USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 70 ASN : amide:sc= -2.91 K(o=-6,f=-5.5) USER MOD Set 1.2: A 73 GLN : amide:sc= -2.79 K(o=-6,f=-11!) USER MOD Set 1.3: A 82 TYR OH : rot 83:sc= -0.31! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -2.29 K(o=-2.3,f=-3.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 55 SER OG : rot 56:sc= 0.915 USER MOD Single : A 58 SER OG : rot 97:sc= 0.068 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -72:sc= 1.39 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 77 ASN : amide:sc= -0.0871 X(o=-0.087,f=-0.33) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -5.402 6.963 -15.351 1.00 72.34 N ATOM 115 CA ALA A 9 -6.139 7.897 -16.193 1.00 13.54 C ATOM 116 C ALA A 9 -6.496 7.266 -17.534 1.00 25.41 C ATOM 117 O ALA A 9 -6.586 7.954 -18.551 1.00 25.04 O ATOM 118 CB ALA A 9 -5.330 9.168 -16.404 1.00 42.30 C ATOM 0 HA ALA A 9 -7.068 8.151 -15.683 1.00 13.54 H new ATOM 0 HB1 ALA A 9 -5.892 9.857 -17.035 1.00 42.30 H new ATOM 0 HB2 ALA A 9 -5.132 9.638 -15.440 1.00 42.30 H new ATOM 0 HB3 ALA A 9 -4.385 8.922 -16.888 1.00 42.30 H new ATOM 124 N ARG A 10 -6.696 5.952 -17.529 1.00 75.11 N ATOM 125 CA ARG A 10 -7.041 5.227 -18.746 1.00 50.34 C ATOM 126 C ARG A 10 -8.386 4.522 -18.597 1.00 40.22 C ATOM 127 O ARG A 10 -9.153 4.419 -19.554 1.00 74.30 O ATOM 128 CB ARG A 10 -5.953 4.206 -19.083 1.00 45.40 C ATOM 129 CG ARG A 10 -4.955 4.699 -20.118 1.00 43.13 C ATOM 130 CD ARG A 10 -4.590 3.602 -21.106 1.00 45.22 C ATOM 131 NE ARG A 10 -3.432 2.830 -20.664 1.00 5.24 N ATOM 132 CZ ARG A 10 -3.021 1.715 -21.257 1.00 52.04 C ATOM 133 NH1 ARG A 10 -3.671 1.244 -22.313 1.00 0.32 N ATOM 134 NH2 ARG A 10 -1.958 1.069 -20.796 1.00 33.43 N ATOM 0 H ARG A 10 -6.625 5.368 -16.696 1.00 75.11 H new ATOM 0 HA ARG A 10 -7.117 5.949 -19.559 1.00 50.34 H new ATOM 0 HB2 ARG A 10 -5.418 3.944 -18.171 1.00 45.40 H new ATOM 0 HB3 ARG A 10 -6.424 3.294 -19.450 1.00 45.40 H new ATOM 0 HG2 ARG A 10 -5.376 5.549 -20.655 1.00 43.13 H new ATOM 0 HG3 ARG A 10 -4.054 5.053 -19.617 1.00 43.13 H new ATOM 0 HD2 ARG A 10 -5.442 2.935 -21.237 1.00 45.22 H new ATOM 0 HD3 ARG A 10 -4.380 4.046 -22.079 1.00 45.22 H new ATOM 0 HE ARG A 10 -2.910 3.166 -19.855 1.00 5.24 H new ATOM 0 HH11 ARG A 10 -4.488 1.738 -22.671 1.00 0.32 H new ATOM 0 HH12 ARG A 10 -3.354 0.387 -22.767 1.00 0.32 H new ATOM 0 HH21 ARG A 10 -1.455 1.428 -19.985 1.00 33.43 H new ATOM 0 HH22 ARG A 10 -1.644 0.213 -21.253 1.00 33.43 H new ATOM 148 N SER A 11 -8.664 4.039 -17.391 1.00 31.42 N ATOM 149 CA SER A 11 -9.914 3.339 -17.117 1.00 52.31 C ATOM 150 C SER A 11 -11.047 4.330 -16.865 1.00 22.11 C ATOM 151 O SER A 11 -10.809 5.506 -16.595 1.00 10.41 O ATOM 152 CB SER A 11 -9.752 2.414 -15.909 1.00 40.52 C ATOM 153 OG SER A 11 -9.075 1.222 -16.267 1.00 74.13 O ATOM 0 H SER A 11 -8.041 4.119 -16.588 1.00 31.42 H new ATOM 0 HA SER A 11 -10.166 2.740 -17.992 1.00 52.31 H new ATOM 0 HB2 SER A 11 -9.198 2.929 -15.124 1.00 40.52 H new ATOM 0 HB3 SER A 11 -10.732 2.170 -15.500 1.00 40.52 H new ATOM 0 HG SER A 11 -8.983 0.649 -15.478 1.00 74.13 H new ATOM 159 N GLY A 12 -12.281 3.844 -16.956 1.00 31.25 N ATOM 160 CA GLY A 12 -13.433 4.698 -16.735 1.00 10.50 C ATOM 161 C GLY A 12 -13.490 5.240 -15.321 1.00 15.55 C ATOM 162 O GLY A 12 -12.814 4.734 -14.426 1.00 51.13 O ATOM 0 H GLY A 12 -12.503 2.874 -17.179 1.00 31.25 H new ATOM 0 HA2 GLY A 12 -13.405 5.530 -17.439 1.00 10.50 H new ATOM 0 HA3 GLY A 12 -14.343 4.136 -16.942 1.00 10.50 H new ATOM 166 N GLY A 13 -14.300 6.276 -15.117 1.00 70.52 N ATOM 167 CA GLY A 13 -14.427 6.871 -13.800 1.00 24.32 C ATOM 168 C GLY A 13 -13.243 7.747 -13.443 1.00 44.54 C ATOM 169 O GLY A 13 -12.139 7.252 -13.217 1.00 23.53 O ATOM 0 H GLY A 13 -14.870 6.713 -15.841 1.00 70.52 H new ATOM 0 HA2 GLY A 13 -15.340 7.465 -13.760 1.00 24.32 H new ATOM 0 HA3 GLY A 13 -14.528 6.081 -13.056 1.00 24.32 H new ATOM 173 N LYS A 14 -13.470 9.056 -13.395 1.00 74.41 N ATOM 174 CA LYS A 14 -12.414 10.005 -13.064 1.00 73.14 C ATOM 175 C LYS A 14 -12.967 11.173 -12.253 1.00 64.51 C ATOM 176 O LYS A 14 -14.121 11.567 -12.420 1.00 62.15 O ATOM 177 CB LYS A 14 -11.751 10.526 -14.341 1.00 65.01 C ATOM 178 CG LYS A 14 -10.682 9.598 -14.894 1.00 13.25 C ATOM 179 CD LYS A 14 -10.294 9.977 -16.313 1.00 13.11 C ATOM 180 CE LYS A 14 -9.508 11.279 -16.347 1.00 61.42 C ATOM 181 NZ LYS A 14 -10.189 12.317 -17.169 1.00 71.21 N ATOM 0 H LYS A 14 -14.377 9.484 -13.581 1.00 74.41 H new ATOM 0 HA LYS A 14 -11.669 9.486 -12.460 1.00 73.14 H new ATOM 0 HB2 LYS A 14 -12.517 10.679 -15.102 1.00 65.01 H new ATOM 0 HB3 LYS A 14 -11.305 11.500 -14.138 1.00 65.01 H new ATOM 0 HG2 LYS A 14 -9.801 9.634 -14.253 1.00 13.25 H new ATOM 0 HG3 LYS A 14 -11.047 8.571 -14.878 1.00 13.25 H new ATOM 0 HD2 LYS A 14 -9.697 9.179 -16.754 1.00 13.11 H new ATOM 0 HD3 LYS A 14 -11.192 10.077 -16.923 1.00 13.11 H new ATOM 0 HE2 LYS A 14 -9.376 11.650 -15.331 1.00 61.42 H new ATOM 0 HE3 LYS A 14 -8.513 11.092 -16.750 1.00 61.42 H new ATOM 0 HZ1 LYS A 14 -9.622 13.189 -17.167 1.00 71.21 H new ATOM 0 HZ2 LYS A 14 -10.293 11.974 -18.145 1.00 71.21 H new ATOM 0 HZ3 LYS A 14 -11.129 12.515 -16.770 1.00 71.21 H new ATOM 195 N VAL A 15 -12.135 11.723 -11.374 1.00 63.15 N ATOM 196 CA VAL A 15 -12.539 12.847 -10.539 1.00 53.31 C ATOM 197 C VAL A 15 -11.340 13.707 -10.156 1.00 22.43 C ATOM 198 O VAL A 15 -10.233 13.200 -9.969 1.00 44.45 O ATOM 199 CB VAL A 15 -13.245 12.368 -9.256 1.00 43.34 C ATOM 200 CG1 VAL A 15 -12.321 11.478 -8.440 1.00 21.25 C ATOM 201 CG2 VAL A 15 -13.718 13.557 -8.433 1.00 42.15 C ATOM 0 H VAL A 15 -11.177 11.408 -11.222 1.00 63.15 H new ATOM 0 HA VAL A 15 -13.236 13.443 -11.127 1.00 53.31 H new ATOM 0 HB VAL A 15 -14.119 11.781 -9.539 1.00 43.34 H new ATOM 0 HG11 VAL A 15 -12.836 11.149 -7.538 1.00 21.25 H new ATOM 0 HG12 VAL A 15 -12.036 10.609 -9.033 1.00 21.25 H new ATOM 0 HG13 VAL A 15 -11.427 12.037 -8.164 1.00 21.25 H new ATOM 0 HG21 VAL A 15 -14.214 13.200 -7.530 1.00 42.15 H new ATOM 0 HG22 VAL A 15 -12.862 14.172 -8.157 1.00 42.15 H new ATOM 0 HG23 VAL A 15 -14.417 14.151 -9.021 1.00 42.15 H new ATOM 211 N THR A 16 -11.567 15.011 -10.038 1.00 44.45 N ATOM 212 CA THR A 16 -10.505 15.942 -9.678 1.00 1.42 C ATOM 213 C THR A 16 -10.843 16.691 -8.394 1.00 22.25 C ATOM 214 O THR A 16 -11.835 17.417 -8.329 1.00 32.31 O ATOM 215 CB THR A 16 -10.248 16.964 -10.801 1.00 41.05 C ATOM 216 OG1 THR A 16 -9.284 17.932 -10.372 1.00 63.15 O ATOM 217 CG2 THR A 16 -11.537 17.667 -11.199 1.00 71.12 C ATOM 0 H THR A 16 -12.477 15.447 -10.187 1.00 44.45 H new ATOM 0 HA THR A 16 -9.604 15.348 -9.524 1.00 1.42 H new ATOM 0 HB THR A 16 -9.863 16.428 -11.668 1.00 41.05 H new ATOM 0 HG1 THR A 16 -9.125 18.577 -11.092 1.00 63.15 H new ATOM 0 HG21 THR A 16 -11.330 18.384 -11.994 1.00 71.12 H new ATOM 0 HG22 THR A 16 -12.258 16.931 -11.553 1.00 71.12 H new ATOM 0 HG23 THR A 16 -11.947 18.191 -10.336 1.00 71.12 H new ATOM 225 N PHE A 17 -10.011 16.510 -7.373 1.00 13.43 N ATOM 226 CA PHE A 17 -10.223 17.169 -6.089 1.00 4.01 C ATOM 227 C PHE A 17 -9.157 18.232 -5.841 1.00 44.54 C ATOM 228 O PHE A 17 -7.966 17.991 -6.039 1.00 22.30 O ATOM 229 CB PHE A 17 -10.207 16.141 -4.956 1.00 5.24 C ATOM 230 CG PHE A 17 -10.809 16.649 -3.677 1.00 50.30 C ATOM 231 CD1 PHE A 17 -10.211 17.685 -2.977 1.00 62.32 C ATOM 232 CD2 PHE A 17 -11.973 16.091 -3.175 1.00 34.14 C ATOM 233 CE1 PHE A 17 -10.763 18.155 -1.800 1.00 62.15 C ATOM 234 CE2 PHE A 17 -12.530 16.557 -1.999 1.00 12.23 C ATOM 235 CZ PHE A 17 -11.924 17.590 -1.310 1.00 64.52 C ATOM 0 H PHE A 17 -9.185 15.913 -7.410 1.00 13.43 H new ATOM 0 HA PHE A 17 -11.198 17.656 -6.115 1.00 4.01 H new ATOM 0 HB2 PHE A 17 -10.750 15.251 -5.276 1.00 5.24 H new ATOM 0 HB3 PHE A 17 -9.178 15.836 -4.768 1.00 5.24 H new ATOM 0 HD1 PHE A 17 -9.303 18.130 -3.356 1.00 62.32 H new ATOM 0 HD2 PHE A 17 -12.451 15.283 -3.708 1.00 34.14 H new ATOM 0 HE1 PHE A 17 -10.287 18.963 -1.264 1.00 62.15 H new ATOM 0 HE2 PHE A 17 -13.439 16.114 -1.619 1.00 12.23 H new ATOM 0 HZ PHE A 17 -12.357 17.955 -0.390 1.00 64.52 H new ATOM 245 N ARG A 18 -9.594 19.410 -5.408 1.00 41.43 N ATOM 246 CA ARG A 18 -8.679 20.512 -5.135 1.00 64.24 C ATOM 247 C ARG A 18 -8.607 20.801 -3.639 1.00 0.11 C ATOM 248 O ARG A 18 -9.565 21.298 -3.046 1.00 52.14 O ATOM 249 CB ARG A 18 -9.120 21.768 -5.888 1.00 11.40 C ATOM 250 CG ARG A 18 -8.263 22.988 -5.593 1.00 3.15 C ATOM 251 CD ARG A 18 -9.106 24.158 -5.111 1.00 2.34 C ATOM 252 NE ARG A 18 -8.296 25.346 -4.851 1.00 75.04 N ATOM 253 CZ ARG A 18 -8.728 26.392 -4.155 1.00 61.31 C ATOM 254 NH1 ARG A 18 -9.954 26.396 -3.651 1.00 10.24 N ATOM 255 NH2 ARG A 18 -7.932 27.436 -3.962 1.00 30.32 N ATOM 0 H ARG A 18 -10.576 19.626 -5.239 1.00 41.43 H new ATOM 0 HA ARG A 18 -7.687 20.221 -5.479 1.00 64.24 H new ATOM 0 HB2 ARG A 18 -9.094 21.567 -6.959 1.00 11.40 H new ATOM 0 HB3 ARG A 18 -10.155 21.991 -5.630 1.00 11.40 H new ATOM 0 HG2 ARG A 18 -7.520 22.737 -4.836 1.00 3.15 H new ATOM 0 HG3 ARG A 18 -7.718 23.277 -6.492 1.00 3.15 H new ATOM 0 HD2 ARG A 18 -9.863 24.392 -5.860 1.00 2.34 H new ATOM 0 HD3 ARG A 18 -9.635 23.873 -4.201 1.00 2.34 H new ATOM 0 HE ARG A 18 -7.347 25.374 -5.224 1.00 75.04 H new ATOM 0 HH11 ARG A 18 -10.568 25.595 -3.797 1.00 10.24 H new ATOM 0 HH12 ARG A 18 -10.283 27.200 -3.117 1.00 10.24 H new ATOM 0 HH21 ARG A 18 -6.988 27.436 -4.348 1.00 30.32 H new ATOM 0 HH22 ARG A 18 -8.264 28.239 -3.428 1.00 30.32 H new ATOM 269 N ILE A 19 -7.466 20.486 -3.035 1.00 13.24 N ATOM 270 CA ILE A 19 -7.270 20.713 -1.608 1.00 71.22 C ATOM 271 C ILE A 19 -6.385 21.930 -1.362 1.00 14.24 C ATOM 272 O ILE A 19 -5.321 22.069 -1.965 1.00 21.33 O ATOM 273 CB ILE A 19 -6.638 19.486 -0.925 1.00 22.11 C ATOM 274 CG1 ILE A 19 -7.457 18.229 -1.225 1.00 51.13 C ATOM 275 CG2 ILE A 19 -6.534 19.711 0.576 1.00 24.31 C ATOM 276 CD1 ILE A 19 -6.789 16.950 -0.772 1.00 70.22 C ATOM 0 H ILE A 19 -6.664 20.073 -3.511 1.00 13.24 H new ATOM 0 HA ILE A 19 -8.256 20.891 -1.178 1.00 71.22 H new ATOM 0 HB ILE A 19 -5.633 19.345 -1.323 1.00 22.11 H new ATOM 0 HG12 ILE A 19 -8.429 18.314 -0.739 1.00 51.13 H new ATOM 0 HG13 ILE A 19 -7.641 18.173 -2.298 1.00 51.13 H new ATOM 0 HG21 ILE A 19 -6.085 18.835 1.045 1.00 24.31 H new ATOM 0 HG22 ILE A 19 -5.913 20.585 0.771 1.00 24.31 H new ATOM 0 HG23 ILE A 19 -7.529 19.874 0.989 1.00 24.31 H new ATOM 0 HD11 ILE A 19 -7.426 16.100 -1.017 1.00 70.22 H new ATOM 0 HD12 ILE A 19 -5.829 16.842 -1.278 1.00 70.22 H new ATOM 0 HD13 ILE A 19 -6.629 16.985 0.306 1.00 70.22 H new ATOM 288 N ILE A 20 -6.832 22.809 -0.470 1.00 73.45 N ATOM 289 CA ILE A 20 -6.080 24.013 -0.142 1.00 23.22 C ATOM 290 C ILE A 20 -5.166 23.780 1.057 1.00 41.04 C ATOM 291 O ILE A 20 -5.610 23.320 2.110 1.00 44.24 O ATOM 292 CB ILE A 20 -7.017 25.196 0.163 1.00 5.55 C ATOM 293 CG1 ILE A 20 -6.202 26.464 0.429 1.00 53.43 C ATOM 294 CG2 ILE A 20 -7.907 24.874 1.354 1.00 72.31 C ATOM 295 CD1 ILE A 20 -6.345 27.512 -0.653 1.00 72.23 C ATOM 0 H ILE A 20 -7.711 22.709 0.038 1.00 73.45 H new ATOM 0 HA ILE A 20 -5.475 24.256 -1.016 1.00 23.22 H new ATOM 0 HB ILE A 20 -7.653 25.369 -0.705 1.00 5.55 H new ATOM 0 HG12 ILE A 20 -6.512 26.893 1.382 1.00 53.43 H new ATOM 0 HG13 ILE A 20 -5.150 26.196 0.527 1.00 53.43 H new ATOM 0 HG21 ILE A 20 -8.563 25.720 1.557 1.00 72.31 H new ATOM 0 HG22 ILE A 20 -8.509 23.993 1.131 1.00 72.31 H new ATOM 0 HG23 ILE A 20 -7.287 24.678 2.229 1.00 72.31 H new ATOM 0 HD11 ILE A 20 -5.740 28.383 -0.399 1.00 72.23 H new ATOM 0 HD12 ILE A 20 -6.007 27.101 -1.604 1.00 72.23 H new ATOM 0 HD13 ILE A 20 -7.391 27.808 -0.737 1.00 72.23 H new ATOM 307 N LEU A 21 -3.888 24.102 0.890 1.00 21.03 N ATOM 308 CA LEU A 21 -2.910 23.930 1.959 1.00 12.13 C ATOM 309 C LEU A 21 -2.655 25.249 2.681 1.00 11.32 C ATOM 310 O LEU A 21 -2.646 26.316 2.065 1.00 21.32 O ATOM 311 CB LEU A 21 -1.598 23.383 1.394 1.00 33.22 C ATOM 312 CG LEU A 21 -1.716 22.150 0.497 1.00 54.32 C ATOM 313 CD1 LEU A 21 -2.772 21.197 1.036 1.00 63.14 C ATOM 314 CD2 LEU A 21 -2.044 22.560 -0.932 1.00 34.05 C ATOM 0 H LEU A 21 -3.505 24.483 0.025 1.00 21.03 H new ATOM 0 HA LEU A 21 -3.315 23.216 2.677 1.00 12.13 H new ATOM 0 HB2 LEU A 21 -1.112 24.176 0.826 1.00 33.22 H new ATOM 0 HB3 LEU A 21 -0.940 23.139 2.228 1.00 33.22 H new ATOM 0 HG LEU A 21 -0.757 21.633 0.494 1.00 54.32 H new ATOM 0 HD11 LEU A 21 -2.842 20.326 0.385 1.00 63.14 H new ATOM 0 HD12 LEU A 21 -2.495 20.878 2.041 1.00 63.14 H new ATOM 0 HD13 LEU A 21 -3.737 21.704 1.069 1.00 63.14 H new ATOM 0 HD21 LEU A 21 -2.124 21.670 -1.556 1.00 34.05 H new ATOM 0 HD22 LEU A 21 -2.990 23.101 -0.947 1.00 34.05 H new ATOM 0 HD23 LEU A 21 -1.253 23.203 -1.317 1.00 34.05 H new ATOM 326 N THR A 22 -2.446 25.170 3.992 1.00 42.13 N ATOM 327 CA THR A 22 -2.189 26.357 4.798 1.00 72.12 C ATOM 328 C THR A 22 -0.693 26.583 4.982 1.00 11.25 C ATOM 329 O THR A 22 -0.252 27.703 5.240 1.00 12.14 O ATOM 330 CB THR A 22 -2.856 26.250 6.183 1.00 45.35 C ATOM 331 OG1 THR A 22 -2.723 27.490 6.887 1.00 52.14 O ATOM 332 CG2 THR A 22 -2.231 25.129 6.999 1.00 70.44 C ATOM 0 H THR A 22 -2.450 24.296 4.518 1.00 42.13 H new ATOM 0 HA THR A 22 -2.618 27.203 4.261 1.00 72.12 H new ATOM 0 HB THR A 22 -3.913 26.026 6.037 1.00 45.35 H new ATOM 0 HG1 THR A 22 -3.151 27.415 7.766 1.00 52.14 H new ATOM 0 HG21 THR A 22 -2.718 25.073 7.973 1.00 70.44 H new ATOM 0 HG22 THR A 22 -2.358 24.182 6.474 1.00 70.44 H new ATOM 0 HG23 THR A 22 -1.168 25.328 7.136 1.00 70.44 H new ATOM 340 N SER A 23 0.084 25.513 4.848 1.00 34.12 N ATOM 341 CA SER A 23 1.531 25.595 5.003 1.00 22.34 C ATOM 342 C SER A 23 2.214 25.760 3.649 1.00 3.43 C ATOM 343 O SER A 23 3.381 26.144 3.574 1.00 10.22 O ATOM 344 CB SER A 23 2.062 24.343 5.705 1.00 33.01 C ATOM 345 OG SER A 23 3.421 24.502 6.073 1.00 60.34 O ATOM 0 H SER A 23 -0.265 24.579 4.632 1.00 34.12 H new ATOM 0 HA SER A 23 1.757 26.469 5.614 1.00 22.34 H new ATOM 0 HB2 SER A 23 1.463 24.138 6.593 1.00 33.01 H new ATOM 0 HB3 SER A 23 1.959 23.481 5.046 1.00 33.01 H new ATOM 0 HG SER A 23 3.736 23.689 6.521 1.00 60.34 H new ATOM 351 N GLU A 24 1.478 25.468 2.582 1.00 34.21 N ATOM 352 CA GLU A 24 2.012 25.583 1.230 1.00 4.45 C ATOM 353 C GLU A 24 1.590 26.902 0.589 1.00 2.23 C ATOM 354 O GLU A 24 0.952 26.916 -0.464 1.00 3.44 O ATOM 355 CB GLU A 24 1.540 24.410 0.369 1.00 12.40 C ATOM 356 CG GLU A 24 2.502 24.051 -0.751 1.00 10.13 C ATOM 357 CD GLU A 24 3.634 23.157 -0.283 1.00 1.43 C ATOM 358 OE1 GLU A 24 4.268 23.491 0.740 1.00 22.23 O ATOM 359 OE2 GLU A 24 3.886 22.125 -0.939 1.00 1.41 O ATOM 0 H GLU A 24 0.510 25.150 2.627 1.00 34.21 H new ATOM 0 HA GLU A 24 3.100 25.562 1.294 1.00 4.45 H new ATOM 0 HB2 GLU A 24 1.396 23.538 1.006 1.00 12.40 H new ATOM 0 HB3 GLU A 24 0.569 24.654 -0.062 1.00 12.40 H new ATOM 0 HG2 GLU A 24 1.954 23.550 -1.549 1.00 10.13 H new ATOM 0 HG3 GLU A 24 2.917 24.965 -1.175 1.00 10.13 H new ATOM 366 N ARG A 25 1.950 28.008 1.232 1.00 3.04 N ATOM 367 CA ARG A 25 1.608 29.332 0.727 1.00 73.23 C ATOM 368 C ARG A 25 2.165 29.538 -0.679 1.00 5.25 C ATOM 369 O ARG A 25 1.667 30.368 -1.439 1.00 61.44 O ATOM 370 CB ARG A 25 2.146 30.414 1.664 1.00 15.35 C ATOM 371 CG ARG A 25 1.200 31.591 1.842 1.00 31.13 C ATOM 372 CD ARG A 25 1.569 32.423 3.060 1.00 2.32 C ATOM 373 NE ARG A 25 0.984 31.889 4.287 1.00 74.44 N ATOM 374 CZ ARG A 25 1.000 32.531 5.449 1.00 32.33 C ATOM 375 NH1 ARG A 25 1.569 33.725 5.543 1.00 35.42 N ATOM 376 NH2 ARG A 25 0.446 31.979 6.521 1.00 33.42 N ATOM 0 H ARG A 25 2.479 28.013 2.104 1.00 3.04 H new ATOM 0 HA ARG A 25 0.521 29.407 0.684 1.00 73.23 H new ATOM 0 HB2 ARG A 25 2.348 29.971 2.639 1.00 15.35 H new ATOM 0 HB3 ARG A 25 3.097 30.779 1.276 1.00 15.35 H new ATOM 0 HG2 ARG A 25 1.226 32.218 0.951 1.00 31.13 H new ATOM 0 HG3 ARG A 25 0.178 31.226 1.946 1.00 31.13 H new ATOM 0 HD2 ARG A 25 2.654 32.456 3.161 1.00 2.32 H new ATOM 0 HD3 ARG A 25 1.231 33.449 2.914 1.00 2.32 H new ATOM 0 HE ARG A 25 0.539 30.972 4.249 1.00 74.44 H new ATOM 0 HH11 ARG A 25 1.996 34.153 4.721 1.00 35.42 H new ATOM 0 HH12 ARG A 25 1.580 34.216 6.437 1.00 35.42 H new ATOM 0 HH21 ARG A 25 0.007 31.061 6.453 1.00 33.42 H new ATOM 0 HH22 ARG A 25 0.459 32.473 7.413 1.00 33.42 H new ATOM 390 N SER A 26 3.203 28.778 -1.015 1.00 53.34 N ATOM 391 CA SER A 26 3.831 28.881 -2.327 1.00 62.32 C ATOM 392 C SER A 26 2.827 28.581 -3.436 1.00 14.02 C ATOM 393 O SER A 26 2.886 29.167 -4.516 1.00 44.12 O ATOM 394 CB SER A 26 5.017 27.919 -2.424 1.00 61.05 C ATOM 395 OG SER A 26 6.242 28.596 -2.203 1.00 21.10 O ATOM 0 H SER A 26 3.626 28.085 -0.398 1.00 53.34 H new ATOM 0 HA SER A 26 4.189 29.903 -2.452 1.00 62.32 H new ATOM 0 HB2 SER A 26 4.902 27.120 -1.691 1.00 61.05 H new ATOM 0 HB3 SER A 26 5.029 27.450 -3.408 1.00 61.05 H new ATOM 0 HG SER A 26 6.984 27.959 -2.269 1.00 21.10 H new ATOM 401 N GLN A 27 1.905 27.664 -3.159 1.00 10.45 N ATOM 402 CA GLN A 27 0.888 27.286 -4.132 1.00 74.01 C ATOM 403 C GLN A 27 -0.211 26.456 -3.476 1.00 54.35 C ATOM 404 O GLN A 27 -0.369 25.266 -3.747 1.00 21.41 O ATOM 405 CB GLN A 27 1.519 26.500 -5.282 1.00 25.40 C ATOM 406 CG GLN A 27 1.860 27.357 -6.490 1.00 71.34 C ATOM 407 CD GLN A 27 1.419 26.726 -7.796 1.00 61.44 C ATOM 408 OE1 GLN A 27 1.197 25.517 -7.871 1.00 62.32 O ATOM 409 NE2 GLN A 27 1.290 27.543 -8.835 1.00 75.30 N ATOM 0 H GLN A 27 1.842 27.170 -2.269 1.00 10.45 H new ATOM 0 HA GLN A 27 0.442 28.199 -4.527 1.00 74.01 H new ATOM 0 HB2 GLN A 27 2.427 26.014 -4.924 1.00 25.40 H new ATOM 0 HB3 GLN A 27 0.834 25.710 -5.589 1.00 25.40 H new ATOM 0 HG2 GLN A 27 1.386 28.333 -6.384 1.00 71.34 H new ATOM 0 HG3 GLN A 27 2.936 27.527 -6.518 1.00 71.34 H new ATOM 0 HE21 GLN A 27 1.484 28.539 -8.728 1.00 75.30 H new ATOM 0 HE22 GLN A 27 0.997 27.175 -9.740 1.00 75.30 H new ATOM 418 N PRO A 28 -0.990 27.098 -2.593 1.00 35.20 N ATOM 419 CA PRO A 28 -2.089 26.438 -1.880 1.00 44.05 C ATOM 420 C PRO A 28 -3.252 26.091 -2.803 1.00 32.13 C ATOM 421 O PRO A 28 -4.352 26.624 -2.658 1.00 55.22 O ATOM 422 CB PRO A 28 -2.519 27.482 -0.847 1.00 24.12 C ATOM 423 CG PRO A 28 -2.113 28.788 -1.436 1.00 42.44 C ATOM 424 CD PRO A 28 -0.860 28.517 -2.222 1.00 23.10 C ATOM 0 HA PRO A 28 -1.780 25.489 -1.443 1.00 44.05 H new ATOM 0 HB2 PRO A 28 -3.594 27.445 -0.670 1.00 24.12 H new ATOM 0 HB3 PRO A 28 -2.032 27.312 0.113 1.00 24.12 H new ATOM 0 HG2 PRO A 28 -2.898 29.187 -2.079 1.00 42.44 H new ATOM 0 HG3 PRO A 28 -1.932 29.528 -0.657 1.00 42.44 H new ATOM 0 HD2 PRO A 28 -0.791 29.157 -3.101 1.00 23.10 H new ATOM 0 HD3 PRO A 28 0.035 28.696 -1.626 1.00 23.10 H new ATOM 432 N PHE A 29 -3.003 25.194 -3.751 1.00 24.43 N ATOM 433 CA PHE A 29 -4.030 24.776 -4.697 1.00 71.43 C ATOM 434 C PHE A 29 -3.529 23.631 -5.573 1.00 74.30 C ATOM 435 O PHE A 29 -3.380 23.782 -6.786 1.00 35.13 O ATOM 436 CB PHE A 29 -4.456 25.955 -5.574 1.00 63.13 C ATOM 437 CG PHE A 29 -3.307 26.807 -6.032 1.00 3.11 C ATOM 438 CD1 PHE A 29 -2.860 27.865 -5.257 1.00 24.14 C ATOM 439 CD2 PHE A 29 -2.674 26.551 -7.238 1.00 21.34 C ATOM 440 CE1 PHE A 29 -1.802 28.651 -5.675 1.00 32.15 C ATOM 441 CE2 PHE A 29 -1.616 27.333 -7.660 1.00 62.14 C ATOM 442 CZ PHE A 29 -1.180 28.385 -6.879 1.00 13.04 C ATOM 0 H PHE A 29 -2.098 24.742 -3.884 1.00 24.43 H new ATOM 0 HA PHE A 29 -4.891 24.425 -4.128 1.00 71.43 H new ATOM 0 HB2 PHE A 29 -4.987 25.575 -6.447 1.00 63.13 H new ATOM 0 HB3 PHE A 29 -5.159 26.575 -5.018 1.00 63.13 H new ATOM 0 HD1 PHE A 29 -3.344 28.078 -4.315 1.00 24.14 H new ATOM 0 HD2 PHE A 29 -3.011 25.731 -7.855 1.00 21.34 H new ATOM 0 HE1 PHE A 29 -1.462 29.472 -5.061 1.00 32.15 H new ATOM 0 HE2 PHE A 29 -1.130 27.121 -8.601 1.00 62.14 H new ATOM 0 HZ PHE A 29 -0.355 28.998 -7.209 1.00 13.04 H new ATOM 452 N ARG A 30 -3.271 22.486 -4.949 1.00 42.02 N ATOM 453 CA ARG A 30 -2.785 21.316 -5.670 1.00 71.33 C ATOM 454 C ARG A 30 -3.944 20.418 -6.093 1.00 32.32 C ATOM 455 O ARG A 30 -4.652 19.863 -5.252 1.00 70.01 O ATOM 456 CB ARG A 30 -1.804 20.526 -4.802 1.00 33.23 C ATOM 457 CG ARG A 30 -0.355 20.667 -5.237 1.00 1.41 C ATOM 458 CD ARG A 30 -0.145 20.149 -6.651 1.00 3.20 C ATOM 459 NE ARG A 30 1.271 19.991 -6.971 1.00 24.31 N ATOM 460 CZ ARG A 30 2.101 21.011 -7.159 1.00 70.14 C ATOM 461 NH1 ARG A 30 1.658 22.257 -7.060 1.00 62.30 N ATOM 462 NH2 ARG A 30 3.377 20.786 -7.447 1.00 74.05 N ATOM 0 H ARG A 30 -3.390 22.344 -3.946 1.00 42.02 H new ATOM 0 HA ARG A 30 -2.269 21.661 -6.566 1.00 71.33 H new ATOM 0 HB2 ARG A 30 -1.898 20.858 -3.768 1.00 33.23 H new ATOM 0 HB3 ARG A 30 -2.080 19.472 -4.824 1.00 33.23 H new ATOM 0 HG2 ARG A 30 -0.058 21.715 -5.184 1.00 1.41 H new ATOM 0 HG3 ARG A 30 0.288 20.119 -4.548 1.00 1.41 H new ATOM 0 HD2 ARG A 30 -0.652 19.191 -6.765 1.00 3.20 H new ATOM 0 HD3 ARG A 30 -0.603 20.838 -7.361 1.00 3.20 H new ATOM 0 HE ARG A 30 1.643 19.045 -7.055 1.00 24.31 H new ATOM 0 HH11 ARG A 30 0.678 22.434 -6.839 1.00 62.30 H new ATOM 0 HH12 ARG A 30 2.297 23.039 -7.205 1.00 62.30 H new ATOM 0 HH21 ARG A 30 3.721 19.829 -7.524 1.00 74.05 H new ATOM 0 HH22 ARG A 30 4.013 21.570 -7.591 1.00 74.05 H new ATOM 476 N VAL A 31 -4.133 20.280 -7.401 1.00 65.34 N ATOM 477 CA VAL A 31 -5.205 19.449 -7.936 1.00 41.10 C ATOM 478 C VAL A 31 -4.761 17.997 -8.069 1.00 62.24 C ATOM 479 O VAL A 31 -3.672 17.714 -8.570 1.00 71.34 O ATOM 480 CB VAL A 31 -5.677 19.958 -9.311 1.00 11.32 C ATOM 481 CG1 VAL A 31 -6.335 21.323 -9.178 1.00 10.33 C ATOM 482 CG2 VAL A 31 -4.512 20.012 -10.288 1.00 31.25 C ATOM 0 H VAL A 31 -3.557 20.733 -8.110 1.00 65.34 H new ATOM 0 HA VAL A 31 -6.034 19.509 -7.231 1.00 41.10 H new ATOM 0 HB VAL A 31 -6.418 19.261 -9.702 1.00 11.32 H new ATOM 0 HG11 VAL A 31 -6.662 21.666 -10.159 1.00 10.33 H new ATOM 0 HG12 VAL A 31 -7.196 21.249 -8.514 1.00 10.33 H new ATOM 0 HG13 VAL A 31 -5.619 22.033 -8.765 1.00 10.33 H new ATOM 0 HG21 VAL A 31 -4.864 20.374 -11.254 1.00 31.25 H new ATOM 0 HG22 VAL A 31 -3.747 20.687 -9.905 1.00 31.25 H new ATOM 0 HG23 VAL A 31 -4.090 19.014 -10.406 1.00 31.25 H new ATOM 492 N ILE A 32 -5.610 17.080 -7.618 1.00 54.23 N ATOM 493 CA ILE A 32 -5.306 15.657 -7.689 1.00 21.51 C ATOM 494 C ILE A 32 -6.353 14.911 -8.510 1.00 24.55 C ATOM 495 O ILE A 32 -7.546 14.973 -8.216 1.00 54.23 O ATOM 496 CB ILE A 32 -5.226 15.028 -6.285 1.00 75.43 C ATOM 497 CG1 ILE A 32 -6.413 15.481 -5.432 1.00 22.43 C ATOM 498 CG2 ILE A 32 -3.912 15.396 -5.613 1.00 52.05 C ATOM 499 CD1 ILE A 32 -6.471 14.814 -4.075 1.00 65.11 C ATOM 0 H ILE A 32 -6.514 17.298 -7.199 1.00 54.23 H new ATOM 0 HA ILE A 32 -4.335 15.566 -8.175 1.00 21.51 H new ATOM 0 HB ILE A 32 -5.268 13.943 -6.386 1.00 75.43 H new ATOM 0 HG12 ILE A 32 -6.361 16.561 -5.295 1.00 22.43 H new ATOM 0 HG13 ILE A 32 -7.338 15.272 -5.970 1.00 22.43 H new ATOM 0 HG21 ILE A 32 -3.871 14.944 -4.622 1.00 52.05 H new ATOM 0 HG22 ILE A 32 -3.080 15.028 -6.214 1.00 52.05 H new ATOM 0 HG23 ILE A 32 -3.842 16.480 -5.521 1.00 52.05 H new ATOM 0 HD11 ILE A 32 -7.337 15.183 -3.525 1.00 65.11 H new ATOM 0 HD12 ILE A 32 -6.555 13.735 -4.203 1.00 65.11 H new ATOM 0 HD13 ILE A 32 -5.563 15.044 -3.518 1.00 65.11 H new ATOM 511 N SER A 33 -5.896 14.203 -9.538 1.00 52.22 N ATOM 512 CA SER A 33 -6.793 13.446 -10.403 1.00 72.11 C ATOM 513 C SER A 33 -6.762 11.962 -10.052 1.00 33.45 C ATOM 514 O SER A 33 -5.713 11.320 -10.112 1.00 1.21 O ATOM 515 CB SER A 33 -6.407 13.642 -11.870 1.00 53.15 C ATOM 516 OG SER A 33 -6.278 15.018 -12.184 1.00 54.03 O ATOM 0 H SER A 33 -4.910 14.138 -9.792 1.00 52.22 H new ATOM 0 HA SER A 33 -7.806 13.817 -10.248 1.00 72.11 H new ATOM 0 HB2 SER A 33 -5.467 13.130 -12.073 1.00 53.15 H new ATOM 0 HB3 SER A 33 -7.162 13.189 -12.512 1.00 53.15 H new ATOM 0 HG SER A 33 -6.029 15.116 -13.127 1.00 54.03 H new ATOM 522 N ILE A 34 -7.920 11.423 -9.684 1.00 60.12 N ATOM 523 CA ILE A 34 -8.026 10.015 -9.324 1.00 35.42 C ATOM 524 C ILE A 34 -9.321 9.408 -9.855 1.00 23.42 C ATOM 525 O ILE A 34 -10.321 10.104 -10.025 1.00 1.13 O ATOM 526 CB ILE A 34 -7.969 9.818 -7.797 1.00 50.23 C ATOM 527 CG1 ILE A 34 -6.833 10.649 -7.197 1.00 32.13 C ATOM 528 CG2 ILE A 34 -7.792 8.346 -7.459 1.00 64.51 C ATOM 529 CD1 ILE A 34 -7.256 12.041 -6.783 1.00 51.24 C ATOM 0 H ILE A 34 -8.797 11.940 -9.628 1.00 60.12 H new ATOM 0 HA ILE A 34 -7.175 9.508 -9.780 1.00 35.42 H new ATOM 0 HB ILE A 34 -8.910 10.158 -7.366 1.00 50.23 H new ATOM 0 HG12 ILE A 34 -6.431 10.127 -6.329 1.00 32.13 H new ATOM 0 HG13 ILE A 34 -6.025 10.725 -7.925 1.00 32.13 H new ATOM 0 HG21 ILE A 34 -7.754 8.223 -6.377 1.00 64.51 H new ATOM 0 HG22 ILE A 34 -8.631 7.777 -7.859 1.00 64.51 H new ATOM 0 HG23 ILE A 34 -6.864 7.981 -7.899 1.00 64.51 H new ATOM 0 HD11 ILE A 34 -6.400 12.572 -6.366 1.00 51.24 H new ATOM 0 HD12 ILE A 34 -7.630 12.581 -7.653 1.00 51.24 H new ATOM 0 HD13 ILE A 34 -8.042 11.974 -6.031 1.00 51.24 H new ATOM 541 N ALA A 35 -9.294 8.104 -10.114 1.00 10.35 N ATOM 542 CA ALA A 35 -10.466 7.402 -10.621 1.00 50.24 C ATOM 543 C ALA A 35 -11.539 7.274 -9.545 1.00 44.31 C ATOM 544 O ALA A 35 -11.231 7.206 -8.356 1.00 13.55 O ATOM 545 CB ALA A 35 -10.073 6.028 -11.144 1.00 10.25 C ATOM 0 H ALA A 35 -8.473 7.513 -9.981 1.00 10.35 H new ATOM 0 HA ALA A 35 -10.881 7.986 -11.442 1.00 50.24 H new ATOM 0 HB1 ALA A 35 -10.958 5.515 -11.520 1.00 10.25 H new ATOM 0 HB2 ALA A 35 -9.348 6.139 -11.951 1.00 10.25 H new ATOM 0 HB3 ALA A 35 -9.630 5.444 -10.337 1.00 10.25 H new ATOM 551 N GLU A 36 -12.797 7.243 -9.971 1.00 75.12 N ATOM 552 CA GLU A 36 -13.915 7.125 -9.042 1.00 70.20 C ATOM 553 C GLU A 36 -13.819 5.832 -8.238 1.00 35.44 C ATOM 554 O GLU A 36 -14.385 5.723 -7.150 1.00 65.50 O ATOM 555 CB GLU A 36 -15.244 7.170 -9.799 1.00 42.23 C ATOM 556 CG GLU A 36 -16.405 7.680 -8.962 1.00 23.53 C ATOM 557 CD GLU A 36 -17.725 7.637 -9.707 1.00 23.22 C ATOM 558 OE1 GLU A 36 -17.947 8.513 -10.568 1.00 54.14 O ATOM 559 OE2 GLU A 36 -18.535 6.728 -9.429 1.00 4.14 O ATOM 0 H GLU A 36 -13.068 7.298 -10.953 1.00 75.12 H new ATOM 0 HA GLU A 36 -13.870 7.967 -8.351 1.00 70.20 H new ATOM 0 HB2 GLU A 36 -15.132 7.808 -10.676 1.00 42.23 H new ATOM 0 HB3 GLU A 36 -15.480 6.169 -10.161 1.00 42.23 H new ATOM 0 HG2 GLU A 36 -16.485 7.081 -8.055 1.00 23.53 H new ATOM 0 HG3 GLU A 36 -16.201 8.705 -8.651 1.00 23.53 H new ATOM 566 N GLU A 37 -13.101 4.855 -8.782 1.00 24.30 N ATOM 567 CA GLU A 37 -12.932 3.569 -8.116 1.00 34.44 C ATOM 568 C GLU A 37 -11.470 3.332 -7.751 1.00 64.11 C