USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 743 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 63 CYS SG : rot -86:sc= 0.696 USER MOD Set 1.2: A 100 CYS SG : rot 180:sc= 0.602 USER MOD Set 2.1: A 17 GLN : amide:sc= -0.156 K(o=-0.09,f=-3!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -122:sc= 0.0659 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -79:sc= 1.97 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.4!) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.319 USER MOD Single : A 37 SER OG : rot -87:sc= 0.308 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.961 USER MOD Single : A 44 HIS : no HD1:sc=-0.00155 X(o=-0.0016,f=-0.0016) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0739 K(o=-0.074,f=-0.65) USER MOD Single : A 64 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.67) USER MOD Single : A 72 TYR OH : rot -92:sc= 0.222 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.096 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -37:sc= 0.0281 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -155:sc= -0.061 (180deg=-0.245) USER MOD Single : A 107 SER OG : rot 180:sc= 0.044 USER MOD Single : A 110 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.32) USER MOD Single : A 114 THR OG1 : rot 180:sc= -1.04 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 0.501 8.108 -18.240 1.00 62.40 N ATOM 154 CA ARG A 13 1.572 7.879 -17.277 1.00 13.43 C ATOM 155 C ARG A 13 2.623 6.930 -17.848 1.00 51.13 C ATOM 156 O ARG A 13 2.315 5.796 -18.214 1.00 65.25 O ATOM 157 CB ARG A 13 1.005 7.305 -15.977 1.00 71.33 C ATOM 158 CG ARG A 13 0.634 8.366 -14.954 1.00 64.41 C ATOM 159 CD ARG A 13 0.624 7.799 -13.543 1.00 64.44 C ATOM 160 NE ARG A 13 -0.309 6.683 -13.408 1.00 53.53 N ATOM 161 CZ ARG A 13 -0.776 6.253 -12.241 1.00 72.45 C ATOM 162 NH1 ARG A 13 -0.400 6.843 -11.115 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -1.623 5.232 -12.199 1.00 74.21 N ATOM 0 HA ARG A 13 2.047 8.837 -17.066 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.121 6.710 -16.207 1.00 71.33 H new ATOM 0 HB3 ARG A 13 1.739 6.629 -15.538 1.00 71.33 H new ATOM 0 HG2 ARG A 13 1.343 9.192 -15.011 1.00 64.41 H new ATOM 0 HG3 ARG A 13 -0.349 8.773 -15.191 1.00 64.41 H new ATOM 0 HD2 ARG A 13 1.628 7.466 -13.279 1.00 64.44 H new ATOM 0 HD3 ARG A 13 0.353 8.585 -12.838 1.00 64.44 H new ATOM 0 HE ARG A 13 -0.619 6.208 -14.256 1.00 53.53 H new ATOM 0 HH11 ARG A 13 0.249 7.629 -11.143 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -0.760 6.511 -10.220 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -1.916 4.777 -13.063 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -1.981 4.903 -11.302 1.00 74.21 H new ATOM 177 N ILE A 14 3.861 7.405 -17.921 1.00 31.23 N ATOM 178 CA ILE A 14 4.957 6.600 -18.448 1.00 21.45 C ATOM 179 C ILE A 14 5.160 5.337 -17.616 1.00 33.43 C ATOM 180 O ILE A 14 5.199 5.374 -16.386 1.00 4.22 O ATOM 181 CB ILE A 14 6.275 7.396 -18.482 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.105 8.669 -19.313 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.397 6.536 -19.043 1.00 71.10 C ATOM 184 CD1 ILE A 14 7.193 9.694 -19.076 1.00 72.40 C ATOM 0 H ILE A 14 4.131 8.342 -17.622 1.00 31.23 H new ATOM 0 HA ILE A 14 4.684 6.322 -19.466 1.00 21.45 H new ATOM 0 HB ILE A 14 6.537 7.682 -17.463 1.00 63.41 H new ATOM 0 HG12 ILE A 14 6.090 8.404 -20.370 1.00 40.21 H new ATOM 0 HG13 ILE A 14 5.138 9.117 -19.083 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.322 7.112 -19.061 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.530 5.655 -18.414 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.144 6.224 -20.056 1.00 71.10 H new ATOM 0 HD11 ILE A 14 7.009 10.570 -19.698 1.00 72.40 H new ATOM 0 HD12 ILE A 14 7.194 9.987 -18.026 1.00 72.40 H new ATOM 0 HD13 ILE A 14 8.161 9.263 -19.333 1.00 72.40 H new ATOM 196 N PRO A 15 5.293 4.192 -18.302 1.00 52.44 N ATOM 197 CA PRO A 15 5.498 2.897 -17.647 1.00 71.33 C ATOM 198 C PRO A 15 6.874 2.785 -17.000 1.00 44.54 C ATOM 199 O PRO A 15 7.608 3.768 -16.907 1.00 21.35 O ATOM 200 CB PRO A 15 5.364 1.894 -18.795 1.00 32.33 C ATOM 201 CG PRO A 15 5.724 2.667 -20.017 1.00 35.51 C ATOM 202 CD PRO A 15 5.257 4.074 -19.769 1.00 52.11 C ATOM 0 HA PRO A 15 4.789 2.734 -16.835 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.029 1.042 -18.656 1.00 32.33 H new ATOM 0 HB3 PRO A 15 4.350 1.500 -18.860 1.00 32.33 H new ATOM 0 HG2 PRO A 15 6.799 2.638 -20.194 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.244 2.246 -20.900 1.00 35.51 H new ATOM 0 HD2 PRO A 15 5.910 4.804 -20.247 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.253 4.239 -20.161 1.00 52.11 H new ATOM 210 N GLU A 16 7.217 1.580 -16.554 1.00 24.10 N ATOM 211 CA GLU A 16 8.505 1.341 -15.915 1.00 63.23 C ATOM 212 C GLU A 16 9.651 1.805 -16.810 1.00 23.52 C ATOM 213 O GLU A 16 9.499 1.905 -18.027 1.00 3.13 O ATOM 214 CB GLU A 16 8.669 -0.145 -15.587 1.00 12.45 C ATOM 215 CG GLU A 16 7.680 -0.652 -14.551 1.00 54.23 C ATOM 216 CD GLU A 16 8.225 -1.815 -13.745 1.00 62.22 C ATOM 217 OE1 GLU A 16 8.991 -1.567 -12.790 1.00 73.31 O ATOM 218 OE2 GLU A 16 7.886 -2.973 -14.069 1.00 11.13 O1- ATOM 0 H GLU A 16 6.621 0.755 -16.624 1.00 24.10 H new ATOM 0 HA GLU A 16 8.534 1.915 -14.989 1.00 63.23 H new ATOM 0 HB2 GLU A 16 8.553 -0.725 -16.502 1.00 12.45 H new ATOM 0 HB3 GLU A 16 9.682 -0.319 -15.225 1.00 12.45 H new ATOM 0 HG2 GLU A 16 7.418 0.162 -13.875 1.00 54.23 H new ATOM 0 HG3 GLU A 16 6.762 -0.960 -15.051 1.00 54.23 H new ATOM 225 N GLN A 17 10.796 2.088 -16.196 1.00 15.32 N ATOM 226 CA GLN A 17 11.967 2.543 -16.937 1.00 43.30 C ATOM 227 C GLN A 17 12.606 1.391 -17.705 1.00 14.04 C ATOM 228 O GLN A 17 12.631 0.256 -17.231 1.00 32.12 O ATOM 229 CB GLN A 17 12.988 3.167 -15.985 1.00 2.54 C ATOM 230 CG GLN A 17 13.490 2.207 -14.918 1.00 15.05 C ATOM 231 CD GLN A 17 14.906 2.515 -14.476 1.00 5.52 C ATOM 232 OE1 GLN A 17 15.709 3.043 -15.247 1.00 25.01 O ATOM 233 NE2 GLN A 17 15.223 2.187 -13.229 1.00 30.14 N ATOM 0 H GLN A 17 10.937 2.010 -15.189 1.00 15.32 H new ATOM 0 HA GLN A 17 11.642 3.297 -17.654 1.00 43.30 H new ATOM 0 HB2 GLN A 17 13.837 3.531 -16.564 1.00 2.54 H new ATOM 0 HB3 GLN A 17 12.538 4.033 -15.500 1.00 2.54 H new ATOM 0 HG2 GLN A 17 12.826 2.250 -14.054 1.00 15.05 H new ATOM 0 HG3 GLN A 17 13.447 1.188 -15.302 1.00 15.05 H new ATOM 0 HE21 GLN A 17 14.527 1.751 -12.624 1.00 30.14 H new ATOM 0 HE22 GLN A 17 16.162 2.371 -12.876 1.00 30.14 H new ATOM 242 N ILE A 18 13.121 1.692 -18.893 1.00 24.21 N ATOM 243 CA ILE A 18 13.761 0.682 -19.726 1.00 45.03 C ATOM 244 C ILE A 18 15.130 1.152 -20.206 1.00 53.13 C ATOM 245 O ILE A 18 15.539 2.281 -19.938 1.00 34.14 O ATOM 246 CB ILE A 18 12.894 0.328 -20.948 1.00 12.34 C ATOM 247 CG1 ILE A 18 12.653 1.570 -21.807 1.00 64.44 C ATOM 248 CG2 ILE A 18 11.571 -0.279 -20.502 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.589 1.678 -22.991 1.00 51.52 C ATOM 0 H ILE A 18 13.107 2.627 -19.300 1.00 24.21 H new ATOM 0 HA ILE A 18 13.882 -0.207 -19.107 1.00 45.03 H new ATOM 0 HB ILE A 18 13.425 -0.409 -21.550 1.00 12.34 H new ATOM 0 HG12 ILE A 18 11.624 1.558 -22.167 1.00 64.44 H new ATOM 0 HG13 ILE A 18 12.763 2.459 -21.185 1.00 64.44 H new ATOM 0 HG21 ILE A 18 10.969 -0.524 -21.377 1.00 30.13 H new ATOM 0 HG22 ILE A 18 11.762 -1.186 -19.928 1.00 30.13 H new ATOM 0 HG23 ILE A 18 11.033 0.437 -19.881 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.360 2.582 -23.555 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.619 1.722 -22.638 1.00 51.52 H new ATOM 0 HD13 ILE A 18 13.463 0.808 -23.635 1.00 51.52 H new ATOM 261 N ARG A 19 15.832 0.278 -20.919 1.00 71.23 N ATOM 262 CA ARG A 19 17.155 0.604 -21.439 1.00 75.34 C ATOM 263 C ARG A 19 17.147 0.638 -22.964 1.00 62.41 C ATOM 264 O ARG A 19 16.531 -0.210 -23.610 1.00 51.13 O ATOM 265 CB ARG A 19 18.185 -0.415 -20.946 1.00 70.32 C ATOM 266 CG ARG A 19 19.564 -0.231 -21.558 1.00 12.13 C ATOM 267 CD ARG A 19 20.657 -0.735 -20.628 1.00 72.31 C ATOM 268 NE ARG A 19 20.733 -2.193 -20.614 1.00 22.42 N ATOM 269 CZ ARG A 19 21.746 -2.870 -20.083 1.00 11.21 C ATOM 270 NH1 ARG A 19 22.760 -2.224 -19.525 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 21.743 -4.197 -20.108 1.00 23.13 N ATOM 0 H ARG A 19 15.507 -0.661 -21.150 1.00 71.23 H new ATOM 0 HA ARG A 19 17.428 1.594 -21.073 1.00 75.34 H new ATOM 0 HB2 ARG A 19 18.265 -0.342 -19.861 1.00 70.32 H new ATOM 0 HB3 ARG A 19 17.827 -1.419 -21.172 1.00 70.32 H new ATOM 0 HG2 ARG A 19 19.617 -0.765 -22.507 1.00 12.13 H new ATOM 0 HG3 ARG A 19 19.729 0.824 -21.777 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.617 -0.325 -20.941 1.00 72.31 H new ATOM 0 HD3 ARG A 19 20.469 -0.372 -19.618 1.00 72.31 H new ATOM 0 HE ARG A 19 19.968 -2.720 -21.034 1.00 22.42 H new ATOM 0 HH11 ARG A 19 22.764 -1.204 -19.502 1.00 43.31 H new ATOM 0 HH12 ARG A 19 23.536 -2.747 -19.118 1.00 43.31 H new ATOM 0 HH21 ARG A 19 20.963 -4.697 -20.535 1.00 23.13 H new ATOM 0 HH22 ARG A 19 22.520 -4.717 -19.700 1.00 23.13 H new ATOM 285 N ILE A 20 17.834 1.623 -23.532 1.00 35.55 N ATOM 286 CA ILE A 20 17.907 1.767 -24.981 1.00 64.45 C ATOM 287 C ILE A 20 19.328 1.544 -25.486 1.00 32.03 C ATOM 288 O ILE A 20 20.277 1.504 -24.702 1.00 53.21 O ATOM 289 CB ILE A 20 17.425 3.158 -25.434 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.162 4.253 -24.659 1.00 15.54 C ATOM 291 CG2 ILE A 20 15.922 3.288 -25.241 1.00 21.23 C ATOM 292 CD1 ILE A 20 17.820 5.653 -25.120 1.00 21.13 C ATOM 0 H ILE A 20 18.348 2.333 -23.011 1.00 35.55 H new ATOM 0 HA ILE A 20 17.250 1.008 -25.406 1.00 64.45 H new ATOM 0 HB ILE A 20 17.647 3.275 -26.495 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.924 4.160 -23.599 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.236 4.098 -24.760 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.598 4.277 -25.566 1.00 21.23 H new ATOM 0 HG22 ILE A 20 15.412 2.527 -25.831 1.00 21.23 H new ATOM 0 HG23 ILE A 20 15.678 3.154 -24.187 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.378 6.378 -24.527 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.084 5.764 -26.172 1.00 21.13 H new ATOM 0 HD13 ILE A 20 16.751 5.827 -24.993 1.00 21.13 H new ATOM 304 N PHE A 21 19.469 1.402 -26.799 1.00 73.53 N ATOM 305 CA PHE A 21 20.775 1.184 -27.409 1.00 64.54 C ATOM 306 C PHE A 21 21.182 2.381 -28.265 1.00 32.43 C ATOM 307 O PHE A 21 20.447 2.797 -29.161 1.00 22.23 O ATOM 308 CB PHE A 21 20.758 -0.085 -28.263 1.00 22.21 C ATOM 309 CG PHE A 21 21.501 -1.234 -27.644 1.00 75.22 C ATOM 310 CD1 PHE A 21 21.269 -1.597 -26.327 1.00 21.22 C ATOM 311 CD2 PHE A 21 22.432 -1.951 -28.378 1.00 14.32 C ATOM 312 CE1 PHE A 21 21.951 -2.655 -25.755 1.00 63.25 C ATOM 313 CE2 PHE A 21 23.116 -3.009 -27.811 1.00 44.12 C ATOM 314 CZ PHE A 21 22.877 -3.360 -26.497 1.00 20.14 C ATOM 0 H PHE A 21 18.694 1.434 -27.462 1.00 73.53 H new ATOM 0 HA PHE A 21 21.506 1.065 -26.609 1.00 64.54 H new ATOM 0 HB2 PHE A 21 19.724 -0.383 -28.437 1.00 22.21 H new ATOM 0 HB3 PHE A 21 21.194 0.136 -29.237 1.00 22.21 H new ATOM 0 HD1 PHE A 21 20.547 -1.047 -25.741 