7.510 1.00 44.54 H new ATOM 0 HE3 LYS A 64 31.717 16.424 7.037 1.00 44.54 H new ATOM 0 HZ1 LYS A 64 33.755 16.883 8.236 1.00 40.25 H new ATOM 0 HZ2 LYS A 64 34.112 16.428 6.640 1.00 40.25 H new ATOM 0 HZ3 LYS A 64 34.205 18.060 7.098 1.00 40.25 H new ATOM 1084 N SER A 65 31.282 21.862 3.635 1.00 62.21 N ATOM 1085 CA SER A 65 32.391 22.735 3.269 1.00 62.25 C ATOM 1086 C SER A 65 32.054 24.194 3.562 1.00 22.52 C ATOM 1087 O SER A 65 32.793 24.883 4.265 1.00 4.13 O ATOM 1088 CB SER A 65 32.732 22.567 1.787 1.00 62.34 C ATOM 1089 OG SER A 65 32.430 21.257 1.339 1.00 33.41 O ATOM 0 H SER A 65 30.866 21.358 2.852 1.00 62.21 H new ATOM 0 HA SER A 65 33.256 22.452 3.869 1.00 62.25 H new ATOM 0 HB2 SER A 65 32.173 23.294 1.198 1.00 62.34 H new ATOM 0 HB3 SER A 65 33.790 22.774 1.629 1.00 62.34 H new ATOM 0 HG SER A 65 32.799 21.125 0.441 1.00 33.41 H new ATOM 1095 N ILE A 66 30.934 24.656 3.019 1.00 54.24 N ATOM 1096 CA ILE A 66 30.498 26.032 3.223 1.00 75.04 C ATOM 1097 C ILE A 66 29.735 26.178 4.535 1.00 3.22 C ATOM 1098 O ILE A 66 29.345 27.281 4.918 1.00 35.03 O ATOM 1099 CB ILE A 66 29.603 26.516 2.066 1.00 3.51 C ATOM 1100 CG1 ILE A 66 28.155 26.080 2.295 1.00 13.43 C ATOM 1101 CG2 ILE A 66 30.119 25.982 0.738 1.00 1.42 C ATOM 1102 CD1 ILE A 66 27.978 24.579 2.359 1.00 44.32 C ATOM 0 H ILE A 66 30.312 24.098 2.434 1.00 54.24 H new ATOM 0 HA ILE A 66 31.398 26.646 3.258 1.00 75.04 H new ATOM 0 HB ILE A 66 29.634 27.605 2.034 1.00 3.51 H new ATOM 0 HG12 ILE A 66 27.794 26.520 3.225 1.00 13.43 H new ATOM 0 HG13 ILE A 66 27.533 26.477 1.492 1.00 13.43 H new ATOM 0 HG21 ILE A 66 29.476 26.333 -0.070 1.00 1.42 H new ATOM 0 HG22 ILE A 66 31.136 26.338 0.573 1.00 1.42 H new ATOM 0 HG23 ILE A 66 30.115 24.892 0.758 1.00 1.42 H new ATOM 0 HD11 ILE A 66 26.927 24.343 2.523 1.00 44.32 H new ATOM 0 HD12 ILE A 66 28.307 24.133 1.420 1.00 44.32 H new ATOM 0 HD13 ILE A 66 28.572 24.177 3.180 1.00 44.32 H new ATOM 1114 N ARG A 67 29.529 25.059 5.221 1.00 20.22 N ATOM 1115 CA ARG A 67 28.814 25.062 6.492 1.00 42.12 C ATOM 1116 C ARG A 67 29.388 26.115 7.436 1.00 71.23 C ATOM 1117 O ARG A 67 28.647 26.803 8.139 1.00 44.34 O ATOM 1118 CB ARG A 67 28.887 23.681 7.146 1.00 41.11 C ATOM 1119 CG ARG A 67 28.233 23.621 8.517 1.00 51.14 C ATOM 1120 CD ARG A 67 29.225 23.948 9.622 1.00 32.30 C ATOM 1121 NE ARG A 67 29.126 23.013 10.740 1.00 63.45 N ATOM 1122 CZ ARG A 67 29.991 22.979 11.748 1.00 75.22 C ATOM 1123 NH1 ARG A 67 31.012 23.824 11.779 1.00 72.25 N ATOM 1124 NH2 ARG A 67 29.834 22.099 12.728 1.00 33.33 N ATOM 0 H ARG A 67 29.847 24.138 4.918 1.00 20.22 H new ATOM 0 HA ARG A 67 27.771 25.307 6.293 1.00 42.12 H new ATOM 0 HB2 ARG A 67 28.408 22.953 6.492 1.00 41.11 H new ATOM 0 HB3 ARG A 67 29.932 23.387 7.238 1.00 41.11 H new ATOM 0 HG2 ARG A 67 27.400 24.323 8.555 1.00 51.14 H new ATOM 0 HG3 ARG A 67 27.819 22.626 8.681 1.00 51.14 H new ATOM 0 HD2 ARG A 67 30.237 23.925 9.219 1.00 32.30 H new ATOM 0 HD3 ARG A 67 29.047 24.962 9.980 1.00 32.30 H new ATOM 0 HE ARG A 67 28.351 22.350 10.747 1.00 63.45 H new ATOM 0 HH11 ARG A 67 31.135 24.503 11.028 1.00 72.25 H new ATOM 0 HH12 ARG A 67 31.674 23.795 12.554 1.00 72.25 H new ATOM 0 HH21 ARG A 67 29.049 21.448 12.708 1.00 33.33 H new ATOM 0 HH22 ARG A 67 30.498 22.073 13.502 1.00 33.33 H new ATOM 1138 N HIS A 68 30.712 26.234 7.447 