ATOM 569 O GLU A 37 -11.103 2.258 -7.276 1.00 35.44 O ATOM 570 CB GLU A 37 -13.436 2.435 -9.012 1.00 1.13 C ATOM 571 CG GLU A 37 -14.594 1.655 -8.413 1.00 60.41 C ATOM 572 CD GLU A 37 -15.008 0.475 -9.271 1.00 53.25 C ATOM 573 OE1 GLU A 37 -15.792 0.681 -10.222 1.00 70.50 O ATOM 574 OE2 GLU A 37 -14.550 -0.652 -8.993 1.00 64.20 O ATOM 0 H GLU A 37 -12.627 4.929 -9.682 1.00 24.30 H new ATOM 0 HA GLU A 37 -13.519 3.585 -7.198 1.00 34.44 H new ATOM 0 HB2 GLU A 37 -13.746 2.851 -9.970 1.00 1.13 H new ATOM 0 HB3 GLU A 37 -12.613 1.749 -9.214 1.00 1.13 H new ATOM 0 HG2 GLU A 37 -14.313 1.298 -7.422 1.00 60.41 H new ATOM 0 HG3 GLU A 37 -15.447 2.321 -8.282 1.00 60.41 H new ATOM 581 N ALA A 38 -10.638 4.344 -7.978 1.00 72.54 N ATOM 582 CA ALA A 38 -9.216 4.247 -7.673 1.00 72.01 C ATOM 583 C ALA A 38 -8.945 4.580 -6.210 1.00 31.52 C ATOM 584 O ALA A 38 -9.661 5.360 -5.583 1.00 14.14 O ATOM 585 CB ALA A 38 -8.417 5.169 -8.583 1.00 33.34 C ATOM 0 H ALA A 38 -10.925 5.240 -8.372 1.00 72.54 H new ATOM 0 HA ALA A 38 -8.901 3.218 -7.849 1.00 72.01 H new ATOM 0 HB1 ALA A 38 -7.357 5.086 -8.344 1.00 33.34 H new ATOM 0 HB2 ALA A 38 -8.578 4.883 -9.622 1.00 33.34 H new ATOM 0 HB3 ALA A 38 -8.743 6.198 -8.435 1.00 33.34 H new ATOM 591 N PRO A 39 -7.887 3.974 -5.651 1.00 21.13 N ATOM 592 CA PRO A 39 -7.497 4.191 -4.254 1.00 73.43 C ATOM 593 C PRO A 39 -6.944 5.592 -4.017 1.00 73.24 C ATOM 594 O PRO A 39 -6.649 6.322 -4.964 1.00 63.04 O ATOM 595 CB PRO A 39 -6.409 3.140 -4.023 1.00 24.24 C ATOM 596 CG PRO A 39 -5.845 2.874 -5.376 1.00 31.53 C ATOM 597 CD PRO A 39 -6.989 3.031 -6.339 1.00 41.50 C ATOM 0 HA PRO A 39 -8.345 4.103 -3.575 1.00 73.43 H new ATOM 0 HB2 PRO A 39 -5.643 3.507 -3.340 1.00 24.24 H new ATOM 0 HB3 PRO A 39 -6.822 2.233 -3.581 1.00 24.24 H new ATOM 0 HG2 PRO A 39 -5.041 3.572 -5.608 1.00 31.53 H new ATOM 0 HG3 PRO A 39 -5.422 1.871 -5.432 1.00 31.53 H new ATOM 0 HD2 PRO A 39 -6.655 3.423 -7.300 1.00 41.50 H new ATOM 0 HD3 PRO A 39 -7.481 2.079 -6.537 1.00 41.50 H new ATOM 605 N LEU A 40 -6.806 5.962 -2.749 1.00 71.50 N ATOM 606 CA LEU A 40 -6.287 7.276 -2.387 1.00 54.25 C ATOM 607 C LEU A 40 -4.826 7.417 -2.800 1.00 3.21 C ATOM 608 O LEU A 40 -4.347 8.521 -3.064 1.00 61.32 O ATOM 609 CB LEU A 40 -6.429 7.506 -0.882 1.00 23.43 C ATOM 610 CG LEU A 40 -5.734 8.748 -0.324 1.00 11.40 C ATOM 611 CD1 LEU A 40 -6.598 9.982 -0.533 1.00 53.13 C ATOM 612 CD2 LEU A 40 -5.414 8.563 1.152 1.00 11.22 C ATOM 0 H LEU A 40 -7.046 5.370 -1.954 1.00 71.50 H new ATOM 0 HA LEU A 40 -6.869 8.028 -2.919 1.00 54.25 H new ATOM 0 HB2 LEU A 40 -7.491 7.570 -0.643 1.00 23.43 H new ATOM 0 HB3 LEU A 40 -6.038 6.631 -0.363 1.00 23.43 H new ATOM 0 HG LEU A 40 -4.797 8.889 -0.863 1.00 11.40 H new ATOM 0 HD11 LEU A 40 -6.087 10.856 -0.130 1.00 53.13 H new ATOM 0 HD12 LEU A 40 -6.776 10.125 -1.599 1.00 53.13 H new ATOM 0 HD13 LEU A 40 -7.551 9.850 -0.021 1.00 53.13 H new ATOM 0 HD21 LEU A 40 -4.920 9.457 1.532 1.00 11.22 H new ATOM 0 HD22 LEU A 40 -6.337 8.396 1.706 1.00 11.22 H new ATOM 0 HD23 LEU A 40 -4.755 7.703 1.277 1.00 11.22 H new ATOM 624 N THR A 41 -4.120 6.292 -2.855 1.00 74.43 N ATOM 625 CA THR A 41 -2.714 6.289 -3.237 1.00 22.13 C ATOM 626 C THR A 41 -2.492 7.073 -4.525 1.00 60.21 C ATOM 627 O THR A 41 -1.431 7.661 -4.730 1.00 64.10 O ATOM 628 CB THR A 41 -2.185 4.854 -3.425 1.00 14.34 C ATOM 629 OG1 THR A 41 -2.927 4.190 -4.454 1.00 31.14 O ATOM 630 CG2 THR A 41 -2.289 4.065 -2.128 1.00 2.40 C ATOM 0 H THR A 41 -4.500 5.370 -2.639 1.00 74.43 H new ATOM 0 HA THR A 41 -2.166 6.767 -2.425 1.00 22.13 H new ATOM 0 HB THR A 41 -1.135 4.912 -3.714 1.00 14.34 H new ATOM 0 HG1 THR A 41 -2.584 3.279 -4.569 1.00 31.14 H new ATOM 0 HG21 THR A 41 -1.910 3.055 -2.285 1.00 2.40 H new ATOM 0 HG22 THR A 41 -1.700 4.558 -1.354 1.00 2.40 H new ATOM 0 HG23 THR A 41 -3.332 4.016 -1.814 1.00 2.40 H new ATOM 638 N ALA A 42 -3.501 7.077 -5.391 1.00 4.44 N ATOM 639 CA ALA A 42 -3.416 7.792 -6.658 1.00 71.23 C ATOM 640 C ALA A 42 -3.172 9.280 -6.434 1.00 40.34 C ATOM 641 O ALA A 42 -2.351 9.894 -7.116 1.00 32.31 O ATOM 642 CB ALA A 42 -4.686 7.579 -7.469 1.00 43.44 C ATOM 0 H ALA A 42 -4.386 6.593 -5.238 1.00 4.44 H new ATOM 0 HA ALA A 42 -2.569 7.393 -7.217 1.00 71.23 H new ATOM 0 HB1 ALA A 42 -4.610 8.118 -8.413 1.00 43.44 H new ATOM 0 HB2 ALA A 42 -4.816 6.515 -7.668 1.00 43.44 H new ATOM 0 HB3 ALA A 42 -5.543 7.950 -6.907 1.00 43.44 H new ATOM 648 N ALA A 43 -3.891 9.855 -5.476 1.00 5.44 N ATOM 649 CA ALA A 43 -3.751 11.272 -5.161 1.00 64.14 C ATOM 650 C ALA A 43 -2.482 11.533 -4.356 1.00 71.13 C ATOM 651 O ALA A 43 -1.907 12.621 -4.419 1.00 75.40 O ATOM 652 CB ALA A 43 -4.972 11.767 -4.401 1.00 61.01 C ATOM 0 H ALA A 43 -4.577 9.362 -4.904 1.00 5.44 H new ATOM 0 HA ALA A 43 -3.674 11.821 -6.099 1.00 64.14 H new ATOM 0 HB1 ALA A 43 -4.854 12.826 -4.173 1.00 61.01 H new ATOM 0 HB2 ALA A 43 -5.863 11.625 -5.012 1.00 61.01 H new ATOM 0 HB3 ALA A 43 -5.075 11.205 -3.473 1.00 61.01 H new ATOM 658 N LEU A 44 -2.050 10.530 -3.600 1.00 33.11 N ATOM 659 CA LEU A 44 -0.849 10.651 -2.781 1.00 51.21 C ATOM 660 C LEU A 44 0.321 11.179 -3.605 1.00 72.34 C ATOM 661 O LEU A 44 1.203 11.861 -3.084 1.00 30.13 O ATOM 662 CB LEU A 44 -0.487 9.297 -2.168 1.00 42.25 C ATOM 663 CG LEU A 44 0.437 9.337 -0.951 1.00 3.22 C ATOM 664 CD1 LEU A 44 -0.372 9.467 0.330 1.00 55.52 C ATOM 665 CD2 LEU A 44 1.314 8.094 -0.906 1.00 11.14 C ATOM 0 H LEU A 44 -2.514 9.624 -3.537 1.00 33.11 H new ATOM 0 HA LEU A 44 -1.055 11.361 -1.980 1.00 51.21 H new ATOM 0 HB2 LEU A 44 -1.410 8.792 -1.882 1.00 42.25 H new ATOM 0 HB3 LEU A 44 -0.015 8.687 -2.938 1.00 42.25 H new ATOM 0 HG LEU A 44 1.083 10.210 -1.038 1.00 3.22 H new ATOM 0 HD11 LEU A 44 0.303 9.494 1.185 1.00 55.52 H new ATOM 0 HD12 LEU A 44 -0.956 10.387 0.300 1.00 55.52 H new ATOM 0 HD13 LEU A 44 -1.044 8.614 0.424 1.00 55.52 H new ATOM 0 HD21 LEU A 44 1.965 8.140 -0.033 1.00 11.14 H new ATOM 0 HD22 LEU A 44 0.684 7.207 -0.843 1.00 11.14 H new ATOM 0 HD23 LEU A 44 1.921 8.044 -1.810 1.00 11.14 H new ATOM 677 N ARG A 45 0.320 10.860 -4.896 1.00 23.14 N ATOM 678 CA ARG A 45 1.381 11.303 -5.792 1.00 61.44 C ATOM 679 C ARG A 45 1.596 12.809 -5.679 1.00 31.03 C ATOM 680 O ARG A 45 2.707 13.270 -5.416 1.00 51.25 O ATOM 681 CB ARG A 45 1.044 10.932 -7.238 1.00 14.41 C ATOM 682 CG ARG A 45 2.246 10.470 -8.045 1.00 33.44 C ATOM 683 CD ARG A 45 1.936 10.431 -9.533 1.00 45.50 C ATOM 684 NE ARG A 45 3.067 10.884 -10.339 1.00 24.22 N ATOM 685 CZ ARG A 45 2.976 11.189 -11.628 1.00 74.14 C ATOM 686 NH1 ARG A 45 1.811 11.091 -12.255 1.00 23.20 N ATOM 687 NH2 ARG A 45 4.050 11.593 -12.294 1.00 0.52 N ATOM 0 H ARG A 45 -0.403 10.297 -5.344 1.00 23.14 H new ATOM 0 HA ARG A 45 2.303 10.800 -5.500 1.00 61.44 H new ATOM 0 HB2 ARG A 45 0.293 10.142 -7.236 1.00 14.41 H new ATOM 0 HB3 ARG A 45 0.597 11.795 -7.731 1.00 14.41 H new ATOM 0 HG2 ARG A 45 3.086 11.141 -7.865 1.00 33.44 H new ATOM 0 HG3 ARG A 45 2.552 9.479 -7.710 1.00 33.44 H new ATOM 0 HD2 ARG A 45 1.669 9.414 -9.821 1.00 45.50 H new ATOM 0 HD3 ARG A 45 1.069 11.059 -9.739 1.00 45.50 H new ATOM 0 HE ARG A 45 3.977 10.971 -9.886 1.00 24.22 H new ATOM 0 HH11 ARG A 45 0.983 10.781 -11.747 1.00 23.20 H new ATOM 0 HH12 ARG A 45 1.743 11.326 -13.245 1.00 23.20 H new ATOM 0 HH21 ARG A 45 4.948 11.670 -11.816 1.00 0.52 H new ATOM 0 HH22 ARG A 45 3.978 11.827 -13.284 1.00 0.52 H new ATOM 701 N PHE A 46 0.525 13.571 -5.878 1.00 64.22 N ATOM 702 CA PHE A 46 0.597 15.025 -5.800 1.00 13.23 C ATOM 703 C PHE A 46 0.403 15.502 -4.363 1.00 43.43 C ATOM 704 O PHE A 46 0.938 16.537 -3.964 1.00 73.43 O ATOM 705 CB PHE A 46 -0.461 15.659 -6.706 1.00 63.52 C ATOM 706 CG PHE A 46 0.025 15.919 -8.103 1.00 65.33 C ATOM 707 CD1 PHE A 46 -0.652 15.400 -9.195 1.00 14.32 C ATOM 708 CD2 PHE A 46 1.161 16.681 -8.325 1.00 52.50 C ATOM 709 CE1 PHE A 46 -0.208 15.638 -10.482 1.00 1.12 C ATOM 710 CE2 PHE A 46 1.610 16.923 -9.610 1.00 13.04 C ATOM 711 CZ PHE A 46 0.925 16.400 -10.689 1.00 63.33 C ATOM 0 H PHE A 46 -0.402 13.205 -6.094 1.00 64.22 H new ATOM 0 HA PHE A 46 1.586 15.334 -6.137 1.00 13.23 H new ATOM 0 HB2 PHE A 46 -1.331 15.004 -6.749 1.00 63.52 H new ATOM 0 HB3 PHE A 46 -0.791 16.599 -6.264 1.00 63.52 H new ATOM 0 HD1 PHE A 46 -1.538 14.802 -9.038 1.00 14.32 H new ATOM 0 HD2 PHE A 46 1.702 17.090 -7.485 1.00 52.50 H new ATOM 0 HE1 PHE A 46 -0.746 15.229 -11.324 1.00 1.12 H new ATOM 0 HE2 PHE A 46 2.495 17.520 -9.770 1.00 13.04 H new ATOM 0 HZ PHE A 46 1.275 16.587 -11.694 1.00 63.33 H new ATOM 721 N ALA A 47 -0.365 14.741 -3.592 1.00 34.14 N ATOM 722 CA ALA A 47 -0.629 15.084 -2.200 1.00 2.23 C ATOM 723 C ALA A 47 0.659 15.093 -1.383 1.00 41.23 C ATOM 724 O ALA A 47 0.796 15.860 -0.431 1.00 12.23 O ATOM 725 CB ALA A 47 -1.631 14.111 -1.597 1.00 13.32 C