USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 496 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 24 THR OG1 : rot 117:sc= 1.2 USER MOD Set 1.2: A 40 HIS : no HE2:sc= 0.506 K(o=1.7,f=-7.8!) USER MOD Single : A 10 TYR OH : rot -170:sc= 0.577 USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00291 USER MOD Single : A 16 HIS : no HD1:sc= -6.83! C(o=-6.8!,f=-8.3!) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.0618 (180deg=-0.358) USER MOD Single : A 26 GLN : amide:sc= -7.39! C(o=-7.4!,f=-4.8!) USER MOD Single : A 29 ASN : amide:sc= -0.648 K(o=-0.65,f=-0.017) USER MOD Single : A 35 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.5!) USER MOD Single : A 41 THR OG1 : rot -71:sc= 1.25 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0773) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.132) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 42:sc= 0.0452 USER MOD Single : A 50 ASN : amide:sc= -9.09! C(o=-9.1!,f=-3.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -8.76! C(o=-8.8!,f=-4.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 57 LYS NZ :NH3+ -143:sc= 1.28 (180deg=0.105) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -106:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 70 N CYS A 6 9.250 -2.767 4.643 1.00 0.00 N ATOM 71 CA CYS A 6 8.017 -3.427 4.271 1.00 0.00 C ATOM 72 C CYS A 6 7.996 -4.916 4.621 1.00 0.00 C ATOM 73 O CYS A 6 9.034 -5.552 4.781 1.00 0.00 O ATOM 74 CB CYS A 6 7.809 -3.238 2.772 1.00 0.00 C ATOM 75 SG CYS A 6 8.836 -4.284 1.708 1.00 0.00 S ATOM 0 HA CYS A 6 7.208 -2.974 4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.761 -3.431 2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.003 -2.195 2.524 1.00 0.00 H new ATOM 80 N CYS A 7 6.781 -5.446 4.739 1.00 0.00 N ATOM 81 CA CYS A 7 6.549 -6.855 5.052 1.00 0.00 C ATOM 82 C CYS A 7 7.318 -7.779 4.110 1.00 0.00 C ATOM 83 O CYS A 7 7.094 -7.777 2.899 1.00 0.00 O ATOM 84 CB CYS A 7 5.060 -7.147 4.955 1.00 0.00 C ATOM 85 SG CYS A 7 4.553 -8.706 5.727 1.00 0.00 S ATOM 0 H CYS A 7 5.924 -4.907 4.619 1.00 0.00 H new ATOM 0 HA CYS A 7 6.908 -7.044 6.064 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.510 -6.329 5.421 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.773 -7.166 3.904 1.00 0.00 H new ATOM 90 N LEU A 8 8.213 -8.575 4.684 1.00 0.00 N ATOM 91 CA LEU A 8 9.058 -9.472 3.904 1.00 0.00 C ATOM 92 C LEU A 8 8.344 -10.784 3.609 1.00 0.00 C ATOM 93 O LEU A 8 8.757 -11.548 2.736 1.00 0.00 O ATOM 94 CB LEU A 8 10.359 -9.746 4.653 1.00 0.00 C ATOM 95 CG LEU A 8 11.174 -8.502 4.996 1.00 0.00 C ATOM 96 CD1 LEU A 8 12.386 -8.869 5.833 1.00 0.00 C ATOM 97 CD2 LEU A 8 11.596 -7.777 3.730 1.00 0.00 C ATOM 0 H LEU A 8 8.373 -8.617 5.691 1.00 0.00 H new ATOM 0 HA LEU A 8 9.281 -8.986 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.126 -10.276 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.976 -10.412 4.050 1.00 0.00 H new ATOM 0 HG LEU A 8 10.546 -7.831 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.953 -7.968 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.059 -9.342 6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.017 -9.561 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.176 -6.893 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.205 -8.441 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.710 -7.476 3.170 1.00 0.00 H new ATOM 109 N GLY A 9 7.272 -11.031 4.343 1.00 0.00 N ATOM 110 CA GLY A 9 6.499 -12.237 4.154 1.00 0.00 C ATOM 111 C GLY A 9 5.067 -11.920 3.794 1.00 0.00 C ATOM 112 O GLY A 9 4.302 -11.452 4.635 1.00 0.00 O ATOM 0 H GLY A 9 6.921 -10.411 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.949 -12.840 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.523 -12.834 5.066 1.00 0.00 H new ATOM 116 N TYR A 10 4.704 -12.174 2.548 1.00 0.00 N ATOM 117 CA TYR A 10 3.395 -11.793 2.038 1.00 0.00 C ATOM 118 C TYR A 10 2.316 -12.797 2.473 1.00 0.00 C ATOM 119 O TYR A 10 2.538 -13.635 3.349 1.00 0.00 O ATOM 120 CB TYR A 10 3.417 -11.700 0.509 1.00 0.00 C ATOM 121 CG TYR A 10 4.485 -10.797 -0.082 1.00 0.00 C ATOM 122 CD1 TYR A 10 5.816 -11.193 -0.085 1.00 0.00 C ATOM 123 CD2 TYR A 10 4.164 -9.575 -0.681 1.00 0.00 C ATOM 124 CE1 TYR A 10 6.795 -10.409 -0.659 1.00 0.00 C ATOM 125 CE2 TYR A 10 5.144 -8.786 -1.248 1.00 0.00 C ATOM 126 CZ TYR A 10 6.456 -9.210 -1.238 1.00 0.00 C ATOM 127 OH TYR A 10 7.426 -8.438 -1.829 1.00 0.00 O ATOM 0 H TYR A 10 5.300 -12.645 1.867 1.00 0.00 H new ATOM 0 HA TYR A 10 3.153 -10.815 2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.551 -12.703 0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.442 -11.348 0.171 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.090 -12.133 0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.136 -9.244 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.824 -10.736 -0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.884 -7.839 -1.698 1.00 0.00 H new ATOM 0 HH TYR A 10 7.056 -7.557 -2.045 1.00 0.00 H new ATOM 137 N THR A 11 1.150 -12.686 1.854 1.00 0.00 N ATOM 138 CA THR A 11 0.020 -13.559 2.143 1.00 0.00 C ATOM 139 C THR A 11 -0.471 -14.226 0.851 1.00 0.00 C ATOM 140 O THR A 11 -0.017 -13.875 -0.236 1.00 0.00 O ATOM 141 CB THR A 11 -1.122 -12.736 2.786 1.00 0.00 C ATOM 142 OG1 THR A 11 -2.149 -13.593 3.303 1.00 0.00 O ATOM 143 CG2 THR A 11 -1.731 -11.775 1.773 1.00 0.00 C ATOM 0 H THR A 11 0.960 -11.987 1.136 1.00 0.00 H new ATOM 0 HA THR A 11 0.335 -14.336 2.840 1.00 0.00 H new ATOM 0 HB THR A 11 -0.690 -12.166 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.858 -13.049 3.705 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.532 -11.207 2.246 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.963 -11.090 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.135 -12.340 0.933 1.00 0.00 H new ATOM 151 N ASP A 12 -1.373 -15.195 0.968 1.00 0.00 N ATOM 152 CA ASP A 12 -1.995 -15.803 -0.206 1.00 0.00 C ATOM 153 C ASP A 12 -3.497 -15.916 -0.008 1.00 0.00 C ATOM 154 O ASP A 12 -4.019 -16.965 0.363 1.00 0.00 O ATOM 155 CB ASP A 12 -1.403 -17.181 -0.511 1.00 0.00 C ATOM 156 CG ASP A 12 -1.961 -17.776 -1.792 1.00 0.00 C ATOM 157 OD1 ASP A 12 -1.521 -17.354 -2.884 1.00 0.00 O ATOM 158 OD2 ASP A 12 -2.823 -18.685 -1.717 1.00 0.00 O ATOM 0 H ASP A 12 -1.690 -15.576 1.860 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.791 -15.155 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.319 -17.099 -0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.609 -17.855 0.320 1.00 0.00 H new ATOM 163 N ARG A 13 -4.178 -14.798 -0.172 1.00 0.00 N ATOM 164 CA ARG A 13 -5.627 -14.763 -0.089 1.00 0.00 C ATOM 165 C ARG A 13 -6.209 -13.987 -1.242 1.00 0.00 C ATOM 166 O ARG A 13 -5.478 -13.471 -2.080 1.00 0.00 O ATOM 167 CB ARG A 13 -6.082 -14.110 1.211 1.00 0.00 C ATOM 168 CG ARG A 13 -5.706 -14.913 2.445 1.00 0.00 C ATOM 169 CD ARG A 13 -6.225 -14.286 3.724 1.00 0.00 C ATOM 170 NE ARG A 13 -6.066 -15.195 4.856 1.00 0.00 N ATOM 171 CZ ARG A 13 -6.086 -14.829 6.134 1.00 0.00 C ATOM 172 NH1 ARG A 13 -6.185 -13.549 6.469 1.00 0.00 N ATOM 173 NH2 ARG A 13 -5.982 -15.745 7.082 1.00 0.00 N ATOM 0 H ARG A 13 -3.747 -13.894 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.978 -15.794 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.642 -13.115 1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.164 -13.979 