USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 36 SER OG : rot 95:sc= 0.251 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.835 K(o=-0.58,f=-11!) USER MOD Set 2.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 31 ASN :FLIP amide:sc= -1.39 F(o=-1.9,f=-1.4) USER MOD Single : A 7 THR OG1 : rot -18:sc= 1.45 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 13 MET CE :methyl -107:sc= -2.04 (180deg=-4.6!) USER MOD Single : A 18 CYS SG : rot 120:sc= -1.42 USER MOD Single : A 19 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.034) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0777 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.148) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.149) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 91:sc= 1.06 USER MOD Single : A 49 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.02) USER MOD Single : A 55 THR OG1 : rot 78:sc= -0.415 USER MOD Single : A 56 MET CE :methyl -149:sc= -0.571 (180deg=-0.864) USER MOD Single : A 57 ASN : amide:sc= -1.41 K(o=-1.4,f=-4!) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 0.248 (180deg=-0.0553) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -100:sc= -0.0389 (180deg=-0.909) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 0.505 (180deg=0.324) USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 5.600 8.860 10.103 1.00 0.00 N ATOM 102 CA THR A 7 6.472 7.806 9.600 1.00 0.00 C ATOM 103 C THR A 7 5.651 6.647 9.040 1.00 0.00 C ATOM 104 O THR A 7 4.421 6.674 9.067 1.00 0.00 O ATOM 105 CB THR A 7 7.395 7.304 10.713 1.00 0.00 C ATOM 106 OG1 THR A 7 6.816 7.533 11.985 1.00 0.00 O ATOM 107 CG2 THR A 7 8.756 7.965 10.702 1.00 0.00 C ATOM 0 HA THR A 7 7.080 8.221 8.796 1.00 0.00 H new ATOM 0 HB THR A 7 7.524 6.238 10.525 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.106 8.204 11.905 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.361 7.565 11.515 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.249 7.766 9.751 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.639 9.041 10.832 1.00 0.00 H new ATOM 115 N LYS A 8 6.341 5.632 8.527 1.00 0.00 N ATOM 116 CA LYS A 8 5.680 4.463 7.951 1.00 0.00 C ATOM 117 C LYS A 8 4.652 3.873 8.914 1.00 0.00 C ATOM 118 O LYS A 8 3.591 3.411 8.496 1.00 0.00 O ATOM 119 CB LYS A 8 6.716 3.399 7.584 1.00 0.00 C ATOM 120 CG LYS A 8 7.434 3.675 6.272 1.00 0.00 C ATOM 121 CD LYS A 8 6.827 2.882 5.127 1.00 0.00 C ATOM 122 CE LYS A 8 7.330 1.447 5.115 1.00 0.00 C ATOM 123 NZ LYS A 8 7.554 0.948 3.730 1.00 0.00 N ATOM 0 H LYS A 8 7.360 5.595 8.498 1.00 0.00 H new ATOM 0 HA LYS A 8 5.157 4.786 7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.453 3.330 8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.222 2.429 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.383 4.740 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.489 3.421 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.741 2.887 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.072 3.363 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.261 1.384 5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.608 0.805 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.896 -0.033 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.660 0.984 3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.262 1.545 3.256 1.00 0.00 H new ATOM 137 N THR A 9 4.979 3.886 10.200 1.00 0.00 N ATOM 138 CA THR A 9 4.088 3.344 11.220 1.00 0.00 C ATOM 139 C THR A 9 2.973 4.326 11.574 1.00 0.00 C ATOM 140 O THR A 9 1.881 3.918 11.971 1.00 0.00 O ATOM 141 CB THR A 9 4.882 2.984 12.480 1.00 0.00 C ATOM 142 OG1 THR A 9 6.122 3.669 12.507 1.00 0.00 O ATOM 143 CG2 THR A 9 5.171 1.503 12.600 1.00 0.00 C ATOM 0 H THR A 9 5.854 4.265 10.562 1.00 0.00 H new ATOM 0 HA THR A 9 3.628 2.445 10.811 1.00 0.00 H new ATOM 0 HB THR A 9 4.250 3.284 13.316 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.612 3.426 13.320 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.736 1.315 13.513 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.232 0.951 12.634 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.754 1.175 11.739 1.00 0.00 H new ATOM 151 N ASP A 10 3.253 5.619 11.442 1.00 0.00 N ATOM 152 CA ASP A 10 2.268 6.648 11.769 1.00 0.00 C ATOM 153 C ASP A 10 0.962 6.441 11.005 1.00 0.00 C ATOM 154 O ASP A 10 -0.116 6.435 11.600 1.00 0.00 O ATOM 155 CB ASP A 10 2.832 8.036 11.464 1.00 0.00 C ATOM 156 CG ASP A 10 3.502 8.665 12.671 1.00 0.00 C ATOM 157 OD1 ASP A 10 2.926 8.589 13.776 1.00 0.00 O ATOM 158 OD2 ASP A 10 4.604 9.232 12.510 1.00 0.00 O ATOM 0 H ASP A 10 4.149 5.979 11.113 1.00 0.00 H new ATOM 0 HA ASP A 10 2.052 6.569 12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.552 7.962 10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.027 8.685 11.119 1.00 0.00 H new ATOM 163 N TYR A 11 1.057 6.274 9.690 1.00 0.00 N ATOM 164 CA TYR A 11 -0.130 6.071 8.866 1.00 0.00 C ATOM 165 C TYR A 11 -0.656 4.646 9.004 1.00 0.00 C ATOM 166 O TYR A 11 -1.865 4.420 8.999 1.00 0.00 O ATOM 167 CB TYR A 11 0.167 6.378 7.395 1.00 0.00 C ATOM 168 CG TYR A 11 -0.152 7.802 6.981 1.00 0.00 C ATOM 169 CD1 TYR A 11 -1.228 8.491 7.535 1.00 0.00 C ATOM 170 CD2 TYR A 11 0.624 8.457 6.033 1.00 0.00 C ATOM 171 CE1 TYR A 11 -1.516 9.788 7.156 1.00 0.00 C ATOM 172 CE2 TYR A 11 0.341 9.755 5.651 1.00 0.00 C ATOM 173 CZ TYR A 11 -0.729 10.415 6.214 1.00 0.00 C ATOM 174 OH TYR A 11 -1.014 11.707 5.834 1.00 0.00 O ATOM 0 H TYR A 11 1.937 6.275 9.174 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.897 6.760 9.219 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.221 6.182 7.200 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.405 5.693 6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.848 8.003 8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.463 7.943 5.587 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.354 10.308 7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.956 10.250 4.914 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.364 12.002 5.163 1.00 0.00 H new ATOM 184 N LEU A 12 0.257 3.688 9.121 1.00 0.00 N ATOM 185 CA LEU A 12 -0.123 2.284 9.251 1.00 0.00 C ATOM 186 C LEU A 12 -1.080 2.079 10.423 1.00 0.00 C ATOM 187 O LEU A 12 -2.113 1.421 10.284 1.00 0.00 O ATOM 188 CB LEU A 12 1.120 1.413 9.436 1.00 0.00 C ATOM 189 CG LEU A 12 1.852 1.045 8.145 1.00 0.00 C ATOM 190 CD1 LEU A 12 3.301 0.682 8.437 1.00 0.00 C ATOM 191 CD2 LEU A 12 1.145 -0.103 7.441 1.00 0.00 C ATOM 0 H LEU A 12 1.263 3.856 9.129 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.635 1.989 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.815 1.934 10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.828 0.494 9.945 1.00 0.00 H new ATOM 0 HG LEU A 12 1.842 1.912 7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.806 0.423 7.506 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.803 1.532 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.333 -0.170 9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.679 -0.352 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.124 -0.974 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.125 0.193 7.197 1.00 0.00 H new ATOM 203 N MET A 13 -0.740 2.650 11.572 1.00 0.00 N ATOM 204 CA MET A 13 -1.579 2.528 12.758 1.00 0.00 C ATOM 205 C MET A 13 -2.785 3.455 12.657 1.00 0.00 C ATOM 206 O MET A 13 -3.903 3.076 13.005 1.00 0.00 O ATOM 207 CB MET A 13 -0.780 2.857 14.020 1.00 0.00 C ATOM 208 CG MET A 13 0.552 2.129 14.108 1.00 0.00 C ATOM 209 SD MET A 13 1.599 2.758 15.435 1.00 0.00 S ATOM 210 CE MET A 13 1.899 4.432 14.872 1.00 0.00 C ATOM 0 H MET A 13 0.108 3.200 11.708 1.00 0.00 H new ATOM 0 HA MET A 13 -1.928 1.497 12.820 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.600 3.931 14.055 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.380 2.606 14.895 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.371 1.066 14.266 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.078 2.225 13.158 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.926 4.518 14.517 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.213 4.671 14.060 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.741 5.127 15.697 1.00 0.00 H new ATOM 220 N ARG A 14 -2.548 4.671 12.177 1.00 0.00 N ATOM 221 CA ARG A 14 -3.614 5.653 12.027 1.00 0.00 C ATOM 222 C ARG A 14 -4.689 5.144 11.073 1.00 0.00 C ATOM 223 O ARG A 