ATOM 0 H ALA A 47 -0.816 13.882 -3.907 1.00 34.14 H new ATOM 0 HA ALA A 47 -1.053 16.088 -2.174 1.00 2.23 H new ATOM 0 HB1 ALA A 47 -1.818 14.379 -0.557 1.00 13.32 H new ATOM 0 HB2 ALA A 47 -2.565 14.156 -2.157 1.00 13.32 H new ATOM 0 HB3 ALA A 47 -1.229 13.099 -1.644 1.00 13.32 H new ATOM 731 N ALA A 48 1.601 14.235 -1.762 1.00 53.35 N ATOM 732 CA ALA A 48 2.878 14.146 -1.066 1.00 30.10 C ATOM 733 C ALA A 48 3.600 15.489 -1.069 1.00 61.00 C ATOM 734 O ALA A 48 4.379 15.787 -0.164 1.00 60.42 O ATOM 735 CB ALA A 48 3.751 13.074 -1.700 1.00 61.54 C ATOM 0 H ALA A 48 1.503 13.592 -2.548 1.00 53.35 H new ATOM 0 HA ALA A 48 2.680 13.872 -0.030 1.00 30.10 H new ATOM 0 HB1 ALA A 48 4.702 13.019 -1.170 1.00 61.54 H new ATOM 0 HB2 ALA A 48 3.245 12.110 -1.640 1.00 61.54 H new ATOM 0 HB3 ALA A 48 3.932 13.324 -2.745 1.00 61.54 H new ATOM 741 N GLU A 49 3.336 16.295 -2.093 1.00 3.34 N ATOM 742 CA GLU A 49 3.963 17.606 -2.213 1.00 4.22 C ATOM 743 C GLU A 49 3.247 18.634 -1.342 1.00 54.10 C ATOM 744 O GLU A 49 3.874 19.530 -0.779 1.00 11.41 O ATOM 745 CB GLU A 49 3.959 18.066 -3.672 1.00 43.31 C ATOM 746 CG GLU A 49 4.350 16.976 -4.655 1.00 71.42 C ATOM 747 CD GLU A 49 5.118 17.512 -5.848 1.00 14.55 C ATOM 748 OE1 GLU A 49 4.485 18.128 -6.731 1.00 42.21 O ATOM 749 OE2 GLU A 49 6.350 17.317 -5.897 1.00 72.04 O ATOM 0 H GLU A 49 2.693 16.063 -2.850 1.00 3.34 H new ATOM 0 HA GLU A 49 4.994 17.520 -1.869 1.00 4.22 H new ATOM 0 HB2 GLU A 49 2.964 18.433 -3.926 1.00 43.31 H new ATOM 0 HB3 GLU A 49 4.646 18.905 -3.781 1.00 43.31 H new ATOM 0 HG2 GLU A 49 4.958 16.231 -4.142 1.00 71.42 H new ATOM 0 HG3 GLU A 49 3.451 16.468 -5.005 1.00 71.42 H new ATOM 756 N GLU A 50 1.928 18.496 -1.238 1.00 4.52 N ATOM 757 CA GLU A 50 1.126 19.414 -0.437 1.00 62.11 C ATOM 758 C GLU A 50 1.580 19.403 1.020 1.00 54.51 C ATOM 759 O GLU A 50 1.709 20.454 1.649 1.00 30.21 O ATOM 760 CB GLU A 50 -0.355 19.041 -0.524 1.00 71.34 C ATOM 761 CG GLU A 50 -0.960 19.270 -1.899 1.00 75.21 C ATOM 762 CD GLU A 50 -2.125 18.342 -2.186 1.00 13.24 C ATOM 763 OE1 GLU A 50 -2.997 18.195 -1.303 1.00 3.11 O ATOM 764 OE2 GLU A 50 -2.166 17.763 -3.291 1.00 43.42 O ATOM 0 H GLU A 50 1.393 17.759 -1.698 1.00 4.52 H new ATOM 0 HA GLU A 50 1.264 20.419 -0.835 1.00 62.11 H new ATOM 0 HB2 GLU A 50 -0.473 17.992 -0.254 1.00 71.34 H new ATOM 0 HB3 GLU A 50 -0.912 19.623 0.210 1.00 71.34 H new ATOM 0 HG2 GLU A 50 -1.296 20.304 -1.976 1.00 75.21 H new ATOM 0 HG3 GLU A 50 -0.191 19.127 -2.658 1.00 75.21 H new ATOM 771 N PHE A 51 1.819 18.209 1.550 1.00 31.34 N ATOM 772 CA PHE A 51 2.256 18.060 2.934 1.00 43.15 C ATOM 773 C PHE A 51 3.776 17.952 3.015 1.00 42.32 C ATOM 774 O PHE A 51 4.373 18.211 4.059 1.00 11.20 O ATOM 775 CB PHE A 51 1.612 16.824 3.564 1.00 14.25 C ATOM 776 CG PHE A 51 0.763 17.137 4.764 1.00 61.23 C ATOM 777 CD1 PHE A 51 -0.618 17.173 4.661 1.00 31.54 C ATOM 778 CD2 PHE A 51 1.347 17.396 5.993 1.00 31.44 C ATOM 779 CE1 PHE A 51 -1.402 17.460 5.763 1.00 20.41 C ATOM 780 CE2 PHE A 51 0.568 17.683 7.099 1.00 63.24 C ATOM 781 CZ PHE A 51 -0.808 17.716 6.983 1.00 3.01 C ATOM 0 H PHE A 51 1.718 17.330 1.043 1.00 31.34 H new ATOM 0 HA PHE A 51 1.942 18.946 3.486 1.00 43.15 H new ATOM 0 HB2 PHE A 51 0.999 16.322 2.816 1.00 14.25 H new ATOM 0 HB3 PHE A 51 2.395 16.124 3.855 1.00 14.25 H new ATOM 0 HD1 PHE A 51 -1.088 16.975 3.709 1.00 31.54 H new ATOM 0 HD2 PHE A 51 2.423 17.374 6.089 1.00 31.44 H new ATOM 0 HE1 PHE A 51 -2.478 17.484 5.670 1.00 20.41 H new ATOM 0 HE2 PHE A 51 1.035 17.881 8.052 1.00 63.24 H new ATOM 0 HZ PHE A 51 -1.418 17.942 7.845 1.00 3.01 H new ATOM 791 N GLY A 52 4.397 17.567 1.904 1.00 54.25 N ATOM 792 CA GLY A 52 5.841 17.431 1.870 1.00 60.14 C ATOM 793 C GLY A 52 6.338 16.306 2.755 1.00 21.33 C ATOM 794 O GLY A 52 7.536 16.196 3.017 1.00 44.12 O ATOM 0 H GLY A 52 3.925 17.347 1.027 1.00 54.25 H new ATOM 0 HA2 GLY A 52 6.162 17.251 0.844 1.00 60.14 H new ATOM 0 HA3 GLY A 52 6.299 18.368 2.187 1.00 60.14 H new ATOM 798 N ILE A 53 5.416 15.469 3.219 1.00 23.14 N ATOM 799 CA ILE A 53 5.768 14.347 4.081 1.00 0.44 C ATOM 800 C ILE A 53 4.821 13.172 3.868 1.00 74.30 C ATOM 801 O ILE A 53 3.976 13.197 2.973 1.00 20.43 O ATOM 802 CB ILE A 53 5.742 14.750 5.568 1.00 71.12 C ATOM 803 CG1 ILE A 53 4.314 15.087 6.002 1.00 2.42 C ATOM 804 CG2 ILE A 53 6.669 15.931 5.813 1.00 22.21 C ATOM 805 CD1 ILE A 53 4.191 15.411 7.475 1.00 62.32 C ATOM 0 H ILE A 53 4.420 15.546 3.013 1.00 23.14 H new ATOM 0 HA ILE A 53 6.781 14.048 3.811 1.00 0.44 H new ATOM 0 HB ILE A 53 6.094 13.908 6.164 1.00 71.12 H new ATOM 0 HG12 ILE A 53 3.957 15.937 5.420 1.00 2.42 H new ATOM 0 HG13 ILE A 53 3.663 14.244 5.768 1.00 2.42 H new ATOM 0 HG21 ILE A 53 6.640 16.204 6.868 1.00 22.21 H new ATOM 0 HG22 ILE A 53 7.687 15.657 5.537 1.00 22.21 H new ATOM 0 HG23 ILE A 53 6.345 16.779 5.210 1.00 22.21 H new ATOM 0 HD11 ILE A 53 3.152 15.640 7.712 1.00 62.32 H new ATOM 0 HD12 ILE A 53 4.517 14.554 8.064 1.00 62.32 H new ATOM 0 HD13 ILE A 53 4.815 16.273 7.711 1.00 62.32 H new ATOM 817 N ALA A 54 4.966 12.143 4.697 1.00 1.53 N ATOM 818 CA ALA A 54 4.121 10.960 4.602 1.00 31.21 C ATOM 819 C ALA A 54 3.896 10.334 5.974 1.00 23.23 C ATOM 820 O ALA A 54 4.632 9.437 6.386 1.00 5.42 O ATOM 821 CB ALA A 54 4.739 9.945 3.652 1.00 71.03 C ATOM 0 H ALA A 54 5.661 12.106 5.442 1.00 1.53 H new ATOM 0 HA ALA A 54 3.152 11.267 4.208 1.00 31.21 H new ATOM 0 HB1 ALA A 54 4.097 9.066 3.591 1.00 71.03 H new ATOM 0 HB2 ALA A 54 4.842 10.389 2.662 1.00 71.03 H new ATOM 0 HB3 ALA A 54 5.721 9.652 4.022 1.00 71.03 H new ATOM 827 N SER A 55 2.875 10.812 6.678 1.00 3.41 N ATOM 828 CA SER A 55 2.557 10.302 8.007 1.00 52.45 C ATOM 829 C SER A 55 1.335 11.012 8.582 1.00 34.40 C ATOM 830 O SER A 55 0.238 10.453 8.619 1.00 23.21 O ATOM 831 CB SER A 55 3.752 10.480 8.944 1.00 3.24 C ATOM 832 OG SER A 55 4.481 9.272 9.076 1.00 44.11 O ATOM 0 H SER A 55 2.254 11.552 6.350 1.00 3.41 H new ATOM 0 HA SER A 55 2.330 9.240 7.917 1.00 52.45 H new ATOM 0 HB2 SER A 55 4.406 11.263 8.560 1.00 3.24 H new ATOM 0 HB3 SER A 55 3.404 10.807 9.924 1.00 3.24 H new ATOM 0 HG SER A 55 4.755 8.957 8.190 1.00 44.11 H new ATOM 838 N VAL A 56 1.532 12.247 9.031 1.00 50.23 N ATOM 839 CA VAL A 56 0.447 13.035 9.604 1.00 61.12 C ATOM 840 C VAL A 56 -0.559 13.445 8.534 1.00 5.40 C ATOM 841 O VAL A 56 -1.727 13.695 8.829 1.00 13.44 O ATOM 842 CB VAL A 56 0.980 14.299 10.304 1.00 43.13 C ATOM 843 CG1 VAL A 56 2.021 13.931 11.350 1.00 3.51 C ATOM 844 CG2 VAL A 56 1.557 15.269 9.284 1.00 43.04 C ATOM 0 H VAL A 56 2.433 12.724 9.009 1.00 50.23 H new ATOM 0 HA VAL A 56 -0.048 12.403 10.341 1.00 61.12 H new ATOM 0 HB VAL A 56 0.149 14.791 10.810 1.00 43.13 H new ATOM 0 HG11 VAL A 56 2.386 14.837 11.834 1.00 3.51 H new ATOM 0 HG12 VAL A 56 1.571 13.277 12.097 1.00 3.51 H new ATOM 0 HG13 VAL A 56 2.853 13.416 10.870 1.00 3.51 H new ATOM 0 HG21 VAL A 56 1.929 16.157 9.796 1.00 43.04 H new ATOM 0 HG22 VAL A 56 2.376 14.789 8.748 1.00 43.04 H new ATOM 0 HG23 VAL A 56 0.780 15.557 8.576 1.00 43.04 H new ATOM 854 N ASP A 57 -0.097 13.512 7.290 1.00 4.34 N ATOM 855 CA ASP A 57 -0.956 13.891 6.175 1.00 50.02 C ATOM 856 C ASP A 57 -2.071 12.869 5.977 1.00 51.05 C ATOM 857 O ASP A 57 -3.059 13.138 5.293 1.00 1.01 O ATOM 858 CB ASP A 57 -0.134 14.023 4.892 1.00 70.23 C ATOM 859 CG ASP A 57 0.186 12.678 4.269 1.00 44.32 C ATOM 860 OD1 ASP A 57 -0.312 12.406 3.156 1.00 23.32 O ATOM 861 OD2 ASP A 57 0.936 11.899 4.893 1.00 12.03 O ATOM 0 H ASP A 57 0.868 13.309 7.029 1.00 4.34 H new ATOM 0 HA ASP A 57 -1.408 14.855 6.408 1.00 50.02 H new ATOM 0 HB2 ASP A 57 -0.683 14.632 4.173 1.00 70.23 H new ATOM 0 HB3 ASP A 57 0.795 14.549 5.112 1.00 70.23 H new ATOM 866 N SER A 58 -1.905 11.695 6.578 1.00 50.31 N ATOM 867 CA SER A 58 -2.895 10.631 6.463 1.00 31.15 C ATOM 868 C SER A 58 -4.245 11.084 7.011 1.00 31.53 C ATOM 869 O SER A 58 -5.296 10.649 6.540 1.00 64.01 O ATOM 870 CB SER A 58 -2.421 9.383 7.210 1.00 34.54 C ATOM 871 OG SER A 58 -1.317 8.784 6.554 1.00 11.04 O ATOM 0 H SER A 58 -1.094 11.457 7.149 1.00 50.31 H new ATOM 0 HA SER A 58 -3.014 10.390 5.407 1.00 31.15 H new ATOM 0 HB2 SER A 58 -2.141 9.650 8.229 1.00 34.54 H new ATOM 0 HB3 SER A 58 -3.239 8.666 7.281 1.00 34.54 H new ATOM 0 HG SER A 58 -0.484 9.083 6.975 1.00 11.04 H new ATOM 877 N MET A 59 -4.208 11.959 8.010 1.00 3.50 N ATOM 878 CA MET A 59 -5.428 12.473 8.622 1.00 21.40 C ATOM 879 C MET A 59 -5.184 13.836 9.261 1.00 41.00 C ATOM 880 O MET A 59 -5.018 13.942 10.476 1.00 73.22 O ATOM 881 CB MET A 59 -5.949 11.490 9.673 1.00 52.15 C ATOM 882 CG MET A 59 -7.258 11.923 10.313 1.00 21.01 C ATOM 883 SD MET A 59 -8.010 10.620 11.307 1.00 65.43 S ATOM 884 CE MET A 59 -7.664 11.213 12.961 1.00 55.30 C ATOM 0 H MET A 59 -3.346 12.327 8.413 1.00 3.50 