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.103 -15.924 2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.621 -15.001 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.689 -13.357 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.277 -14.028 3.605 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.929 -16.185 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.247 -12.835 5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.200 -13.279 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.887 -16.729 6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.997 -15.467 8.063 1.00 0.00 H new ATOM 187 N ILE A 14 -7.525 -13.910 -1.272 1.00 0.00 N ATOM 188 CA ILE A 14 -8.214 -12.945 -2.102 1.00 0.00 C ATOM 189 C ILE A 14 -9.017 -12.021 -1.195 1.00 0.00 C ATOM 190 O ILE A 14 -10.197 -12.261 -0.929 1.00 0.00 O ATOM 191 CB ILE A 14 -9.165 -13.610 -3.121 1.00 0.00 C ATOM 192 CG1 ILE A 14 -8.403 -14.532 -4.074 1.00 0.00 C ATOM 193 CG2 ILE A 14 -9.923 -12.547 -3.911 1.00 0.00 C ATOM 194 CD1 ILE A 14 -7.926 -13.832 -5.327 1.00 0.00 C ATOM 0 H ILE A 14 -8.142 -14.511 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.466 -12.394 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.879 -14.217 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.544 -14.954 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.046 -15.366 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.589 -13.031 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.509 -11.933 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.213 -11.916 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.393 -14.542 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.783 -13.434 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.257 -13.015 -5.055 1.00 0.00 H new ATOM 206 N LEU A 15 -8.357 -11.006 -0.660 1.00 0.00 N ATOM 207 CA LEU A 15 -9.030 -10.024 0.179 1.00 0.00 C ATOM 208 C LEU A 15 -9.764 -9.039 -0.709 1.00 0.00 C ATOM 209 O LEU A 15 -9.476 -8.928 -1.895 1.00 0.00 O ATOM 210 CB LEU A 15 -8.044 -9.281 1.093 1.00 0.00 C ATOM 211 CG LEU A 15 -7.423 -10.101 2.227 1.00 0.00 C ATOM 212 CD1 LEU A 15 -8.460 -11.002 2.881 1.00 0.00 C ATOM 213 CD2 LEU A 15 -6.236 -10.898 1.717 1.00 0.00 C ATOM 0 H LEU A 15 -7.359 -10.840 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.736 -10.547 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.238 -8.884 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.560 -8.427 1.531 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.062 -9.413 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.992 -11.573 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.265 -10.392 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.867 -11.687 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.806 -11.475 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.564 -11.575 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.484 -10.216 1.320 1.00 0.00 H new ATOM 225 N HIS A 16 -10.747 -8.361 -0.166 1.00 0.00 N ATOM 226 CA HIS A 16 -11.573 -7.489 -0.978 1.00 0.00 C ATOM 227 C HIS A 16 -11.730 -6.132 -0.334 1.00 0.00 C ATOM 228 O HIS A 16 -11.287 -5.918 0.789 1.00 0.00 O ATOM 229 CB HIS A 16 -12.962 -8.086 -1.146 1.00 0.00 C ATOM 230 CG HIS A 16 -13.000 -9.414 -1.792 1.00 0.00 C ATOM 231 ND1 HIS A 16 -14.126 -10.178 -1.781 1.00 0.00 N ATOM 232 CD2 HIS A 16 -12.060 -10.128 -2.459 1.00 0.00 C ATOM 233 CE1 HIS A 16 -13.901 -11.295 -2.407 1.00 0.00 C ATOM 234 NE2 HIS A 16 -12.658 -11.302 -2.837 1.00 0.00 N ATOM 0 H HIS A 16 -10.995 -8.393 0.823 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.080 -7.384 -1.944 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.428 -8.164 -0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.568 -7.396 -1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.040 -9.830 -2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.619 -12.089 -2.551 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.214 -12.054 -3.363 1.00 0.00 H new ATOM 243 N PRO A 17 -12.401 -5.204 -1.032 1.00 0.00 N ATOM 244 CA PRO A 17 -12.900 -3.985 -0.406 1.00 0.00 C ATOM 245 C PRO A 17 -13.809 -4.356 0.771 1.00 0.00 C ATOM 246 O PRO A 17 -13.973 -3.599 1.724 1.00 0.00 O ATOM 247 CB PRO A 17 -13.712 -3.309 -1.513 1.00 0.00 C ATOM 248 CG PRO A 17 -13.200 -3.879 -2.793 1.00 0.00 C ATOM 249 CD PRO A 17 -12.704 -5.264 -2.476 1.00 0.00 C ATOM 0 HA PRO A 17 -12.110 -3.342 -0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.777 -3.507 -1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.584 -2.227 -1.487 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.988 -3.912 -3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -12.397 -3.263 -3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.458 -6.020 -2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.819 -5.516 -3.061 1.00 0.00 H new ATOM 257 N LYS A 18 -14.377 -5.562 0.662 1.00 0.00 N ATOM 258 CA LYS A 18 -15.205 -6.189 1.695 1.00 0.00 C ATOM 259 C LYS A 18 -14.540 -6.151 3.075 1.00 0.00 C ATOM 260 O LYS A 18 -15.223 -6.087 4.099 1.00 0.00 O ATOM 261 CB LYS A 18 -15.468 -7.661 1.309 1.00 0.00 C ATOM 262 CG LYS A 18 -16.373 -7.862 0.101 1.00 0.00 C ATOM 263 CD LYS A 18 -16.783 -9.321 -0.026 1.00 0.00 C ATOM 264 CE LYS A 18 -17.791 -9.543 -1.142 1.00 0.00 C ATOM 265 NZ LYS A 18 -19.020 -8.727 -0.958 1.00 0.00 N ATOM 0 H LYS A 18 -14.270 -6.143 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.137 -5.627 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.511 -8.145 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.912 -8.171 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.261 -7.237 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.856 -7.544 -0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.898 -9.930 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.210 -9.660 0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.332 -9.295 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.060 -10.599 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.777 -9.097 -1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.322 -8.774 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.822 -7.738 -1.213 1.00 0.00 H new ATOM 279 N PHE A 19 -13.213 -6.205 3.103 1.00 0.00 N ATOM 280 CA PHE A 19 -12.492 -6.311 4.365 1.00 0.00 C ATOM 281 C PHE A 19 -11.474 -5.191 4.544 1.00 0.00 C ATOM 282 O PHE A 19 -10.788 -5.139 5.562 1.00 0.00 O ATOM 283 CB PHE A 19 -11.769 -7.656 4.451 1.00 0.00 C ATOM 284 CG PHE A 19 -12.681 -8.852 4.432 1.00 0.00 C ATOM 285 CD1 PHE A 19 -13.131 -9.381 3.232 1.00 0.00 C ATOM 286 CD2 PHE A 19 -13.074 -9.453 5.615 1.00 0.00 C ATOM 287 CE1 PHE A 19 -13.961 -10.487 3.216 1.00 0.00 C ATOM 288 CE2 PHE A 19 -13.899 -10.560 5.606 1.00 0.00 C ATOM 289 CZ PHE A 19 -14.344 -11.078 4.406 1.00 0.00 C ATOM 0 H PHE A 19 -12.619 -6.177 2.274 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.233 -6.229 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.070 -7.733 3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.178 -7.679 5.366 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.830 -8.925 2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.731 -9.051 6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.309 -10.888 2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -14.196 -11.020 6.537 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.990 -11.943 4.397 1.00 0.00 H new ATOM 