1.00 21.22 H new ATOM 0 HD2 PHE A 21 22.625 -1.680 -29.405 1.00 14.32 H new ATOM 0 HE1 PHE A 21 21.759 -2.930 -24.728 1.00 63.25 H new ATOM 0 HE2 PHE A 21 23.837 -3.561 -28.395 1.00 44.12 H new ATOM 0 HZ PHE A 21 23.413 -4.184 -26.051 1.00 20.14 H new ATOM 324 N PHE A 22 22.359 2.931 -27.981 1.00 34.14 N ATOM 325 CA PHE A 22 22.863 4.080 -28.723 1.00 71.33 C ATOM 326 C PHE A 22 23.773 3.634 -29.864 1.00 24.13 C ATOM 327 O PHE A 22 24.936 3.291 -29.649 1.00 42.03 O ATOM 328 CB PHE A 22 23.624 5.023 -27.788 1.00 34.11 C ATOM 329 CG PHE A 22 23.095 6.428 -27.794 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.554 6.984 -26.646 1.00 55.45 C ATOM 331 CD2 PHE A 22 23.139 7.194 -28.948 1.00 11.41 C ATOM 332 CE1 PHE A 22 22.066 8.278 -26.648 1.00 43.04 C ATOM 333 CE2 PHE A 22 22.653 8.488 -28.956 1.00 34.04 C ATOM 334 CZ PHE A 22 22.115 9.029 -27.805 1.00 31.31 C ATOM 0 H PHE A 22 22.980 2.599 -27.243 1.00 34.14 H new ATOM 0 HA PHE A 22 22.010 4.610 -29.148 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.578 4.630 -26.772 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.675 5.038 -28.076 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.513 6.400 -25.739 1.00 55.45 H new ATOM 0 HD2 PHE A 22 23.558 6.775 -29.851 1.00 11.41 H new ATOM 0 HE1 PHE A 22 21.647 8.700 -25.746 1.00 43.04 H new ATOM 0 HE2 PHE A 22 22.694 9.075 -29.861 1.00 34.04 H new ATOM 0 HZ PHE A 22 21.733 10.039 -27.810 1.00 31.31 H new ATOM 344 N LYS A 23 23.235 3.641 -31.079 1.00 30.42 N ATOM 345 CA LYS A 23 23.996 3.239 -32.256 1.00 1.30 C ATOM 346 C LYS A 23 24.578 4.455 -32.970 1.00 12.33 C ATOM 347 O LYS A 23 23.862 5.410 -33.275 1.00 50.24 O ATOM 348 CB LYS A 23 23.108 2.447 -33.217 1.00 51.30 C ATOM 349 CG LYS A 23 23.360 0.950 -33.185 1.00 73.32 C ATOM 350 CD LYS A 23 24.042 0.471 -34.455 1.00 53.34 C ATOM 351 CE LYS A 23 23.524 -0.892 -34.887 1.00 11.44 C ATOM 352 NZ LYS A 23 24.248 -2.002 -34.205 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.274 3.921 -31.274 1.00 30.42 H new ATOM 0 HA LYS A 23 24.819 2.605 -31.926 1.00 1.30 H new ATOM 0 HB2 LYS A 23 22.063 2.636 -32.972 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.269 2.812 -34.231 1.00 51.30 H new ATOM 0 HG2 LYS A 23 23.980 0.703 -32.323 1.00 73.32 H new ATOM 0 HG3 LYS A 23 22.414 0.424 -33.059 1.00 73.32 H new ATOM 0 HD2 LYS A 23 23.875 1.194 -35.253 1.00 53.34 H new ATOM 0 HD3 LYS A 23 25.119 0.417 -34.293 1.00 53.34 H new ATOM 0 HE2 LYS A 23 22.459 -0.963 -34.666 1.00 11.44 H new ATOM 0 HE3 LYS A 23 23.633 -0.997 -35.967 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 23.866 -2.915 -34.526 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 25.261 -1.950 -34.436 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 24.123 -1.917 -33.176 1.00 75.34 H new ATOM 366 N THR A 24 25.880 4.414 -33.234 1.00 1.24 N ATOM 367 CA THR A 24 26.557 5.512 -33.913 1.00 41.43 C ATOM 368 C THR A 24 27.338 5.013 -35.123 1.00 55.05 C ATOM 369 O THR A 24 27.407 3.810 -35.377 1.00 23.40 O ATOM 370 CB THR A 24 27.520 6.250 -32.963 1.00 24.11 C ATOM 371 OG1 THR A 24 28.713 5.480 -32.781 1.00 65.51 O ATOM 372 CG2 THR A 24 26.862 6.505 -31.616 1.00 50.11 C ATOM 0 H THR A 24 26.487 3.632 -32.988 1.00 1.24 H new ATOM 0 HA THR A 24 25.783 6.204 -34.245 1.00 41.43 H new ATOM 0 HB THR A 24 27.774 7.211 -33.411 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.544 4.763 -32.135 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.561 7.027 -30.963 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.971 7.117 -31.756 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.582 5.554 -31.162 1.00 50.11 H new ATOM 380 N MET A 25 27.926 5.943 -35.868 1.00 73.10 N ATOM 381 CA MET A 25 28.705 5.596 -37.051 1.00 52.45 C ATOM 382 C MET A 25 30.053 5.000 -36.659 1.00 2.30 C ATOM 383 O MET A 25 30.795 4.505 -37.508 1.00 33.11 O ATOM 384 CB MET A 25 28.916 6.832 -37.929 1.00 30.23 C ATOM 385 CG MET A 25 29.130 6.503 -39.397 1.00 63.33 C ATOM 386 SD MET A 25 27.641 5.870 -40.192 1.00 45.42 S ATOM 387 CE MET A 25 28.334 4.604 -41.251 1.00 4.22 C ATOM 0 H MET A 25 27.878 6.943 -35.673 1.00 73.10 H new ATOM 0 HA MET A 25 28.148 4.848 -37.616 1.00 52.45 H new ATOM 0 HB2 MET A 25 28.050 7.487 -37.834 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.778 7.387 -37.560 1.00 30.23 H new ATOM 0 HG2 MET A 25 29.464 7.399 -39.921 1.00 63.33 H new ATOM 0 HG3 MET A 25 29.927 5.765 -39.487 1.00 63.33 H new ATOM 0 HE1 MET A 25 27.534 4.119 -41.810 1.00 4.22 H new ATOM 0 HE2 MET A 25 29.040 5.058 -41.947 1.00 4.22 H new ATOM 0 HE3 MET A 25 28.851 3.863 -40.642 1.00 4.22 H new ATOM 397 N LYS A 26 30.363 5.048 -35.367 1.00 24.12 N ATOM 398 CA LYS A 26 31.622 4.511 -34.862 1.00 45.31 C ATOM 399 C LYS A 26 31.396 3.186 -34.141 1.00 52.32 C ATOM 400 O LYS A 26 32.205 2.265 -34.250 1.00 42.42 O ATOM 401 CB LYS A 26 32.284 5.514 -33.915 1.00 13.34 C ATOM 402 CG LYS A 26 33.798 5.402 -33.872 1.00 61.12 C ATOM 403 CD LYS A 26 34.456 6.770 -33.801 1.00 13.14 C ATOM 404 CE LYS A 26 35.754 6.805 -34.591 1.00 42.23 C ATOM 405 NZ LYS A 26 36.143 8.195 -34.959 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.760 5.453 -34.651 1.00 24.12 H new ATOM 0 HA LYS A 26 32.281 4.334 -35.712 1.00 45.31 H new ATOM 0 HB2 LYS A 26 32.011 6.524 -34.221 1.00 13.34 H new ATOM 0 HB3 LYS A 26 31.889 5.368 -32.910 1.00 13.34 H new ATOM 0 HG2 LYS A 26 34.096 4.809 -33.007 1.00 61.12 H new ATOM 0 HG3 LYS A 26 34.150 4.873 -34.758 1.00 61.12 H new ATOM 0 HD2 LYS A 26 33.772 7.525 -34.189 1.00 13.14 H new ATOM 0 HD3 LYS A 26 34.655 7.026 -32.760 1.00 13.14 H new ATOM 0 HE2 LYS A 26 36.550 6.349 -34.002 1.00 42.23 H new ATOM 0 HE3 LYS A 26 35.645 6.207 -35.496 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 37.033 8.176 -35.497 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 35.395 8.622 -35.542 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 36.273 8.759 -34.095 1.00 4.53 H new ATOM 419 N GLN A 27 30.293 3.098 -33.405 1.00 23.51 N ATOM 420 CA GLN A 27 29.963 1.884 -32.667 1.00 54.41 C ATOM 421 C GLN A 27 28.665 2.059 -31.885 1.00 32.12 C ATOM 422 O GLN A 27 28.076 3.139 -31.874 1.00 31.42 O ATOM 423 CB GLN A 27 31.102 1.517 -31.712 1.00 35.15 C ATOM 424 CG GLN A 27 31.640 2.701 -30.925 1.00 31.13 C ATOM 425 CD GLN A 27 32.244 2.292 -29.595 1.00 41.01 C ATOM 426 OE1 GLN A 27 32.089 1.152 -29.155 1.00 14.54 O ATOM 427 NE2 GLN A 27 32.936 3.221 -28.948 1.00 44.23 N ATOM 0 H GLN A 27 29.613 3.852 -33.304 1.00 23.51 H new ATOM 0 HA GLN A 27 29.827 1.077 -33.387 1.00 54.41 H new ATOM 0 HB2 GLN A 27 30.750 0.757 -31.014 1.00 35.15 H new ATOM 0 HB3 GLN A 27 31.916 1.071 -32.284 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.395 3.215 -31.520 1.00 31.13 H new ATOM 0 HG3 GLN A 27 30.833 3.413 -30.750 1.00 31.13 H new ATOM 0 HE21 GLN A 27 33.039 4.153 -29.350 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.365 3.003 -28.049 1.00 44.23 H new ATOM 436 N VAL A 28 28.225 0.987 -31.233 1.00 3.05 N ATOM 437 CA VAL A 28 26.996 1.022 -30.448 1.00 24.14 C ATOM 438 C VAL A 28 27.295 0.942 -28.955 1.00 72.01 C ATOM 439 O VAL A 28 28.249 0.287 -28.536 1.00 14.41 O ATOM 440 CB VAL A 28 26.051 -0.131 -30.833 1.00 50.21 C ATOM 441 CG1 VAL A 28 26.751 -1.473 -30.672 1.00 4.54 C ATOM 442 CG2 VAL A 28 24.781 -0.081 -29.998 1.00 44.43 C ATOM 0 H VAL A 28 28.701 0.085 -31.233 1.00 3.05 H new ATOM 0 HA VAL A 28 26.507 1.971 -30.668 1.00 24.14 H new ATOM 0 HB VAL A 28 25.775 -0.015 -31.881 1.00 50.21 H new ATOM 0 HG11 VAL A 28 26.067 -2.276 -30.949 1.00 4.54 H new ATOM 0 HG12 VAL A 28 27.629 -1.505 -31.318 1.00 4.54 H new ATOM 0 HG13 VAL A 28 27.059 -1.601 -29.634 1.00 4.54 H new ATOM 0 HG21 VAL A 28 24.125 -0.903 -30.284 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.036 -0.170 -28.942 1.00 44.43 H new ATOM 0 HG23 VAL A 28 24.270 0.867 -30.169 1.00 44.43 H new ATOM 452 N VAL A 29 26.473 1.615 -28.156 1.00 62.35 N ATOM 453 CA VAL A 29 26.648 1.620 -26.708 1.00 73.41 C ATOM 454 C VAL A 29 25.302 1.593 -25.992 1.00 41.43 C ATOM 455 O VAL A 29 24.401 2.379 -26.282 1.00 63.42 O ATOM 456 CB VAL A 29 27.440 2.855 -26.242 1.00 24.34 C ATOM 457 CG1 VAL A 29 27.312 3.036 -24.738 1.00 32.35 C ATOM 458 CG2 VAL A 29 28.901 2.735 -26.650 1.00 63.42 C ATOM 0 H VAL A 29 25.679 2.164 -28.487 1.00 62.35 H new ATOM 0 HA VAL A 29 27.210 0.721 -26.454 1.00 73.41 H new ATOM 0 HB VAL A 29 27.022 3.737 -26.726 1.00 24.34 H new ATOM 0 HG11 VAL A 29 27.879 3.914 -24.428 1.00 32.35 H new ATOM 0 HG12 VAL A 29 26.263 3.170 -24.476 1.00 32.35 H new ATOM 0 HG13 VAL A 29 27.703 2.154 -24.231 1.00 32.35 H new ATOM 0 HG21 VAL A 29 29.447 3.616 -26.313 1.00 63.42 H new ATOM 0 HG22 VAL A 29 29.334 1.844 -26.195 1.00 63.42 H new ATOM 0 HG23 VAL A 29 28.971 2.658 -27.735 1.00 63.42 H new ATOM 468 N PRO A 30 25.161 0.665 -25.033 1.00 73.00 N ATOM 469 CA PRO A 30 23.928 0.514 -24.254 1.00 3.14 C ATOM 470 C PRO A 30 23.701 1.680 -23.298 1.00 71.14 C ATOM 471 O PRO A 30 24.525 1.949 -22.425 1.00 11.03 O ATOM 472 CB PRO A 30 24.160 -0.781 -23.472 1.00 20.11 C ATOM 473 CG PRO A 30 25.641 -0.902 -23.370 1.00 44.03 C ATOM 474 CD PRO A 30 26.194 -0.306 -24.634 1.00 41.22 C ATOM 0 HA PRO A 30 23.043 0.491 -24.890 1.00 3.14 H new ATOM 0 HB2 PRO A 30 23.698 -0.736 -22.486 1.00 20.11 H new ATOM 0 HB3 PRO A 30 23.727 -1.638 -23.988 1.00 20.11 H new ATOM 0 HG2 PRO A 30 26.016 -0.374 -22.493 1.00 44.03 H new ATOM 0 HG3 PRO A 30 25.941 -1.945 -23.267 1.00 44.03 H new ATOM 0 HD2 PRO A 30 27.156 0.178 -24.463 1.00 41.22 H new ATOM 0 HD3 PRO A 30 26.351 -1.064 -25.401 1.00 41.22 H new ATOM 482 N ALA A 31 22.575 2.368 -23.468 1.00 53.34 N ATOM 483 CA ALA A 31 22.238 3.503 -22.618 1.00 43.44 C ATOM 484 C ALA A 31 20.911 3.277 -21.903 1.00 41.51 C ATOM 485 O ALA A 31 19.859 3.178 -22.537 1.00 52.01 O ATOM 486 CB ALA A 31 22.186 4.781 -23.441 1.00 11.05 C ATOM 0 H ALA A 31 21.882 2.158 -24.186 1.00 53.34 H new ATOM 0 HA ALA A 31 23.016 3.603 -21.861 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.933 5.621 -22.794 1.00 11.05 H new ATOM 0 HB2 ALA A 31 23.158 4.957 -23.901 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.429 4.682 -24.219 1.00 11.05 H new ATOM 492 N LYS A 32 20.964 3.196 -20.577 1.00 42.21 N ATOM 493 CA LYS A 32 19.766 2.983 -19.774 1.00 42.03 C ATOM 494 C LYS A 32 18.919 4.251 -19.713 1.00 53.43 C ATOM 495 O LYS A 32 19.444 5.351 -19.544 1.00 15.15 O ATOM 496 CB LYS A 32 20.147 2.542 -18.359 1.00 10.13 C ATOM 497 CG LYS A 32 18.954 2.175 -17.494 1.00 15.14 C ATOM 498 CD LYS A 32 19.319 1.127 -16.456 1.00 43.25 C ATOM 499 CE LYS A 32 18.274 1.044 -15.355 1.00 41.14 C ATOM 500 NZ LYS A 32 18.512 2.054 -14.287 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.825 3.275 -20.036 1.00 42.21 H new ATOM 0 HA LYS A 32 19.177 2.197 -20.246 1.00 42.03 H new ATOM 0 HB2 LYS A 32 20.816 1.684 -18.423 1.00 10.13 H new ATOM 0 HB3 LYS A 32 20.703 3.345 -17.875 1.00 10.13 H new ATOM 0 HG2 LYS A 32 18.577 3.068 -16.994 1.00 15.14 H new ATOM 0 HG3 LYS A 32 18.148 1.799 -18.124 1.00 15.14 H new ATOM 0 HD2 LYS A 32 19.418 0.155 -16.939 1.00 43.25 H new ATOM 0 HD3 LYS A 32 