1.00 72.33 N ATOM 1139 CA HIS A 68 31.385 27.203 8.304 1.00 23.42 C ATOM 1140 C HIS A 68 30.790 28.596 8.122 1.00 62.41 C ATOM 1141 O HIS A 68 30.730 29.385 9.066 1.00 70.23 O ATOM 1142 CB HIS A 68 32.883 27.231 7.999 1.00 42.21 C ATOM 1143 CG HIS A 68 33.731 26.692 9.109 1.00 22.13 C ATOM 1144 ND1 HIS A 68 34.428 27.499 9.984 1.00 30.40 N ATOM 1145 CD2 HIS A 68 33.991 25.418 9.486 1.00 3.12 C ATOM 1146 CE1 HIS A 68 35.081 26.744 10.850 1.00 44.42 C ATOM 1147 NE2 HIS A 68 34.833 25.478 10.570 1.00 72.33 N ATOM 0 H HIS A 68 31.340 25.672 6.872 1.00 72.33 H new ATOM 0 HA HIS A 68 31.238 26.898 9.340 1.00 23.42 H new ATOM 0 HB2 HIS A 68 33.072 26.652 7.095 1.00 42.21 H new ATOM 0 HB3 HIS A 68 33.183 28.258 7.789 1.00 42.21 H new ATOM 0 HD2 HIS A 68 33.608 24.522 9.021 1.00 3.12 H new ATOM 0 HE1 HIS A 68 35.711 27.102 11.651 1.00 44.42 H new ATOM 0 HE2 HIS A 68 35.206 24.675 11.076 1.00 72.33 H new ATOM 1155 N LEU A 69 30.353 28.892 6.903 1.00 35.41 N ATOM 1156 CA LEU A 69 29.763 30.190 6.596 1.00 15.14 C ATOM 1157 C LEU A 69 28.305 30.245 7.042 1.00 32.30 C ATOM 1158 O LEU A 69 27.807 31.297 7.443 1.00 71.10 O ATOM 1159 CB LEU A 69 29.860 30.475 5.097 1.00 43.42 C ATOM 1160 CG LEU A 69 31.265 30.429 4.495 1.00 62.21 C ATOM 1161 CD1 LEU A 69 31.208 29.994 3.039 1.00 70.02 C ATOM 1162 CD2 LEU A 69 31.945 31.784 4.622 1.00 2.24 C ATOM 0 H LEU A 69 30.396 28.251 6.111 1.00 35.41 H new ATOM 0 HA LEU A 69 30.320 30.952 7.141 1.00 15.14 H new ATOM 0 HB2 LEU A 69 29.236 29.754 4.569 1.00 43.42 H new ATOM 0 HB3 LEU A 69 29.437 31.461 4.907 1.00 43.42 H new ATOM 0 HG LEU A 69 31.852 29.697 5.049 1.00 62.21 H new ATOM 0 HD11 LEU A 69 32.217 29.967 2.628 1.00 70.02 H new ATOM 0 HD12 LEU A 69 30.763 29.001 2.973 1.00 70.02 H new ATOM 0 HD13 LEU A 69 30.603 30.701 2.471 1.00 70.02 H new ATOM 0 HD21 LEU A 69 32.944 31.732 4.188 1.00 2.24 H new ATOM 0 HD22 LEU A 69 31.359 32.536 4.094 1.00 2.24 H new ATOM 0 HD23 LEU A 69 32.020 32.056 5.675 1.00 2.24 H new ATOM 1174 N ARG A 70 27.627 29.104 6.971 1.00 75.00 N ATOM 1175 CA ARG A 70 26.226 29.022 7.368 1.00 61.21 C ATOM 1176 C ARG A 70 26.088 29.065 8.887 1.00 61.21 C ATOM 1177 O ARG A 70 25.049 29.459 9.415 1.00 4.12 O ATOM 1178 CB ARG A 70 25.594 27.739 6.824 1.00 41.32 C ATOM 1179 CG ARG A 70 25.939 27.460 5.370 1.00 31.41 C ATOM 1180 CD ARG A 70 25.303 26.166 4.886 1.00 53.24 C ATOM 1181 NE ARG A 70 23.912 26.358 4.483 1.00 31.41 N ATOM 1182 CZ ARG A 70 23.240 25.495 3.729 1.00 51.24 C ATOM 1183 NH1 ARG A 70 23.828 24.388 3.297 1.00 30.03 N ATOM 1184 NH2 ARG A 70 21.977 25.740 3.404 1.00 34.54 N ATOM 0 H ARG A 70 28.025 28.224 6.643 1.00 75.00 H new ATOM 0 HA ARG A 70 25.704 29.882 6.948 1.00 61.21 H new ATOM 0 HB2 ARG A 70 25.920 26.896 7.434 1.00 41.32 H new ATOM 0 HB3 ARG A 70 24.511 27.806 6.925 1.00 41.32 H new ATOM 0 HG2 ARG A 70 25.599 28.289 4.749 1.00 31.41 H new ATOM 0 HG3 ARG A 70 27.021 27.400 5.257 1.00 31.41 H new ATOM 0 HD2 ARG A 70 25.874 25.774 4.044 1.00 53.24 H new ATOM 0 HD3 ARG A 70 25.351 25.419 5.679 1.00 53.24 H new ATOM 0 HE ARG A 70 23.431 27.200 4.798 1.00 31.41 H new ATOM 0 HH11 ARG A 70 24.799 24.197 3.543 1.00 30.03 H new ATOM 0 HH12 ARG A 70 23.309 23.727 2.718 1.00 30.03 H new ATOM 0 HH21 ARG A 70 21.522 26.591 3.733 1.00 34.54 H new ATOM 0 HH22 ARG A 70 21.462 25.077 2.825 1.00 34.54 H new