H new ATOM 0 HA MET A 59 -6.177 12.588 7.839 1.00 21.40 H new ATOM 0 HB2 MET A 59 -6.086 10.513 9.209 1.00 52.15 H new ATOM 0 HB3 MET A 59 -5.196 11.370 10.451 1.00 52.15 H new ATOM 0 HG2 MET A 59 -7.080 12.796 10.941 1.00 21.01 H new ATOM 0 HG3 MET A 59 -7.956 12.228 9.533 1.00 21.01 H new ATOM 0 HE1 MET A 59 -8.068 10.512 13.691 1.00 55.30 H new ATOM 0 HE2 MET A 59 -6.586 11.299 13.099 1.00 55.30 H new ATOM 0 HE3 MET A 59 -8.127 12.190 13.101 1.00 55.30 H new ATOM 894 N ALA A 60 -5.163 14.877 8.434 1.00 24.45 N ATOM 895 CA ALA A 60 -4.940 16.233 8.920 1.00 55.04 C ATOM 896 C ALA A 60 -5.675 17.252 8.055 1.00 2.33 C ATOM 897 O ALA A 60 -5.055 18.001 7.300 1.00 33.11 O ATOM 898 CB ALA A 60 -3.451 16.544 8.955 1.00 34.52 C ATOM 0 H ALA A 60 -5.298 14.807 7.425 1.00 24.45 H new ATOM 0 HA ALA A 60 -5.337 16.300 9.933 1.00 55.04 H new ATOM 0 HB1 ALA A 60 -3.300 17.560 9.320 1.00 34.52 H new ATOM 0 HB2 ALA A 60 -2.948 15.841 9.619 1.00 34.52 H new ATOM 0 HB3 ALA A 60 -3.037 16.454 7.951 1.00 34.52 H new ATOM 904 N ALA A 61 -6.999 17.275 8.171 1.00 44.01 N ATOM 905 CA ALA A 61 -7.817 18.203 7.401 1.00 41.52 C ATOM 906 C ALA A 61 -9.229 18.292 7.969 1.00 0.55 C ATOM 907 O ALA A 61 -9.717 17.353 8.600 1.00 43.44 O ATOM 908 CB ALA A 61 -7.860 17.782 5.939 1.00 1.05 C ATOM 0 H ALA A 61 -7.528 16.661 8.791 1.00 44.01 H new ATOM 0 HA ALA A 61 -7.363 19.191 7.470 1.00 41.52 H new ATOM 0 HB1 ALA A 61 -8.475 18.484 5.376 1.00 1.05 H new ATOM 0 HB2 ALA A 61 -6.849 17.777 5.532 1.00 1.05 H new ATOM 0 HB3 ALA A 61 -8.287 16.782 5.861 1.00 1.05 H new ATOM 914 N THR A 62 -9.882 19.428 7.744 1.00 14.21 N ATOM 915 CA THR A 62 -11.238 19.641 8.236 1.00 62.44 C ATOM 916 C THR A 62 -12.153 20.142 7.125 1.00 52.23 C ATOM 917 O THR A 62 -11.732 20.907 6.256 1.00 13.44 O ATOM 918 CB THR A 62 -11.262 20.649 9.400 1.00 42.24 C ATOM 919 OG1 THR A 62 -10.441 21.779 9.085 1.00 4.44 O ATOM 920 CG2 THR A 62 -10.772 20.002 10.686 1.00 11.24 C ATOM 0 H THR A 62 -9.494 20.215 7.224 1.00 14.21 H new ATOM 0 HA THR A 62 -11.600 18.677 8.594 1.00 62.44 H new ATOM 0 HB THR A 62 -12.291 20.977 9.547 1.00 42.24 H new ATOM 0 HG1 THR A 62 -10.462 22.417 9.829 1.00 4.44 H new ATOM 0 HG21 THR A 62 -10.798 20.733 11.494 1.00 11.24 H new ATOM 0 HG22 THR A 62 -11.416 19.160 10.938 1.00 11.24 H new ATOM 0 HG23 THR A 62 -9.750 19.649 10.549 1.00 11.24 H new ATOM 928 N THR A 63 -13.409 19.707 7.157 1.00 12.22 N ATOM 929 CA THR A 63 -14.384 20.112 6.153 1.00 74.13 C ATOM 930 C THR A 63 -14.994 21.467 6.493 1.00 73.11 C ATOM 931 O THR A 63 -14.904 21.932 7.629 1.00 13.42 O ATOM 932 CB THR A 63 -15.514 19.073 6.016 1.00 43.34 C ATOM 933 OG1 THR A 63 -15.031 17.774 6.377 1.00 13.42 O ATOM 934 CG2 THR A 63 -16.051 19.042 4.593 1.00 44.34 C ATOM 0 H THR A 63 -13.775 19.074 7.868 1.00 12.22 H new ATOM 0 HA THR A 63 -13.850 20.185 5.206 1.00 74.13 H new ATOM 0 HB THR A 63 -16.324 19.359 6.687 1.00 43.34 H new ATOM 0 HG1 THR A 63 -14.424 17.446 5.681 1.00 13.42 H new ATOM 0 HG21 THR A 63 -16.847 18.301 4.521 1.00 44.34 H new ATOM 0 HG22 THR A 63 -16.444 20.024 4.331 1.00 44.34 H new ATOM 0 HG23 THR A 63 -15.247 18.778 3.906 1.00 44.34 H new ATOM 942 N LYS A 64 -15.616 22.096 5.502 1.00 40.34 N ATOM 943 CA LYS A 64 -16.243 23.398 5.696 1.00 54.14 C ATOM 944 C LYS A 64 -17.399 23.303 6.687 1.00 71.15 C ATOM 945 O LYS A 64 -17.751 24.285 7.340 1.00 31.13 O ATOM 946 CB LYS A 64 -16.747 23.948 4.359 1.00 14.54 C ATOM 947 CG LYS A 64 -15.733 23.837 3.234 1.00 11.03 C ATOM 948 CD LYS A 64 -15.473 25.185 2.583 1.00 64.21 C ATOM 949 CE LYS A 64 -14.224 25.845 3.148 1.00 15.23 C ATOM 950 NZ LYS A 64 -14.516 27.194 3.709 1.00 61.33 N ATOM 0 H LYS A 64 -15.699 21.725 4.556 1.00 40.34 H new ATOM 0 HA LYS A 64 -15.494 24.078 6.103 1.00 54.14 H new ATOM 0 HB2 LYS A 64 -17.653 23.413 4.074 1.00 14.54 H new ATOM 0 HB3 LYS A 64 -17.022 24.995 4.487 1.00 14.54 H new ATOM 0 HG2 LYS A 64 -14.798 23.434 3.624 1.00 11.03 H new ATOM 0 HG3 LYS A 64 -16.095 23.134 2.484 1.00 11.03 H new ATOM 0 HD2 LYS A 64 -15.362 25.055 1.506 1.00 64.21 H new ATOM 0 HD3 LYS A 64 -16.332 25.837 2.738 1.00 64.21 H new ATOM 0 HE2 LYS A 64 -13.799 25.212 3.927 1.00 15.23 H new ATOM 0 HE3 LYS A 64 -13.473 25.933 2.363 1.00 15.23 H new ATOM 0 HZ1 LYS A 64 -13.640 27.611 4.084 1.00 61.33 H new ATOM 0 HZ2 LYS A 64 -14.898 27.806 2.960 1.00 61.33 H new ATOM 0 HZ3 LYS A 64 -15.214 27.108 4.475 1.00 61.33 H new ATOM 964 N ASP A 65 -17.984 22.115 6.793 1.00 12.15 N ATOM 965 CA ASP A 65 -19.099 21.891 7.707 1.00 3.20 C ATOM 966 C ASP A 65 -18.608 21.784 9.147 1.00 25.43 C ATOM 967 O ASP A 65 -19.365 22.006 10.091 1.00 73.05 O ATOM 968 CB ASP A 65 -19.858 20.622 7.318 1.00 61.22 C ATOM 969 CG ASP A 65 -21.361 20.813 7.351 1.00 54.42 C ATOM 970 OD1 ASP A 65 -22.025 20.475 6.348 1.00 12.32 O ATOM 971 OD2 ASP A 65 -21.875 21.301 8.380 1.00 65.44 O ATOM 0 H ASP A 65 -17.705 21.293 6.258 1.00 12.15 H new ATOM 0 HA ASP A 65 -19.773 22.744 7.635 1.00 3.20 H new ATOM 0 HB2 ASP A 65 -19.556 20.314 6.317 1.00 61.22 H new ATOM 0 HB3 ASP A 65 -19.582 19.815 7.997 1.00 61.22 H new ATOM 976 N GLY A 66 -17.333 21.440 9.309 1.00 73.53 N ATOM 977 CA GLY A 66 -16.763 21.307 10.637 1.00 52.03 C ATOM 978 C GLY A 66 -15.572 20.370 10.665 1.00 0.14 C ATOM 979 O GLY A 66 -14.475 20.733 10.239 1.00 54.53 O ATOM 0 H GLY A 66 -16.685 21.251 8.544 1.00 73.53 H new ATOM 0 HA2 GLY A 66 -16.457 22.289 10.998 1.00 52.03 H new ATOM 0 HA3 GLY A 66 -17.527 20.939 11.322 1.00 52.03 H new ATOM 983 N THR A 67 -15.785 19.159 11.172 1.00 52.43 N ATOM 984 CA THR A 67 -14.720 18.168 11.257 1.00 11.44 C ATOM 985 C THR A 67 -14.528 17.451 9.926 1.00 34.44 C ATOM 986 O THR A 67 -15.487 17.219 9.191 1.00 32.43 O ATOM 987 CB THR A 67 -15.010 17.125 12.353 1.00 11.31 C ATOM 988 OG1 THR A 67 -16.188 16.381 12.022 1.00 42.14 O ATOM 989 CG2 THR A 67 -15.193 17.797 13.705 1.00 2.55 C ATOM 0 H THR A 67 -16.686 18.842 11.530 1.00 52.43 H new ATOM 0 HA THR A 67 -13.807 18.706 11.511 1.00 11.44 H new ATOM 0 HB THR A 67 -14.158 16.448 12.414 1.00 11.31 H new ATOM 0 HG1 THR A 67 -16.364 15.719 12.723 1.00 42.14 H new ATOM 0 HG21 THR A 67 -15.397 17.040 14.463 1.00 2.55 H new ATOM 0 HG22 THR A 67 -14.284 18.339 13.968 1.00 2.55 H new ATOM 0 HG23 THR A 67 -16.029 18.494 13.655 1.00 2.55 H new ATOM 997 N GLY A 68 -13.282 17.100 9.622 1.00 13.11 N ATOM 998 CA GLY A 68 -12.988 16.411 8.379 1.00 10.31 C ATOM 999 C GLY A 68 -12.256 15.103 8.601 1.00 65.22 C ATOM 1000 O GLY A 68 -11.033 15.038 8.466 1.00 32.23 O ATOM 0 H GLY A 68 -12.471 17.280 10.214 1.00 13.11 H new ATOM 0 HA2 GLY A 68 -13.919 16.217 7.846 1.00 10.31 H new ATOM 0 HA3 GLY A 68 -12.385 17.058 7.742 1.00 10.31 H new ATOM 1004 N ILE A 69 -13.003 14.059 8.943 1.00 61.23 N ATOM 1005 CA ILE A 69 -12.416 12.746 9.184 1.00 14.40 C ATOM 1006 C ILE A 69 -12.146 12.016 7.873 1.00 31.42 C ATOM 1007 O ILE A 69 -13.046 11.837 7.054 1.00 60.52 O ATOM 1008 CB ILE A 69 -13.330 11.875 10.066 1.00 72.13 C ATOM 1009 CG1 ILE A 69 -13.525 12.526 11.437 1.00 64.24 C ATOM 1010 CG2 ILE A 69 -12.747 10.478 10.215 1.00 63.24 C ATOM 1011 CD1 ILE A 69 -14.893 13.142 11.625 1.00 74.54 C ATOM 0 H ILE A 69 -14.016 14.096 9.060 1.00 61.23 H new ATOM 0 HA ILE A 69 -11.473 12.912 9.705 1.00 14.40 H new ATOM 0 HB ILE A 69 -14.304 11.792 9.583 1.00 72.13 H new ATOM 0 HG12 ILE A 69 -13.363 11.777 12.212 1.00 64.24 H new ATOM 0 HG13 ILE A 69 -12.767 13.297 11.575 1.00 64.24 H new ATOM 0 HG21 ILE A 69 -13.404 9.874 10.841 1.00 63.24 H new ATOM 0 HG22 ILE A 69 -12.656 10.015 9.232 1.00 63.24 H new ATOM 0 HG23 ILE A 69 -11.763 10.542 10.679 1.00 63.24 H new ATOM 0 HD11 ILE A 69 -14.959 13.584 12.619 1.00 74.54 H new ATOM 0 HD12 ILE A 69 -15.051 13.915 10.873 1.00 74.54 H new ATOM 0 HD13 ILE A 69 -15.657 12.371 11.519 1.00 74.54 H new ATOM 1023 N ASN A 70 -10.900 11.594 7.683 1.00 10.11 N ATOM 1024 CA ASN A 70 -10.511 10.881 6.472 1.00 22.10 C ATOM 1025 C ASN A 70 -10.226 9.413 6.773 1.00 23.32 C ATOM 1026 O ASN A 70 -9.078 8.999 6.942 1.00 53.32 O ATOM 1027 CB ASN A 70 -9.277 11.533 5.845 1.00 11.51 C ATOM 1028 CG ASN A 70 -9.617 12.345 4.610 1.00 1.10 C ATOM 1029 OD1 ASN A 70 -9.221 13.504 4.487 1.00 12.42 O ATOM 1030 ND2 ASN A 70 -10.354 11.738 3.688 1.00 73.24 N ATOM 0 H ASN A 70 -10.143 11.733 8.352 1.00 10.11 H new ATOM 0 HA ASN A 70 -11.340 10.935 5.767 1.00 22.10 H new ATOM 0 HB2 ASN A 70 -8.797 12.179 6.580 1.00 11.51 H new ATOM 0 HB3 ASN A 70 -8.555 10.760 5.581 1.00 11.51 H new ATOM 0 HD21 ASN A 70 -10.614 12.234 2.835 1.00 73.24 H new ATOM 0 HD22 ASN A 70 -10.660 10.776 3.832 1.00 73.24 H new ATOM 1037 N PRO A 71 -11.294 8.605 6.842 1.00 20.51 N ATOM 1038 CA PRO A 71 -11.184 7.170 7.122 1.00 74.32 C ATOM 1039 C PRO A 71 -10.554 6.400 5.966 1.00 53.31 C ATOM 1040 O PRO A 71 -9.626 