299 N ILE A 20 -11.378 -4.292 3.574 1.00 0.00 N ATOM 300 CA ILE A 20 -10.345 -3.267 3.602 1.00 0.00 C ATOM 301 C ILE A 20 -10.906 -1.898 3.960 1.00 0.00 C ATOM 302 O ILE A 20 -11.907 -1.455 3.398 1.00 0.00 O ATOM 303 CB ILE A 20 -9.562 -3.207 2.276 1.00 0.00 C ATOM 304 CG1 ILE A 20 -8.337 -4.106 2.395 1.00 0.00 C ATOM 305 CG2 ILE A 20 -9.137 -1.787 1.918 1.00 0.00 C ATOM 306 CD1 ILE A 20 -8.641 -5.589 2.362 1.00 0.00 C ATOM 0 H ILE A 20 -11.997 -4.252 2.765 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.648 -3.553 4.390 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.216 -3.551 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.649 -3.871 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.821 -3.874 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.589 -1.798 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.021 -1.157 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.497 -1.389 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.713 -6.153 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.302 -5.843 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.127 -5.840 1.419 1.00 0.00 H new ATOM 318 N VAL A 21 -10.266 -1.250 4.924 1.00 0.00 N ATOM 319 CA VAL A 21 -10.627 0.107 5.308 1.00 0.00 C ATOM 320 C VAL A 21 -9.418 1.030 5.204 1.00 0.00 C ATOM 321 O VAL A 21 -9.534 2.243 5.370 1.00 0.00 O ATOM 322 CB VAL A 21 -11.198 0.175 6.744 1.00 0.00 C ATOM 323 CG1 VAL A 21 -12.497 -0.618 6.852 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.175 -0.320 7.759 1.00 0.00 C ATOM 0 H VAL A 21 -9.491 -1.645 5.456 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.405 0.434 4.618 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.420 1.218 6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.878 -0.555 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.234 -0.205 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.308 -1.661 6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.600 -0.263 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.911 -1.354 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.281 0.302 7.708 1.00 0.00 H new ATOM 334 N GLY A 22 -8.263 0.448 4.914 1.00 0.00 N ATOM 335 CA GLY A 22 -7.047 1.220 4.830 1.00 0.00 C ATOM 336 C GLY A 22 -6.045 0.572 3.902 1.00 0.00 C ATOM 337 O GLY A 22 -6.165 -0.611 3.593 1.00 0.00 O ATOM 0 H GLY A 22 -8.150 -0.550 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.276 2.225 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.611 1.324 5.824 1.00 0.00 H new ATOM 341 N PHE A 23 -5.056 1.333 3.464 1.00 0.00 N ATOM 342 CA PHE A 23 -4.074 0.855 2.514 1.00 0.00 C ATOM 343 C PHE A 23 -2.799 1.692 2.599 1.00 0.00 C ATOM 344 O PHE A 23 -2.851 2.918 2.688 1.00 0.00 O ATOM 345 CB PHE A 23 -4.708 0.901 1.136 1.00 0.00 C ATOM 346 CG PHE A 23 -3.752 1.160 0.048 1.00 0.00 C ATOM 347 CD1 PHE A 23 -3.045 0.129 -0.522 1.00 0.00 C ATOM 348 CD2 PHE A 23 -3.563 2.444 -0.392 1.00 0.00 C ATOM 349 CE1 PHE A 23 -2.149 0.380 -1.523 1.00 0.00 C ATOM 350 CE2 PHE A 23 -2.672 2.706 -1.397 1.00 0.00 C ATOM 351 CZ PHE A 23 -1.965 1.664 -1.962 1.00 0.00 C ATOM 0 H PHE A 23 -4.914 2.299 3.759 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.779 -0.171 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.211 -0.047 0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.474 1.676 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.198 -0.883 -0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.120 3.253 0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.589 -0.430 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.524 3.718 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.261 1.863 -2.757 1.00 0.00 H new ATOM 361 N THR A 24 -1.672 1.006 2.633 1.00 0.00 N ATOM 362 CA THR A 24 -0.367 1.638 2.661 1.00 0.00 C ATOM 363 C THR A 24 0.554 0.914 1.687 1.00 0.00 C ATOM 364 O THR A 24 0.770 -0.286 1.814 1.00 0.00 O ATOM 365 CB THR A 24 0.239 1.596 4.079 1.00 0.00 C ATOM 366 OG1 THR A 24 -0.664 2.222 5.003 1.00 0.00 O ATOM 367 CG2 THR A 24 1.588 2.299 4.128 1.00 0.00 C ATOM 0 H THR A 24 -1.637 -0.013 2.642 1.00 0.00 H new ATOM 0 HA THR A 24 -0.476 2.683 2.371 1.00 0.00 H new ATOM 0 HB THR A 24 0.392 0.552 4.354 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.972 1.561 5.658 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.987 2.251 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.279 1.809 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.466 3.342 3.835 1.00 0.00 H new ATOM 375 N ARG A 25 1.075 1.624 0.700 1.00 0.00 N ATOM 376 CA ARG A 25 1.894 0.986 -0.320 1.00 0.00 C ATOM 377 C ARG A 25 3.367 1.061 0.067 1.00 0.00 C ATOM 378 O ARG A 25 3.829 2.084 0.562 1.00 0.00 O ATOM 379 CB ARG A 25 1.655 1.641 -1.686 1.00 0.00 C ATOM 380 CG ARG A 25 2.206 3.058 -1.804 1.00 0.00 C ATOM 381 CD ARG A 25 1.733 3.748 -3.075 1.00 0.00 C ATOM 382 NE ARG A 25 0.358 4.241 -2.956 1.00 0.00 N ATOM 383 CZ ARG A 25 -0.539 4.191 -3.936 1.00 0.00 C ATOM 384 NH1 ARG A 25 -0.228 3.666 -5.113 1.00 0.00 N ATOM 385 NH2 ARG A 25 -1.754 4.688 -3.737 1.00 0.00 N ATOM 0 H ARG A 25 0.949 2.629 0.583 1.00 0.00 H new ATOM 0 HA ARG A 25 1.610 -0.064 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.110 1.021 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.583 1.662 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.895 3.641 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.295 3.026 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.398 4.581 -3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.797 3.051 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 25 0.071 4.648 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.708 3.295 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.925 3.633 -5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.994 5.104 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.448 4.653 -4.484 1.00 0.00 H new ATOM 399 N GLN A 26 4.085 -0.037 -0.127 1.00 0.00 N ATOM 400 CA GLN A 26 5.506 -0.084 0.179 1.00 0.00 C ATOM 401 C GLN A 26 6.312 -0.424 -1.061 1.00 0.00 C ATOM 402 O GLN A 26 6.116 -1.479 -1.669 1.00 0.00 O ATOM 403 CB GLN A 26 5.767 -1.115 1.268 1.00 0.00 C ATOM 404 CG GLN A 26 5.176 -0.733 2.604 1.00 0.00 C ATOM 405 CD GLN A 26 5.060 -1.910 3.539 1.00 0.00 C ATOM 406 OE1 GLN A 26 5.171 -1.770 4.754 1.00 0.00 O ATOM 407 NE2 GLN A 26 4.836 -3.088 2.980 1.00 0.00 N ATOM 0 H GLN A 26 3.704 -0.908 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 26 5.817 0.899 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.355 -2.075 0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.843 -1.251 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.796 0.035 3.066 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.189 -0.296 2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.750 -3.163 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.749 -3.921 3.563 1.00 0.00 H new ATOM 416 N LEU A 27 7.211 0.469 -1.420 1.00 0.00 N ATOM 417 CA LEU A 27 8.054 0.301 -2.591 1.00 0.00 C ATOM 418 C LEU A 27 9.459 -0.139 -2.195 1.00 0.00 C ATOM 419 O LEU A 27 9.856 -0.038 -1.030 1.00 0.00 O ATOM 420 CB LEU A 27 8.135 1.610 -3.392 1.00 0.00 C ATOM 421 CG LEU A 27 6.914 1.962 -4.255 1.00 0.00 C ATOM 422 CD1 LEU A 27 5.701 2.296 -3.396 1.00 0.00 C ATOM 423 CD2 LEU A 27 7.243 3.128 -5.179 1.00 0.00 C ATOM 0 H LEU A 27 7.380 1.335 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 