14 -5.879 5.386 11.275 1.00 0.00 O ATOM 224 CB ARG A 14 -3.047 6.979 11.517 1.00 0.00 C ATOM 225 CG ARG A 14 -4.014 8.144 11.647 1.00 0.00 C ATOM 226 CD ARG A 14 -3.432 9.420 11.059 1.00 0.00 C ATOM 227 NE ARG A 14 -3.675 10.578 11.916 1.00 0.00 N ATOM 228 CZ ARG A 14 -2.961 10.859 13.004 1.00 0.00 C ATOM 229 NH1 ARG A 14 -1.959 10.068 13.370 1.00 0.00 N ATOM 230 NH2 ARG A 14 -3.248 11.932 13.727 1.00 0.00 N ATOM 0 H ARG A 14 -1.627 4.999 11.885 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.068 5.814 13.005 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.136 7.211 12.068 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.766 6.866 10.470 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.948 7.901 11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.254 8.303 12.698 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.359 9.296 10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.868 9.598 10.076 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.437 11.209 11.666 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.734 9.241 12.817 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.415 10.287 14.204 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.016 12.543 13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.701 12.147 14.560 1.00 0.00 H new ATOM 244 N LEU A 15 -4.261 4.437 10.031 1.00 0.00 N ATOM 245 CA LEU A 15 -5.187 3.891 9.045 1.00 0.00 C ATOM 246 C LEU A 15 -6.106 2.854 9.681 1.00 0.00 C ATOM 247 O LEU A 15 -7.317 2.866 9.463 1.00 0.00 O ATOM 248 CB LEU A 15 -4.415 3.261 7.884 1.00 0.00 C ATOM 249 CG LEU A 15 -5.189 3.160 6.568 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.281 3.476 5.389 1.00 0.00 C ATOM 251 CD2 LEU A 15 -5.803 1.776 6.415 1.00 0.00 C ATOM 0 H LEU A 15 -3.279 4.229 9.848 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.799 4.709 8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.510 3.844 7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.099 2.261 8.179 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.995 3.893 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.849 3.399 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.890 4.488 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.453 2.767 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.350 1.723 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.013 1.025 6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.487 1.588 7.243 1.00 0.00 H new ATOM 263 N ARG A 16 -5.522 1.958 10.471 1.00 0.00 N ATOM 264 CA ARG A 16 -6.290 0.915 11.141 1.00 0.00 C ATOM 265 C ARG A 16 -7.134 1.499 12.272 1.00 0.00 C ATOM 266 O ARG A 16 -8.133 0.906 12.683 1.00 0.00 O ATOM 267 CB ARG A 16 -5.354 -0.161 11.691 1.00 0.00 C ATOM 268 CG ARG A 16 -6.037 -1.497 11.933 1.00 0.00 C ATOM 269 CD ARG A 16 -5.177 -2.417 12.784 1.00 0.00 C ATOM 270 NE ARG A 16 -5.347 -2.159 14.212 1.00 0.00 N ATOM 271 CZ ARG A 16 -4.529 -2.626 15.153 1.00 0.00 C ATOM 272 NH1 ARG A 16 -3.485 -3.375 14.821 1.00 0.00 N ATOM 273 NH2 ARG A 16 -4.756 -2.344 16.429 1.00 0.00 N ATOM 0 H ARG A 16 -4.520 1.934 10.662 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.960 0.465 10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.530 -0.305 10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.920 0.191 12.627 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.995 -1.333 12.427 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.249 -1.977 10.977 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.434 -3.454 12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.129 -2.286 12.514 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.139 -1.587 14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.306 -3.595 13.841 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.861 -3.730 15.546 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.557 -1.769 16.690 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.129 -2.702 17.150 1.00 0.00 H new ATOM 287 N ARG A 17 -6.728 2.662 12.774 1.00 0.00 N ATOM 288 CA ARG A 17 -7.445 3.323 13.858 1.00 0.00 C ATOM 289 C ARG A 17 -8.907 3.565 13.487 1.00 0.00 C ATOM 290 O ARG A 17 -9.774 3.637 14.358 1.00 0.00 O ATOM 291 CB ARG A 17 -6.767 4.651 14.209 1.00 0.00 C ATOM 292 CG ARG A 17 -6.149 4.670 15.598 1.00 0.00 C ATOM 293 CD ARG A 17 -6.463 5.965 16.331 1.00 0.00 C ATOM 294 NE ARG A 17 -6.674 5.747 17.760 1.00 0.00 N ATOM 295 CZ ARG A 17 -7.307 6.605 18.556 1.00 0.00 C ATOM 296 NH1 ARG A 17 -7.794 7.741 18.067 1.00 0.00 N ATOM 297 NH2 ARG A 17 -7.456 6.329 19.844 1.00 0.00 N ATOM 0 H ARG A 17 -5.904 3.166 12.446 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.419 2.666 14.727 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.991 4.859 13.472 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.500 5.454 14.136 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.523 3.824 16.175 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.069 4.549 15.518 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.644 6.670 16.189 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.354 6.420 15.898 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.315 4.886 18.172 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.683 7.959 17.077 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.278 8.395 18.682 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.085 5.459 20.225 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.941 6.987 20.454 1.00 0.00 H new ATOM 311 N CYS A 18 -9.174 3.692 12.189 1.00 0.00 N ATOM 312 CA CYS A 18 -10.532 3.927 11.709 1.00 0.00 C ATOM 313 C CYS A 18 -11.487 2.848 12.213 1.00 0.00 C ATOM 314 O CYS A 18 -11.057 1.819 12.733 1.00 0.00 O ATOM 315 CB CYS A 18 -10.552 3.975 10.178 1.00 0.00 C ATOM 316 SG CYS A 18 -11.218 5.513 9.498 1.00 0.00 S ATOM 0 H CYS A 18 -8.470 3.636 11.453 1.00 0.00 H new ATOM 0 HA CYS A 18 -10.867 4.888 12.100 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.537 3.836 9.807 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.145 3.139 9.806 1.00 0.00 H new ATOM 0 HG CYS A 18 -10.311 6.094 8.769 1.00 0.00 H new ATOM 322 N GLN A 19 -12.784 3.092 12.057 1.00 0.00 N ATOM 323 CA GLN A 19 -13.799 2.143 12.499 1.00 0.00 C ATOM 324 C GLN A 19 -14.264 1.260 11.347 1.00 0.00 C ATOM 325 O GLN A 19 -14.456 0.055 11.512 1.00 0.00 O ATOM 326 CB GLN A 19 -14.993 2.884 13.102 1.00 0.00 C ATOM 327 CG GLN A 19 -15.838 2.025 14.029 1.00 0.00 C ATOM 328 CD GLN A 19 -15.311 2.010 15.451 1.00 0.00 C ATOM 329 OE1 GLN A 19 -15.069 0.948 16.024 1.00 0.00 O ATOM 330 NE2 GLN A 19 -15.133 3.193 16.028 1.00 0.00 N ATOM 0 H GLN A 19 -13.157 3.939 11.628 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.352 1.505 13.261 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.631 3.751 13.654 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.622 3.260 12.295 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.863 2.396 14.029 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.869 1.005 13.646 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.347 4.048 15.515 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.782 3.246 16.984 1.00 0.00 H new ATOM 339 N THR A 20 -14.445 1.866 10.180 1.00 0.00 N ATOM 340 CA THR A 20 -14.890 1.134 8.999 1.00 0.00 C ATOM 341 C THR A 20 -14.014 1.458 7.792 1.00 0.00 C ATOM 342 O THR A 20 -13.315 2.471 7.773 1.00 0.00 O ATOM 343 CB THR A 20 -16.350 1.466 8.689 1.00 0.00 C ATOM 344 OG1 THR A 20 -16.804 0.729 7.567 1.00 0.00 O ATOM 345 CG2 THR A 20 -16.584 2.933 8.398 1.00 0.00 C ATOM 0 H THR A 20 -14.291 2.862 10.025 1.00 0.00 H new ATOM 0 HA THR A 20 -14.803 0.068 9.210 1.00 0.00 H new ATOM 0 HB THR A 20 -16.903 1.199 9.589 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.740 0.954 7.385 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.640 3.098 8.186 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.290 3.527 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.990 3.232 7.534 1.00 0.00 H new ATOM 353 N ILE A 21 -14.057 0.588 6.790 1.00 0.00 N ATOM 354 CA ILE A 21 -13.268 0.776 5.578 1.00 0.00 C ATOM 355 C ILE A 21 -13.860 1.870 4.696 1.00 0.00 C ATOM 356 O ILE A 21 -13.133 2.683 4.126 1.00 0.00 O ATOM 357 CB ILE A 21 -13.175 -0.531 4.765 1.00 0.00 C ATOM 358 CG1 ILE A 21 -12.644 -1.666 5.642 1.00 0.00 C ATOM 359 CG2 ILE A 21 -12.288 -0.338 3.544 1.00 0.00 C ATOM 360 CD1 ILE A 21 -11.263 -1.400 6.202 1.00 0.00 C