20.289 1.367 -16.021 1.00 43.25 H new ATOM 0 HE2 LYS A 32 17.283 1.195 -15.783 1.00 41.14 H new ATOM 0 HE3 LYS A 32 18.284 0.045 -14.919 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 18.625 1.572 -13.372 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 19.376 2.592 -14.504 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 17.702 2.705 -14.238 1.00 23.12 H new ATOM 514 N ALA A 33 17.608 4.087 -19.849 1.00 74.42 N ATOM 515 CA ALA A 33 16.689 5.218 -19.805 1.00 62.44 C ATOM 516 C ALA A 33 15.828 5.178 -18.548 1.00 33.43 C ATOM 517 O ALA A 33 15.466 4.104 -18.065 1.00 52.11 O ATOM 518 CB ALA A 33 15.811 5.233 -21.048 1.00 44.12 C ATOM 0 H ALA A 33 17.158 3.183 -19.991 1.00 74.42 H new ATOM 0 HA ALA A 33 17.280 6.133 -19.779 1.00 62.44 H new ATOM 0 HB1 ALA A 33 15.130 6.083 -21.002 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.438 5.318 -21.935 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.235 4.309 -21.098 1.00 44.12 H new ATOM 524 N VAL A 34 15.504 6.354 -18.020 1.00 63.33 N ATOM 525 CA VAL A 34 14.685 6.452 -16.817 1.00 45.44 C ATOM 526 C VAL A 34 13.279 6.939 -17.148 1.00 54.42 C ATOM 527 O VAL A 34 13.073 7.654 -18.130 1.00 75.20 O ATOM 528 CB VAL A 34 15.316 7.405 -15.784 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.581 7.316 -14.456 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.795 7.095 -15.608 1.00 72.31 C ATOM 0 H VAL A 34 15.796 7.252 -18.406 1.00 63.33 H new ATOM 0 HA VAL A 34 14.629 5.451 -16.390 1.00 45.44 H new ATOM 0 HB VAL A 34 15.224 8.426 -16.153 1.00 12.22 H new ATOM 0 HG11 VAL A 34 15.041 7.996 -13.739 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.536 7.592 -14.599 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.638 6.296 -14.076 1.00 2.34 H new ATOM 0 HG21 VAL A 34 17.225 7.777 -14.875 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.913 6.068 -15.261 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.308 7.217 -16.562 1.00 72.31 H new ATOM 540 N CYS A 35 12.314 6.549 -16.323 1.00 52.54 N ATOM 541 CA CYS A 35 10.925 6.945 -16.529 1.00 31.55 C ATOM 542 C CYS A 35 10.806 8.461 -16.656 1.00 12.13 C ATOM 543 O CYS A 35 10.980 9.191 -15.682 1.00 51.25 O ATOM 544 CB CYS A 35 10.055 6.448 -15.374 1.00 11.41 C ATOM 545 SG CYS A 35 8.343 7.026 -15.437 1.00 13.12 S ATOM 0 H CYS A 35 12.467 5.959 -15.505 1.00 52.54 H new ATOM 0 HA CYS A 35 10.577 6.492 -17.457 1.00 31.55 H new ATOM 0 HB2 CYS A 35 10.059 5.358 -15.373 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.501 6.769 -14.433 1.00 11.41 H new ATOM 0 HG CYS A 35 7.687 6.551 -14.420 1.00 13.12 H new ATOM 551 N GLY A 36 10.508 8.926 -17.865 1.00 33.13 N ATOM 552 CA GLY A 36 10.372 10.352 -18.098 1.00 22.01 C ATOM 553 C GLY A 36 11.684 11.004 -18.484 1.00 2.31 C ATOM 554 O GLY A 36 11.865 12.208 -18.302 1.00 12.12 O ATOM 0 H GLY A 36 10.358 8.341 -18.687 1.00 33.13 H new ATOM 0 HA2 GLY A 36 9.640 10.520 -18.888 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.984 10.829 -17.198 1.00 22.01 H new ATOM 558 N SER A 37 12.605 10.207 -19.018 1.00 14.13 N ATOM 559 CA SER A 37 13.910 10.713 -19.426 1.00 31.10 C ATOM 560 C SER A 37 13.933 11.013 -20.922 1.00 73.20 C ATOM 561 O SER A 37 12.953 10.781 -21.630 1.00 73.03 O ATOM 562 CB SER A 37 15.004 9.701 -19.080 1.00 61.42 C ATOM 563 OG SER A 37 15.040 8.646 -20.025 1.00 54.42 O ATOM 0 H SER A 37 12.471 9.209 -19.178 1.00 14.13 H new ATOM 0 HA SER A 37 14.098 11.640 -18.884 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.972 10.202 -19.053 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.827 9.295 -18.084 1.00 61.42 H new ATOM 0 HG SER A 37 14.405 7.948 -19.761 1.00 54.42 H new ATOM 569 N THR A 38 15.062 11.530 -21.397 1.00 25.44 N ATOM 570 CA THR A 38 15.215 11.863 -22.808 1.00 13.34 C ATOM 571 C THR A 38 16.555 11.374 -23.347 1.00 44.22 C ATOM 572 O THR A 38 17.528 11.256 -22.603 1.00 73.14 O ATOM 573 CB THR A 38 15.104 13.382 -23.042 1.00 44.44 C ATOM 574 OG1 THR A 38 16.296 14.035 -22.593 1.00 11.42 O ATOM 575 CG2 THR A 38 13.900 13.956 -22.311 1.00 11.40 C ATOM 0 H THR A 38 15.883 11.727 -20.825 1.00 25.44 H new ATOM 0 HA THR A 38 14.407 11.360 -23.340 1.00 13.34 H new ATOM 0 HB THR A 38 14.976 13.554 -24.111 1.00 44.44 H new ATOM 0 HG1 THR A 38 16.218 15.000 -22.747 1.00 11.42 H new ATOM 0 HG21 THR A 38 13.843 15.029 -22.491 1.00 11.40 H new ATOM 0 HG22 THR A 38 12.991 13.478 -22.676 1.00 11.40 H new ATOM 0 HG23 THR A 38 14.002 13.773 -21.241 1.00 11.40 H new ATOM 583 N VAL A 39 16.598 11.090 -24.645 1.00 70.42 N ATOM 584 CA VAL A 39 17.819 10.615 -25.284 1.00 33.14 C ATOM 585 C VAL A 39 19.013 11.480 -24.896 1.00 42.12 C ATOM 586 O VAL A 39 19.978 10.996 -24.302 1.00 10.21 O ATOM 587 CB VAL A 39 17.682 10.604 -26.818 1.00 65.42 C ATOM 588 CG1 VAL A 39 17.225 9.238 -27.304 1.00 4.01 C ATOM 589 CG2 VAL A 39 16.720 11.691 -27.274 1.00 35.23 C ATOM 0 H VAL A 39 15.801 11.181 -25.275 1.00 70.42 H new ATOM 0 HA VAL A 39 17.984 9.596 -24.935 1.00 33.14 H new ATOM 0 HB VAL A 39 18.660 10.809 -27.254 1.00 65.42 H new ATOM 0 HG11 VAL A 39 17.134 9.250 -28.390 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.955 8.484 -27.009 1.00 4.01 H new ATOM 0 HG13 VAL A 39 16.258 8.999 -26.861 1.00 4.01 H new ATOM 0 HG21 VAL A 39 16.635 11.669 -28.360 1.00 35.23 H new ATOM 0 HG22 VAL A 39 15.740 11.519 -26.830 1.00 35.23 H new ATOM 0 HG23 VAL A 39 17.095 12.665 -26.959 1.00 35.23 H new ATOM 599 N LEU A 40 18.943 12.762 -25.237 1.00 4.40 N ATOM 600 CA LEU A 40 20.019 13.696 -24.925 1.00 4.13 C ATOM 601 C LEU A 40 20.351 13.667 -23.436 1.00 3.52 C ATOM 602 O LEU A 40 21.507 13.834 -23.045 1.00 65.40 O ATOM 603 CB LEU A 40 19.627 15.114 -25.344 1.00 11.34 C ATOM 604 CG LEU A 40 18.172 15.509 -25.096 1.00 34.30 C ATOM 605 CD1 LEU A 40 18.089 16.919 -24.532 1.00 31.55 C ATOM 606 CD2 LEU A 40 17.363 15.399 -26.380 1.00 22.30 C ATOM 0 H LEU A 40 18.153 13.178 -25.729 1.00 4.40 H new ATOM 0 HA LEU A 40 20.905 13.391 -25.482 1.00 4.13 H new ATOM 0 HB2 LEU A 40 20.269 15.818 -24.815 1.00 11.34 H new ATOM 0 HB3 LEU A 40 19.837 15.228 -26.407 1.00 11.34 H new ATOM 0 HG LEU A 40 17.750 14.821 -24.363 1.00 34.30 H new ATOM 0 HD11 LEU A 40 17.045 17.182 -24.362 1.00 31.55 H new ATOM 0 HD12 LEU A 40 18.633 16.966 -23.589 1.00 31.55 H new ATOM 0 HD13 LEU A 40 18.529 17.621 -25.240 1.00 31.55 H new ATOM 0 HD21 LEU A 40 16.329 15.684 -26.184 1.00 22.30 H new ATOM 0 HD22 LEU A 40 17.786 16.062 -27.134 1.00 22.30 H new ATOM 0 HD23 LEU A 40 17.394 14.371 -26.742 1.00 22.30 H new ATOM 618 N ASP A 41 19.332 13.453 -22.613 1.00 72.45 N ATOM 619 CA ASP A 41 19.515 13.399 -21.166 1.00 42.14 C ATOM 620 C ASP A 41 20.224 12.111 -20.757 1.00 25.23 C ATOM 621 O ASP A 41 20.902 12.062 -19.731 1.00 10.41 O ATOM 622 CB ASP A 41 18.165 13.501 -20.456 1.00 13.44 C ATOM 623 CG ASP A 41 18.303 13.473 -18.946 1.00 24.42 C ATOM 624 OD1 ASP A 41 17.715 12.571 -18.313 1.00 41.20 O ATOM 625 OD2 ASP A 41 18.999 14.353 -18.398 1.00 64.23 O1- ATOM 0 H ASP A 41 18.370 13.314 -22.922 1.00 72.45 H new ATOM 0 HA ASP A 41 20.136 14.244 -20.870 1.00 42.14 H new ATOM 0 HB2 ASP A 41 17.669 14.424 -20.756 1.00 13.44 H new ATOM 0 HB3 ASP A 41 17.526 12.677 -20.775 1.00 13.44 H new ATOM 630 N VAL A 42 20.062 11.069 -21.566 1.00 2.11 N ATOM 631 CA VAL A 42 20.686 9.780 -21.289 1.00 13.25 C ATOM 632 C VAL A 42 22.170 9.801 -21.640 1.00 11.24 C ATOM 633 O VAL A 42 23.002 9.300 -20.886 1.00 54.34 O ATOM 634 CB VAL A 42 20.000 8.645 -22.072 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.634 7.304 -21.733 1.00 3.53 C ATOM 636 CG2 VAL A 42 18.507 8.625 -21.783 1.00 61.21 C ATOM 0 H VAL A 42 19.504 11.092 -22.419 1.00 2.11 H new ATOM 0 HA VAL A 42 20.571 9.595 -20.221 1.00 13.25 H new ATOM 0 HB VAL A 42 20.138 8.827 -23.138 1.00 43.20 H new ATOM 0 HG11 VAL A 42 20.137 6.514 -22.295 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.692 7.325 -21.995 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.528 7.111 -20.665 1.00 3.53 H new ATOM 0 HG21 VAL A 42 18.038 7.817 -22.345 1.00 61.21 H new ATOM 0 HG22 VAL A 42 18.345 8.467 -20.717 1.00 61.21 H new ATOM 0 HG23 VAL A 42 18.066 9.576 -22.080 1.00 61.21 H new ATOM 646 N ALA A 43 22.492 10.386 -22.788 1.00 21.42 N ATOM 647 CA ALA A 43 23.875 10.475 -23.238 1.00 20.42 C ATOM 648 C ALA A 43 24.754 11.137 -22.182 1.00 42.52 C ATOM 649 O ALA A 43 25.954 10.869 -22.102 1.00 14.32 O ATOM 650 CB ALA A 43 23.956 11.240 -24.550 1.00 62.22 C ATOM 0 H ALA A 43 21.814 10.806 -23.424 1.00 21.42 H new ATOM 0 HA ALA A 43 24.244 9.462 -23.398 1.00 20.42 H new ATOM 0 HB1 ALA A 43 24.995 11.298 -24.874 1.00 62.22 H new ATOM 0 HB2 ALA A 43 23.368 10.724 -25.309 1.00 62.22 H new ATOM 0 HB3 ALA A 43 23.563 12.247 -24.409 1.00 62.22 H new ATOM 656 N HIS A 44 24.150 12.002 -21.374 1.00 12.51 N ATOM 657 CA HIS A 44 24.879 12.704 -20.323 1.00 50.24 C ATOM 658 C HIS A 44 25.216 11.759 -19.173 1.00 54.31 C ATOM 659 O HIS A 44 26.198 11.959 -18.458 1.00 12.45 O ATOM 660 CB HIS A 44 24.059 13.885 -19.805 1.00 75.20 C ATOM 661 CG HIS A 44 24.699 14.602 -18.657 1.00 61.53 C ATOM 662 ND1 HIS A 44 24.194 14.573 -17.375 1.00 44.12 N ATOM 663 CD2 HIS A 44 25.813 15.370 -18.604 1.00 13.23 C ATOM 664 CE1 HIS A 44 24.968 15.293 -16.582 1.00 32.52 C ATOM 665 NE2 HIS A 44 25.958 15.787 -17.303 1.00 53.52 N ATOM 0 H HIS A 44 23.158 12.234 -21.426 1.00 12.51 H new ATOM 0 HA HIS A 44 25.810 13.078 -20.748 1.00 50.24 H new ATOM 0 HB2 HIS A 44 23.900 14.591 -20.620 1.00 75.20 H new ATOM 0 HB3 HIS A 44 23.077 13.527 -19.497 1.00 75.20 H new ATOM 0 HD2 HIS A 44 26.466 15.610 -19.430 1.00 13.23 H new ATOM 0 HE1 HIS A 44 24.817 15.451 -15.524 1.00 32.52 H new ATOM 0 HE2 HIS A 44 26.708 16.382 -16.951 1.00 53.52 H new ATOM 673 N LYS A 45 24.393 10.729 -18.999 1.00 13.22 N ATOM 674 CA LYS A 45 24.603 9.753 -17.937 1.00 44.10 C ATOM 675 C LYS A 45 25.683 8.749 -18.327 1.00 71.53 C ATOM 676 O LYS A 45 26.647 8.544 -17.590 1.00 73.03 O ATOM 677 CB LYS A 45 23.297 9.019 -17.627 1.00 74.53 C ATOM 678 CG LYS A 45 22.082 9.929 -17.589 1.00 40.45 C ATOM 679 CD LYS A 45 22.212 10.991 -16.511 1.00 63.15 C ATOM 680 CE LYS A 45 21.229 10.756 -15.374 1.00 32.12 C ATOM 681 NZ LYS A 45 21.692 9.680 -14.454 1.00 61.40 N1+ ATOM 0 H LYS A 45 23.574 10.549 -19.581 1.00 13.22 H new ATOM 0 HA LYS A 45 24.933 10.287 -17.046 1.00 44.10 H new ATOM 0 HB2 LYS A 45 23.138 8.245 -18.378 1.00 74.53 H new ATOM 0 HB3 LYS A 45 23.393 8.515 -16.665 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.956 10.409 -18.560 1.00 40.45 H new ATOM 0 HG3 LYS A 45 21.187 9.334 -17.408 1.00 40.45 H new ATOM 0 HD2 LYS A 45 23.229 10.991 -16.120 1.00 63.15 H new ATOM 0 HD3 LYS A 45 22.038 11.975 -16.946 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.095 11.681 -14.813 1.00 32.12 H new ATOM 0 HE3 LYS A 45 20.256 10.488 -15.785 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 20.995 9.550 -13.693 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 21.796 8.791 -14.984 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 22.609 9.946 -14.042 1.00 61.40 H new ATOM 695 N ASN A 46 25.515 8.127 -19.489 1.00 44.51 N