5.617 6.162 1.00 3.04 O ATOM 1041 CB PRO A 71 -12.638 6.736 7.324 1.00 74.34 C ATOM 1042 CG PRO A 71 -13.440 7.729 6.556 1.00 73.14 C ATOM 1043 CD PRO A 71 -12.691 9.029 6.652 1.00 51.24 C ATOM 0 HA PRO A 71 -10.542 6.970 7.980 1.00 74.32 H new ATOM 0 HB2 PRO A 71 -12.804 5.724 6.956 1.00 74.34 H new ATOM 0 HB3 PRO A 71 -12.909 6.740 8.380 1.00 74.34 H new ATOM 0 HG2 PRO A 71 -13.553 7.420 5.517 1.00 73.14 H new ATOM 0 HG3 PRO A 71 -14.443 7.825 6.971 1.00 73.14 H new ATOM 0 HD2 PRO A 71 -12.810 9.629 5.750 1.00 51.24 H new ATOM 0 HD3 PRO A 71 -13.044 9.635 7.486 1.00 51.24 H new ATOM 1051 N ALA A 72 -11.065 6.629 4.761 1.00 51.15 N ATOM 1052 CA ALA A 72 -10.550 5.959 3.573 1.00 52.01 C ATOM 1053 C ALA A 72 -10.012 6.967 2.563 1.00 11.45 C ATOM 1054 O ALA A 72 -9.111 6.658 1.784 1.00 34.21 O ATOM 1055 CB ALA A 72 -11.635 5.102 2.938 1.00 34.13 C ATOM 0 H ALA A 72 -11.835 7.273 4.582 1.00 51.15 H new ATOM 0 HA ALA A 72 -9.725 5.315 3.879 1.00 52.01 H new ATOM 0 HB1 ALA A 72 -11.236 4.608 2.052 1.00 34.13 H new ATOM 0 HB2 ALA A 72 -11.970 4.351 3.653 1.00 34.13 H new ATOM 0 HB3 ALA A 72 -12.477 5.733 2.653 1.00 34.13 H new ATOM 1061 N GLN A 73 -10.570 8.173 2.584 1.00 54.45 N ATOM 1062 CA GLN A 73 -10.146 9.226 1.668 1.00 14.22 C ATOM 1063 C GLN A 73 -10.392 8.819 0.219 1.00 2.11 C ATOM 1064 O GLN A 73 -9.826 9.403 -0.706 1.00 12.10 O ATOM 1065 CB GLN A 73 -8.665 9.546 1.877 1.00 52.44 C ATOM 1066 CG GLN A 73 -8.216 9.431 3.324 1.00 24.41 C ATOM 1067 CD GLN A 73 -7.044 10.337 3.645 1.00 24.14 C ATOM 1068 OE1 GLN A 73 -7.147 11.561 3.556 1.00 74.41 O ATOM 1069 NE2 GLN A 73 -5.919 9.740 4.023 1.00 71.35 N ATOM 0 H GLN A 73 -11.316 8.445 3.224 1.00 54.45 H new ATOM 0 HA GLN A 73 -10.736 10.117 1.880 1.00 14.22 H new ATOM 0 HB2 GLN A 73 -8.066 8.871 1.265 1.00 52.44 H new ATOM 0 HB3 GLN A 73 -8.467 10.558 1.523 1.00 52.44 H new ATOM 0 HG2 GLN A 73 -9.051 9.677 3.980 1.00 24.41 H new ATOM 0 HG3 GLN A 73 -7.940 8.398 3.534 1.00 24.41 H new ATOM 0 HE21 GLN A 73 -5.877 8.723 4.083 1.00 71.35 H new ATOM 0 HE22 GLN A 73 -5.097 10.299 4.253 1.00 71.35 H new ATOM 1078 N THR A 74 -11.239 7.813 0.028 1.00 71.45 N ATOM 1079 CA THR A 74 -11.558 7.326 -1.309 1.00 13.04 C ATOM 1080 C THR A 74 -12.410 8.334 -2.072 1.00 34.33 C ATOM 1081 O THR A 74 -13.007 9.231 -1.478 1.00 54.33 O ATOM 1082 CB THR A 74 -12.303 5.979 -1.253 1.00 32.11 C ATOM 1083 OG1 THR A 74 -11.845 5.212 -0.134 1.00 32.21 O ATOM 1084 CG2 THR A 74 -12.091 5.190 -2.536 1.00 72.20 C ATOM 0 H THR A 74 -11.717 7.319 0.782 1.00 71.45 H new ATOM 0 HA THR A 74 -10.611 7.187 -1.830 1.00 13.04 H new ATOM 0 HB THR A 74 -13.368 6.182 -1.142 1.00 32.11 H new ATOM 0 HG1 THR A 74 -12.325 4.358 -0.104 1.00 32.21 H new ATOM 0 HG21 THR A 74 -12.626 4.243 -2.473 1.00 72.20 H new ATOM 0 HG22 THR A 74 -12.467 5.764 -3.383 1.00 72.20 H new ATOM 0 HG23 THR A 74 -11.027 4.997 -2.673 1.00 72.20 H new ATOM 1092 N ALA A 75 -12.463 8.179 -3.391 1.00 22.34 N ATOM 1093 CA ALA A 75 -13.245 9.074 -4.234 1.00 65.05 C ATOM 1094 C ALA A 75 -14.725 9.017 -3.872 1.00 63.33 C ATOM 1095 O ALA A 75 -15.389 10.047 -3.768 1.00 43.23 O ATOM 1096 CB ALA A 75 -13.044 8.725 -5.702 1.00 34.02 C ATOM 0 H ALA A 75 -11.974 7.442 -3.898 1.00 22.34 H new ATOM 0 HA ALA A 75 -12.896 10.092 -4.062 1.00 65.05 H new ATOM 0 HB1 ALA A 75 -13.634 9.401 -6.321 1.00 34.02 H new ATOM 0 HB2 ALA A 75 -11.989 8.825 -5.959 1.00 34.02 H new ATOM 0 HB3 ALA A 75 -13.365 7.698 -5.879 1.00 34.02 H new ATOM 1102 N GLY A 76 -15.236 7.804 -3.682 1.00 13.32 N ATOM 1103 CA GLY A 76 -16.635 7.636 -3.334 1.00 72.31 C ATOM 1104 C GLY A 76 -16.961 8.183 -1.958 1.00 63.45 C ATOM 1105 O GLY A 76 -18.021 8.771 -1.752 1.00 51.23 O ATOM 0 H GLY A 76 -14.707 6.936 -3.763 1.00 13.32 H new ATOM 0 HA2 GLY A 76 -17.254 8.139 -4.077 1.00 72.31 H new ATOM 0 HA3 GLY A 76 -16.890 6.577 -3.370 1.00 72.31 H new ATOM 1109 N ASN A 77 -16.047 7.987 -1.014 1.00 24.52 N ATOM 1110 CA ASN A 77 -16.243 8.463 0.351 1.00 70.24 C ATOM 1111 C ASN A 77 -16.098 9.980 0.423 1.00 31.23 C ATOM 1112 O ASN A 77 -17.026 10.685 0.821 1.00 22.42 O ATOM 1113 CB ASN A 77 -15.239 7.798 1.295 1.00 75.54 C ATOM 1114 CG ASN A 77 -15.894 6.782 2.212 1.00 43.24 C ATOM 1115 OD1 ASN A 77 -16.827 6.083 1.817 1.00 50.33 O ATOM 1116 ND2 ASN A 77 -15.405 6.697 3.444 1.00 75.14 N ATOM 0 H ASN A 77 -15.163 7.502 -1.169 1.00 24.52 H new ATOM 0 HA ASN A 77 -17.253 8.197 0.661 1.00 70.24 H new ATOM 0 HB2 ASN A 77 -14.463 7.307 0.708 1.00 75.54 H new ATOM 0 HB3 ASN A 77 -14.748 8.563 1.896 1.00 75.54 H new ATOM 0 HD21 ASN A 77 -15.804 6.032 4.106 1.00 75.14 H new ATOM 0 HD22 ASN A 77 -14.630 7.297 3.728 1.00 75.14 H new ATOM 1123 N VAL A 78 -14.928 10.476 0.036 1.00 44.44 N ATOM 1124 CA VAL A 78 -14.661 11.910 0.055 1.00 60.41 C ATOM 1125 C VAL A 78 -15.720 12.676 -0.730 1.00 2.23 C ATOM 1126 O VAL A 78 -15.981 13.848 -0.459 1.00 14.43 O ATOM 1127 CB VAL A 78 -13.272 12.230 -0.530 1.00 15.24 C ATOM 1128 CG1 VAL A 78 -13.032 13.732 -0.543 1.00 12.12 C ATOM 1129 CG2 VAL A 78 -12.185 11.515 0.258 1.00 33.02 C ATOM 0 H VAL A 78 -14.149 9.906 -0.295 1.00 44.44 H new ATOM 0 HA VAL A 78 -14.688 12.224 1.098 1.00 60.41 H new ATOM 0 HB VAL A 78 -13.238 11.872 -1.559 1.00 15.24 H new ATOM 0 HG11 VAL A 78 -12.046 13.939 -0.959 1.00 12.12 H new ATOM 0 HG12 VAL A 78 -13.793 14.217 -1.154 1.00 12.12 H new ATOM 0 HG13 VAL A 78 -13.084 14.118 0.475 1.00 12.12 H new ATOM 0 HG21 VAL A 78 -11.210 11.752 -0.169 1.00 33.02 H new ATOM 0 HG22 VAL A 78 -12.215 11.841 1.298 1.00 33.02 H new ATOM 0 HG23 VAL A 78 -12.350 10.439 0.211 1.00 33.02 H new ATOM 1139 N PHE A 79 -16.327 12.006 -1.704 1.00 11.44 N ATOM 1140 CA PHE A 79 -17.358 12.625 -2.529 1.00 32.51 C ATOM 1141 C PHE A 79 -18.439 13.263 -1.661 1.00 42.34 C ATOM 1142 O PHE A 79 -18.803 14.422 -1.858 1.00 51.24 O ATOM 1143 CB PHE A 79 -17.985 11.586 -3.462 1.00 10.31 C ATOM 1144 CG PHE A 79 -17.774 11.885 -4.919 1.00 32.22 C ATOM 1145 CD1 PHE A 79 -17.292 10.909 -5.777 1.00 14.42 C ATOM 1146 CD2 PHE A 79 -18.057 13.141 -5.430 1.00 54.11 C ATOM 1147 CE1 PHE A 79 -17.098 11.181 -7.118 1.00 63.41 C ATOM 1148 CE2 PHE A 79 -17.865 13.418 -6.770 1.00 71.04 C ATOM 1149 CZ PHE A 79 -17.383 12.437 -7.615 1.00 55.02 C ATOM 0 H PHE A 79 -16.123 11.035 -1.941 1.00 11.44 H new ATOM 0 HA PHE A 79 -16.889 13.406 -3.128 1.00 32.51 H new ATOM 0 HB2 PHE A 79 -17.565 10.606 -3.236 1.00 10.31 H new ATOM 0 HB3 PHE A 79 -19.055 11.528 -3.262 1.00 10.31 H new ATOM 0 HD1 PHE A 79 -17.066 9.925 -5.393 1.00 14.42 H new ATOM 0 HD2 PHE A 79 -18.432 13.912 -4.774 1.00 54.11 H new ATOM 0 HE1 PHE A 79 -16.724 10.411 -7.777 1.00 63.41 H new ATOM 0 HE2 PHE A 79 -18.092 14.401 -7.157 1.00 71.04 H new ATOM 0 HZ PHE A 79 -17.229 12.652 -8.662 1.00 55.02 H new ATOM 1159 N MET A 80 -18.947 12.498 -0.701 1.00 53.11 N ATOM 1160 CA MET A 80 -19.986 12.989 0.197 1.00 2.23 C ATOM 1161 C MET A 80 -19.379 13.512 1.496 1.00 70.35 C ATOM 1162 O MET A 80 -20.010 14.279 2.223 1.00 3.20 O ATOM 1163 CB MET A 80 -20.993 11.879 0.502 1.00 32.21 C ATOM 1164 CG MET A 80 -22.380 12.395 0.851 1.00 43.12 C ATOM 1165 SD MET A 80 -23.552 11.066 1.184 1.00 52.41 S ATOM 1166 CE MET A 80 -24.071 11.482 2.847 1.00 20.32 C ATOM 0 H MET A 80 -18.657 11.536 -0.525 1.00 53.11 H new ATOM 0 HA MET A 80 -20.502 13.811 -0.300 1.00 2.23 H new ATOM 0 HB2 MET A 80 -21.067 11.219 -0.362 1.00 32.21 H new ATOM 0 HB3 MET A 80 -20.619 11.278 1.331 1.00 32.21 H new ATOM 0 HG2 MET A 80 -22.313 13.043 1.725 1.00 43.12 H new ATOM 0 HG3 MET A 80 -22.753 13.006 0.029 1.00 43.12 H new ATOM 0 HE1 MET A 80 -24.799 10.749 3.195 1.00 20.32 H new ATOM 0 HE2 MET A 80 -23.206 11.477 3.510 1.00 20.32 H new ATOM 0 HE3 MET A 80 -24.524 12.473 2.849 1.00 20.32 H new ATOM 1176 N LYS A 81 -18.151 13.091 1.781 1.00 54.10 N ATOM 1177 CA LYS A 81 -17.458 13.517 2.991 1.00 72.00 C ATOM 1178 C LYS A 81 -17.153 15.011 2.946 1.00 31.21 C ATOM 1179 O LYS A 81 -17.564 15.765 3.828 1.00 22.15 O ATOM 1180 CB LYS A 81 -16.160 12.725 3.165 1.00 11.41 C ATOM 1181 CG LYS A 81 -15.760 12.525 4.617 1.00 44.55 C ATOM 1182 CD LYS A 81 -16.711 11.582 5.333 1.00 72.24 C ATOM 1183 CE LYS A 81 -16.662 10.183 4.737 1.00 11.02 C ATOM 1184 NZ LYS A 81 -17.085 9.147 5.720 1.00 63.23 N ATOM 0 H LYS A 81 -17.615 12.455 1.190 1.00 54.10 H new ATOM 0 HA LYS A 81 -18.111 13.323 3.842 1.00 72.00 H new ATOM 0 HB2 LYS A 81 -16.272 11.750 2.690 1.00 11.41 H new ATOM 0 HB3 LYS A 81 -15.355 13.243 2.643 1.00 11.41 H new ATOM 0 HG2 LYS A 81 -14.747 12.126 4.664 1.00 44.55 H new ATOM 0 HG3 LYS A 81 -15.748 13.488 5.128 1.00 44.55 H new ATOM 0 HD2 LYS A 81 -16.453 11.537 6.391 1.00 72.24 H new ATOM 0 HD3 LYS A 81 -17.727 11.971 5.269 1.00 72.24 H new ATOM 0 HE2 LYS A 81 -17.309 10.138 3.861 1.00 11.02 H new ATOM 0 HE3 LYS A 81 -15.649 