ATOM 0 H ILE A 21 -14.630 -0.256 6.793 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.268 1.074 5.894 1.00 0.00 H new ATOM 0 HB ILE A 21 -14.175 -0.798 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -13.337 -1.831 6.467 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -12.620 -2.586 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.234 -1.271 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.707 0.444 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.287 -0.049 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.949 -2.246 6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.558 -1.264 5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.286 -0.498 6.814 1.00 0.00 H new ATOM 372 N ASP A 22 -15.185 1.884 4.585 1.00 0.00 N ATOM 373 CA ASP A 22 -15.876 2.877 3.767 1.00 0.00 C ATOM 374 C ASP A 22 -15.472 4.293 4.167 1.00 0.00 C ATOM 375 O ASP A 22 -15.095 5.103 3.320 1.00 0.00 O ATOM 376 CB ASP A 22 -17.391 2.711 3.899 1.00 0.00 C ATOM 377 CG ASP A 22 -17.907 1.502 3.143 1.00 0.00 C ATOM 378 OD1 ASP A 22 -17.159 0.508 3.030 1.00 0.00 O ATOM 379 OD2 ASP A 22 -19.061 1.550 2.665 1.00 0.00 O ATOM 0 H ASP A 22 -15.802 1.219 5.051 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.587 2.717 2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.653 2.617 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.886 3.608 3.527 1.00 0.00 H new ATOM 384 N THR A 23 -15.550 4.584 5.461 1.00 0.00 N ATOM 385 CA THR A 23 -15.189 5.904 5.967 1.00 0.00 C ATOM 386 C THR A 23 -13.702 6.170 5.750 1.00 0.00 C ATOM 387 O THR A 23 -13.308 7.253 5.317 1.00 0.00 O ATOM 388 CB THR A 23 -15.547 6.016 7.455 1.00 0.00 C ATOM 389 OG1 THR A 23 -15.893 7.349 7.786 1.00 0.00 O ATOM 390 CG2 THR A 23 -14.437 5.585 8.394 1.00 0.00 C ATOM 0 H THR A 23 -15.859 3.926 6.177 1.00 0.00 H new ATOM 0 HA THR A 23 -15.754 6.656 5.417 1.00 0.00 H new ATOM 0 HB THR A 23 -16.387 5.335 7.591 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.120 7.401 8.738 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.770 5.695 9.426 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.184 4.542 8.203 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.558 6.208 8.229 1.00 0.00 H new ATOM 398 N LEU A 24 -12.885 5.170 6.057 1.00 0.00 N ATOM 399 CA LEU A 24 -11.440 5.280 5.901 1.00 0.00 C ATOM 400 C LEU A 24 -11.073 5.597 4.456 1.00 0.00 C ATOM 401 O LEU A 24 -10.162 6.378 4.199 1.00 0.00 O ATOM 402 CB LEU A 24 -10.761 3.979 6.348 1.00 0.00 C ATOM 403 CG LEU A 24 -9.260 3.875 6.051 1.00 0.00 C ATOM 404 CD1 LEU A 24 -9.027 3.452 4.608 1.00 0.00 C ATOM 405 CD2 LEU A 24 -8.557 5.193 6.342 1.00 0.00 C ATOM 0 H LEU A 24 -13.201 4.269 6.417 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.088 6.098 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.909 3.864 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.267 3.143 5.865 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.837 3.113 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.956 3.384 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.489 2.480 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.469 4.189 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.494 5.094 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.984 5.979 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.689 5.452 7.393 1.00 0.00 H new ATOM 417 N GLU A 25 -11.787 4.992 3.514 1.00 0.00 N ATOM 418 CA GLU A 25 -11.525 5.224 2.097 1.00 0.00 C ATOM 419 C GLU A 25 -11.656 6.707 1.764 1.00 0.00 C ATOM 420 O GLU A 25 -10.887 7.251 0.970 1.00 0.00 O ATOM 421 CB GLU A 25 -12.490 4.407 1.236 1.00 0.00 C ATOM 422 CG GLU A 25 -11.965 4.124 -0.162 1.00 0.00 C ATOM 423 CD GLU A 25 -12.383 5.181 -1.166 1.00 0.00 C ATOM 424 OE1 GLU A 25 -13.573 5.560 -1.169 1.00 0.00 O ATOM 425 OE2 GLU A 25 -11.520 5.630 -1.950 1.00 0.00 O ATOM 0 H GLU A 25 -12.548 4.340 3.703 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.505 4.906 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.698 3.461 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.437 4.942 1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.877 4.066 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.328 3.151 -0.492 1.00 0.00 H new ATOM 432 N ARG A 26 -12.633 7.356 2.388 1.00 0.00 N ATOM 433 CA ARG A 26 -12.867 8.778 2.170 1.00 0.00 C ATOM 434 C ARG A 26 -11.628 9.589 2.536 1.00 0.00 C ATOM 435 O ARG A 26 -11.288 10.561 1.858 1.00 0.00 O ATOM 436 CB ARG A 26 -14.065 9.249 2.997 1.00 0.00 C ATOM 437 CG ARG A 26 -14.385 10.725 2.822 1.00 0.00 C ATOM 438 CD ARG A 26 -15.004 11.314 4.080 1.00 0.00 C ATOM 439 NE ARG A 26 -14.529 12.670 4.341 1.00 0.00 N ATOM 440 CZ ARG A 26 -14.986 13.438 5.328 1.00 0.00 C ATOM 441 NH1 ARG A 26 -15.926 12.986 6.149 1.00 0.00 N ATOM 442 NH2 ARG A 26 -14.501 14.661 5.495 1.00 0.00 N ATOM 0 H ARG A 26 -13.276 6.919 3.049 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.083 8.933 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.940 8.661 2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.868 9.051 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.474 11.269 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.070 10.853 1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.089 11.323 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.768 10.677 4.932 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.805 13.051 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.302 12.046 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.272 13.579 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.778 15.013 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.851 15.250 6.251 1.00 0.00 H new ATOM 456 N VAL A 27 -10.956 9.188 3.610 1.00 0.00 N ATOM 457 CA VAL A 27 -9.757 9.886 4.055 1.00 0.00 C ATOM 458 C VAL A 27 -8.578 9.606 3.126 1.00 0.00 C ATOM 459 O VAL A 27 -7.660 10.418 3.015 1.00 0.00 O ATOM 460 CB VAL A 27 -9.384 9.526 5.513 1.00 0.00 C ATOM 461 CG1 VAL A 27 -8.776 8.133 5.616 1.00 0.00 C ATOM 462 CG2 VAL A 27 -8.438 10.571 6.082 1.00 0.00 C ATOM 0 H VAL A 27 -11.220 8.388 4.185 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.984 10.952 4.021 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.302 9.519 6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.529 7.920 6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.493 7.395 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.871 8.085 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.181 10.309 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.531 10.607 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.923 11.547 6.067 1.00 0.00 H new ATOM 472 N ILE A 28 -8.612 8.458 2.453 1.00 0.00 N ATOM 473 CA ILE A 28 -7.548 8.088 1.529 1.00 0.00 C ATOM 474 C ILE A 28 -7.452 9.098 0.396 1.00 0.00 C ATOM 475 O ILE A 28 -6.360 9.440 -0.056 1.00 0.00 O ATOM 476 CB ILE A 28 -7.768 6.684 0.928 1.00 0.00 C ATOM 477 CG1 ILE A 28 -8.018 5.660 2.037 1.00 0.00 C ATOM 478 CG2 ILE A 28 -6.572 6.277 0.077 1.00 0.00 C ATOM 479 CD1 ILE A 28 -8.135 4.236 1.536 1.00 0.00 C ATOM 0 H ILE A 28 -9.363 7.772 2.531 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.621 8.079 2.102 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.649 6.715 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.205 5.715 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.933 5.926 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.743 5.284 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.442 6.994 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.674 6.261 0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.312 3.567 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.967 4.164 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.211 3.950 1.033 1.00 0.00 H new ATOM 491 N GLU A 29 -8.605 9.574 -0.057 1.00 0.00 N ATOM 492 CA GLU A 29 -8.655 10.550 -1.139 1.00 0.00 C ATOM 493 C GLU A 29 -8.224 11.926 -0.645 1.00 0.00 C ATOM 494 O GLU A 29 -7.570 12.681 -1.366 1.00 0.00 O ATOM 495 CB GLU A 29 -10.065 10.621 -1.727 1.00 0.00 C ATOM 496 CG GLU A 29 -10.086 10.796 -3.237 1.00 0.00 C ATOM 497 CD GLU A 29 -11.484 10.699 -3.816 1.00 0.00 C ATOM 498 OE1 GLU A 29 -11.971 9.565 -4.003 1.00 0.00 O ATOM 499 OE2 GLU A 29 -12.093 11.757 -4.079 1.00 0.00 O ATOM 0 H GLU A 29 -9.518 9.301 0.307 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.963 10.230 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.604 