ATOM 696 CA ASN A 46 26.477 7.145 -19.976 1.00 43.23 C ATOM 697 C ASN A 46 27.762 7.824 -20.436 1.00 15.11 C ATOM 698 O ASN A 46 28.830 7.213 -20.449 1.00 20.00 O ATOM 699 CB ASN A 46 25.874 6.337 -21.127 1.00 55.02 C ATOM 700 CG ASN A 46 26.686 5.099 -21.452 1.00 74.42 C ATOM 701 OD1 ASN A 46 27.586 5.136 -22.291 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.371 3.993 -20.788 1.00 50.43 N ATOM 0 H ASN A 46 24.722 8.285 -20.111 1.00 44.51 H new ATOM 0 HA ASN A 46 26.718 6.471 -19.154 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.857 6.043 -20.867 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.807 6.967 -22.014 1.00 55.02 H new ATOM 0 HD21 ASN A 46 26.883 3.129 -20.965 1.00 50.43 H new ATOM 0 HD22 ASN A 46 25.617 4.008 -20.101 1.00 50.43 H new ATOM 709 N GLY A 47 27.653 9.095 -20.811 1.00 71.54 N ATOM 710 CA GLY A 47 28.815 9.838 -21.266 1.00 65.12 C ATOM 711 C GLY A 47 28.956 9.825 -22.776 1.00 62.25 C ATOM 712 O GLY A 47 30.017 10.148 -23.310 1.00 22.30 O ATOM 0 H GLY A 47 26.781 9.624 -20.808 1.00 71.54 H new ATOM 0 HA2 GLY A 47 28.742 10.869 -20.920 1.00 65.12 H new ATOM 0 HA3 GLY A 47 29.713 9.414 -20.817 1.00 65.12 H new ATOM 716 N VAL A 48 27.884 9.450 -23.466 1.00 31.22 N ATOM 717 CA VAL A 48 27.893 9.396 -24.923 1.00 41.02 C ATOM 718 C VAL A 48 28.038 10.790 -25.524 1.00 3.44 C ATOM 719 O VAL A 48 27.566 11.774 -24.955 1.00 22.32 O ATOM 720 CB VAL A 48 26.607 8.746 -25.468 1.00 34.34 C ATOM 721 CG1 VAL A 48 26.707 8.545 -26.973 1.00 23.24 C ATOM 722 CG2 VAL A 48 26.338 7.425 -24.764 1.00 32.44 C ATOM 0 H VAL A 48 26.998 9.179 -23.039 1.00 31.22 H new ATOM 0 HA VAL A 48 28.750 8.788 -25.212 1.00 41.02 H new ATOM 0 HB VAL A 48 25.770 9.415 -25.269 1.00 34.34 H new ATOM 0 HG11 VAL A 48 25.790 8.085 -27.340 1.00 23.24 H new ATOM 0 HG12 VAL A 48 26.849 9.510 -27.460 1.00 23.24 H new ATOM 0 HG13 VAL A 48 27.554 7.896 -27.198 1.00 23.24 H new ATOM 0 HG21 VAL A 48 25.426 6.980 -25.162 1.00 32.44 H new ATOM 0 HG22 VAL A 48 27.175 6.747 -24.930 1.00 32.44 H new ATOM 0 HG23 VAL A 48 26.220 7.600 -23.695 1.00 32.44 H new ATOM 732 N ASP A 49 28.695 10.865 -26.676 1.00 40.14 N ATOM 733 CA ASP A 49 28.901 12.139 -27.355 1.00 14.22 C ATOM 734 C ASP A 49 27.741 12.448 -28.296 1.00 34.02 C ATOM 735 O ASP A 49 27.830 12.227 -29.504 1.00 75.21 O ATOM 736 CB ASP A 49 30.215 12.115 -28.139 1.00 52.55 C ATOM 737 CG ASP A 49 30.450 13.396 -28.916 1.00 23.12 C ATOM 738 OD1 ASP A 49 29.753 14.395 -28.637 1.00 1.55 O ATOM 739 OD2 ASP A 49 31.329 13.401 -29.801 1.00 61.21 O1- ATOM 0 H ASP A 49 29.094 10.060 -27.159 1.00 40.14 H new ATOM 0 HA ASP A 49 28.950 12.922 -26.598 1.00 14.22 H new ATOM 0 HB2 ASP A 49 31.043 11.955 -27.449 1.00 52.55 H new ATOM 0 HB3 ASP A 49 30.208 11.271 -28.829 1.00 52.55 H new ATOM 744 N LEU A 50 26.652 12.959 -27.733 1.00 12.10 N ATOM 745 CA LEU A 50 25.471 13.299 -28.521 1.00 14.20 C ATOM 746 C LEU A 50 25.016 14.726 -28.233 1.00 31.24 C ATOM 747 O LEU A 50 24.740 15.080 -27.087 1.00 24.23 O ATOM 748 CB LEU A 50 24.335 12.319 -28.222 1.00 11.15 C ATOM 749 CG LEU A 50 23.324 12.100 -29.347 1.00 12.15 C ATOM 750 CD1 LEU A 50 22.605 13.397 -29.680 1.00 70.43 C ATOM 751 CD2 LEU A 50 24.015 11.538 -30.583 1.00 5.33 C ATOM 0 H LEU A 50 26.561 13.147 -26.735 1.00 12.10 H new ATOM 0 HA LEU A 50 25.736 13.228 -29.576 1.00 14.20 H new ATOM 0 HB2 LEU A 50 24.773 11.355 -27.961 1.00 11.15 H new ATOM 0 HB3 LEU A 50 23.798 12.674 -27.342 1.00 11.15 H new ATOM 0 HG LEU A 50 22.583 11.376 -29.008 1.00 12.15 H new ATOM 0 HD11 LEU A 50 21.889 13.221 -30.483 1.00 70.43 H new ATOM 0 HD12 LEU A 50 22.078 13.758 -28.797 1.00 70.43 H new ATOM 0 HD13 LEU A 50 23.332 14.144 -29.999 1.00 70.43 H new ATOM 0 HD21 LEU A 50 23.280 11.388 -31.374 1.00 5.33 H new ATOM 0 HD22 LEU A 50 24.777 12.238 -30.924 1.00 5.33 H new ATOM 0 HD23 LEU A 50 24.482 10.585 -30.337 1.00 5.33 H new ATOM 905 N CYS A 63 14.885 15.822 -37.895 1.00 12.42 N ATOM 906 CA CYS A 63 13.666 15.091 -37.569 1.00 3.52 C ATOM 907 C CYS A 63 13.635 13.741 -38.279 1.00 2.45 C ATOM 908 O CYS A 63 12.569 13.242 -38.641 1.00 4.13 O ATOM 909 CB CYS A 63 12.435 15.912 -37.958 1.00 25.53 C ATOM 910 SG CYS A 63 12.383 17.573 -37.210 1.00 22.10 S ATOM 0 HA CYS A 63 13.653 14.916 -36.493 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.406 16.013 -39.043 1.00 25.53 H new ATOM 0 HB3 CYS A 63 11.539 15.365 -37.665 1.00 25.53 H new ATOM 0 HG CYS A 63 11.842 17.501 -36.030 1.00 22.10 H new ATOM 915 N HIS A 64 14.811 13.154 -38.474 1.00 63.44 N ATOM 916 CA HIS A 64 14.920 11.861 -39.141 1.00 3.42 C ATOM 917 C HIS A 64 16.079 11.050 -38.567 1.00 30.22 C ATOM 918 O HIS A 64 17.244 11.414 -38.728 1.00 61.33 O ATOM 919 CB HIS A 64 15.112 12.054 -40.645 1.00 52.43 C ATOM 920 CG HIS A 64 16.210 13.010 -40.992 1.00 13.30 C ATOM 921 ND1 HIS A 64 17.486 12.603 -41.322 1.00 62.35 N ATOM 922 CD2 HIS A 64 16.219 14.361 -41.060 1.00 65.44 C ATOM 923 CE1 HIS A 64 18.233 13.663 -41.576 1.00 13.15 C ATOM 924 NE2 HIS A 64 17.486 14.743 -41.426 1.00 23.12 N ATOM 0 H HIS A 64 15.702 13.553 -38.180 1.00 63.44 H new ATOM 0 HA HIS A 64 13.995 11.311 -38.969 1.00 3.42 H new ATOM 0 HB2 HIS A 64 15.325 11.088 -41.102 1.00 52.43 H new ATOM 0 HB3 HIS A 64 14.179 12.413 -41.079 1.00 52.43 H new ATOM 0 HD2 HIS A 64 15.384 15.017 -40.863 1.00 65.44 H new ATOM 0 HE1 HIS A 64 19.275 13.649 -41.858 1.00 13.15 H new ATOM 0 HE2 HIS A 64 17.800 15.704 -41.560 1.00 23.12 H new ATOM 932 N VAL A 65 15.750 9.950 -37.897 1.00 61.11 N ATOM 933 CA VAL A 65 16.763 9.088 -37.301 1.00 32.34 C ATOM 934 C VAL A 65 16.565 7.635 -37.721 1.00 22.50 C ATOM 935 O VAL A 65 15.462 7.231 -38.091 1.00 34.33 O ATOM 936 CB VAL A 65 16.739 9.173 -35.763 1.00 11.13 C ATOM 937 CG1 VAL A 65 17.984 8.528 -35.172 1.00 72.25 C ATOM 938 CG2 VAL A 65 16.614 10.621 -35.313 1.00 23.01 C ATOM 0 H VAL A 65 14.790 9.635 -37.754 1.00 61.11 H new ATOM 0 HA VAL A 65 17.729 9.440 -37.662 1.00 32.34 H new ATOM 0 HB VAL A 65 15.869 8.626 -35.399 1.00 11.13 H new ATOM 0 HG11 VAL A 65 17.949 8.598 -34.085 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.026 7.480 -35.467 1.00 72.25 H new ATOM 0 HG13 VAL A 65 18.871 9.044 -35.540 1.00 72.25 H new ATOM 0 HG21 VAL A 65 16.598 10.664 -34.224 1.00 23.01 H new ATOM 0 HG22 VAL A 65 17.464 11.193 -35.686 1.00 23.01 H new ATOM 0 HG23 VAL A 65 15.690 11.046 -35.706 1.00 23.01 H new ATOM 948 N ILE A 66 17.639 6.856 -37.660 1.00 21.12 N ATOM 949 CA ILE A 66 17.583 5.448 -38.032 1.00 32.41 C ATOM 950 C ILE A 66 17.221 4.576 -36.834 1.00 54.10 C ATOM 951 O ILE A 66 17.722 4.783 -35.728 1.00 14.31 O ATOM 952 CB ILE A 66 18.924 4.966 -38.617 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.292 5.789 -39.853 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.849 3.486 -38.963 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.134 7.006 -39.539 1.00 62.21 C ATOM 0 H ILE A 66 18.559 7.176 -37.356 1.00 21.12 H new ATOM 0 HA ILE A 66 16.809 5.354 -38.794 1.00 32.41 H new ATOM 0 HB ILE A 66 19.702 5.105 -37.866 1.00 13.50 H new ATOM 0 HG12 ILE A 66 19.833 5.154 -40.555 1.00 41.34 H new ATOM 0 HG13 ILE A 66 18.377 6.109 -40.352 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.804 3.160 -39.375 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.628 2.913 -38.063 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.062 3.324 -39.699 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.357 7.542 -40.462 1.00 62.21 H new ATOM 0 HD12 ILE A 66 19.587 7.662 -38.862 1.00 62.21 H new ATOM 0 HD13 ILE A 66 21.065 6.692 -39.067 1.00 62.21 H new ATOM 967 N LEU A 67 16.349 3.601 -37.062 1.00 62.31 N ATOM 968 CA LEU A 67 15.921 2.694 -36.001 1.00 64.04 C ATOM 969 C LEU A 67 16.092 1.240 -36.425 1.00 12.11 C ATOM 970 O LEU A 67 16.142 0.933 -37.616 1.00 61.41 O ATOM 971 CB LEU A 67 14.460 2.963 -35.635 1.00 53.02 C ATOM 972 CG LEU A 67 14.107 2.840 -34.152 1.00 54.25 C ATOM 973 CD1 LEU A 67 14.957 3.789 -33.321 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.627 3.116 -33.931 1.00 10.33 C ATOM 0 H LEU A 67 15.924 3.417 -37.971 1.00 62.31 H new ATOM 0 HA LEU A 67 16.548 2.873 -35.128 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.202 3.969 -35.967 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.832 2.271 -36.196 1.00 53.02 H new ATOM 0 HG LEU A 67 14.318 1.820 -33.832 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.692 3.688 -32.269 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.011 3.545 -33.455 1.00 12.14 H new ATOM 0 HD13 LEU A 67 14.778 4.815 -33.643 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.394 3.024 -32.870 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.391 4.125 -34.268 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.034 2.397 -34.496 1.00 10.33 H new ATOM 986 N GLU A 68 16.180 0.349 -35.443 1.00 71.02 N ATOM 987 CA GLU A 68 16.345 -1.074 -35.715 1.00 2.24 C ATOM 988 C GLU A 68 15.371 -1.538 -36.795 1.00 45.14 C ATOM 989 O GLU A 68 14.222 -1.101 -36.836 1.00 70.41 O ATOM 990 CB GLU A 68 16.132 -1.889 -34.438 1.00 2.12 C ATOM 991 CG GLU A 68 17.363 -2.666 -34.000 1.00 61.11 C ATOM 992 CD GLU A 68 17.652 -3.855 -34.894 1.00 60.41 C ATOM 993 OE1 GLU A 68 18.107 -3.641 -36.037 1.00 23.25 O ATOM 994 OE2 GLU A 68 17.422 -5.000 -34.452 1.00 54.52 O1- ATOM 0 H GLU A 68 16.140 0.587 -34.452 1.00 71.02 H new ATOM 0 HA GLU A 68 17.362 -1.233 -36.073 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.832 -1.217 -33.634 1.00 2.12 H new ATOM 0 HB3 GLU A 68 15.309 -2.586 -34.595 1.00 2.12 H new ATOM 0 HG2 GLU A 68 18.226 -2.000 -33.997 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.224 -3.012 -32.976 1.00 61.11 H new ATOM 1001 N GLU A 69 15.841 -2.424 -37.667 1.00 22.44 N ATOM 1002 CA GLU A 69 15.012 -2.946 -38.747 1.00 73.04 C ATOM 1003 C GLU A 69 13.749 -3.601 -38.196 1.00 43.43 C ATOM 1004 O GLU A 69 12.626 -3.202 -38.508 1.00 23.14 O ATOM 1005 CB GLU A 69 15.800 -3.955 -39.583 1.00 71.35 C ATOM 1006 CG GLU A 69 15.977 -3.539 -41.034 1.00 42.54 C ATOM 1007 CD GLU A 69 16.929 -4.447 -41.790 1.00 13.13 C ATOM 1008 OE1 GLU A 69 17.602 -5.273 -41.138 1.00 54.15 O ATOM 1009 OE2 GLU A 69 17.000 -4.331 -43.031 1.00 42.34 O1- ATOM 0 H GLU A 69 16.791 -2.795 -37.647 1.00 22.44 H new ATOM 0 HA GLU A 69 14.719 -2.110 -39.382 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.782 -4.098 -39.133 1.00 71.35 H new ATOM 0 HB3 GLU A 69 15.290 -4.918 -39.550 1.00 71.35 H new ATOM 0 HG2 GLU A 69 15.006 -3.543 -41.530 1.00 42.54 H new ATOM 0 HG3 GLU A 69 16.350 -2.516 -41.072 1.00 42.54 H new ATOM 1016 N PRO A 70 13.934 -4.631 -37.358 1.00 54.22 N ATOM 1017 CA PRO A 70 12.823 -5.364 -36.746 1.00 20.10 C ATOM 1018 C PRO A 70 12.078 -4.529 -35.709 1.00 1.22 C ATOM 1019 O PRO A 70 10.850 -4.447 -35.730 1.00 33.25 O ATOM 1020 CB PRO A 70 13.509 -6.557 -36.078 1.00 54.11 C ATOM 1021 CG PRO A 70 14.902 -6.096 -35.818 1.00 53.54 C ATOM 1022 CD PRO A 70 15.244 -5.160 -36.943 1.00 23.21 C ATOM 0 HA PRO A 70 12.068 -5.645 -37.480 1.00 20.10 H new ATOM 0 HB2 PRO A 70 13.005 -6.836 -35.153 1.00 54.11 H new ATOM 0 HB3 PRO A 70 13.496 -7.434 -36.725 