27 7.605 -0.474 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.305 2.428 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.009 1.559 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 27 6.666 1.087 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.856 2.540 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.448 1.437 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.930 3.150 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.370 3.369 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.521 3.997 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.073 2.853 -5.830 1.00 0.00 H new ATOM 435 N ALA A 28 10.214 -0.598 -3.185 1.00 0.00 N ATOM 436 CA ALA A 28 11.563 -1.100 -2.976 1.00 0.00 C ATOM 437 C ALA A 28 12.605 -0.010 -3.209 1.00 0.00 C ATOM 438 O ALA A 28 13.783 -0.300 -3.423 1.00 0.00 O ATOM 439 CB ALA A 28 11.815 -2.273 -3.910 1.00 0.00 C ATOM 0 H ALA A 28 9.906 -0.632 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 28 11.653 -1.428 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.826 -2.651 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.096 -3.065 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.705 -1.945 -4.944 1.00 0.00 H new ATOM 445 N ASN A 29 12.169 1.241 -3.180 1.00 0.00 N ATOM 446 CA ASN A 29 13.081 2.359 -3.388 1.00 0.00 C ATOM 447 C ASN A 29 12.774 3.519 -2.443 1.00 0.00 C ATOM 448 O ASN A 29 13.425 4.564 -2.495 1.00 0.00 O ATOM 449 CB ASN A 29 13.027 2.836 -4.845 1.00 0.00 C ATOM 450 CG ASN A 29 11.652 3.324 -5.272 1.00 0.00 C ATOM 451 OD1 ASN A 29 11.314 4.493 -5.106 1.00 0.00 O ATOM 452 ND2 ASN A 29 10.851 2.433 -5.838 1.00 0.00 N ATOM 0 H ASN A 29 11.198 1.507 -3.016 1.00 0.00 H new ATOM 0 HA ASN A 29 14.088 2.004 -3.168 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.749 3.641 -4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 29 13.333 2.019 -5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.921 2.710 -6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.165 1.470 -5.960 1.00 0.00 H new ATOM 459 N GLU A 30 11.788 3.342 -1.570 1.00 0.00 N ATOM 460 CA GLU A 30 11.453 4.381 -0.602 1.00 0.00 C ATOM 461 C GLU A 30 12.063 4.055 0.758 1.00 0.00 C ATOM 462 O GLU A 30 12.283 4.940 1.585 1.00 0.00 O ATOM 463 CB GLU A 30 9.939 4.550 -0.471 1.00 0.00 C ATOM 464 CG GLU A 30 9.237 3.345 0.128 1.00 0.00 C ATOM 465 CD GLU A 30 7.747 3.557 0.275 1.00 0.00 C ATOM 466 OE1 GLU A 30 7.341 4.414 1.084 1.00 0.00 O ATOM 467 OE2 GLU A 30 6.983 2.862 -0.412 1.00 0.00 O ATOM 0 H GLU A 30 11.214 2.501 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 30 11.869 5.321 -0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.733 5.423 0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.519 4.751 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.416 2.474 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.668 3.126 1.105 1.00 0.00 H new ATOM 474 N GLY A 31 12.363 2.786 0.966 1.00 0.00 N ATOM 475 CA GLY A 31 12.914 2.348 2.223 1.00 0.00 C ATOM 476 C GLY A 31 13.129 0.856 2.229 1.00 0.00 C ATOM 477 O GLY A 31 14.230 0.380 2.485 1.00 0.00 O ATOM 0 H GLY A 31 12.232 2.045 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.861 2.856 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.242 2.625 3.035 1.00 0.00 H new ATOM 481 N CYS A 32 12.073 0.118 1.923 1.00 0.00 N ATOM 482 CA CYS A 32 12.162 -1.327 1.843 1.00 0.00 C ATOM 483 C CYS A 32 13.004 -1.731 0.638 1.00 0.00 C ATOM 484 O CYS A 32 13.145 -0.957 -0.307 1.00 0.00 O ATOM 485 CB CYS A 32 10.773 -1.943 1.724 1.00 0.00 C ATOM 486 SG CYS A 32 10.737 -3.722 2.123 1.00 0.00 S ATOM 0 H CYS A 32 11.147 0.498 1.727 1.00 0.00 H new ATOM 0 HA CYS A 32 12.633 -1.694 2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.090 -1.414 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.404 -1.798 0.709 1.00 0.00 H new ATOM 491 N ASP A 33 13.568 -2.928 0.678 1.00 0.00 N ATOM 492 CA ASP A 33 14.306 -3.455 -0.463 1.00 0.00 C ATOM 493 C ASP A 33 13.362 -4.217 -1.379 1.00 0.00 C ATOM 494 O ASP A 33 13.638 -4.419 -2.561 1.00 0.00 O ATOM 495 CB ASP A 33 15.446 -4.361 0.007 1.00 0.00 C ATOM 496 CG ASP A 33 16.289 -4.890 -1.138 1.00 0.00 C ATOM 497 OD1 ASP A 33 15.967 -5.970 -1.680 1.00 0.00 O ATOM 498 OD2 ASP A 33 17.300 -4.242 -1.487 1.00 0.00 O ATOM 0 H ASP A 33 13.530 -3.552 1.484 1.00 0.00 H new ATOM 0 HA ASP A 33 14.741 -2.623 -1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 33 16.084 -3.807 0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.030 -5.201 0.564 1.00 0.00 H new ATOM 503 N ILE A 34 12.230 -4.619 -0.826 1.00 0.00 N ATOM 504 CA ILE A 34 11.207 -5.281 -1.610 1.00 0.00 C ATOM 505 C ILE A 34 9.954 -4.411 -1.624 1.00 0.00 C ATOM 506 O ILE A 34 9.955 -3.315 -1.066 1.00 0.00 O ATOM 507 CB ILE A 34 10.892 -6.704 -1.081 1.00 0.00 C ATOM 508 CG1 ILE A 34 9.920 -6.671 0.093 1.00 0.00 C ATOM 509 CG2 ILE A 34 12.181 -7.389 -0.649 1.00 0.00 C ATOM 510 CD1 ILE A 34 9.526 -8.040 0.587 1.00 0.00 C ATOM 0 H ILE A 34 11.999 -4.498 0.160 1.00 0.00 H new ATOM 0 HA ILE A 34 11.578 -5.408 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 34 10.423 -7.261 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.372 -6.114 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.022 -6.128 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.955 -8.389 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.857 -7.462 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 34 12.655 -6.807 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.833 -7.940 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.044 -8.593 -0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.415 -8.578 0.915 1.00 0.00 H new ATOM 522 N ASN A 35 8.899 -4.865 -2.271 1.00 0.00 N ATOM 523 CA ASN A 35 7.671 -4.086 -2.334 1.00 0.00 C ATOM 524 C ASN A 35 6.478 -4.938 -1.937 1.00 0.00 C ATOM 525 O ASN A 35 6.304 -6.051 -2.423 1.00 0.00 O ATOM 526 CB ASN A 35 7.484 -3.479 -3.735 1.00 0.00 C ATOM 527 CG ASN A 35 7.596 -4.501 -4.851 1.00 0.00 C ATOM 528 OD1 ASN A 35 6.603 -5.092 -5.270 1.00 0.00 O ATOM 529 ND2 ASN A 35 8.808 -4.707 -5.351 1.00 0.00 N ATOM 0 H ASN A 35 8.863 -5.761 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 35 7.745 -3.263 -1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.507 -2.999 -3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.231 -2.700 -3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.940 -5.376 -6.110 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.608 -4.197 -4.976 1.00 0.00 H new ATOM 536 N ALA A 36 5.686 -4.420 -1.012 1.00 0.00 N ATOM 537 CA ALA A 36 4.490 -5.099 -0.551 1.00 0.00 C ATOM 538 C ALA A 36 3.378 -4.092 -0.308 1.00 0.00 C ATOM 539 O ALA A 36 3.597 -3.052 0.318 1.00 0.00 O ATOM 540 CB ALA A 36 4.766 -5.876 0.729 1.00 0.00 C ATOM 0 H ALA A 36 5.855 -3.520 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 36 4.180 -5.802 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.854 -6.376 1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.541 -6.619 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.101 -5.189 1.507 1.00 0.00 H new ATOM 546 N ILE A 37 2.197 -4.389 -0.808 1.00 0.00 N ATOM 547 CA ILE A 37 1.037 -3.556 -0.567 1.00 0.00 C ATOM 548 C ILE A 37 0.433 -3.904 0.791 1.00 0.00 C ATOM 549 O ILE A 37 0.146 -5.062 1.061 1.00 0.00 O ATOM 550 CB ILE A 37 -0.022 -3.757 -1.671 1.00 0.00 C ATOM 551 CG1 ILE A 37 0.543 -3.360 -3.043 