9.710 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.601 11.451 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.657 11.765 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.453 10.036 -3.696 1.00 0.00 H new ATOM 506 N LYS A 30 -8.592 12.246 0.591 1.00 0.00 N ATOM 507 CA LYS A 30 -8.239 13.531 1.181 1.00 0.00 C ATOM 508 C LYS A 30 -6.770 13.554 1.594 1.00 0.00 C ATOM 509 O LYS A 30 -6.100 14.580 1.485 1.00 0.00 O ATOM 510 CB LYS A 30 -9.130 13.822 2.392 1.00 0.00 C ATOM 511 CG LYS A 30 -9.787 15.193 2.347 1.00 0.00 C ATOM 512 CD LYS A 30 -11.253 15.124 2.747 1.00 0.00 C ATOM 513 CE LYS A 30 -12.168 15.219 1.536 1.00 0.00 C ATOM 514 NZ LYS A 30 -13.605 15.253 1.925 1.00 0.00 N ATOM 0 H LYS A 30 -9.133 11.634 1.202 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.397 14.305 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.905 13.058 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.532 13.744 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.258 15.873 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.702 15.605 1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.443 14.190 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.480 15.934 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.925 16.116 0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.990 14.367 0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.173 15.602 1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.918 14.295 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.729 15.887 2.740 1.00 0.00 H new ATOM 528 N ASN A 31 -6.276 12.414 2.071 1.00 0.00 N ATOM 529 CA ASN A 31 -4.887 12.303 2.503 1.00 0.00 C ATOM 530 C ASN A 31 -3.946 12.153 1.312 1.00 0.00 C ATOM 531 O ASN A 31 -2.878 12.765 1.273 1.00 0.00 O ATOM 532 CB ASN A 31 -4.718 11.118 3.454 1.00 0.00 C ATOM 533 CG ASN A 31 -4.902 11.512 4.906 1.00 0.00 C ATOM 534 OD1 ASN A 31 -5.934 12.304 5.178 1.00 0.00 O flip ATOM 535 ND2 ASN A 31 -4.127 11.111 5.774 1.00 0.00 N flip ATOM 0 H ASN A 31 -6.817 11.555 2.168 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.628 13.223 3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.440 10.343 3.196 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.726 10.687 3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.347 10.504 5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.264 11.386 6.747 1.00 0.00 H new ATOM 542 N LYS A 32 -4.343 11.333 0.346 1.00 0.00 N ATOM 543 CA LYS A 32 -3.527 11.102 -0.843 1.00 0.00 C ATOM 544 C LYS A 32 -3.259 12.408 -1.585 1.00 0.00 C ATOM 545 O LYS A 32 -2.176 12.609 -2.136 1.00 0.00 O ATOM 546 CB LYS A 32 -4.206 10.094 -1.776 1.00 0.00 C ATOM 547 CG LYS A 32 -5.444 10.635 -2.472 1.00 0.00 C ATOM 548 CD LYS A 32 -5.117 11.172 -3.856 1.00 0.00 C ATOM 549 CE LYS A 32 -6.265 11.994 -4.421 1.00 0.00 C ATOM 550 NZ LYS A 32 -7.241 11.149 -5.163 1.00 0.00 N ATOM 0 H LYS A 32 -5.223 10.817 0.361 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.572 10.690 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.488 9.772 -2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.482 9.210 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.190 9.845 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.885 11.428 -1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.218 11.787 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.898 10.342 -4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.776 12.510 -3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.869 12.761 -5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.095 11.706 -5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.813 10.826 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.498 10.325 -4.583 1.00 0.00 H new ATOM 564 N TYR A 33 -4.249 13.294 -1.593 1.00 0.00 N ATOM 565 CA TYR A 33 -4.114 14.580 -2.267 1.00 0.00 C ATOM 566 C TYR A 33 -3.509 15.629 -1.334 1.00 0.00 C ATOM 567 O TYR A 33 -2.987 16.647 -1.788 1.00 0.00 O ATOM 568 CB TYR A 33 -5.475 15.061 -2.774 1.00 0.00 C ATOM 569 CG TYR A 33 -5.396 16.303 -3.632 1.00 0.00 C ATOM 570 CD1 TYR A 33 -4.413 16.438 -4.604 1.00 0.00 C ATOM 571 CD2 TYR A 33 -6.304 17.342 -3.470 1.00 0.00 C ATOM 572 CE1 TYR A 33 -4.337 17.572 -5.390 1.00 0.00 C ATOM 573 CE2 TYR A 33 -6.236 18.479 -4.252 1.00 0.00 C ATOM 574 CZ TYR A 33 -5.251 18.590 -5.211 1.00 0.00 C ATOM 575 OH TYR A 33 -5.178 19.721 -5.991 1.00 0.00 O ATOM 0 H TYR A 33 -5.152 13.146 -1.142 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.443 14.444 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.943 14.262 -3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.122 15.260 -1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.696 15.643 -4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.076 17.259 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.566 17.661 -6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.951 19.277 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.895 20.339 -5.738 1.00 0.00 H new ATOM 585 N GLU A 34 -3.586 15.377 -0.030 1.00 0.00 N ATOM 586 CA GLU A 34 -3.048 16.303 0.960 1.00 0.00 C ATOM 587 C GLU A 34 -1.523 16.352 0.900 1.00 0.00 C ATOM 588 O GLU A 34 -0.947 17.287 0.345 1.00 0.00 O ATOM 589 CB GLU A 34 -3.508 15.902 2.364 1.00 0.00 C ATOM 590 CG GLU A 34 -4.480 16.890 2.989 1.00 0.00 C ATOM 591 CD GLU A 34 -4.366 16.943 4.500 1.00 0.00 C ATOM 592 OE1 GLU A 34 -4.963 16.076 5.172 1.00 0.00 O ATOM 593 OE2 GLU A 34 -3.681 17.853 5.011 1.00 0.00 O ATOM 0 H GLU A 34 -4.015 14.540 0.364 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.427 17.299 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.980 14.921 2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.635 15.805 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.296 17.883 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.498 16.615 2.715 1.00 0.00 H new ATOM 600 N LEU A 35 -0.874 15.346 1.479 1.00 0.00 N ATOM 601 CA LEU A 35 0.584 15.285 1.493 1.00 0.00 C ATOM 602 C LEU A 35 1.157 15.268 0.082 1.00 0.00 C ATOM 603 O LEU A 35 0.506 15.685 -0.876 1.00 0.00 O ATOM 604 CB LEU A 35 1.079 14.057 2.275 1.00 0.00 C ATOM 605 CG LEU A 35 0.979 12.686 1.574 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.539 11.623 2.563 1.00 0.00 C ATOM 607 CD2 LEU A 35 0.023 12.699 0.392 1.00 0.00 C ATOM 0 H LEU A 35 -1.334 14.563 1.944 1.00 0.00 H new ATOM 0 HA LEU A 35 0.937 16.186 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.123 14.225 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.517 14.001 3.207 1.00 0.00 H new ATOM 0 HG LEU A 35 1.974 12.457 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.472 10.660 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.265 11.557 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.437 11.887 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.007 11.709 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.975 12.972 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.365 13.426 -0.345 1.00 0.00 H new ATOM 619 N SER A 36 2.382 14.771 -0.031 1.00 0.00 N ATOM 620 CA SER A 36 3.060 14.677 -1.315 1.00 0.00 C ATOM 621 C SER A 36 3.378 13.224 -1.640 1.00 0.00 C ATOM 622 O SER A 36 3.046 12.320 -0.873 1.00 0.00 O ATOM 623 CB SER A 36 4.346 15.508 -1.305 1.00 0.00 C ATOM 624 OG SER A 36 4.467 16.252 -0.104 1.00 0.00 O ATOM 0 H SER A 36 2.928 14.425 0.758 1.00 0.00 H new ATOM 0 HA SER A 36 2.396 15.072 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.208 14.850 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.350 16.186 -2.158 1.00 0.00 H new ATOM 0 HG SER A 36 5.012 15.751 0.538 1.00 0.00 H new ATOM 630 N ASP A 37 4.033 13.004 -2.770 1.00 0.00 N ATOM 631 CA ASP A 37 4.406 11.658 -3.180 1.00 0.00 C ATOM 632 C ASP A 37 5.324 11.016 -2.143 1.00 0.00 C ATOM 633 O ASP A 37 5.397 9.792 -2.037 1.00 0.00 O ATOM 634 CB ASP A 37 5.099 11.689 -4.544 1.00 0.00 C ATOM 635 CG ASP A 37 4.231 12.312 -5.620 1.00 0.00 C ATOM 636 OD1 ASP A 37 3.912 13.514 -5.504 1.00 0.00 O ATOM 637 OD2 ASP A 37 3.869 11.597 -6.577 1.00 0.00 O ATOM 0 H ASP A 37 4.317 13.738 -3.418 1.00 0.00 H new ATOM 0 HA ASP A 37 3.497 11.061 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.030 12.250 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.363 10.673 -4.837 1.00 0.00 H new ATOM 642 N ASN A 38 6.036 11.853 -1.387 1.00 0.00 N ATOM 643 CA ASN A 38 6.962 11.364 -0.370 1.00 0.00 