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.973 -5.591 -34.855 1.00 53.54 H new ATOM 0 HG3 PRO A 70 15.593 -6.939 -35.787 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.913 -4.364 -36.614 1.00 23.21 H new ATOM 0 HD3 PRO A 70 15.744 -5.680 -37.760 1.00 23.21 H new ATOM 1030 N LEU A 71 12.830 -3.910 -34.806 1.00 73.21 N ATOM 1031 CA LEU A 71 12.241 -3.079 -33.762 1.00 71.13 C ATOM 1032 C LEU A 71 11.288 -2.048 -34.357 1.00 14.24 C ATOM 1033 O LEU A 71 10.199 -1.816 -33.831 1.00 22.31 O ATOM 1034 CB LEU A 71 13.339 -2.374 -32.963 1.00 11.33 C ATOM 1035 CG LEU A 71 12.921 -1.801 -31.608 1.00 51.51 C ATOM 1036 CD1 LEU A 71 13.316 -2.746 -30.485 1.00 70.15 C ATOM 1037 CD2 LEU A 71 13.542 -0.428 -31.396 1.00 52.41 C ATOM 0 H LEU A 71 13.848 -3.968 -34.776 1.00 73.21 H new ATOM 0 HA LEU A 71 11.673 -3.727 -33.095 1.00 71.13 H new ATOM 0 HB2 LEU A 71 14.153 -3.081 -32.801 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.738 -1.562 -33.571 1.00 11.33 H new ATOM 0 HG LEU A 71 11.836 -1.693 -31.599 1.00 51.51 H new ATOM 0 HD11 LEU A 71 13.011 -2.322 -29.528 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.824 -3.708 -30.629 1.00 70.15 H new ATOM 0 HD13 LEU A 71 14.397 -2.887 -30.491 1.00 70.15 H new ATOM 0 HD21 LEU A 71 13.234 -0.035 -30.427 1.00 52.41 H new ATOM 0 HD22 LEU A 71 14.628 -0.512 -31.425 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.209 0.248 -32.184 1.00 52.41 H new ATOM 1049 N TYR A 72 11.704 -1.434 -35.459 1.00 23.13 N ATOM 1050 CA TYR A 72 10.888 -0.426 -36.127 1.00 72.33 C ATOM 1051 C TYR A 72 9.701 -1.071 -36.838 1.00 64.33 C ATOM 1052 O TYR A 72 8.555 -0.663 -36.649 1.00 54.01 O ATOM 1053 CB TYR A 72 11.732 0.360 -37.132 1.00 62.53 C ATOM 1054 CG TYR A 72 10.984 1.495 -37.793 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.190 1.272 -38.911 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.072 2.791 -37.301 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.505 2.306 -39.519 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.390 3.832 -37.902 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.608 3.584 -39.010 1.00 14.41 C ATOM 1060 OH TYR A 72 8.928 4.617 -39.613 1.00 23.11 O ATOM 0 H TYR A 72 12.601 -1.616 -35.909 1.00 23.13 H new ATOM 0 HA TYR A 72 10.507 0.258 -35.369 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.608 0.761 -36.623 1.00 62.53 H new ATOM 0 HB3 TYR A 72 12.095 -0.322 -37.901 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.107 0.273 -39.312 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.684 2.989 -36.433 1.00 33.42 H new ATOM 0 HE1 TYR A 72 8.892 2.115 -40.388 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.469 4.834 -37.506 1.00 12.54 H new ATOM 0 HH TYR A 72 9.504 5.040 -40.284 1.00 23.11 H new ATOM 1070 N ARG A 73 9.985 -2.081 -37.654 1.00 65.44 N ATOM 1071 CA ARG A 73 8.943 -2.781 -38.394 1.00 14.13 C ATOM 1072 C ARG A 73 7.840 -3.261 -37.456 1.00 11.43 C ATOM 1073 O ARG A 73 6.662 -3.258 -37.812 1.00 2.21 O ATOM 1074 CB ARG A 73 9.538 -3.972 -39.150 1.00 24.52 C ATOM 1075 CG ARG A 73 9.566 -3.781 -40.658 1.00 20.20 C ATOM 1076 CD ARG A 73 10.984 -3.571 -41.166 1.00 62.31 C ATOM 1077 NE ARG A 73 11.142 -4.017 -42.547 1.00 14.20 N ATOM 1078 CZ ARG A 73 12.118 -3.601 -43.347 1.00 65.04 C ATOM 1079 NH1 ARG A 73 13.019 -2.734 -42.903 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 12.197 -4.053 -44.591 1.00 13.35 N ATOM 0 H ARG A 73 10.928 -2.432 -37.819 1.00 65.44 H new ATOM 0 HA ARG A 73 8.509 -2.083 -39.111 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.554 -4.147 -38.795 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.960 -4.866 -38.916 1.00 24.52 H new ATOM 0 HG2 ARG A 73 9.129 -4.653 -41.145 1.00 20.20 H new ATOM 0 HG3 ARG A 73 8.950 -2.923 -40.929 1.00 20.20 H new ATOM 0 HD2 ARG A 73 11.242 -2.514 -41.095 1.00 62.31 H new ATOM 0 HD3 ARG A 73 11.682 -4.113 -40.528 1.00 62.31 H new ATOM 0 HE ARG A 73 10.466 -4.685 -42.918 1.00 14.20 H new ATOM 0 HH11 ARG A 73 12.963 -2.386 -41.946 1.00 12.32 H new ATOM 0 HH12 ARG A 73 13.767 -2.416 -43.519 1.00 12.32 H new ATOM 0 HH21 ARG A 73 11.508 -4.721 -44.936 1.00 13.35 H new ATOM 0 HH22 ARG A 73 12.947 -3.732 -45.203 1.00 13.35 H new ATOM 1094 N LYS A 74 8.230 -3.675 -36.255 1.00 33.12 N ATOM 1095 CA LYS A 74 7.276 -4.157 -35.263 1.00 31.02 C ATOM 1096 C LYS A 74 6.559 -2.994 -34.587 1.00 63.21 C ATOM 1097 O LYS A 74 5.344 -3.033 -34.383 1.00 75.00 O ATOM 1098 CB LYS A 74 7.989 -5.010 -34.212 1.00 65.31 C ATOM 1099 CG LYS A 74 8.274 -6.430 -34.672 1.00 40.52 C ATOM 1100 CD LYS A 74 8.352 -7.391 -33.498 1.00 34.44 C ATOM 1101 CE LYS A 74 8.002 -8.811 -33.917 1.00 41.15 C ATOM 1102 NZ LYS A 74 9.128 -9.473 -34.630 1.00 30.01 N1+ ATOM 0 H LYS A 74 9.202 -3.686 -35.945 1.00 33.12 H new ATOM 0 HA LYS A 74 6.534 -4.769 -35.777 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.929 -4.529 -33.943 1.00 65.31 H new ATOM 0 HB3 LYS A 74 7.379 -5.045 -33.310 1.00 65.31 H new ATOM 0 HG2 LYS A 74 7.492 -6.755 -35.358 1.00 40.52 H new ATOM 0 HG3 LYS A 74 9.213 -6.453 -35.225 1.00 40.52 H new ATOM 0 HD2 LYS A 74 9.357 -7.372 -33.077 1.00 34.44 H new ATOM 0 HD3 LYS A 74 7.671 -7.064 -32.712 1.00 34.44 H new ATOM 0 HE2 LYS A 74 7.737 -9.395 -33.035 1.00 41.15 H new ATOM 0 HE3 LYS A 74 7.124 -8.793 -34.563 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 8.849 -10.438 -34.898 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 9.364 -8.930 -35.485 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 9.958 -9.514 -34.005 1.00 30.01 H new ATOM 1116 N LEU A 75 7.316 -1.958 -34.243 1.00 52.50 N ATOM 1117 CA LEU A 75 6.752 -0.781 -33.591 1.00 65.55 C ATOM 1118 C LEU A 75 5.750 -0.079 -34.504 1.00 75.21 C ATOM 1119 O LEU A 75 4.817 0.571 -34.035 1.00 64.44 O ATOM 1120 CB LEU A 75 7.865 0.191 -33.194 1.00 21.23 C ATOM 1121 CG LEU A 75 8.278 0.173 -31.723 1.00 41.12 C ATOM 1122 CD1 LEU A 75 7.097 0.529 -30.833 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.844 -1.188 -31.343 1.00 51.32 C ATOM 0 H LEU A 75 8.322 -1.909 -34.405 1.00 52.50 H new ATOM 0 HA LEU A 75 6.229 -1.111 -32.693 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.744 -0.028 -33.800 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.545 1.202 -33.449 1.00 21.23 H new ATOM 0 HG LEU A 75 9.057 0.921 -31.575 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.410 0.511 -29.789 1.00 62.14 H new ATOM 0 HD12 LEU A 75 6.737 1.526 -31.087 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.296 -0.195 -30.984 1.00 62.14 H new ATOM 0 HD21 LEU A 75 9.133 -1.181 -30.292 1.00 51.32 H new ATOM 0 HD22 LEU A 75 8.087 -1.955 -31.507 1.00 51.32 H new ATOM 0 HD23 LEU A 75 9.718 -1.403 -31.958 1.00 51.32 H new ATOM 1135 N GLY A 76 5.951 -0.218 -35.810 1.00 21.42 N ATOM 1136 CA GLY A 76 5.057 0.406 -36.769 1.00 10.52 C ATOM 1137 C GLY A 76 5.778 0.858 -38.024 1.00 14.51 C ATOM 1138 O GLY A 76 6.998 1.018 -38.023 1.00 71.33 O ATOM 0 H GLY A 76 6.717 -0.751 -36.222 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.270 -0.298 -37.039 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.571 1.264 -36.304 1.00 10.52 H new ATOM 1142 N GLU A 77 5.020 1.064 -39.097 1.00 31.22 N ATOM 1143 CA GLU A 77 5.595 1.498 -40.365 1.00 3.31 C ATOM 1144 C GLU A 77 4.773 2.629 -40.976 1.00 55.51 C ATOM 1145 O GLU A 77 3.591 2.803 -40.677 1.00 65.31 O ATOM 1146 CB GLU A 77 5.674 0.324 -41.343 1.00 60.22 C ATOM 1147 CG GLU A 77 4.438 -0.561 -41.333 1.00 64.43 C ATOM 1148 CD GLU A 77 4.547 -1.702 -40.341 1.00 52.41 C ATOM 1149 OE1 GLU A 77 5.491 -1.690 -39.524 1.00 31.24 O ATOM 1150 OE2 GLU A 77 3.687 -2.608 -40.382 1.00 22.41 O1- ATOM 0 H GLU A 77 4.008 0.938 -39.113 1.00 31.22 H new ATOM 0 HA GLU A 77 6.602 1.868 -40.171 1.00 3.31 H new ATOM 0 HB2 GLU A 77 5.825 0.711 -42.351 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.547 -0.282 -41.100 1.00 60.22 H new ATOM 0 HG2 GLU A 77 3.564 0.044 -41.091 1.00 64.43 H new ATOM 0 HG3 GLU A 77 4.278 -0.967 -42.332 1.00 64.43 H new ATOM 1157 N PRO A 78 5.412 3.418 -41.853 1.00 13.34 N ATOM 1158 CA PRO A 78 4.760 4.545 -42.525 1.00 21.23 C ATOM 1159 C PRO A 78 3.719 4.092 -43.543 1.00 62.01 C ATOM 1160 O PRO A 78 3.434 2.900 -43.664 1.00 42.25 O ATOM 1161 CB PRO A 78 5.918 5.258 -43.227 1.00 40.44 C ATOM 1162 CG PRO A 78 6.947 4.199 -43.431 1.00 2.43 C ATOM 1163 CD PRO A 78 6.820 3.268 -42.257 1.00 41.44 C ATOM 0 HA PRO A 78 4.215 5.176 -41.823 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.600 5.689 -44.176 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.306 6.075 -42.619 1.00 40.44 H new ATOM 0 HG2 PRO A 78 6.781 3.669 -44.369 1.00 2.43 H new ATOM 0 HG3 PRO A 78 7.947 4.630 -43.481 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.051 2.239 -42.533 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.501 3.542 -41.451 1.00 41.44 H new ATOM 1171 N SER A 79 3.155 5.048 -44.272 1.00 1.54 N ATOM 1172 CA SER A 79 2.143 4.746 -45.277 1.00 22.12 C ATOM 1173 C SER A 79 2.740 4.791 -46.680 1.00 55.34 C ATOM 1174 O SER A 79 3.945 4.976 -46.849 1.00 42.34 O ATOM 1175 CB SER A 79 0.980 5.735 -45.174 1.00 75.41 C ATOM 1176 OG SER A 79 -0.189 5.214 -45.781 1.00 71.31 O ATOM 0 H SER A 79 3.381 6.039 -44.186 1.00 1.54 H new ATOM 0 HA SER A 79 1.772 3.738 -45.091 1.00 22.12 H new ATOM 0 HB2 SER A 79 0.780 5.958 -44.126 1.00 75.41 H new ATOM 0 HB3 SER A 79 1.254 6.675 -45.653 1.00 75.41 H new ATOM 0 HG SER A 79 -0.917 5.865 -45.700 1.00 71.31 H new ATOM 1182 N ASP A 80 1.887 4.618 -47.685 1.00 2.42 N ATOM 1183 CA ASP A 80 2.330 4.640 -49.074 1.00 64.33 C ATOM 1184 C ASP A 80 3.047 5.948 -49.397 1.00 41.21 C ATOM 1185 O ASP A 80 4.104 5.949 -50.028 1.00 61.31 O ATOM 1186 CB ASP A 80 1.137 4.452 -50.015 1.00 42.53 C ATOM 1187 CG ASP A 80 0.576 3.045 -49.963 1.00 72.41 C ATOM 1188 OD1 ASP A 80 -0.534 2.829 -50.493 1.00 61.52 O ATOM 1189 OD2 ASP A 80 1.247 2.159 -49.393 1.00 62.51 O1- ATOM 0 H ASP A 80 0.886 4.461 -47.563 1.00 2.42 H new ATOM 0 HA ASP A 80 3.031 3.818 -49.218 1.00 64.33 H new ATOM 0 HB2 ASP A 80 0.354 5.162 -49.751 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.443 4.681 -51.036 1.00 42.53 H new ATOM 1194 N LYS A 81 2.464 7.059 -48.962 1.00 63.24 N ATOM 1195 CA LYS A 81 3.045 8.374 -49.203 1.00 42.30 C ATOM 1196 C LYS A 81 4.490 8.427 -48.717 1.00 52.43 C ATOM 1197 O LYS A 81 5.407 8.680 -49.497 1.00 13.12 O ATOM 1198 CB LYS A 81 2.219 9.455 -48.503 1.00 24.44 C ATOM 1199 CG LYS A 81 1.061 9.973 -49.337 1.00 13.30 C ATOM 1200 CD LYS A 81 -0.214 9.191 -49.067 1.00 11.42 C ATOM 1201 CE LYS A 81 -0.402 8.065 -50.072 1.00 51.52 C ATOM 1202 NZ LYS A 81 -1.841 7.816 -50.362 1.00 62.13 N1+ ATOM 0 H LYS A 81 1.588 7.075 -48.440 1.00 63.24 H new ATOM 0 HA LYS A 81 3.035 8.558 -50.277 1.00 42.30 H new ATOM 0 HB2 LYS A 81 1.830 9.054 -47.567 1.00 24.44 H new ATOM 0 HB3 LYS A 81 2.872 10.289 -48.246 1.00 24.44 H new ATOM 0 HG2 LYS A 81 0.896 11.028 -49.117 1.00 13.30 H new ATOM 0 HG3 LYS A 81 1.314 9.904 -50.395 1.00 13.30 H new ATOM 0 HD2 LYS A 81 -0.182 8.778 -48.059 1.00 11.42 H new ATOM 0 HD3 LYS A 81 -1.070 9.864 -49.109 1.00 11.42 H new ATOM 0 HE2 LYS A 81 0.117 