1.00 0.00 C ATOM 552 CG2 ILE A 37 -1.281 -2.962 -1.362 1.00 0.00 C ATOM 553 CD1 ILE A 37 1.030 -1.926 -3.114 1.00 0.00 C ATOM 0 H ILE A 37 2.014 -5.208 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 37 1.351 -2.512 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.285 -4.814 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.369 -4.027 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.227 -3.510 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.014 -3.119 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.697 -3.295 -0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.036 -1.902 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.414 -1.721 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.203 -1.250 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.823 -1.775 -2.382 1.00 0.00 H new ATOM 565 N ILE A 38 0.270 -2.924 1.658 1.00 0.00 N ATOM 566 CA ILE A 38 -0.326 -3.171 2.959 1.00 0.00 C ATOM 567 C ILE A 38 -1.797 -2.792 2.958 1.00 0.00 C ATOM 568 O ILE A 38 -2.147 -1.616 3.033 1.00 0.00 O ATOM 569 CB ILE A 38 0.394 -2.399 4.083 1.00 0.00 C ATOM 570 CG1 ILE A 38 1.864 -2.813 4.159 1.00 0.00 C ATOM 571 CG2 ILE A 38 -0.294 -2.631 5.422 1.00 0.00 C ATOM 572 CD1 ILE A 38 2.077 -4.267 4.520 1.00 0.00 C ATOM 0 H ILE A 38 0.539 -1.955 1.488 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.220 -4.238 3.153 1.00 0.00 H new ATOM 0 HB ILE A 38 0.345 -1.335 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.336 -2.615 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.369 -2.189 4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.230 -2.077 6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.327 -2.287 5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.278 -3.695 5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.145 -4.481 4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.636 -4.468 5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.603 -4.901 3.771 1.00 0.00 H new ATOM 584 N PHE A 39 -2.653 -3.790 2.856 1.00 0.00 N ATOM 585 CA PHE A 39 -4.082 -3.566 2.989 1.00 0.00 C ATOM 586 C PHE A 39 -4.467 -3.667 4.456 1.00 0.00 C ATOM 587 O PHE A 39 -4.200 -4.673 5.113 1.00 0.00 O ATOM 588 CB PHE A 39 -4.899 -4.568 2.160 1.00 0.00 C ATOM 589 CG PHE A 39 -4.803 -4.378 0.668 1.00 0.00 C ATOM 590 CD1 PHE A 39 -4.875 -3.114 0.095 1.00 0.00 C ATOM 591 CD2 PHE A 39 -4.642 -5.475 -0.159 1.00 0.00 C ATOM 592 CE1 PHE A 39 -4.787 -2.956 -1.281 1.00 0.00 C ATOM 593 CE2 PHE A 39 -4.551 -5.325 -1.526 1.00 0.00 C ATOM 594 CZ PHE A 39 -4.622 -4.070 -2.092 1.00 0.00 C ATOM 0 H PHE A 39 -2.387 -4.759 2.682 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.308 -2.570 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.568 -5.577 2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.946 -4.495 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.001 -2.247 0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.587 -6.463 0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.847 -1.970 -1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.424 -6.193 -2.156 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.549 -3.954 -3.163 1.00 0.00 H new ATOM 604 N HIS A 40 -5.076 -2.614 4.971 1.00 0.00 N ATOM 605 CA HIS A 40 -5.468 -2.577 6.370 1.00 0.00 C ATOM 606 C HIS A 40 -6.896 -3.065 6.497 1.00 0.00 C ATOM 607 O HIS A 40 -7.827 -2.419 6.009 1.00 0.00 O ATOM 608 CB HIS A 40 -5.349 -1.161 6.950 1.00 0.00 C ATOM 609 CG HIS A 40 -3.979 -0.564 6.837 1.00 0.00 C ATOM 610 ND1 HIS A 40 -3.243 -0.144 7.921 1.00 0.00 N ATOM 611 CD2 HIS A 40 -3.234 -0.272 5.748 1.00 0.00 C ATOM 612 CE1 HIS A 40 -2.102 0.372 7.501 1.00 0.00 C ATOM 613 NE2 HIS A 40 -2.073 0.309 6.186 1.00 0.00 N ATOM 0 H HIS A 40 -5.310 -1.773 4.443 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.797 -3.225 6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -6.060 -0.511 6.440 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.637 -1.186 8.001 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -3.533 -0.219 8.896 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.504 -0.462 4.720 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.324 0.777 8.130 1.00 0.00 H new ATOM 622 N THR A 41 -7.062 -4.213 7.128 1.00 0.00 N ATOM 623 CA THR A 41 -8.370 -4.828 7.251 1.00 0.00 C ATOM 624 C THR A 41 -9.227 -4.120 8.284 1.00 0.00 C ATOM 625 O THR A 41 -8.718 -3.407 9.154 1.00 0.00 O ATOM 626 CB THR A 41 -8.262 -6.319 7.621 1.00 0.00 C ATOM 627 OG1 THR A 41 -7.437 -6.482 8.784 1.00 0.00 O ATOM 628 CG2 THR A 41 -7.690 -7.120 6.464 1.00 0.00 C ATOM 0 H THR A 41 -6.305 -4.739 7.564 1.00 0.00 H new ATOM 0 HA THR A 41 -8.845 -4.737 6.274 1.00 0.00 H new ATOM 0 HB THR A 41 -9.263 -6.691 7.839 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.503 -6.295 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.622 -8.170 6.747 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.340 -7.019 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.696 -6.746 6.218 1.00 0.00 H new ATOM 636 N LYS A 42 -10.534 -4.334 8.188 1.00 0.00 N ATOM 637 CA LYS A 42 -11.476 -3.843 9.183 1.00 0.00 C ATOM 638 C LYS A 42 -11.329 -4.657 10.470 1.00 0.00 C ATOM 639 O LYS A 42 -12.099 -4.503 11.417 1.00 0.00 O ATOM 640 CB LYS A 42 -12.905 -3.953 8.642 1.00 0.00 C ATOM 641 CG LYS A 42 -13.919 -3.103 9.400 1.00 0.00 C ATOM 642 CD LYS A 42 -15.349 -3.413 8.976 1.00 0.00 C ATOM 643 CE LYS A 42 -15.756 -4.828 9.365 1.00 0.00 C ATOM 644 NZ LYS A 42 -15.876 -5.001 10.841 1.00 0.00 N ATOM 0 H LYS A 42 -10.967 -4.850 7.422 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.265 -2.796 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.910 -3.658 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.219 -4.996 8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.812 -3.278 10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.710 -2.047 9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.029 -2.698 9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.444 -3.290 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.709 -5.071 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.021 -5.534 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.299 -5.928 11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.932 -4.946 11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.480 -4.249 11.231 1.00 0.00 H new ATOM 658 N LYS A 43 -10.332 -5.538 10.479 1.00 0.00 N ATOM 659 CA LYS A 43 -10.016 -6.336 11.643 1.00 0.00 C ATOM 660 C LYS A 43 -8.737 -5.830 12.301 1.00 0.00 C ATOM 661 O LYS A 43 -8.160 -6.501 13.156 1.00 0.00 O ATOM 662 CB LYS A 43 -9.884 -7.820 11.277 1.00 0.00 C ATOM 663 CG LYS A 43 -11.218 -8.515 11.040 1.00 0.00 C ATOM 664 CD LYS A 43 -11.826 -8.147 9.696 1.00 0.00 C ATOM 665 CE LYS A 43 -13.258 -8.644 9.576 1.00 0.00 C ATOM 666 NZ LYS A 43 -13.377 -10.093 9.879 1.00 0.00 N ATOM 0 H LYS A 43 -9.726 -5.713 9.677 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.837 -6.239 12.354 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.273 -7.910 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.353 -8.336 12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.077 -9.595 11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.912 -8.247 11.837 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.804 -7.065 9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.224 -8.574 8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.895 -8.079 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.623 -8.455 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.323 -10.428 9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.657 -10.620 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.235 -10.248 10.898 1.00 0.00 H new ATOM 680 N LYS A 44 -8.300 -4.641 11.873 1.00 0.00 N ATOM 681 CA LYS A 44 -7.157 -3.947 12.477 1.00 0.00 C ATOM 682 C LYS A 44 -5.836 -4.675 12.212 1.00 0.00 C ATOM 683 O LYS A 44 -4.837 -4.436 12.897 1.00 0.00 O ATOM 684 CB LYS A 44 -7.370 -3.763 13.985 1.00 0.00 C ATOM 685 CG LYS A 44 -8.603 -2.945 14.330 1.00 0.00 C ATOM 686 CD LYS A 44 -8.820 -2.864 15.833 1.00 0.00 C ATOM 687 CE LYS A 44 -10.064 -2.056 16.179 1.00 0.00 C ATOM 688 NZ LYS A 44 -10.296 -2.000 17.648 1.00 0.00 N ATOM 0 H LYS A 44 -8.728 -4.133 11.099 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.092 -2.966 12.006 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.452 -4.743 14.454 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.492 -3.278 14.411 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.499 -1.939 13.922 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.479 -3.391 13.859 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.914 -3.870 16.242 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.948 -2.409 16.303 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.960 -1.044 15.789 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.932 -2.498 15.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.151 -1.442 17.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.420 -2.964 18.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.479 -1.555 18.112 1.00 0.00 H new ATOM 702 N LEU A 45 -5.821 -5.538 11.202 1.00 0.00 N ATOM 703 CA LEU A 45 -4.617 -6.281 10.851 1.00 0.00 C ATOM 704 C LEU A 45 -4.082 -5.841 9.491 1.00 0.00 C ATOM 705 O LEU A 45 -4.845 -5.655 8.537 1.00 0.00 O ATOM 706 CB LEU A 45 -4.892 -7.786 10.845 1.00 0.00 C ATOM 707 CG LEU A 45 -5.257 -8.388 12.204 1.00 0.00 C ATOM 708 CD1 LEU A 45 -5.527 -9.879 12.064 1.00 0.00 C ATOM 709 CD2 LEU A 45 -4.149 -8.137 13.218 1.00 0.00 C ATOM 0 H LEU A 45 -6.629 -5.740 10.613 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.861 -6.067 11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.704 -7.988 10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.009 -8.299 10.464 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.164 -7.903 12.565 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.785 -10.295 13.038 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.354 -10.036 11.371 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.635 -10.376 11.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.428 -8.573 14.177 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.224 -8.595 12.867 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.001 -7.064 13.337 1.00 0.00 H new ATOM 721 N SER A 46 -2.771 -5.663 9.416 1.00 0.00 N ATOM 722 CA SER A 46 -2.120 -5.269 8.180 1.00 0.00 C ATOM 723 C SER A 46 -1.826 -6.491 7.314 1.00 0.00 C ATOM 724 O SER A 46 -1.061 -7.378 7.701 1.00 0.00 O ATOM 725 CB SER A 46 -0.832 -4.506 8.500 1.00 0.00 C ATOM 726 OG SER A 46 -0.121 -5.127 9.560 1.00 0.00 O ATOM 0 H SER A 46 -2.135 -5.787 10.204 1.00 0.00 H new ATOM 0 HA SER A 46 -2.787 -4.615 7.618 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.202 -4.462 7.612 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.072 -3.478 8.772 1.00 0.00 H new ATOM 0 HG SER A 46 -0.144 -6.100 9.443 1.00 0.00 H new ATOM 732 N VAL A 47 -2.460 -6.546 6.154 1.00 0.00 N ATOM 733 CA VAL A 47 -2.262 -7.649 5.227 1.00 0.00 C ATOM 734 C VAL A 47 -1.107 -7.354 4.282 1.00 0.00 C ATOM 735 O VAL A 47 -1.081 -6.310 3.630 1.00 0.00 O ATOM 736 CB VAL A 47 -3.540 -7.919 4.408 1.00 0.00 C ATOM 737 CG1 VAL A 47 -3.305 -8.984 3.347 1.00 0.00 C ATOM 738 CG2 VAL A 47 -4.678 -8.330 5.323 1.00 0.00 C ATOM 0 H VAL A 47 -3.118 -5.837 5.831 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.027 -8.536 5.815 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.811 -6.994 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.226 -9.150 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.522 -8.652 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.999 -9.914 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.573 -8.517 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.403 -9.237 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.877 -7.531 6.038 1.00 0.00 H new ATOM 748 N CYS A 48 -0.151 -8.273 4.212 1.00 0.00 N ATOM 749 CA CYS A 48 0.978 -8.112 3.318 1.00 0.00 C ATOM 750 C CYS A 48 0.584 -8.576 1.925 1.00 0.00 C ATOM 751 O CYS A 48 0.845 -9.714 1.524 1.00 0.00 O ATOM 752 CB CYS A 48 2.196 -8.882 3.831 1.00 0.00 C ATOM 753 SG CYS A 48 2.534 -8.622 5.604 1.00 0.00 S ATOM 0 H CYS A 48 -0.139 -9.132 4.763 1.00 0.00 H new ATOM 0 HA CYS A 48 1.255 -7.059 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.044 -9.946 3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.072 -8.584 3.256 1.00 0.00 H new ATOM 758 N ALA A 49 -0.091 -7.690 1.215 1.00 0.00 N ATOM 759 CA ALA A 49 -0.637 -7.987 -0.090 1.00 0.00 C ATOM 760 C ALA A 49 0.471 -8.094 -1.123 1.00 0.00 C ATOM 761 O ALA A 49 1.379 -7.264 -1.166 1.00 0.00 O ATOM 762 CB ALA A 49 -1.640 -6.912 -0.482 1.00 0.00 C ATOM 0 H ALA A 49 -0.275 -6.739 1.533 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.149 -8.948 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.050 -7.138 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.447 -6.884 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.142 -5.943 -0.511 1.00 0.00 H new ATOM 768 N ASN A 50 0.397 -9.126 -1.947 1.00 0.00 N ATOM 769 CA ASN A 50 1.415 -9.361 -2.957 1.00 0.00 C ATOM 770 C ASN A 50 1.141 -8.465 -4.142 1.00 0.00 C ATOM 771 O ASN A 50 0.055 -8.501 -4.705 1.00 0.00 O ATOM 772 CB ASN A 50 1.419 -10.812 -3.458 1.00 0.00 C ATOM 773 CG ASN A 50 1.590 -11.875 -2.388 1.00 0.00 C ATOM 774 OD1 ASN A 50 2.189 -12.916 -2.640 1.00 0.00 O ATOM 775 ND2 ASN A 50 1.063 -11.643 -1.196 1.00 0.00 N ATOM 0 H ASN A 50 -0.356 -9.814 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 50 2.382 -9.152 -2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.483 -10.999 -3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.222 -10.924 -4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.149 -12.340 -0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.571 -10.768 -1.018 1.00 0.00 H new ATOM 782 N PRO A 51 2.107 -7.649 -4.547 1.00 0.00 N ATOM 783 CA PRO A 51 1.974 -6.834 -5.756 1.00 0.00 C ATOM 784 C PRO A 51 1.901 -7.696 -7.023 1.00 0.00 C ATOM 785 O PRO A 51 1.739 -7.187 -8.133 1.00 0.00 O ATOM 786 CB PRO A 51 3.239 -5.969 -5.753 1.00 0.00 C ATOM 787 CG PRO A 51 3.752 -6.040 -4.353 1.00 0.00 C ATOM 788 CD PRO A 51 3.374 -7.401 -3.851 1.00 0.00 C ATOM 0 HA PRO A 51 1.055 -6.248 -5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.976 -6.345 -6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.015 -4.941 -6.040 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.832 -5.898 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.311 -5.258 -3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.127 -8.149 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.253 -7.416 -2.768 1.00 0.00 H new ATOM 796 N LYS A 52 1.978 -9.008 -6.820 1.00 0.00 N