C ATOM 644 C ASN A 38 6.229 10.829 0.857 1.00 0.00 C ATOM 645 O ASN A 38 6.532 9.737 1.337 1.00 0.00 O ATOM 646 CB ASN A 38 7.925 12.478 0.045 1.00 0.00 C ATOM 647 CG ASN A 38 7.214 13.650 0.693 1.00 0.00 C ATOM 648 OD1 ASN A 38 6.032 13.889 0.443 1.00 0.00 O ATOM 649 ND2 ASN A 38 7.932 14.389 1.530 1.00 0.00 N ATOM 0 H ASN A 38 5.988 12.869 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 38 7.524 10.539 -0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.663 12.076 0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.470 12.828 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.507 15.191 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.909 14.155 1.708 1.00 0.00 H new ATOM 656 N GLU A 39 5.260 11.589 1.360 1.00 0.00 N ATOM 657 CA GLU A 39 4.497 11.167 2.521 1.00 0.00 C ATOM 658 C GLU A 39 3.438 10.153 2.110 1.00 0.00 C ATOM 659 O GLU A 39 3.112 9.237 2.863 1.00 0.00 O ATOM 660 CB GLU A 39 3.860 12.390 3.182 1.00 0.00 C ATOM 661 CG GLU A 39 2.872 12.065 4.290 1.00 0.00 C ATOM 662 CD GLU A 39 3.444 12.307 5.673 1.00 0.00 C ATOM 663 OE1 GLU A 39 4.514 11.741 5.980 1.00 0.00 O ATOM 664 OE2 GLU A 39 2.821 13.063 6.448 1.00 0.00 O ATOM 0 H GLU A 39 4.989 12.496 0.981 1.00 0.00 H new ATOM 0 HA GLU A 39 5.160 10.687 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.651 13.019 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.349 12.976 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.975 12.671 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.567 11.022 4.205 1.00 0.00 H new ATOM 671 N LEU A 40 2.905 10.330 0.906 1.00 0.00 N ATOM 672 CA LEU A 40 1.880 9.438 0.381 1.00 0.00 C ATOM 673 C LEU A 40 2.384 8.005 0.332 1.00 0.00 C ATOM 674 O LEU A 40 1.620 7.063 0.536 1.00 0.00 O ATOM 675 CB LEU A 40 1.445 9.892 -1.007 1.00 0.00 C ATOM 676 CG LEU A 40 0.323 9.069 -1.641 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.639 9.976 -2.393 1.00 0.00 C ATOM 678 CD2 LEU A 40 0.898 8.011 -2.569 1.00 0.00 C ATOM 0 H LEU A 40 3.168 11.086 0.274 1.00 0.00 H new ATOM 0 HA LEU A 40 1.020 9.475 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.122 10.931 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.311 9.865 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.228 8.565 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.432 9.376 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.075 10.697 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.100 10.506 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.085 7.435 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.473 8.494 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.549 7.345 -2.002 1.00 0.00 H new ATOM 690 N ALA A 41 3.681 7.843 0.085 1.00 0.00 N ATOM 691 CA ALA A 41 4.272 6.514 0.043 1.00 0.00 C ATOM 692 C ALA A 41 3.986 5.797 1.355 1.00 0.00 C ATOM 693 O ALA A 41 3.834 4.576 1.396 1.00 0.00 O ATOM 694 CB ALA A 41 5.771 6.602 -0.207 1.00 0.00 C ATOM 0 H ALA A 41 4.334 8.607 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 41 3.831 5.949 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.195 5.598 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.952 7.099 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.241 7.172 0.595 1.00 0.00 H new ATOM 700 N VAL A 42 3.885 6.585 2.421 1.00 0.00 N ATOM 701 CA VAL A 42 3.585 6.061 3.741 1.00 0.00 C ATOM 702 C VAL A 42 2.099 5.728 3.850 1.00 0.00 C ATOM 703 O VAL A 42 1.717 4.768 4.519 1.00 0.00 O ATOM 704 CB VAL A 42 3.971 7.071 4.844 1.00 0.00 C ATOM 705 CG1 VAL A 42 3.605 6.539 6.226 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.454 7.394 4.767 1.00 0.00 C ATOM 0 H VAL A 42 4.008 7.597 2.391 1.00 0.00 H new ATOM 0 HA VAL A 42 4.173 5.154 3.882 1.00 0.00 H new ATOM 0 HB VAL A 42 3.406 7.989 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.888 7.270 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.531 6.362 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.135 5.604 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.712 8.107 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.033 6.480 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.682 7.827 3.793 1.00 0.00 H new ATOM 716 N PHE A 43 1.261 6.526 3.183 1.00 0.00 N ATOM 717 CA PHE A 43 -0.180 6.301 3.212 1.00 0.00 C ATOM 718 C PHE A 43 -0.567 5.127 2.319 1.00 0.00 C ATOM 719 O PHE A 43 -1.321 4.244 2.730 1.00 0.00 O ATOM 720 CB PHE A 43 -0.928 7.560 2.772 1.00 0.00 C ATOM 721 CG PHE A 43 -2.375 7.563 3.175 1.00 0.00 C ATOM 722 CD1 PHE A 43 -3.303 6.807 2.477 1.00 0.00 C ATOM 723 CD2 PHE A 43 -2.806 8.317 4.253 1.00 0.00 C ATOM 724 CE1 PHE A 43 -4.634 6.806 2.846 1.00 0.00 C ATOM 725 CE2 PHE A 43 -4.136 8.319 4.629 1.00 0.00 C ATOM 726 CZ PHE A 43 -5.051 7.562 3.924 1.00 0.00 C ATOM 0 H PHE A 43 1.555 7.326 2.622 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.461 6.062 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.437 8.434 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.860 7.655 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.982 6.212 1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.094 8.911 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.348 6.215 2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.459 8.911 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.091 7.561 4.215 1.00 0.00 H new ATOM 736 N TYR A 44 -0.049 5.125 1.095 1.00 0.00 N ATOM 737 CA TYR A 44 -0.342 4.060 0.141 1.00 0.00 C ATOM 738 C TYR A 44 0.071 2.700 0.695 1.00 0.00 C ATOM 739 O TYR A 44 -0.656 1.715 0.557 1.00 0.00 O ATOM 740 CB TYR A 44 0.375 4.323 -1.184 1.00 0.00 C ATOM 741 CG TYR A 44 -0.409 3.876 -2.398 1.00 0.00 C ATOM 742 CD1 TYR A 44 -1.315 4.729 -3.015 1.00 0.00 C ATOM 743 CD2 TYR A 44 -0.242 2.603 -2.926 1.00 0.00 C ATOM 744 CE1 TYR A 44 -2.033 4.326 -4.123 1.00 0.00 C ATOM 745 CE2 TYR A 44 -0.957 2.191 -4.035 1.00 0.00 C ATOM 746 CZ TYR A 44 -1.851 3.057 -4.630 1.00 0.00 C ATOM 747 OH TYR A 44 -2.565 2.651 -5.734 1.00 0.00 O ATOM 0 H TYR A 44 0.576 5.849 0.740 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.418 4.048 -0.031 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.583 5.390 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.337 3.810 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.460 5.724 -2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.458 1.923 -2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.734 5.002 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.817 1.197 -4.433 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.318 1.731 -5.963 1.00 0.00 H new ATOM 757 N SER A 45 1.242 2.652 1.319 1.00 0.00 N ATOM 758 CA SER A 45 1.752 1.412 1.892 1.00 0.00 C ATOM 759 C SER A 45 0.801 0.870 2.953 1.00 0.00 C ATOM 760 O SER A 45 0.538 -0.331 3.010 1.00 0.00 O ATOM 761 CB SER A 45 3.137 1.637 2.501 1.00 0.00 C ATOM 762 OG SER A 45 4.115 1.826 1.492 1.00 0.00 O ATOM 0 H SER A 45 1.856 3.457 1.441 1.00 0.00 H new ATOM 0 HA SER A 45 1.830 0.678 1.090 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.112 2.508 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.409 0.782 3.119 1.00 0.00 H new ATOM 0 HG SER A 45 4.189 2.781 1.283 1.00 0.00 H new ATOM 768 N ALA A 46 0.288 1.763 3.792 1.00 0.00 N ATOM 769 CA ALA A 46 -0.634 1.376 4.852 1.00 0.00 C ATOM 770 C ALA A 46 -2.019 1.063 4.295 1.00 0.00 C ATOM 771 O ALA A 46 -2.744 0.231 4.841 1.00 0.00 O ATOM 772 CB ALA A 46 -0.722 2.475 5.900 1.00 0.00 C ATOM 0 H ALA A 46 0.496 2.761 3.758 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.248 0.470 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.414 2.173 6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.264 2.647 6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.080 3.394 5.435 1.00 0.00 H new ATOM 778 N ALA A 47 -2.380 1.734 3.206 1.00 0.00 N ATOM 779 CA ALA A 47 -3.680 1.529 2.578 1.00 0.00 C ATOM 780 C ALA A 47 -3.728 0.201 1.828 1.00 0.00 C ATOM 781 O ALA A 47 -4.652 -0.592 2.009 1.00 0.00 O ATOM 782 CB ALA A 47 -3.997 2.679 1.634 1.00 0.00 C ATOM 0 H ALA A 47 -1.791 2.424 2.740 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.433 1.499 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.970 2.513 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.016 3.614 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.232 2.735 0.859 1.00 0.00 H new ATOM 788 N ASP A 48 -2.728 -0.035 0.984 1.00 0.00 N ATOM 789 CA ASP A 48 -2.658 -1.266 