8.314 -50.997 1.00 51.52 H new ATOM 0 HE3 LYS A 81 0.054 7.153 -49.686 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 -1.927 7.042 -51.051 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 -2.332 7.554 -49.483 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 -2.270 8.678 -50.755 1.00 62.13 H new ATOM 1216 N GLU A 82 4.684 8.186 -47.424 1.00 13.40 N ATOM 1217 CA GLU A 82 6.017 8.206 -46.835 1.00 22.15 C ATOM 1218 C GLU A 82 6.909 7.143 -47.471 1.00 24.23 C ATOM 1219 O GLU A 82 8.129 7.295 -47.531 1.00 2.21 O ATOM 1220 CB GLU A 82 5.936 7.984 -45.324 1.00 53.12 C ATOM 1221 CG GLU A 82 5.796 9.269 -44.525 1.00 71.53 C ATOM 1222 CD GLU A 82 6.936 10.238 -44.776 1.00 12.30 C ATOM 1223 OE1 GLU A 82 6.732 11.455 -44.584 1.00 14.14 O ATOM 1224 OE2 GLU A 82 8.031 9.779 -45.163 1.00 32.01 O1- ATOM 0 H GLU A 82 3.935 7.975 -46.765 1.00 13.40 H new ATOM 0 HA GLU A 82 6.456 9.185 -47.026 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.087 7.336 -45.106 1.00 53.12 H new ATOM 0 HB3 GLU A 82 6.832 7.457 -44.994 1.00 53.12 H new ATOM 0 HG2 GLU A 82 4.852 9.750 -44.780 1.00 71.53 H new ATOM 0 HG3 GLU A 82 5.755 9.029 -43.462 1.00 71.53 H new ATOM 1231 N TYR A 83 6.290 6.065 -47.941 1.00 32.52 N ATOM 1232 CA TYR A 83 7.027 4.974 -48.568 1.00 21.41 C ATOM 1233 C TYR A 83 7.748 5.455 -49.823 1.00 74.33 C ATOM 1234 O TYR A 83 8.968 5.326 -49.939 1.00 30.25 O ATOM 1235 CB TYR A 83 6.078 3.827 -48.920 1.00 60.15 C ATOM 1236 CG TYR A 83 6.271 2.596 -48.064 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.186 2.668 -46.679 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.543 1.361 -48.640 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.363 1.547 -45.893 1.00 3.43 C ATOM 1240 CE2 TYR A 83 6.720 0.234 -47.861 1.00 71.42 C ATOM 1241 CZ TYR A 83 6.630 0.331 -46.489 1.00 11.20 C ATOM 1242 OH TYR A 83 6.806 -0.789 -45.710 1.00 41.13 O ATOM 0 H TYR A 83 5.281 5.924 -47.900 1.00 32.52 H new ATOM 0 HA TYR A 83 7.772 4.616 -47.857 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.050 4.173 -48.817 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.220 3.557 -49.966 1.00 60.15 H new ATOM 0 HD1 TYR A 83 5.978 3.618 -46.209 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.617 1.281 -49.714 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.293 1.621 -44.818 1.00 3.43 H new ATOM 0 HE2 TYR A 83 6.928 -0.719 -48.325 1.00 71.42 H new ATOM 0 HH TYR A 83 6.985 -1.562 -46.285 1.00 41.13 H new ATOM 1252 N ASP A 84 6.988 6.011 -50.759 1.00 24.14 N ATOM 1253 CA ASP A 84 7.554 6.513 -52.006 1.00 41.30 C ATOM 1254 C ASP A 84 8.468 7.707 -51.745 1.00 24.23 C ATOM 1255 O ASP A 84 9.544 7.818 -52.333 1.00 11.41 O ATOM 1256 CB ASP A 84 6.439 6.911 -52.973 1.00 33.25 C ATOM 1257 CG ASP A 84 6.806 6.650 -54.420 1.00 12.43 C ATOM 1258 OD1 ASP A 84 6.503 5.546 -54.921 1.00 71.12 O ATOM 1259 OD2 ASP A 84 7.397 7.550 -55.053 1.00 45.14 O1- ATOM 0 H ASP A 84 5.978 6.126 -50.678 1.00 24.14 H new ATOM 0 HA ASP A 84 8.146 5.716 -52.455 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.533 6.358 -52.726 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.211 7.969 -52.844 1.00 33.25 H new ATOM 1264 N LEU A 85 8.031 8.598 -50.861 1.00 20.31 N ATOM 1265 CA LEU A 85 8.810 9.784 -50.524 1.00 5.33 C ATOM 1266 C LEU A 85 10.220 9.404 -50.085 1.00 63.15 C ATOM 1267 O LEU A 85 11.205 9.929 -50.604 1.00 64.22 O ATOM 1268 CB LEU A 85 8.115 10.576 -49.414 1.00 32.10 C ATOM 1269 CG LEU A 85 7.329 11.809 -49.862 1.00 40.23 C ATOM 1270 CD1 LEU A 85 8.247 12.804 -50.556 1.00 13.40 C ATOM 1271 CD2 LEU A 85 6.183 11.408 -50.780 1.00 5.43 C ATOM 0 H LEU A 85 7.143 8.521 -50.366 1.00 20.31 H new ATOM 0 HA LEU A 85 8.883 10.406 -51.416 1.00 5.33 H new ATOM 0 HB2 LEU A 85 7.434 9.906 -48.889 1.00 32.10 H new ATOM 0 HB3 LEU A 85 8.869 10.892 -48.694 1.00 32.10 H new ATOM 0 HG LEU A 85 6.909 12.288 -48.978 1.00 40.23 H new ATOM 0 HD11 LEU A 85 7.670 13.675 -50.868 1.00 13.40 H new ATOM 0 HD12 LEU A 85 9.032 13.116 -49.867 1.00 13.40 H new ATOM 0 HD13 LEU A 85 8.697 12.335 -51.431 1.00 13.40 H new ATOM 0 HD21 LEU A 85 5.635 12.298 -51.088 1.00 5.43 H new ATOM 0 HD22 LEU A 85 6.581 10.904 -51.660 1.00 5.43 H new ATOM 0 HD23 LEU A 85 5.511 10.734 -50.249 1.00 5.43 H new ATOM 1283 N ILE A 86 10.309 8.487 -49.127 1.00 45.10 N ATOM 1284 CA ILE A 86 11.599 8.035 -48.621 1.00 32.42 C ATOM 1285 C ILE A 86 12.296 7.126 -49.628 1.00 52.13 C ATOM 1286 O ILE A 86 13.520 7.151 -49.757 1.00 14.31 O ATOM 1287 CB ILE A 86 11.446 7.281 -47.286 1.00 62.20 C ATOM 1288 CG1 ILE A 86 10.773 8.176 -46.244 1.00 10.12 C ATOM 1289 CG2 ILE A 86 12.804 6.806 -46.789 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.211 7.413 -45.065 1.00 63.41 C ATOM 0 H ILE A 86 9.504 8.043 -48.686 1.00 45.10 H new ATOM 0 HA ILE A 86 12.205 8.926 -48.459 1.00 32.42 H new ATOM 0 HB ILE A 86 10.814 6.408 -47.448 1.00 62.20 H new ATOM 0 HG12 ILE A 86 11.497 8.906 -45.882 1.00 10.12 H new ATOM 0 HG13 ILE A 86 9.968 8.735 -46.722 1.00 10.12 H new ATOM 0 HG21 ILE A 86 12.681 6.275 -45.845 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.248 6.137 -47.526 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.458 7.665 -46.639 1.00 11.21 H new ATOM 0 HD11 ILE A 86 9.749 8.111 -44.367 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.463 6.702 -45.415 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.015 6.876 -44.562 1.00 63.41 H new ATOM 1302 N ASP A 87 11.509 6.328 -50.341 1.00 50.21 N ATOM 1303 CA ASP A 87 12.051 5.413 -51.339 1.00 61.54 C ATOM 1304 C ASP A 87 12.728 6.182 -52.469 1.00 73.01 C ATOM 1305 O ASP A 87 13.508 5.617 -53.235 1.00 74.03 O ATOM 1306 CB ASP A 87 10.940 4.526 -51.904 1.00 35.13 C ATOM 1307 CG ASP A 87 11.464 3.498 -52.888 1.00 41.55 C ATOM 1308 OD1 ASP A 87 12.315 2.675 -52.489 1.00 61.45 O ATOM 1309 OD2 ASP A 87 11.023 3.517 -54.055 1.00 51.34 O1- ATOM 0 H ASP A 87 10.494 6.296 -50.247 1.00 50.21 H new ATOM 0 HA ASP A 87 12.797 4.784 -50.853 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.434 4.015 -51.084 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.196 5.151 -52.398 1.00 35.13 H new ATOM 1314 N GLN A 88 12.425 7.473 -52.565 1.00 32.35 N ATOM 1315 CA GLN A 88 13.004 8.318 -53.603 1.00 71.22 C ATOM 1316 C GLN A 88 14.447 8.678 -53.268 1.00 44.01 C ATOM 1317 O GLN A 88 15.248 8.963 -54.158 1.00 30.30 O ATOM 1318 CB GLN A 88 12.175 9.592 -53.774 1.00 71.55 C ATOM 1319 CG GLN A 88 10.889 9.380 -54.558 1.00 72.24 C ATOM 1320 CD GLN A 88 11.070 9.601 -56.046 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.317 10.721 -56.494 1.00 14.12 O ATOM 1322 NE2 GLN A 88 10.948 8.532 -56.824 1.00 31.43 N ATOM 0 H GLN A 88 11.782 7.956 -51.937 1.00 32.35 H new ATOM 0 HA GLN A 88 12.995 7.759 -54.539 1.00 71.22 H new ATOM 0 HB2 GLN A 88 11.929 9.991 -52.790 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.780 10.344 -54.281 1.00 71.55 H new ATOM 0 HG2 GLN A 88 10.526 8.367 -54.387 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.124 10.060 -54.184 1.00 72.24 H new ATOM 0 HE21 GLN A 88 10.743 7.622 -56.412 1.00 31.43 H new ATOM 0 HE22 GLN A 88 11.060 8.621 -57.834 1.00 31.43 H new ATOM 1331 N ALA A 89 14.773 8.662 -51.980 1.00 43.05 N ATOM 1332 CA ALA A 89 16.121 8.986 -51.529 1.00 33.15 C ATOM 1333 C ALA A 89 17.044 7.777 -51.645 1.00 24.14 C ATOM 1334 O ALA A 89 16.625 6.641 -51.421 1.00 71.13 O ATOM 1335 CB ALA A 89 16.090 9.492 -50.094 1.00 12.20 C ATOM 0 H ALA A 89 14.122 8.428 -51.230 1.00 43.05 H new ATOM 0 HA ALA A 89 16.513 9.773 -52.172 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.103 9.730 -49.770 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.471 10.387 -50.037 1.00 12.20 H new ATOM 0 HB3 ALA A 89 15.674 8.721 -49.445 1.00 12.20 H new ATOM 1341 N PHE A 90 18.300 8.030 -51.996 1.00 74.20 N ATOM 1342 CA PHE A 90 19.282 6.962 -52.144 1.00 75.52 C ATOM 1343 C PHE A 90 19.534 6.266 -50.809 1.00 71.45 C ATOM 1344 O PHE A 90 19.907 6.903 -49.826 1.00 12.24 O ATOM 1345 CB PHE A 90 20.595 7.519 -52.698 1.00 64.23 C ATOM 1346 CG PHE A 90 20.665 7.508 -54.198 1.00 13.13 C ATOM 1347 CD1 PHE A 90 20.631 8.693 -54.915 1.00 30.42 C ATOM 1348 CD2 PHE A 90 20.766 6.312 -54.891 1.00 65.35 C ATOM 1349 CE1 PHE A 90 20.697 8.687 -56.296 1.00 45.43 C ATOM 1350 CE2 PHE A 90 20.831 6.299 -56.271 1.00 31.34 C ATOM 1351 CZ PHE A 90 20.796 7.488 -56.974 1.00 1.02 C ATOM 0 H PHE A 90 18.662 8.965 -52.183 1.00 74.20 H new ATOM 0 HA PHE A 90 18.882 6.230 -52.846 1.00 75.52 H new ATOM 0 HB2 PHE A 90 20.725 8.542 -52.344 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.425 6.936 -52.299 1.00 64.23 H new ATOM 0 HD1 PHE A 90 20.552 9.633 -54.389 1.00 30.42 H new ATOM 0 HD2 PHE A 90 20.794 5.380 -54.346 1.00 65.35 H new ATOM 0 HE1 PHE A 90 20.671 9.618 -56.843 1.00 45.43 H new ATOM 0 HE2 PHE A 90 20.909 5.360 -56.800 1.00 31.34 H new ATOM 0 HZ PHE A 90 20.846 7.480 -58.053 1.00 1.02 H new ATOM 1361 N GLY A 91 19.326 4.953 -50.784 1.00 12.51 N ATOM 1362 CA GLY A 91 19.534 4.193 -49.566 1.00 14.41 C ATOM 1363 C GLY A 91 18.798 4.783 -48.380 1.00 73.13 C ATOM 1364 O GLY A 91 19.351 4.887 -47.286 1.00 4.35 O ATOM 0 H GLY A 91 19.017 4.403 -51.585 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.202 3.166 -49.721 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.600 4.153 -49.344 1.00 14.41 H new ATOM 1368 N ALA A 92 17.546 5.173 -48.597 1.00 4.24 N ATOM 1369 CA ALA A 92 16.732 5.755 -47.538 1.00 70.22 C ATOM 1370 C ALA A 92 15.634 4.795 -47.097 1.00 24.25 C ATOM 1371 O ALA A 92 14.764 4.424 -47.887 1.00 13.15 O ATOM 1372 CB ALA A 92 16.129 7.073 -48.001 1.00 0.13 C ATOM 0 H ALA A 92 17.074 5.096 -49.498 1.00 4.24 H new ATOM 0 HA ALA A 92 17.378 5.944 -46.680 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.523 7.497 -47.200 1.00 0.13 H new ATOM 0 HB2 ALA A 92 16.928 7.768 -48.259 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.503 6.899 -48.876 1.00 0.13 H new ATOM 1378 N THR A 93 15.678 4.392 -45.830 1.00 45.11 N ATOM 1379 CA THR A 93 14.688 3.472 -45.286 1.00 43.04 C ATOM 1380 C THR A 93 13.693 4.202 -44.391 1.00 51.13 C ATOM 1381 O THR A 93 14.035 5.191 -43.743 1.00 12.44 O ATOM 1382 CB THR A 93 15.354 2.343 -44.478 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.688 2.122 -44.953 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.553 1.055 -44.585 1.00 75.11 C ATOM 0 H THR A 93 16.389 4.689 -45.162 1.00 45.11 H new ATOM 0 HA THR A 93 14.160 3.038 -46.135 1.00 43.04 H new ATOM 0 HB THR A 93 15.386 2.646 -43.431 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.106 1.404 -44.433 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.043 0.272 -44.006 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.548 1.218 -44.196 1.00 75.11 H new ATOM 0 HG23 THR A 93 14.493 0.750 -45.630 1.00 75.11 H new ATOM 1392 N GLY A 94 12.459 3.708 -44.359 1.00 64.34 N ATOM 1393 CA GLY A 94 11.433 4.326 -43.539 1.00 73.52 C ATOM 1394 C GLY A 94 11.841 4.431 -42.083 1.00 11.42 C ATOM 1395 O GLY A 94 11.344 5.287 -41.350 1.00 75.13 O ATOM 0 H GLY A 94 12.151 2.891 -44.886 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.215 