ATOM 797 CA LYS A 52 2.024 -9.988 -7.899 1.00 0.00 C ATOM 798 C LYS A 52 0.626 -10.360 -8.390 1.00 0.00 C ATOM 799 O LYS A 52 0.442 -10.764 -9.537 1.00 0.00 O ATOM 800 CB LYS A 52 2.705 -11.252 -7.380 1.00 0.00 C ATOM 801 CG LYS A 52 4.099 -11.021 -6.819 1.00 0.00 C ATOM 802 CD LYS A 52 4.588 -12.238 -6.039 1.00 0.00 C ATOM 803 CE LYS A 52 4.674 -13.480 -6.912 1.00 0.00 C ATOM 804 NZ LYS A 52 5.061 -14.691 -6.135 1.00 0.00 N ATOM 0 H LYS A 52 2.011 -9.425 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 52 2.574 -9.549 -8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.081 -11.695 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.767 -11.977 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.791 -10.806 -7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.092 -10.147 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.569 -12.025 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.913 -12.428 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.711 -13.651 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.401 -13.313 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.107 -15.512 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.992 -14.540 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.354 -14.868 -5.393 1.00 0.00 H new ATOM 818 N GLN A 53 -0.356 -10.208 -7.518 1.00 0.00 N ATOM 819 CA GLN A 53 -1.685 -10.768 -7.745 1.00 0.00 C ATOM 820 C GLN A 53 -2.683 -9.696 -8.180 1.00 0.00 C ATOM 821 O GLN A 53 -2.616 -8.551 -7.737 1.00 0.00 O ATOM 822 CB GLN A 53 -2.148 -11.479 -6.474 1.00 0.00 C ATOM 823 CG GLN A 53 -1.706 -10.756 -5.217 1.00 0.00 C ATOM 824 CD GLN A 53 -1.879 -11.563 -3.953 1.00 0.00 C ATOM 825 OE1 GLN A 53 -1.831 -12.789 -3.964 1.00 0.00 O ATOM 826 NE2 GLN A 53 -2.069 -10.868 -2.844 1.00 0.00 N ATOM 0 H GLN A 53 -0.260 -9.699 -6.639 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.632 -11.488 -8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.235 -11.560 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.753 -12.495 -6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.657 -10.480 -5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.272 -9.829 -5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.102 -9.849 -2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.182 -11.351 -1.953 1.00 0.00 H new ATOM 835 N THR A 54 -3.615 -10.093 -9.039 1.00 0.00 N ATOM 836 CA THR A 54 -4.532 -9.165 -9.683 1.00 0.00 C ATOM 837 C THR A 54 -5.575 -8.595 -8.734 1.00 0.00 C ATOM 838 O THR A 54 -5.988 -7.452 -8.899 1.00 0.00 O ATOM 839 CB THR A 54 -5.232 -9.840 -10.867 1.00 0.00 C ATOM 840 OG1 THR A 54 -5.441 -11.225 -10.572 1.00 0.00 O ATOM 841 CG2 THR A 54 -4.411 -9.696 -12.140 1.00 0.00 C ATOM 0 H THR A 54 -3.755 -11.067 -9.307 1.00 0.00 H new ATOM 0 HA THR A 54 -3.924 -8.330 -10.032 1.00 0.00 H new ATOM 0 HB THR A 54 -6.193 -9.351 -11.028 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.890 -11.656 -11.329 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.930 -10.184 -12.965 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.278 -8.639 -12.369 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.436 -10.162 -11.999 1.00 0.00 H new ATOM 849 N TRP A 55 -6.005 -9.368 -7.740 1.00 0.00 N ATOM 850 CA TRP A 55 -6.972 -8.851 -6.772 1.00 0.00 C ATOM 851 C TRP A 55 -6.359 -7.691 -5.997 1.00 0.00 C ATOM 852 O TRP A 55 -7.042 -6.737 -5.635 1.00 0.00 O ATOM 853 CB TRP A 55 -7.476 -9.945 -5.837 1.00 0.00 C ATOM 854 CG TRP A 55 -6.475 -10.393 -4.849 1.00 0.00 C ATOM 855 CD1 TRP A 55 -5.583 -11.375 -4.982 1.00 0.00 C ATOM 856 CD2 TRP A 55 -6.277 -9.852 -3.578 1.00 0.00 C ATOM 857 NE1 TRP A 55 -4.842 -11.497 -3.855 1.00 0.00 N ATOM 858 CE2 TRP A 55 -5.251 -10.559 -2.964 1.00 0.00 C ATOM 859 CE3 TRP A 55 -6.879 -8.841 -2.914 1.00 0.00 C ATOM 860 CZ2 TRP A 55 -4.811 -10.263 -1.684 1.00 0.00 C ATOM 861 CZ3 TRP A 55 -6.466 -8.542 -1.674 1.00 0.00 C ATOM 862 CH2 TRP A 55 -5.441 -9.239 -1.053 1.00 0.00 C ATOM 0 H TRP A 55 -5.709 -10.332 -7.584 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.841 -8.484 -7.318 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.357 -9.581 -5.308 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.793 -10.801 -6.432 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.468 -11.987 -5.864 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -4.100 -12.180 -3.702 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.680 -8.282 -3.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -4.011 -10.816 -1.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.946 -7.734 -1.143 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.139 -8.964 -0.053 1.00 0.00 H new ATOM 873 N VAL A 56 -5.054 -7.776 -5.784 1.00 0.00 N ATOM 874 CA VAL A 56 -4.306 -6.698 -5.170 1.00 0.00 C ATOM 875 C VAL A 56 -4.216 -5.513 -6.116 1.00 0.00 C ATOM 876 O VAL A 56 -4.464 -4.374 -5.722 1.00 0.00 O ATOM 877 CB VAL A 56 -2.895 -7.173 -4.783 1.00 0.00 C ATOM 878 CG1 VAL A 56 -1.932 -6.014 -4.652 1.00 0.00 C ATOM 879 CG2 VAL A 56 -2.947 -7.946 -3.488 1.00 0.00 C ATOM 0 H VAL A 56 -4.491 -8.590 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.829 -6.388 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.532 -7.821 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.946 -6.389 -4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.867 -5.485 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.288 -5.331 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.944 -8.278 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.339 -7.306 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.596 -8.813 -3.608 1.00 0.00 H new ATOM 889 N LYS A 57 -3.873 -5.798 -7.368 1.00 0.00 N ATOM 890 CA LYS A 57 -3.783 -4.768 -8.391 1.00 0.00 C ATOM 891 C LYS A 57 -5.121 -4.049 -8.530 1.00 0.00 C ATOM 892 O LYS A 57 -5.169 -2.834 -8.660 1.00 0.00 O ATOM 893 CB LYS A 57 -3.370 -5.373 -9.735 1.00 0.00 C ATOM 894 CG LYS A 57 -2.048 -6.130 -9.705 1.00 0.00 C ATOM 895 CD LYS A 57 -1.737 -6.737 -11.065 1.00 0.00 C ATOM 896 CE LYS A 57 -0.547 -7.684 -11.013 1.00 0.00 C ATOM 897 NZ LYS A 57 0.724 -6.987 -10.687 1.00 0.00 N ATOM 0 H LYS A 57 -3.653 -6.738 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.022 -4.049 -8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.155 -6.050 -10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.301 -4.574 -10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.244 -5.454 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.093 -6.918 -8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.612 -7.275 -11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.533 -5.939 -11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.735 -8.457 -10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.445 -8.187 -11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.503 -7.414 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.641 -5.980 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.919 -7.078 -9.669 1.00 0.00 H new ATOM 911 N TYR A 58 -6.204 -4.812 -8.473 1.00 0.00 N ATOM 912 CA TYR A 58 -7.542 -4.263 -8.579 1.00 0.00 C ATOM 913 C TYR A 58 -7.841 -3.310 -7.423 1.00 0.00 C ATOM 914 O TYR A 58 -8.230 -2.161 -7.638 1.00 0.00 O ATOM 915 CB TYR A 58 -8.558 -5.408 -8.612 1.00 0.00 C ATOM 916 CG TYR A 58 -9.970 -5.012 -8.267 1.00 0.00 C ATOM 917 CD1 TYR A 58 -10.632 -4.017 -8.969 1.00 0.00 C ATOM 918 CD2 TYR A 58 -10.639 -5.644 -7.231 1.00 0.00 C ATOM 919 CE1 TYR A 58 -11.927 -3.662 -8.646 1.00 0.00 C ATOM 920 CE2 TYR A 58 -11.932 -5.303 -6.904 1.00 0.00 C ATOM 921 CZ TYR A 58 -12.575 -4.310 -7.610 1.00 0.00 C ATOM 922 OH TYR A 58 -13.868 -3.968 -7.282 1.00 0.00 O ATOM 0 H TYR A 58 -6.177 -5.824 -8.352 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.614 -3.689 -9.503 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.553 -5.850 -9.608 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.233 -6.183 -7.918 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.128 -3.512 -9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.137 -6.418 -6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.431 -2.883 -9.199 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -12.440 -5.811 -6.098 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.173 -4.521 -6.533 1.00 0.00 H new ATOM 932 N ILE A 59 -7.643 -3.786 -6.201 1.00 0.00 N ATOM 933 CA ILE A 59 -7.937 -2.984 -5.020 1.00 0.00 C ATOM 934 C ILE A 59 -7.044 -1.746 -4.953 1.00 0.00 C ATOM 935 O ILE A 59 -7.519 -0.654 -4.638 1.00 0.00 O ATOM 936 CB ILE A 59 -7.812 -3.805 -3.714 1.00 0.00 C ATOM 937 CG1 ILE A 59 -8.782 -4.982 -3.739 1.00 0.00 C ATOM 938 CG2 ILE A 59 -8.106 -2.931 -2.503 1.00 0.00 C ATOM 939 CD1 ILE A 59 -8.613 -5.928 -2.575 1.00 0.00 C ATOM 0 H ILE A 59 -7.282 -4.719 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.974 -2.661 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.791 -4.179 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.803 -4.601 -3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.646 -5.535 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.013 -3.525 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.396 -2.104 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.119 -2.536 -2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.335 -6.740 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.603 -6.338 -2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.778 -5.390 -1.642 1.00 0.00 H new ATOM 951 N VAL A 60 -5.761 -1.900 -5.283 1.00 0.00 N ATOM 952 CA VAL A 60 -4.831 -0.770 -5.233 1.00 0.00 C ATOM 953 C VAL A 60 -5.160 0.267 -6.319 1.00 0.00 C ATOM 954 O VAL A 60 -4.851 1.447 -6.168 1.00 0.00 O ATOM 955 CB VAL A 60 -3.339 -1.204 -5.344 1.00 0.00 C ATOM 956 CG1 VAL A 60 -3.020 -1.780 -6.714 1.00 0.00 C ATOM 957 CG2 VAL A 60 -2.408 -0.037 -5.032 1.00 0.00 C ATOM 0 H VAL A 60 -5.346 -2.782 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.962 -0.316 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.177 -1.989 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.970 -2.071 -6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.645 -2.654 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.216 -1.029 -7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.372 -0.365 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.590 0.773 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.595 0.317 -4.018 1.00 0.00 H new ATOM 967 N ARG A 61 -5.797 -0.165 -7.414 1.00 0.00 N ATOM 968 CA ARG A 61 -6.259 0.776 -8.436 1.00 0.00 C ATOM 969 C ARG A 61 -7.358 1.656 -7.872 1.00 0.00 C ATOM 970 O ARG A 61 -7.343 2.873 -8.050 1.00 0.00 O ATOM 971 CB ARG A 61 -6.778 0.061 -9.693 1.00 0.00 C ATOM 972 CG ARG A 61 -5.728 -0.711 -10.482 1.00 0.00 C ATOM 973 CD ARG A 61 -4.607 0.177 -11.014 1.00 0.00 C ATOM 974 NE ARG A 61 -3.762 0.708 -9.944 1.00 0.00 N ATOM 975 CZ ARG A 61 -2.541 1.201 -10.137 1.00 0.00 C ATOM 976 NH1 ARG A 61 -1.956 1.112 -11.329 1.00 0.00 N ATOM 977 NH2 ARG A 61 -1.886 1.747 -9.125 1.00 0.00 N ATOM 0 H ARG A 61 -6.001 -1.145 -7.612 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.401 1.383 -8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.568 -0.630 -9.398 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.232 0.802 -10.351 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.299 -1.485 -9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.210 -1.218 -11.318 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.992 -0.395 -11.709 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.039 1.004 -11.577 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.131 0.700 -8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.444 0.663 -12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.020 1.493 -11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.317 1.789 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.950 2.126 -9.268 1.00 0.00 H new ATOM 991 N LEU A 62 -8.298 1.032 -7.172 1.00 0.00 N ATOM 992 CA LEU A 62 -9.406 1.754 -6.562 1.00 0.00 C ATOM 993 C LEU A 62 -8.916 2.630 -5.416 1.00 0.00 C ATOM 994 O LEU A 62 -9.408 3.738 -5.207 1.00 0.00 O ATOM 995 CB LEU A 62 -10.472 0.778 -6.055 1.00 0.00 C ATOM 996 CG LEU A 62 -11.191 -0.036 -7.133 1.00 0.00 C ATOM 997 CD1 LEU A 62 -12.265 -0.902 -6.501 1.00 0.00 C ATOM 998 CD2 LEU A 62 -11.798 0.881 -8.184 1.00 0.00 C ATOM 0 H LEU A 62 -8.314 0.025 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.850 2.394 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.002 0.086 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.217 1.342 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.463 -0.681 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.771 -1.478 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.808 -1.583 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.989 -0.268 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.304 0.282 -8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.516 1.551 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.009 1.468 -8.654 1.00 0.00 H new ATOM 1010 N LEU A 63 -7.930 2.130 -4.681 1.00 0.00 N ATOM 1011 CA LEU A 63 -7.368 2.854 -3.548 1.00 0.00 C ATOM 1012 C LEU A 63 -6.518 4.041 -3.995 1.00 0.00 C ATOM 1013 O LEU A 63 -6.255 4.956 -3.214 1.00 0.00 O ATOM 1014 CB LEU A 63 -6.575 1.899 -2.674 1.00 0.00 C ATOM 1015 CG LEU A 63 -7.460 0.915 -1.909 1.00 0.00 C ATOM 1016 CD1 LEU A 63 -6.630 -0.163 -1.260 1.00 0.00 C ATOM 1017 CD2 LEU A 63 -8.293 1.636 -0.860 1.00 0.00 C ATOM 0 H LEU A 63 -7.501 1.220 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.189 3.267 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.875 1.342 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.981 2.474 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.134 0.449 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.283 -0.850 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.080 -0.710 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.926 0.290 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.914 0.914 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.633 2.136 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.930 2.375 -1.346 1.00 0.00 H new ATOM 1029 N SER A 64 -6.098 4.030 -5.254 1.00 0.00 N ATOM 1030 CA SER A 64 -5.396 5.171 -5.833 1.00 0.00 C ATOM 1031 C SER A 64 -6.367 6.096 -6.566 1.00 0.00 C ATOM 1032 O SER A 64 -6.013 7.210 -6.940 1.00 0.00 O ATOM 1033 CB SER A 64 -4.295 4.708 -6.795 1.00 0.00 C ATOM 1034 OG SER A 64 -3.099 4.392 -6.105 1.00 0.00 O ATOM 0 H SER A 64 -6.230 3.246 -5.893 1.00 0.00 H new ATOM 0 HA SER A 64 -4.936 5.723 -5.013 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.638 3.834 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.097 5.491 -7.527 1.00 0.00 H new ATOM 0 HG SER A 64 -2.437 5.098 -6.258 1.00 0.00 H new