0.204 1.00 0.00 C ATOM 790 C ASP A 48 -2.657 -2.491 1.114 1.00 0.00 C ATOM 791 O ASP A 48 -3.406 -3.442 0.890 1.00 0.00 O ATOM 792 CB ASP A 48 -1.404 -1.266 -0.673 1.00 0.00 C ATOM 793 CG ASP A 48 -1.687 -0.785 -2.084 1.00 0.00 C ATOM 794 OD1 ASP A 48 -2.840 -0.931 -2.541 1.00 0.00 O ATOM 795 OD2 ASP A 48 -0.754 -0.263 -2.730 1.00 0.00 O ATOM 0 H ASP A 48 -1.955 0.610 0.823 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.541 -1.313 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.646 -0.627 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.990 -2.274 -0.711 1.00 0.00 H new ATOM 800 N HIS A 49 -1.812 -2.463 2.141 1.00 0.00 N ATOM 801 CA HIS A 49 -1.716 -3.573 3.082 1.00 0.00 C ATOM 802 C HIS A 49 -3.075 -3.883 3.702 1.00 0.00 C ATOM 803 O HIS A 49 -3.428 -5.045 3.898 1.00 0.00 O ATOM 804 CB HIS A 49 -0.702 -3.248 4.180 1.00 0.00 C ATOM 805 CG HIS A 49 0.700 -3.652 3.842 1.00 0.00 C ATOM 806 ND1 HIS A 49 1.801 -2.887 4.163 1.00 0.00 N ATOM 807 CD2 HIS A 49 1.178 -4.748 3.206 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.896 -3.494 3.740 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.545 -4.625 3.158 1.00 0.00 N ATOM 0 H HIS A 49 -1.185 -1.684 2.342 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.380 -4.454 2.534 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.724 -2.176 4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.003 -3.748 5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.594 -5.566 2.811 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.906 -3.127 3.852 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.186 -5.299 2.740 1.00 0.00 H new ATOM 818 N ARG A 50 -3.834 -2.835 4.010 1.00 0.00 N ATOM 819 CA ARG A 50 -5.154 -2.997 4.606 1.00 0.00 C ATOM 820 C ARG A 50 -6.142 -3.567 3.593 1.00 0.00 C ATOM 821 O ARG A 50 -6.975 -4.408 3.928 1.00 0.00 O ATOM 822 CB ARG A 50 -5.666 -1.657 5.138 1.00 0.00 C ATOM 823 CG ARG A 50 -6.634 -1.795 6.305 1.00 0.00 C ATOM 824 CD ARG A 50 -6.066 -1.193 7.582 1.00 0.00 C ATOM 825 NE ARG A 50 -5.533 -2.216 8.480 1.00 0.00 N ATOM 826 CZ ARG A 50 -4.259 -2.606 8.498 1.00 0.00 C ATOM 827 NH1 ARG A 50 -3.377 -2.067 7.665 1.00 0.00 N ATOM 828 NH2 ARG A 50 -3.866 -3.540 9.353 1.00 0.00 N ATOM 0 H ARG A 50 -3.557 -1.866 3.856 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.066 -3.699 5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.816 -1.051 5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.160 -1.119 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.575 -1.303 6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.859 -2.849 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.276 -0.485 7.329 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.846 -0.630 8.096 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.177 -2.660 9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.673 -1.348 7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.404 -2.372 7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.538 -3.959 9.996 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.891 -3.840 9.368 1.00 0.00 H new ATOM 842 N LEU A 51 -6.040 -3.103 2.351 1.00 0.00 N ATOM 843 CA LEU A 51 -6.924 -3.566 1.286 1.00 0.00 C ATOM 844 C LEU A 51 -6.561 -4.986 0.860 1.00 0.00 C ATOM 845 O LEU A 51 -7.435 -5.833 0.679 1.00 0.00 O ATOM 846 CB LEU A 51 -6.844 -2.617 0.087 1.00 0.00 C ATOM 847 CG LEU A 51 -8.162 -1.938 -0.291 1.00 0.00 C ATOM 848 CD1 LEU A 51 -7.926 -0.484 -0.669 1.00 0.00 C ATOM 849 CD2 LEU A 51 -8.839 -2.683 -1.431 1.00 0.00 C ATOM 0 H LEU A 51 -5.354 -2.407 2.057 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.946 -3.574 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.104 -1.846 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.480 -3.176 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.822 -1.964 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.875 -0.018 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.486 0.045 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.247 -0.435 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.775 -2.185 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.183 -2.690 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.045 -3.708 -1.124 1.00 0.00 H new ATOM 861 N ALA A 52 -5.266 -5.236 0.704 1.00 0.00 N ATOM 862 CA ALA A 52 -4.777 -6.551 0.303 1.00 0.00 C ATOM 863 C ALA A 52 -5.227 -7.630 1.282 1.00 0.00 C ATOM 864 O ALA A 52 -5.782 -8.657 0.886 1.00 0.00 O ATOM 865 CB ALA A 52 -3.261 -6.527 0.195 1.00 0.00 C ATOM 0 H ALA A 52 -4.533 -4.542 0.850 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.200 -6.792 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.902 -7.512 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.961 -5.789 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.832 -6.263 1.161 1.00 0.00 H new ATOM 871 N GLU A 53 -4.982 -7.390 2.565 1.00 0.00 N ATOM 872 CA GLU A 53 -5.360 -8.341 3.601 1.00 0.00 C ATOM 873 C GLU A 53 -6.869 -8.545 3.632 1.00 0.00 C ATOM 874 O GLU A 53 -7.345 -9.667 3.764 1.00 0.00 O ATOM 875 CB GLU A 53 -4.858 -7.866 4.967 1.00 0.00 C ATOM 876 CG GLU A 53 -5.615 -6.668 5.519 1.00 0.00 C ATOM 877 CD GLU A 53 -5.087 -6.215 6.865 1.00 0.00 C ATOM 878 OE1 GLU A 53 -3.922 -6.533 7.183 1.00 0.00 O ATOM 879 OE2 GLU A 53 -5.839 -5.542 7.603 1.00 0.00 O ATOM 0 H GLU A 53 -4.524 -6.547 2.911 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.894 -9.299 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.933 -8.689 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.802 -7.610 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.548 -5.843 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.671 -6.922 5.614 1.00 0.00 H new ATOM 886 N LEU A 54 -7.616 -7.457 3.502 1.00 0.00 N ATOM 887 CA LEU A 54 -9.072 -7.532 3.509 1.00 0.00 C ATOM 888 C LEU A 54 -9.573 -8.374 2.339 1.00 0.00 C ATOM 889 O LEU A 54 -10.636 -8.991 2.415 1.00 0.00 O ATOM 890 CB LEU A 54 -9.678 -6.127 3.445 1.00 0.00 C ATOM 891 CG LEU A 54 -10.500 -5.722 4.671 1.00 0.00 C ATOM 892 CD1 LEU A 54 -9.597 -5.145 5.750 1.00 0.00 C ATOM 893 CD2 LEU A 54 -11.576 -4.720 4.281 1.00 0.00 C ATOM 0 H LEU A 54 -7.240 -6.515 3.391 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.386 -8.008 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.872 -5.405 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.314 -6.061 2.562 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.987 -6.611 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.198 -4.862 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.862 -5.893 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.083 -4.266 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.152 -4.442 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.109 -3.831 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.240 -5.168 3.541 1.00 0.00 H new ATOM 905 N THR A 55 -8.804 -8.389 1.254 1.00 0.00 N ATOM 906 CA THR A 55 -9.171 -9.145 0.063 1.00 0.00 C ATOM 907 C THR A 55 -9.184 -10.648 0.332 1.00 0.00 C ATOM 908 O THR A 55 -10.090 -11.354 -0.111 1.00 0.00 O ATOM 909 CB THR A 55 -8.203 -8.832 -1.079 1.00 0.00 C ATOM 910 OG1 THR A 55 -7.935 -7.443 -1.143 1.00 0.00 O ATOM 911 CG2 THR A 55 -8.717 -9.263 -2.436 1.00 0.00 C ATOM 0 H THR A 55 -7.921 -7.885 1.176 1.00 0.00 H new ATOM 0 HA THR A 55 -10.180 -8.845 -0.221 1.00 0.00 H new ATOM 0 HB THR A 55 -7.300 -9.399 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.290 -7.202 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.982 -9.011 -3.200 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.886 -10.340 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.654 -8.749 -2.650 1.00 0.00 H new ATOM 919 N MET A 56 -8.178 -11.139 1.051 1.00 0.00 N ATOM 920 CA MET A 56 -8.096 -12.567 1.355 1.00 0.00 C ATOM 921 C MET A 56 -8.600 -12.872 2.764 1.00 0.00 C ATOM 922 O MET A 56 -9.137 -13.950 3.016 1.00 0.00 O ATOM 923 CB MET A 56 -6.655 -13.060 1.208 1.00 0.00 C ATOM 924 CG MET A 56 -6.547 -14.562 0.992 1.00 0.00 C ATOM 925 SD MET A 56 -4.859 -15.094 0.651 1.00 0.00 S ATOM 926 CE MET A 56 -4.774 -14.837 -1.119 1.00 0.00 C ATOM 0 H MET A 56 -7.416 -10.578 1.431 1.00 0.00 H new ATOM 0 HA MET A 56 -8.735 -13.090 0.643 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.187 -12.546 0.369 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.093 -12.788 2.102 1.00 0.00 H new ATOM 0 HG2 MET A 56 -6.915 -15.080 1.877 1.00 0.00 H new ATOM 0 HG3 MET A 56 -7.190 -14.853 0.162 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.097 -15.568 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.767 -14.955 -1.552 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.406 -13.832 -1.323 1.00 0.00 H new ATOM 936 N ASN A 57 -8.424 -11.911 3.670 1.00 0.00 N ATOM 937 CA ASN A 57 -8.852 -12.049 5.066 1.00 0.00 C ATOM 938 C ASN A 57 -8.052 -11.106 5.959 1.00 0.00 C ATOM 939 O ASN A 57 -8.559 -10.078 6.408 1.00 0.00 O ATOM 940 CB ASN A 57 -8.680 -13.491 5.562 1.00 0.00 C ATOM 941 CG ASN A 57 -9.991 -14.253 5.585 1.00 0.00 C ATOM 942 OD1 ASN A 57 -11.068 -13.663 5.501 1.00 0.00 O ATOM 943 ND2 ASN A 57 -9.904 -15.573 5.699 1.00 0.00 N ATOM 0 H ASN A 57 -7.982 -11.016 3.460 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.910 -11.790 5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.971 -14.012 4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.252 -13.479 6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.752 -16.140 5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.990 -16.020 5.766 1.00 0.00 H new ATOM 950 N LYS A 58 -6.796 -11.466 6.205 1.00 0.00 N ATOM 951 CA LYS A 58 -5.909 -10.661 7.038 1.00 0.00 C ATOM 952 C LYS A 58 -4.453 -10.886 6.641 1.00 0.00 C ATOM 953 O LYS A 58 -3.555 -10.849 7.484 1.00 0.00 O ATOM 954 CB LYS A 58 -6.102 -11.014 8.515 1.00 0.00 C ATOM 955 CG LYS A 58 -7.171 -10.186 9.209 1.00 0.00 C ATOM 956 CD LYS A 58 -6.563 -9.039 10.000 1.00 0.00 C ATOM 957 CE LYS A 58 -5.798 -8.084 9.098 1.00 0.00 C ATOM 958 NZ LYS A 58 -4.899 -7.186 9.873 1.00 0.00 N ATOM 0 H LYS A 58 -6.368 -12.315 5.837 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.158 -9.611 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.364 -12.069 8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.155 -10.880 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.864 -9.790 8.467 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.749 -10.824 9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.352 -8.496 10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.893 -9.436 10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.209 -8.656 8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.504 -7.483 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.197 -6.761 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.461 -6.433 10.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.410 -7.735 10.608 1.00 0.00 H new ATOM 972 N LEU A 59 -4.229 -11.134 5.354 1.00 0.00 N ATOM 973 CA LEU A 59 -2.887 -11.382 4.847 1.00 0.00 C ATOM 974 C LEU A 59 -2.187 -10.080 4.444 1.00 0.00 C ATOM 975 O LEU A 59 -2.796 -9.194 3.852 1.00 0.00 O ATOM 976 CB LEU A 59 -2.953 -12.349 3.660 1.00 0.00 C ATOM 977 CG LEU A 59 -2.840 -11.713 2.272 1.00 0.00 C ATOM 978 CD1 LEU A 59 -2.250 -12.702 1.287 1.00 0.00 C ATOM 979 CD2 LEU A 59 -4.198 -11.219 1.795 1.00 0.00 C ATOM 0 H LEU A 59 -4.961 -11.168 4.644 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.298 -11.833 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.154 -13.082 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.895 -12.895 3.713 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.173 -10.853 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.175 -12.236 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.257 -13.002 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.892 -13.580 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.095 -10.771 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.892 -12.058 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.580 -10.475 2.493 1.00 0.00 H new ATOM 991 N TYR A 60 -0.902 -9.984 4.756 1.00 0.00 N ATOM 992 CA TYR A 60 -0.119 -8.795 4.414 1.00 0.00 C ATOM 993 C TYR A 60 1.244 -9.162 3.821 1.00 0.00 C ATOM 994 O TYR A 60 1.789 -10.228 4.102 1.00 0.00 O ATOM 995 CB TYR A 60 0.067 -7.901 5.639 1.00 0.00 C ATOM 996 CG TYR A 60 0.527 -8.625 6.888 1.00 0.00 C ATOM 997 CD1 TYR A 60 1.025 -9.921 6.830 1.00 0.00 C ATOM 998 CD2 TYR A 60 0.463 -8.005 8.129 1.00 0.00 C ATOM 999 CE1 TYR A 60 1.446 -10.578 7.970 1.00 0.00 C ATOM 1000 CE2 TYR A 60 0.882 -8.655 9.275 1.00 0.00 C ATOM 1001 CZ TYR A 60 1.372 -9.941 9.190 1.00 0.00 C ATOM 1002 OH TYR A 60 1.790 -10.591 10.328 1.00 0.00 O ATOM 0 H TYR A 60 -0.377 -10.710 5.244 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.678 -8.248 3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.793 -7.124 5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.877 -7.400 5.853 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.084 -10.424 5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.079 -6.998 8.200 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.831 -11.585 7.906 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.826 -8.158 10.232 1.00 0.00 H new ATOM 0 HH TYR A 60 1.672 -10.003 11.103 1.00 0.00 H new ATOM 1012 N ASP A 61 1.798 -8.261 3.012 1.00 0.00 N ATOM 1013 CA ASP A 61 3.109 -8.474 2.393 1.00 0.00 C ATOM 1014 C ASP A 61 3.101 -9.651 1.415 1.00 0.00 C ATOM 1015 O ASP A 61 3.356 -9.479 0.223 1.00 0.00 O ATOM 1016 CB ASP A 61 4.169 -8.705 3.475 1.00 0.00 C ATOM 1017 CG ASP A 61 5.164 -7.563 3.562 1.00 0.00 C ATOM 1018 OD1 ASP A 61 6.108 -7.534 2.745 1.00 0.00 O ATOM 1019 OD2 ASP A 61 4.998 -6.698 4.448 1.00 0.00 O ATOM 0 H ASP A 61 1.359 -7.373 2.768 1.00 0.00 H new ATOM 0 HA ASP A 61 3.350 -7.575 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.678 -8.830 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.702 -9.633 3.266 1.00 0.00 H new ATOM 1024 N LYS A 62 2.822 -10.846 1.928 1.00 0.00 N ATOM 1025 CA LYS A 62 2.795 -12.057 1.110 1.00 0.00 C ATOM 1026 C LYS A 62 1.814 -11.951 -0.061 1.00 0.00 C ATOM 1027 O LYS A 62 1.750 -12.850 -0.898 1.00 0.00 O ATOM 1028 CB LYS A 62 2.435 -13.266 1.975 1.00 0.00 C ATOM 1029 CG LYS A 62 3.617 -13.837 2.743 1.00 0.00 C ATOM 1030 CD LYS A 62 3.553 -13.474 4.219 1.00 0.00 C ATOM 1031 CE LYS A 62 4.932 -13.170 4.782 1.00 0.00 C ATOM 1032 NZ LYS A 62 5.106 -11.719 5.071 1.00 0.00 N ATOM 0 H LYS A 62 2.610 -11.003 2.913 1.00 0.00 H new ATOM 0 HA LYS A 62 3.793 -12.182 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.657 -12.978 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.015 -14.045 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.633 -14.921 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.546 -13.461 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.906 -12.607 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.105 -14.296 4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.085 -13.743 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.693 -13.493 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.640 -11.273 4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.173 -11.267 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.627 -11.603 5.964 1.00 0.00 H new ATOM 1046 N ILE A 63 1.052 -10.863 -0.122 1.00 0.00 N ATOM 1047 CA ILE A 63 0.089 -10.676 -1.200 1.00 0.00 C ATOM 1048 C ILE A 63 0.795 -10.642 -2.556 1.00 0.00 C ATOM 1049 O ILE A 63 1.511 -9.689 -2.865 1.00 0.00 O ATOM 1050 CB ILE A 63 -0.713 -9.369 -1.017 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -1.488 -9.398 0.304 1.00 0.00 C ATOM 1052 CG2 ILE A 63 -1.667 -9.160 -2.186 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -0.693 -8.896 1.496 1.00 0.00 C ATOM 0 H ILE A 63 1.083 -10.103 0.558 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.599 -11.521 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.011 -8.535 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.388 -8.792 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.813 -10.420 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.224 -8.234 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.098 -9.099 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.363 -9.997 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.310 -8.948 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.194 -9.516 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.391 -7.863 1.323 1.00 0.00 H new ATOM 1065 N PRO A 64 0.604 -11.684 -3.388 1.00 0.00 N ATOM 1066 CA PRO A 64 1.228 -11.763 -4.713 1.00 0.00 C ATOM 1067 C PRO A 64 0.693 -10.696 -5.663 1.00 0.00 C ATOM 1068 O PRO A 64 0.158 -9.676 -5.230 1.00 0.00 O ATOM 1069 CB PRO A 64 0.851 -13.165 -5.219 1.00 0.00 C ATOM 1070 CG PRO A 64 0.358 -13.903 -4.019 1.00 0.00 C ATOM 1071 CD PRO A 64 -0.227 -12.865 -3.108 1.00 0.00 C ATOM 0 HA PRO A 64 2.304 -11.596 -4.662 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.082 -13.110 -5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.711 -13.667 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.391 -14.645 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.171 -14.439 -3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.279 -12.681 -3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.166 -13.164 -2.062 1.00 0.00 H new ATOM 1079 N SER A 65 0.839 -10.941 -6.962 1.00 0.00 N ATOM 1080 CA SER A 65 0.369 -10.003 -7.974 1.00 0.00 C ATOM 1081 C SER A 65 -0.994 -10.427 -8.516 1.00 0.00 C ATOM 1082 O SER A 65 -1.762 -9.599 -9.006 1.00 0.00 O ATOM 1083 CB SER A 65 1.379 -9.906 -9.118 1.00 0.00 C ATOM 1084 OG SER A 65 1.016 -8.888 -10.035 1.00 0.00 O ATOM 0 H SER A 65 1.279 -11.781 -7.338 1.00 0.00 H new ATOM 0 HA SER A 65 0.266 -9.023 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.371 -9.700 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.438 -10.863 -9.637 1.00 0.00 H new ATOM 0 HG SER A 65 1.679 -8.846 -10.756 1.00 0.00 H new ATOM 1090 N SER A 66 -1.287 -11.721 -8.427 1.00 0.00 N ATOM 1091 CA SER A 66 -2.556 -12.252 -8.910 1.00 0.00 C ATOM 1092 C SER A 66 -3.712 -11.794 -8.025 1.00 0.00 C ATOM 1093 O SER A 66 -4.750 -11.359 -8.521 1.00 0.00 O ATOM 1094 CB SER A 66 -2.508 -13.781 -8.956 1.00 0.00 C ATOM 1095 OG SER A 66 -3.183 -14.278 -10.099 1.00 0.00 O ATOM 0 H SER A 66 -0.663 -12.420 -8.025 1.00 0.00 H new ATOM 0 HA SER A 66 -2.721 -11.869 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.471 -14.115 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.964 -14.190 -8.054 1.00 0.00 H new ATOM 0 HG SER A 66 -3.137 -15.257 -10.106 1.00 0.00 H new ATOM 1101 N VAL A 67 -3.525 -11.896 -6.713 1.00 0.00 N ATOM 1102 CA VAL A 67 -4.553 -11.492 -5.762 1.00 0.00 C ATOM 1103 C VAL A 67 -4.743 -9.979 -5.769 1.00 0.00 C ATOM 1104 O VAL A 67 -5.868 -9.484 -5.694 1.00 0.00 O ATOM 1105 CB VAL A 67 -4.205 -11.947 -4.332 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -5.373 -11.692 -3.391 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -3.811 -13.416 -4.319 1.00 0.00 C ATOM 0 H VAL A 67 -2.672 -12.255 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.480 -11.974 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.353 -11.364 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.109 -12.020 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.603 -10.627 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.246 -12.247 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.569 -13.719 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.641 -14.018 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.941 -13.565 -4.958 1.00 0.00 H new ATOM 1117 N TRP A 68 -3.636 -9.251 -5.861 1.00 0.00 N ATOM 1118 CA TRP A 68 -3.678 -7.794 -5.878 1.00 0.00 C ATOM 1119 C TRP A 68 -4.375 -7.283 -7.134 1.00 0.00 C ATOM 1120 O TRP A 68 -5.130 -6.311 -7.087 1.00 0.00 O ATOM 1121 CB TRP A 68 -2.261 -7.222 -5.792 1.00 0.00 C ATOM 1122 CG TRP A 68 -2.021 -6.410 -4.558 1.00 0.00 C ATOM 1123 CD1 TRP A 68 -0.879 -6.374 -3.812 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -2.943 -5.516 -3.924 1.00 0.00 C ATOM 1125 NE1 TRP A 68 -1.034 -5.513 -2.754 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -2.292 -4.973 -2.801 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -4.255 -5.119 -4.198 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -2.909 -4.057 -1.953 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -4.867 -4.209 -3.356 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -4.193 -3.687 -2.245 1.00 0.00 C ATOM 0 H TRP A 68 -2.698 -9.646 -5.925 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.249 -7.461 -5.011 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.544 -8.042 -5.823 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.074 -6.601 -6.668 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.016 -6.940 -4.023 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.327 -5.309 -2.048 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.782 -5.516 -5.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -2.392 -3.653 -1.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.881 -3.896 -3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -4.697 -2.978 -1.606 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.119 -7.941 -8.260 1.00 0.00 N ATOM 1142 CA LYS A 69 -4.726 -7.545 -9.527 1.00 0.00 C ATOM 1143 C LYS A 69 -6.237 -7.763 -9.502 1.00 0.00 C ATOM 1144 O LYS A 69 -6.983 -7.080 -10.202 1.00 0.00 O ATOM 1145 CB LYS A 69 -4.090 -8.316 -10.692 1.00 0.00 C ATOM 1146 CG LYS A 69 -4.548 -9.764 -10.811 1.00 0.00 C ATOM 1147 CD LYS A 69 -5.054 -10.080 -12.210 1.00 0.00 C ATOM 1148 CE LYS A 69 -6.573 -10.092 -12.265 1.00 0.00 C ATOM 1149 NZ LYS A 69 -7.123 -8.779 -12.705 1.00 0.00 N ATOM 0 H LYS A 69 -3.498 -8.748 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.541 -6.481 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.319 -7.797 -11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.006 -8.299 -10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.720 -10.429 -10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.339 -9.957 -10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.670 -9.341 -12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.670 -11.050 -12.526 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.905 -10.873 -12.949 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.970 -10.341 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.100 -8.906 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.113 -8.113 -11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.540 -8.400 -13.479 1.00 0.00 H new ATOM 1163 N PHE A 70 -6.680 -8.720 -8.692 1.00 0.00 N ATOM 1164 CA PHE A 70 -8.102 -9.027 -8.577 1.00 0.00 C ATOM 1165 C PHE A 70 -8.860 -7.863 -7.949 1.00 0.00 C ATOM 1166 O PHE A 70 -9.880 -7.417 -8.477 1.00 0.00 O ATOM 1167 CB PHE A 70 -8.306 -10.294 -7.743 1.00 0.00 C ATOM 1168 CG PHE A 70 -9.715 -10.811 -7.773 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -10.410 -10.901 -8.968 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -10.346 -11.209 -6.604 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -11.708 -11.377 -8.998 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -11.643 -11.686 -6.627 1.00 0.00 C ATOM 1173 CZ PHE A 70 -12.325 -11.770 -7.826 1.00 0.00 C ATOM 0 H PHE A 70 -6.075 -9.296 -8.106 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.495 -9.194 -9.580 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.634 -11.071 -8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.025 -10.089 -6.710 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -9.932 -10.596 -9.887 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.818 -11.145 -5.664 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.239 -11.441 -9.936 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.123 -11.993 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 70 -13.339 -12.142 -7.847 1.00 0.00 H new ATOM 1183 N ILE A 71 -8.358 -7.375 -6.819 1.00 0.00 N ATOM 1184 CA ILE A 71 -8.992 -6.262 -6.120 1.00 0.00 C ATOM 1185 C ILE A 71 -8.494 -4.922 -6.654 1.00 0.00 C ATOM 1186 O ILE A 71 -7.325 -4.782 -7.014 1.00 0.00 O ATOM 1187 CB ILE A 71 -8.737 -6.333 -4.600 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -9.521 -5.234 -3.877 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -7.247 -6.219 -4.300 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -10.229 -5.719 -2.629 1.00 0.00 C ATOM 0 H ILE A 71 -7.515 -7.732 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.064 -6.342 -6.301 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.083 -7.300 -4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.838 -4.428 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.257 -4.813 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.088 -6.271 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.714 -7.037 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.872 -5.267 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.764 -4.889 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.937 -6.504 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -9.496 -6.114 -1.925 1.00 0.00 H new