5.322 -43.925 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.513 3.746 -43.615 1.00 73.52 H new ATOM 1399 N THR A 95 12.747 3.555 -41.659 1.00 3.02 N ATOM 1400 CA THR A 95 13.218 3.550 -40.280 1.00 45.00 C ATOM 1401 C THR A 95 14.159 4.721 -40.015 1.00 1.41 C ATOM 1402 O THR A 95 14.633 4.908 -38.895 1.00 53.40 O ATOM 1403 CB THR A 95 13.944 2.236 -39.938 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.234 2.212 -40.561 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.133 1.034 -40.398 1.00 23.25 C ATOM 0 H THR A 95 13.169 2.840 -42.251 1.00 3.02 H new ATOM 0 HA THR A 95 12.337 3.645 -39.646 1.00 45.00 H new ATOM 0 HB THR A 95 14.062 2.184 -38.856 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.690 1.374 -40.337 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.666 0.117 -40.146 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.163 1.038 -39.901 1.00 23.25 H new ATOM 0 HG23 THR A 95 12.988 1.084 -41.477 1.00 23.25 H new ATOM 1413 N SER A 96 14.424 5.506 -41.055 1.00 4.44 N ATOM 1414 CA SER A 96 15.311 6.657 -40.935 1.00 60.11 C ATOM 1415 C SER A 96 14.525 7.915 -40.578 1.00 71.41 C ATOM 1416 O SER A 96 15.101 8.935 -40.202 1.00 10.54 O ATOM 1417 CB SER A 96 16.078 6.874 -42.241 1.00 33.34 C ATOM 1418 OG SER A 96 17.188 7.733 -42.044 1.00 54.01 O ATOM 0 H SER A 96 14.038 5.366 -41.989 1.00 4.44 H new ATOM 0 HA SER A 96 16.022 6.455 -40.133 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.421 5.915 -42.629 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.412 7.301 -42.991 1.00 33.34 H new ATOM 0 HG SER A 96 16.952 8.430 -41.397 1.00 54.01 H new ATOM 1424 N ARG A 97 13.204 7.832 -40.700 1.00 14.14 N ATOM 1425 CA ARG A 97 12.337 8.964 -40.391 1.00 44.44 C ATOM 1426 C ARG A 97 11.388 8.626 -39.246 1.00 41.24 C ATOM 1427 O ARG A 97 10.758 7.566 -39.239 1.00 64.24 O ATOM 1428 CB ARG A 97 11.535 9.371 -41.630 1.00 70.20 C ATOM 1429 CG ARG A 97 10.767 10.672 -41.458 1.00 33.41 C ATOM 1430 CD ARG A 97 9.566 10.737 -42.386 1.00 21.13 C ATOM 1431 NE ARG A 97 8.392 10.089 -41.807 1.00 44.32 N ATOM 1432 CZ ARG A 97 7.619 10.654 -40.886 1.00 45.23 C ATOM 1433 NH1 ARG A 97 7.896 11.872 -40.441 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 6.568 10.000 -40.409 1.00 33.05 N ATOM 0 H ARG A 97 12.711 6.995 -41.010 1.00 14.14 H new ATOM 0 HA ARG A 97 12.967 9.799 -40.083 1.00 44.44 H new ATOM 0 HB2 ARG A 97 12.215 9.469 -42.476 1.00 70.20 H new ATOM 0 HB3 ARG A 97 10.833 8.574 -41.876 1.00 70.20 H new ATOM 0 HG2 ARG A 97 10.435 10.765 -40.424 1.00 33.41 H new ATOM 0 HG3 ARG A 97 11.428 11.515 -41.658 1.00 33.41 H new ATOM 0 HD2 ARG A 97 9.334 11.779 -42.606 1.00 21.13 H new ATOM 0 HD3 ARG A 97 9.814 10.259 -43.334 1.00 21.13 H new ATOM 0 HE ARG A 97 8.152 9.151 -42.128 1.00 44.32 H new ATOM 0 HH11 ARG A 97 8.704 12.377 -40.806 1.00 54.10 H new ATOM 0 HH12 ARG A 97 7.301 12.304 -39.734 1.00 54.10 H new ATOM 0 HH21 ARG A 97 6.353 9.063 -40.749 1.00 33.05 H new ATOM 0 HH22 ARG A 97 5.975 10.434 -39.702 1.00 33.05 H new ATOM 1448 N LEU A 98 11.290 9.530 -38.278 1.00 2.12 N ATOM 1449 CA LEU A 98 10.418 9.327 -37.126 1.00 73.45 C ATOM 1450 C LEU A 98 9.535 10.548 -36.891 1.00 21.34 C ATOM 1451 O LEU A 98 8.323 10.498 -37.098 1.00 13.34 O ATOM 1452 CB LEU A 98 11.252 9.039 -35.876 1.00 23.22 C ATOM 1453 CG LEU A 98 11.555 7.566 -35.597 1.00 64.21 C ATOM 1454 CD1 LEU A 98 12.708 7.085 -36.462 1.00 54.22 C ATOM 1455 CD2 LEU A 98 11.868 7.357 -34.122 1.00 44.21 C ATOM 0 H LEU A 98 11.804 10.411 -38.268 1.00 2.12 H new ATOM 0 HA LEU A 98 9.776 8.471 -37.333 1.00 73.45 H new ATOM 0 HB2 LEU A 98 12.198 9.574 -35.963 1.00 23.22 H new ATOM 0 HB3 LEU A 98 10.731 9.452 -35.012 1.00 23.22 H new ATOM 0 HG LEU A 98 10.671 6.979 -35.848 1.00 64.21 H new ATOM 0 HD11 LEU A 98 12.909 6.035 -36.249 1.00 54.22 H new ATOM 0 HD12 LEU A 98 12.446 7.199 -37.514 1.00 54.22 H new ATOM 0 HD13 LEU A 98 13.598 7.676 -36.244 1.00 54.22 H new ATOM 0 HD21 LEU A 98 12.081 6.303 -33.941 1.00 44.21 H new ATOM 0 HD22 LEU A 98 12.736 7.956 -33.846 1.00 44.21 H new ATOM 0 HD23 LEU A 98 11.011 7.662 -33.521 1.00 44.21 H new ATOM 1467 N GLY A 99 10.151 11.644 -36.459 1.00 65.55 N ATOM 1468 CA GLY A 99 9.404 12.863 -36.206 1.00 71.01 C ATOM 1469 C GLY A 99 10.214 13.890 -35.440 1.00 52.33 C ATOM 1470 O GLY A 99 11.414 14.041 -35.670 1.00 62.04 O ATOM 0 H GLY A 99 11.153 11.710 -36.280 1.00 65.55 H new ATOM 0 HA2 GLY A 99 9.083 13.292 -37.155 1.00 71.01 H new ATOM 0 HA3 GLY A 99 8.502 12.623 -35.643 1.00 71.01 H new ATOM 1474 N CYS A 100 9.557 14.600 -34.529 1.00 23.20 N ATOM 1475 CA CYS A 100 10.223 15.620 -33.727 1.00 42.23 C ATOM 1476 C CYS A 100 9.922 15.428 -32.244 1.00 61.43 C ATOM 1477 O CYS A 100 9.830 16.397 -31.490 1.00 22.54 O ATOM 1478 CB CYS A 100 9.782 17.016 -34.173 1.00 12.14 C ATOM 1479 SG CYS A 100 11.051 18.303 -33.950 1.00 33.11 S ATOM 0 H CYS A 100 8.563 14.488 -34.328 1.00 23.20 H new ATOM 0 HA CYS A 100 11.298 15.521 -33.876 1.00 42.23 H new ATOM 0 HB2 CYS A 100 9.500 16.977 -35.225 1.00 12.14 H new ATOM 0 HB3 CYS A 100 8.890 17.299 -33.614 1.00 12.14 H new ATOM 0 HG CYS A 100 10.586 19.447 -34.357 1.00 33.11 H new ATOM 1484 N GLN A 101 9.772 14.174 -31.834 1.00 51.23 N ATOM 1485 CA GLN A 101 9.482 13.855 -30.441 1.00 32.50 C ATOM 1486 C GLN A 101 10.270 12.632 -29.986 1.00 24.44 C ATOM 1487 O GLN A 101 10.328 11.621 -30.687 1.00 62.34 O ATOM 1488 CB GLN A 101 7.983 13.609 -30.254 1.00 54.33 C ATOM 1489 CG GLN A 101 7.156 14.884 -30.221 1.00 51.15 C ATOM 1490 CD GLN A 101 5.772 14.667 -29.642 1.00 64.22 C ATOM 1491 OE1 GLN A 101 5.570 14.764 -28.432 1.00 14.41 O ATOM 1492 NE2 GLN A 101 4.808 14.372 -30.507 1.00 64.44 N ATOM 0 H GLN A 101 9.846 13.362 -32.446 1.00 51.23 H new ATOM 0 HA GLN A 101 9.783 14.706 -29.830 1.00 32.50 H new ATOM 0 HB2 GLN A 101 7.624 12.974 -31.064 1.00 54.33 H new ATOM 0 HB3 GLN A 101 7.827 13.060 -29.325 1.00 54.33 H new ATOM 0 HG2 GLN A 101 7.679 15.636 -29.631 1.00 51.15 H new ATOM 0 HG3 GLN A 101 7.065 15.280 -31.233 1.00 51.15 H new ATOM 0 HE21 GLN A 101 5.020 14.302 -31.502 1.00 64.44 H new ATOM 0 HE22 GLN A 101 3.856 14.216 -30.176 1.00 64.44 H new ATOM 1501 N LEU A 102 10.878 12.730 -28.808 1.00 65.25 N ATOM 1502 CA LEU A 102 11.665 11.633 -28.259 1.00 63.32 C ATOM 1503 C LEU A 102 11.235 11.316 -26.830 1.00 43.03 C ATOM 1504 O LEU A 102 11.492 12.090 -25.908 1.00 43.45 O ATOM 1505 CB LEU A 102 13.154 11.979 -28.290 1.00 54.24 C ATOM 1506 CG LEU A 102 13.888 11.674 -29.597 1.00 12.13 C ATOM 1507 CD1 LEU A 102 13.866 10.181 -29.884 1.00 65.13 C ATOM 1508 CD2 LEU A 102 13.267 12.450 -30.750 1.00 5.14 C ATOM 0 H LEU A 102 10.840 13.559 -28.215 1.00 65.25 H new ATOM 0 HA LEU A 102 11.491 10.751 -28.876 1.00 63.32 H new ATOM 0 HB2 LEU A 102 13.264 13.042 -28.075 1.00 54.24 H new ATOM 0 HB3 LEU A 102 13.649 11.438 -27.484 1.00 54.24 H new ATOM 0 HG LEU A 102 14.926 11.988 -29.491 1.00 12.13 H new ATOM 0 HD11 LEU A 102 14.393 9.982 -30.817 1.00 65.13 H new ATOM 0 HD12 LEU A 102 14.356 9.647 -29.070 1.00 65.13 H new ATOM 0 HD13 LEU A 102 12.834 9.842 -29.971 1.00 65.13 H new ATOM 0 HD21 LEU A 102 13.801 12.221 -31.672 1.00 5.14 H new ATOM 0 HD22 LEU A 102 12.220 12.166 -30.857 1.00 5.14 H new ATOM 0 HD23 LEU A 102 13.334 13.519 -30.547 1.00 5.14 H new ATOM 1520 N ARG A 103 10.582 10.172 -26.653 1.00 52.25 N ATOM 1521 CA ARG A 103 10.118 9.752 -25.336 1.00 12.23 C ATOM 1522 C ARG A 103 10.383 8.266 -25.115 1.00 22.20 C ATOM 1523 O ARG A 103 10.309 7.465 -26.047 1.00 3.34 O ATOM 1524 CB ARG A 103 8.624 10.043 -25.182 1.00 33.05 C ATOM 1525 CG ARG A 103 8.160 10.098 -23.736 1.00 62.04 C ATOM 1526 CD ARG A 103 8.325 11.492 -23.151 1.00 70.21 C ATOM 1527 NE ARG A 103 7.235 12.382 -23.542 1.00 53.42 N ATOM 1528 CZ ARG A 103 6.018 12.330 -23.012 1.00 21.50 C ATOM 1529 NH1 ARG A 103 5.737 11.437 -22.073 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 5.079 13.174 -23.420 1.00 43.51 N ATOM 0 H ARG A 103 10.362 9.519 -27.405 1.00 52.25 H new ATOM 0 HA ARG A 103 10.671 10.318 -24.586 1.00 12.23 H new ATOM 0 HB2 ARG A 103 8.396 10.994 -25.664 1.00 33.05 H new ATOM 0 HB3 ARG A 103 8.057 9.275 -25.708 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.114 9.799 -23.677 1.00 62.04 H new ATOM 0 HG3 ARG A 103 8.730 9.383 -23.142 1.00 62.04 H new ATOM 0 HD2 ARG A 103 8.367 11.426 -22.064 1.00 70.21 H new ATOM 0 HD3 ARG A 103 9.274 11.914 -23.482 1.00 70.21 H new ATOM 0 HE ARG A 103 7.418 13.082 -24.261 1.00 53.42 H new ATOM 0 HH11 ARG A 103 6.456 10.787 -21.755 1.00 52.01 H new ATOM 0 HH12 ARG A 103 4.802 11.400 -21.668 1.00 52.01 H new ATOM 0 HH21 ARG A 103 5.291 13.863 -24.141 1.00 43.51 H new ATOM 0 HH22 ARG A 103 4.145 13.133 -23.013 1.00 43.51 H new ATOM 1544 N VAL A 104 10.694 7.904 -23.874 1.00 21.01 N ATOM 1545 CA VAL A 104 10.970 6.514 -23.529 1.00 23.15 C ATOM 1546 C VAL A 104 9.709 5.808 -23.044 1.00 51.50 C ATOM 1547 O VAL A 104 8.998 6.312 -22.175 1.00 20.41 O ATOM 1548 CB VAL A 104 12.053 6.412 -22.439 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.459 4.961 -22.225 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.261 7.262 -22.807 1.00 72.24 C ATOM 0 H VAL A 104 10.761 8.554 -23.091 1.00 21.01 H new ATOM 0 HA VAL A 104 11.330 6.027 -24.436 1.00 23.15 H new ATOM 0 HB VAL A 104 11.640 6.792 -21.504 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.225 4.908 -21.451 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.589 4.382 -21.915 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.854 4.553 -23.155 1.00 0.25 H new ATOM 0 HG21 VAL A 104 14.016 7.178 -22.026 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.677 6.914 -23.753 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.956 8.304 -22.907 1.00 72.24 H new ATOM 1560 N ASP A 105 9.438 4.639 -23.613 1.00 71.13 N ATOM 1561 CA ASP A 105 8.263 3.860 -23.238 1.00 40.04 C ATOM 1562 C ASP A 105 8.613 2.383 -23.090 1.00 72.04 C ATOM 1563 O ASP A 105 9.691 1.946 -23.496 1.00 10.30 O ATOM 1564 CB ASP A 105 7.156 4.034 -24.279 1.00 44.20 C ATOM 1565 CG ASP A 105 5.772 3.842 -23.691 1.00 65.14 C ATOM 1566 OD1 ASP A 105 5.337 2.678 -23.565 1.00 23.23 O ATOM 1567 OD2 ASP A 105 5.124 4.856 -23.356 1.00 33.31 O1- ATOM 0 H ASP A 105 10.016 4.210 -24.336 1.00 71.13 H new ATOM 0 HA ASP A 105 7.907 4.227 -22.276 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.226 5.030 -24.717 1.00 44.20 H new ATOM 0 HB3 ASP A 105 7.306 3.319 -25.088 1.00 44.20 H new ATOM 1572 N LYS A 106 7.698 1.618 -22.508 1.00 24.41 N ATOM 1573 CA LYS A 106 7.908 0.189 -22.307 1.00 72.51 C ATOM 1574 C LYS A 106 8.188 -0.511 -23.633 1.00 64.01 C ATOM 1575 O LYS A 106 9.062 -1.375 -23.717 1.00 34.22 O ATOM 1576 CB LYS A 106 6.684 -0.439 -21.635 1.00 13.33 C ATOM 1577 CG LYS A 106 6.965 -1.788 -20.997 1.00 33.41 C ATOM 1578 CD LYS A 106 5.686 -2.578 -20.776 1.00 30.24 C ATOM 1579 CE LYS A 106 5.027 -2.212 -19.455 1.00 13.42 C ATOM 1580 NZ LYS A 106 4.047 -1.102 -19.613 1.00 24.12 N1+ ATOM 0 H LYS A 106 6.801 1.964 -22.166 1.00 24.41 H new ATOM 0 HA LYS A 106 8.775 0.063 -21.659 1.00 72.51 H new ATOM 0 HB2 LYS A 106 6.309 0.243 -20.872 1.00 13.33 H new ATOM 0 HB3 LYS A 106 5.893 -0.555 -22.376 1.00 13.33 H new ATOM 0 HG2 LYS A 106 7.641 -2.359 -21.634 1.00 33.41 H new ATOM 0 HG3 LYS A 106 7.473 -1.642 -20.044 1.00 33.41 H new ATOM 0 HD2 LYS A 106 4.993 -2.387 -21.595 1.00 30.24 H new ATOM 0 HD3 LYS A 106 5.909 -3.645 -20.790 1.00 30.24 H new ATOM 0 HE2 LYS A 106 4.522 -3.087 -19.046 1.00 13.42 H new ATOM 0 HE3 LYS A 106 5.792 -1.921 -18.736 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 3.939 -0.603 -18.707 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 4.389 -0.437 -20.336 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 3.128 -1.490 -19.907 1.00 24.12 H new ATOM 1594 N SER A 107 7.444 -0.132 -24.666 1.00 1.32 N ATOM 1595 CA SER A 107 7.612 -0.725 -25.988 1.00 32.25 C ATOM 1596 C SER A 107 9.006 -0.442 -26.538 1.00 64.51 C ATOM 1597 O SER A 107 9.462 -1.096 -27.476 1.00 35.32 O ATOM 1598 CB SER A 107 6.552 -0.186 -26.950 1.00 25.21 C ATOM 1599 OG SER A 107 5.353 0.129 -26.265 1.00 60.12 O ATOM 0 H SER A 107 6.719 0.583 -24.614 1.00 1.32 H new ATOM 0 HA SER A 107 7.491 -1.804 -25.893 1.00 32.25 H new ATOM 0 HB2 SER A 107 6.932 0.704 -27.452 1.00 25.21 H new ATOM 0 HB3 SER A 107 6.349 -0.927 -27.723 1.00 25.21 H new ATOM 0 HG SER A 107 4.693 0.473 -26.902 1.00 60.12 H new ATOM 1605 N PHE A 108 9.680 0.539 -25.947 1.00 54.12 N ATOM 1606 CA PHE A 108 11.023 0.911 -26.376 1.00 31.34 C ATOM 1607 C PHE A 108 12.079 0.119 -25.610 1.00 52.43 C ATOM 1608 O PHE A 108 13.269 0.429 -25.674 1.00 20.31 O ATOM 1609 CB PHE A 108 11.249 2.411 -26.175 1.00 33.33 C ATOM 1610 CG PHE A 108 11.194 3.202 -27.451 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.182 4.128 -27.750 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.155 3.021 -28.349 1.00 23.10 C ATOM 1613 CE1 PHE A 108 12.134 4.857 -28.923 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.103 3.748 -29.525 1.00 0.32 C ATOM 1615 CZ PHE A 108 11.093 4.668 -29.812 1.00 71.21 C ATOM 0 H PHE A 108 9.318 1.091 -25.169 1.00 54.12 H new ATOM 0 HA PHE A 108 11.116 0.675 -27.436 1.00 31.34 H new ATOM 0 HB2 PHE A 108 10.496 2.795 -25.486 1.00 33.33 H new ATOM 0 HB3 PHE A 108 12.220 2.564 -25.704 1.00 33.33 H new ATOM 0 HD1 PHE A 108 12.998 4.281 -27.059 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.377 2.305 -28.129 1.00 23.10 H new ATOM 0 HE1 PHE A 108 12.910 5.574 -29.145 1.00 64.01 H new ATOM 0 HE2 PHE A 108 9.289 3.596 -30.218 1.00 0.32 H new ATOM 0 HZ PHE A 108 11.053 5.238 -30.729 1.00 71.21 H new ATOM 1625 N GLU A 109 11.634 -0.903 -24.886 1.00 45.42 N ATOM 1626 CA GLU A 109 12.540 -1.738 -24.107 1.00 14.13 C ATOM 1627 C GLU A 109 13.611 -2.358 -24.999 1.00 53.04 C ATOM 1628 O GLU A 109 13.303 -3.046 -25.971 1.00 0.14 O ATOM 1629 CB GLU A 109 11.761 -2.841 -23.387 1.00 15.44 C ATOM 1630 CG GLU A 109 12.595 -3.622 -22.386 1.00 21.13 C ATOM 1631 CD GLU A 109 11.778 -4.638 -21.611 1.00 40.23 C ATOM 1632 OE1 GLU A 109 12.385 -5.520 -20.968 1.00 23.25 O ATOM 1633 OE2 GLU A 109 10.533 -4.551 -21.649 1.00 62.22 O1- ATOM 0 H GLU A 109 10.652 -1.172 -24.823 1.00 45.42 H new ATOM 0 HA GLU A 109 13.029 -1.105 -23.367 1.00 14.13 H new ATOM 0 HB2 GLU A 109 10.911 -2.395 -22.870 1.00 15.44 H new ATOM 0 HB3 GLU A 109 11.357 -3.531 -24.128 1.00 15.44 H new ATOM 0 HG2 GLU A 109 13.401 -4.134 -22.912 1.00 21.13 H new ATOM 0 HG3 GLU A 109 13.061 -2.927 -21.687 1.00 21.13 H new ATOM 1640 N ASN A 110 14.873 -2.107 -24.661 1.00 40.22 N ATOM 1641 CA ASN A 110 15.991 -2.639 -25.431 1.00 12.52 C ATOM 1642 C ASN A 110 15.934 -2.154 -26.877 1.00 14.11 C ATOM 1643 O ASN A 110 16.451 -2.809 -27.782 1.00 14.41 O ATOM 1644 CB ASN A 110 15.982 -4.168 -25.392 1.00 53.45 C ATOM 1645 CG ASN A 110 16.708 -4.720 -24.181 1.00 14.25 C ATOM 1646 OD1 ASN A 110 17.842 -4.335 -23.895 1.00 53.03 O ATOM 1647 ND2 ASN A 110 16.058 -5.628 -23.464 1.00 13.04 N ATOM 0 H ASN A 110 15.146 -1.539 -23.859 1.00 40.22 H new ATOM 0 HA ASN A 110 16.916 -2.277 -24.981 1.00 12.52 H new ATOM 0 HB2 ASN A 110 14.951 -4.522 -25.387 1.00 53.45 H new ATOM 0 HB3 ASN A 110 16.448 -4.555 -26.299 1.00 53.45 H new ATOM 0 HD21 ASN A 110 16.497 -6.036 -22.639 1.00 13.04 H new ATOM 0 HD22 ASN A 110 15.119 -5.918 -23.738 1.00 13.04 H new ATOM 1654 N ALA A 111 15.303 -1.004 -27.086 1.00 11.53 N ATOM 1655 CA ALA A 111 15.181 -0.431 -28.420 1.00 33.33 C ATOM 1656 C ALA A 111 16.508 0.155 -28.889 1.00 12.12 C ATOM 1657 O ALA A 111 17.128 0.956 -28.188 1.00 32.25 O ATOM 1658 CB ALA A 111 14.095 0.635 -28.440 1.00 12.32 C ATOM 0 H ALA A 111 14.868 -0.450 -26.348 1.00 11.53 H new ATOM 0 HA ALA A 111 14.903 -1.230 -29.107 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.015 1.054 -29.443 1.00 12.32 H new ATOM 0 HB2 ALA A 111 13.142 0.189 -28.156 1.00 12.32 H new ATOM 0 HB3 ALA A 111 14.349 1.427 -27.735 1.00 12.32 H new ATOM 1664 N VAL A 112 16.940 -0.249 -30.080 1.00 73.01 N ATOM 1665 CA VAL A 112 18.195 0.237 -30.643 1.00 70.21 C ATOM 1666 C VAL A 112 17.945 1.305 -31.701 1.00 23.10 C ATOM 1667 O VAL A 112 17.274 1.057 -32.703 1.00 15.11 O ATOM 1668 CB VAL A 112 19.010 -0.910 -31.269 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.394 -0.423 -31.672 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.108 -2.082 -30.305 1.00 42.04 C ATOM 0 H VAL A 112 16.440 -0.911 -30.673 1.00 73.01 H new ATOM 0 HA VAL A 112 18.764 0.671 -29.821 1.00 70.21 H new ATOM 0 HB VAL A 112 18.495 -1.251 -32.167 1.00 32.45 H new ATOM 0 HG11 VAL A 112 20.956 -1.247 -32.112 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.299 0.382 -32.401 1.00 55.14 H new ATOM 0 HG13 VAL A 112 20.921 -0.055 -30.792 1.00 55.14 H new ATOM 0 HG21 VAL A 112 19.687 -2.883 -30.764 1.00 42.04 H new ATOM 0 HG22 VAL A 112 19.600 -1.758 -29.388 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.107 -2.446 -30.071 1.00 42.04 H new ATOM 1680 N PHE A 113 18.489 2.496 -31.472 1.00 22.12 N ATOM 1681 CA PHE A 113 18.325 3.604 -32.406 1.00 61.43 C ATOM 1682 C PHE A 113 19.678 4.089 -32.917 1.00 43.11 C ATOM 1683 O PHE A 113 20.574 4.406 -32.134 1.00 11.30 O ATOM 1684 CB PHE A 113 17.577 4.757 -31.735 1.00 14.33 C ATOM 1685 CG PHE A 113 18.288 5.316 -30.536 1.00 71.43 C ATOM 1686 CD1 PHE A 113 18.245 4.656 -29.319 1.00 12.52 C ATOM 1687 CD2 PHE A 113 19.000 6.501 -30.626 1.00 14.45 C ATOM 1688 CE1 PHE A 113 18.898 5.167 -28.212 1.00 3.02 C ATOM 1689 CE2 PHE A 113 19.656 7.017 -29.523 1.00 40.02 C ATOM 1690 CZ PHE A 113 19.603 6.349 -28.315 1.00 54.32 C ATOM 0 H PHE A 113 19.047 2.718 -30.648 1.00 22.12 H new ATOM 0 HA PHE A 113 17.742 3.248 -33.256 1.00 61.43 H new ATOM 0 HB2 PHE A 113 17.427 5.554 -32.463 1.00 14.33 H new ATOM 0 HB3 PHE A 113 16.589 4.411 -31.433 1.00 14.33 H new ATOM 0 HD1 PHE A 113 17.695 3.731 -29.233 1.00 12.52 H new ATOM 0 HD2 PHE A 113 19.043 7.028 -31.568 1.00 14.45 H new ATOM 0 HE1 PHE A 113 18.856 4.642 -27.269 1.00 3.02 H new ATOM 0 HE2 PHE A 113 20.209 7.941 -29.606 1.00 40.02 H new ATOM 0 HZ PHE A 113 20.113 6.751 -27.452 1.00 54.32 H new ATOM 1700 N THR A 114 19.821 4.143 -34.238 1.00 30.22 N ATOM 1701 CA THR A 114 21.063 4.588 -34.855 1.00 45.33 C ATOM 1702 C THR A 114 20.952 6.029 -35.340 1.00 52.03 C ATOM 1703 O THR A 114 19.990 6.396 -36.014 1.00 43.22 O ATOM 1704 CB THR A 114 21.455 3.688 -36.043 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.532 2.323 -35.619 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.789 4.118 -36.632 1.00 73.44 C ATOM 0 H THR A 114 19.091 3.884 -34.901 1.00 30.22 H new ATOM 0 HA THR A 114 21.836 4.524 -34.089 1.00 45.33 H new ATOM 0 HB THR A 114 20.689 3.786 -36.812 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.780 1.758 -36.380 1.00 32.32 H new ATOM 0 HG21 THR A 114 23.044 3.468 -37.469 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.717 5.148 -36.982 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.564 4.047 -35.868 1.00 73.44 H new ATOM 1714 N VAL A 115 21.944 6.844 -34.992 1.00 21.22 N ATOM 1715 CA VAL A 115 21.958 8.246 -35.393 1.00 72.13 C ATOM 1716 C VAL A 115 22.625 8.421 -36.752 1.00 32.00 C ATOM 1717 O VAL A 115 23.697 7.878 -37.021 1.00 71.13 O ATOM 1718 CB VAL A 115 22.692 9.118 -34.357 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.682 10.578 -34.785 1.00 32.02 C ATOM 1720 CG2 VAL A 115 22.065 8.952 -32.981 1.00 0.35 C ATOM 0 H VAL A 115 22.748 6.557 -34.433 1.00 21.22 H new ATOM 0 HA VAL A 115 20.919 8.568 -35.457 1.00 72.13 H new ATOM 0 HB VAL A 115 23.729 8.789 -34.300 1.00 34.51 H new ATOM 0 HG11 VAL A 115 23.205 11.179 -34.041 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.182 10.678 -35.749 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.652 10.924 -34.872 1.00 32.02 H new ATOM 0 HG21 VAL A 115 22.596 9.575 -32.262 1.00 0.35 H new ATOM 0 HG22 VAL A 115 21.018 9.254 -33.019 1.00 0.35 H new ATOM 0 HG23 VAL A 115 22.131 7.908 -32.675 1.00 0.35 H new ATOM 1730 N PRO A 116 21.978 9.199 -37.633 1.00 23.44 N ATOM 1731 CA PRO A 116 22.490 9.465 -38.980 1.00 12.20 C ATOM 1732 C PRO A 116 23.732 10.349 -38.963 1.00 62.14 C ATOM 1733 O PRO A 116 24.699 10.091 -39.679 1.00 15.32 O ATOM 1734 CB PRO A 116 21.327 10.190 -39.665 1.00 2.12 C ATOM 1735 CG PRO A 116 20.561 10.813 -38.550 1.00 24.01 C ATOM 1736 CD PRO A 116 20.696 9.879 -37.380 1.00 65.44 C ATOM 0 HA PRO A 116 22.798 8.551 -39.487 1.00 12.20 H new ATOM 0 HB2 PRO A 116 21.687 10.942 -40.367 1.00 2.12 H new ATOM 0 HB3 PRO A 116 20.707 9.496 -40.232 1.00 2.12 H new ATOM 0 HG2 PRO A 116 20.956 11.800 -38.309 1.00 24.01 H new ATOM 0 HG3 PRO A 116 19.514 10.947 -38.823 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.708 10.419 -36.434 1.00 65.44 H new ATOM 0 HD3 PRO A 116 19.868 9.171 -37.333 1.00 65.44 H new ATOM 1744 N ARG A 117 23.698 11.395 -38.142 1.00 4.04 N ATOM 1745 CA ARG A 117 24.821 12.317 -38.033 1.00 23.33 C ATOM 1746 C ARG A 117 26.067 11.601 -37.518 1.00 72.14 C ATOM 1747 O ARG A 117 25.974 10.692 -36.692 1.00 53.20 O ATOM 1748 CB ARG A 117 24.467 13.479 -37.104 1.00 24.40 C ATOM 1749 CG ARG A 117 23.508 14.483 -37.723 1.00 3.30 C ATOM 1750 CD ARG A 117 24.195 15.329 -38.783 1.00 34.14 C ATOM 1751 NE ARG A 117 25.289 16.120 -38.229 1.00 31.52 N ATOM 1752 CZ ARG A 117 25.909 17.087 -38.897 1.00 33.23 C ATOM 1753 NH1 ARG A 117 25.543 17.381 -40.137 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 26.897 17.763 -38.324 1.00 55.12 N ATOM 0 H ARG A 117 22.905 11.624 -37.543 1.00 4.04 H new ATOM 0 HA ARG A 117 25.034 12.708 -39.028 1.00 23.33 H new ATOM 0 HB2 ARG A 117 24.024 13.081 -36.191 1.00 24.40 H new ATOM 0 HB3 ARG A 117 25.383 13.994 -36.815 1.00 24.40 H new ATOM 0 HG2 ARG A 117 22.664 13.955 -38.168 1.00 3.30 H new ATOM 0 HG3 ARG A 117 23.105 15.130 -36.944 1.00 3.30 H new ATOM 0 HD2 ARG A 117 24.579 14.681 -39.571 1.00 34.14 H new ATOM 0 HD3 ARG A 117 23.465 15.994 -39.245 1.00 34.14 H new ATOM 0 HE ARG A 117 25.595 15.920 -37.277 1.00 31.52 H new ATOM 0 HH11 ARG A 117 24.784 16.864 -40.581 1.00 32.32 H new ATOM 0 HH12 ARG A 117 26.021 18.124 -40.647 1.00 32.32 H new ATOM 0 HH21 ARG A 117 27.181 17.540 -37.370 1.00 55.12 H new ATOM 0 HH22 ARG A 117 27.372 18.505 -38.838 1.00 55.12 H new