9.968 4.396 1.00 11.02 H new ATOM 0 HZ1 LYS A 81 -17.038 8.208 5.276 1.00 63.23 H new ATOM 0 HZ2 LYS A 81 -16.452 9.172 6.545 1.00 63.23 H new ATOM 0 HZ3 LYS A 81 -18.061 9.337 6.026 1.00 63.23 H new ATOM 1198 N TYR A 82 -16.432 15.432 1.913 1.00 20.30 N ATOM 1199 CA TYR A 82 -16.071 16.836 1.754 1.00 74.50 C ATOM 1200 C TYR A 82 -16.621 17.394 0.445 1.00 12.31 C ATOM 1201 O TYR A 82 -16.888 18.590 0.331 1.00 62.24 O ATOM 1202 CB TYR A 82 -14.551 17.001 1.793 1.00 33.15 C ATOM 1203 CG TYR A 82 -13.880 16.172 2.865 1.00 3.42 C ATOM 1204 CD1 TYR A 82 -14.446 16.044 4.128 1.00 65.22 C ATOM 1205 CD2 TYR A 82 -12.679 15.519 2.616 1.00 51.11 C ATOM 1206 CE1 TYR A 82 -13.835 15.288 5.110 1.00 13.44 C ATOM 1207 CE2 TYR A 82 -12.063 14.760 3.592 1.00 44.51 C ATOM 1208 CZ TYR A 82 -12.644 14.648 4.838 1.00 54.35 C ATOM 1209 OH TYR A 82 -12.033 13.895 5.813 1.00 64.31 O ATOM 0 H TYR A 82 -16.086 14.821 1.173 1.00 20.30 H new ATOM 0 HA TYR A 82 -16.511 17.394 2.580 1.00 74.50 H new ATOM 0 HB2 TYR A 82 -14.139 16.727 0.822 1.00 33.15 H new ATOM 0 HB3 TYR A 82 -14.312 18.052 1.955 1.00 33.15 H new ATOM 0 HD1 TYR A 82 -15.379 16.544 4.345 1.00 65.22 H new ATOM 0 HD2 TYR A 82 -12.219 15.606 1.643 1.00 51.11 H new ATOM 0 HE1 TYR A 82 -14.288 15.199 6.086 1.00 13.44 H new ATOM 0 HE2 TYR A 82 -11.131 14.257 3.381 1.00 44.51 H new ATOM 0 HH TYR A 82 -12.436 13.002 5.837 1.00 64.31 H new ATOM 1219 N GLY A 83 -16.789 16.518 -0.541 1.00 2.11 N ATOM 1220 CA GLY A 83 -17.306 16.941 -1.829 1.00 54.11 C ATOM 1221 C GLY A 83 -16.553 18.128 -2.395 1.00 50.41 C ATOM 1222 O GLY A 83 -17.094 19.230 -2.481 1.00 11.41 O ATOM 0 H GLY A 83 -16.576 15.523 -0.471 1.00 2.11 H new ATOM 0 HA2 GLY A 83 -17.248 16.109 -2.531 1.00 54.11 H new ATOM 0 HA3 GLY A 83 -18.360 17.199 -1.727 1.00 54.11 H new ATOM 1226 N GLN A 84 -15.301 17.904 -2.780 1.00 60.14 N ATOM 1227 CA GLN A 84 -14.472 18.966 -3.339 1.00 20.54 C ATOM 1228 C GLN A 84 -14.498 20.202 -2.447 1.00 11.52 C ATOM 1229 O GLN A 84 -14.821 21.300 -2.901 1.00 65.54 O ATOM 1230 CB GLN A 84 -14.949 19.327 -4.746 1.00 42.04 C ATOM 1231 CG GLN A 84 -14.701 18.233 -5.772 1.00 42.13 C ATOM 1232 CD GLN A 84 -15.896 17.997 -6.674 1.00 72.22 C ATOM 1233 OE1 GLN A 84 -16.777 17.195 -6.360 1.00 44.31 O ATOM 1234 NE2 GLN A 84 -15.934 18.695 -7.803 1.00 2.41 N ATOM 0 H GLN A 84 -14.838 16.997 -2.715 1.00 60.14 H new ATOM 0 HA GLN A 84 -13.446 18.602 -3.394 1.00 20.54 H new ATOM 0 HB2 GLN A 84 -16.016 19.548 -4.713 1.00 42.04 H new ATOM 0 HB3 GLN A 84 -14.445 20.238 -5.069 1.00 42.04 H new ATOM 0 HG2 GLN A 84 -13.838 18.501 -6.381 1.00 42.13 H new ATOM 0 HG3 GLN A 84 -14.452 17.306 -5.256 1.00 42.13 H new ATOM 0 HE21 GLN A 84 -15.183 19.349 -8.024 1.00 2.41 H new ATOM 0 HE22 GLN A 84 -16.714 18.577 -8.449 1.00 2.41 H new ATOM 1243 N GLU A 85 -14.157 20.017 -1.175 1.00 70.24 N ATOM 1244 CA GLU A 85 -14.143 21.118 -0.220 1.00 50.52 C ATOM 1245 C GLU A 85 -13.537 20.678 1.109 1.00 11.23 C ATOM 1246 O GLU A 85 -14.257 20.335 2.048 1.00 64.43 O ATOM 1247 CB GLU A 85 -15.561 21.647 0.003 1.00 35.03 C ATOM 1248 CG GLU A 85 -15.850 22.945 -0.732 1.00 12.14 C ATOM 1249 CD GLU A 85 -17.195 22.932 -1.432 1.00 40.22 C ATOM 1250 OE1 GLU A 85 -18.056 23.765 -1.078 1.00 21.43 O ATOM 1251 OE2 GLU A 85 -17.387 22.090 -2.334 1.00 44.32 O ATOM 0 H GLU A 85 -13.887 19.115 -0.783 1.00 70.24 H new ATOM 0 HA GLU A 85 -13.526 21.916 -0.634 1.00 50.52 H new ATOM 0 HB2 GLU A 85 -16.277 20.890 -0.319 1.00 35.03 H new ATOM 0 HB3 GLU A 85 -15.718 21.801 1.071 1.00 35.03 H new ATOM 0 HG2 GLU A 85 -15.821 23.773 -0.024 1.00 12.14 H new ATOM 0 HG3 GLU A 85 -15.064 23.125 -1.466 1.00 12.14 H new ATOM 1258 N ILE A 86 -12.210 20.691 1.181 1.00 34.10 N ATOM 1259 CA ILE A 86 -11.508 20.294 2.395 1.00 63.23 C ATOM 1260 C ILE A 86 -10.263 21.147 2.613 1.00 21.04 C ATOM 1261 O ILE A 86 -9.535 21.455 1.669 1.00 30.53 O ATOM 1262 CB ILE A 86 -11.098 18.810 2.348 1.00 64.01 C ATOM 1263 CG1 ILE A 86 -10.598 18.353 3.720 1.00 33.30 C ATOM 1264 CG2 ILE A 86 -10.028 18.589 1.289 1.00 52.25 C ATOM 1265 CD1 ILE A 86 -11.705 18.167 4.735 1.00 41.14 C ATOM 0 H ILE A 86 -11.600 20.972 0.413 1.00 34.10 H new ATOM 0 HA ILE A 86 -12.199 20.445 3.224 1.00 63.23 H new ATOM 0 HB ILE A 86 -11.972 18.215 2.083 1.00 64.01 H new ATOM 0 HG12 ILE A 86 -10.058 17.413 3.606 1.00 33.30 H new ATOM 0 HG13 ILE A 86 -9.886 19.085 4.101 1.00 33.30 H new ATOM 0 HG21 ILE A 86 -9.749 17.536 1.268 1.00 52.25 H new ATOM 0 HG22 ILE A 86 -10.416 18.881 0.313 1.00 52.25 H new ATOM 0 HG23 ILE A 86 -9.151 19.192 1.526 1.00 52.25 H new ATOM 0 HD11 ILE A 86 -11.278 17.843 5.684 1.00 41.14 H new ATOM 0 HD12 ILE A 86 -12.230 19.111 4.878 1.00 41.14 H new ATOM 0 HD13 ILE A 86 -12.405 17.413 4.376 1.00 41.14 H new ATOM 1277 N ARG A 87 -10.023 21.525 3.865 1.00 75.31 N ATOM 1278 CA ARG A 87 -8.866 22.342 4.208 1.00 20.01 C ATOM 1279 C ARG A 87 -7.783 21.498 4.874 1.00 11.34 C ATOM 1280 O ARG A 87 -8.058 20.737 5.803 1.00 5.33 O ATOM 1281 CB ARG A 87 -9.280 23.486 5.136 1.00 25.41 C ATOM 1282 CG ARG A 87 -8.688 24.830 4.747 1.00 44.32 C ATOM 1283 CD ARG A 87 -7.167 24.797 4.768 1.00 34.02 C ATOM 1284 NE ARG A 87 -6.592 26.137 4.846 1.00 64.21 N ATOM 1285 CZ ARG A 87 -6.665 26.907 5.926 1.00 73.12 C ATOM 1286 NH1 ARG A 87 -7.287 26.472 7.013 1.00 23.22 N ATOM 1287 NH2 ARG A 87 -6.116 28.115 5.919 1.00 32.15 N ATOM 0 H ARG A 87 -10.615 21.278 4.658 1.00 75.31 H new ATOM 0 HA ARG A 87 -8.461 22.760 3.286 1.00 20.01 H new ATOM 0 HB2 ARG A 87 -10.367 23.565 5.139 1.00 25.41 H new ATOM 0 HB3 ARG A 87 -8.975 23.245 6.154 1.00 25.41 H new ATOM 0 HG2 ARG A 87 -9.033 25.106 3.751 1.00 44.32 H new ATOM 0 HG3 ARG A 87 -9.046 25.598 5.432 1.00 44.32 H new ATOM 0 HD2 ARG A 87 -6.829 24.207 5.620 1.00 34.02 H new ATOM 0 HD3 ARG A 87 -6.803 24.298 3.870 1.00 34.02 H new ATOM 0 HE ARG A 87 -6.108 26.502 4.026 1.00 64.21 H new ATOM 0 HH11 ARG A 87 -7.711 25.544 7.021 1.00 23.22 H new ATOM 0 HH12 ARG A 87 -7.342 27.065 7.841 1.00 23.22 H new ATOM 0 HH21 ARG A 87 -5.638 28.453 5.084 1.00 32.15 H new ATOM 0 HH22 ARG A 87 -6.172 28.706 6.749 1.00 32.15 H new ATOM 1301 N LEU A 88 -6.553 21.638 4.394 1.00 65.22 N ATOM 1302 CA LEU A 88 -5.427 20.888 4.942 1.00 14.32 C ATOM 1303 C LEU A 88 -4.778 21.647 6.095 1.00 31.23 C ATOM 1304 O LEU A 88 -4.303 22.770 5.923 1.00 35.11 O ATOM 1305 CB LEU A 88 -4.392 20.613 3.850 1.00 1.14 C ATOM 1306 CG LEU A 88 -3.288 19.617 4.208 1.00 0.41 C ATOM 1307 CD1 LEU A 88 -3.077 18.624 3.076 1.00 54.43 C ATOM 1308 CD2 LEU A 88 -1.992 20.349 4.526 1.00 12.30 C ATOM 0 H LEU A 88 -6.309 22.264 3.626 1.00 65.22 H new ATOM 0 HA LEU A 88 -5.805 19.939 5.323 1.00 14.32 H new ATOM 0 HB2 LEU A 88 -4.914 20.244 2.967 1.00 1.14 H new ATOM 0 HB3 LEU A 88 -3.925 21.558 3.573 1.00 1.14 H new ATOM 0 HG LEU A 88 -3.597 19.065 5.095 1.00 0.41 H new ATOM 0 HD11 LEU A 88 -2.288 17.923 3.349 1.00 54.43 H new ATOM 0 HD12 LEU A 88 -4.002 18.076 2.895 1.00 54.43 H new ATOM 0 HD13 LEU A 88 -2.790 19.159 2.171 1.00 54.43 H new ATOM 0 HD21 LEU A 88 -1.218 19.625 4.779 1.00 12.30 H new ATOM 0 HD22 LEU A 88 -1.678 20.928 3.657 1.00 12.30 H new ATOM 0 HD23 LEU A 88 -2.151 21.020 5.370 1.00 12.30 H new ATOM 1320 N ILE A 89 -4.759 21.025 7.269 1.00 31.03 N ATOM 1321 CA ILE A 89 -4.165 21.640 8.450 1.00 42.35 C ATOM 1322 C ILE A 89 -3.280 20.650 9.199 1.00 33.04 C ATOM 1323 O ILE A 89 -3.661 19.506 9.451 1.00 41.42 O ATOM 1324 CB ILE A 89 -5.244 22.176 9.409 1.00 40.11 C ATOM 1325 CG1 ILE A 89 -6.159 23.163 8.682 1.00 51.33 C ATOM 1326 CG2 ILE A 89 -4.598 22.836 10.618 1.00 45.34 C ATOM 1327 CD1 ILE A 89 -7.280 23.698 9.546 1.00 63.31 C ATOM 0 H ILE A 89 -5.148 20.096 7.428 1.00 31.03 H new ATOM 0 HA ILE A 89 -3.557 22.474 8.099 1.00 42.35 H new ATOM 0 HB ILE A 89 -5.848 21.338 9.757 1.00 40.11 H new ATOM 0 HG12 ILE A 89 -5.562 23.999 8.318 1.00 51.33 H new ATOM 0 HG13 ILE A 89 -6.587 22.672 7.808 1.00 51.33 H new ATOM 0 HG21 ILE A 89 -5.374 23.210 11.286 1.00 45.34 H new ATOM 0 HG22 ILE A 89 -3.984 22.106 11.146 1.00 45.34 H new ATOM 0 HG23 ILE A 89 -3.972 23.666 10.289 1.00 45.34 H new ATOM 0 HD11 ILE A 89 -7.888 24.391 8.965 1.00 63.31 H new ATOM 0 HD12 ILE A 89 -7.901 22.871 9.889 1.00 63.31 H new ATOM 0 HD13 ILE A 89 -6.860 24.218 10.407 1.00 63.31 H new ATOM 1339 N PRO A 90 -2.071 21.098 9.568 1.00 61.03 N ATOM 1340 CA PRO A 90 -1.107 20.268 10.297 1.00 75.23 C ATOM 1341 C PRO A 90 -1.549 19.990 11.730 1.00 71.25 C ATOM 1342 O PRO A 90 -1.059 20.612 12.672 1.00 52.42 O ATOM 1343 CB PRO A 90 0.169 21.113 10.285 1.00 60.50 C ATOM 1344 CG PRO A 90 -0.307 22.517 10.144 1.00 35.00 C ATOM 1345 CD PRO A 90 -1.551 22.450 9.301 1.00 31.34 C ATOM 0 HA PRO A 90 -0.988 19.285 9.841 1.00 75.23 H new ATOM 0 HB2 PRO A 90 0.741 20.979 11.203 1.00 60.50 H new ATOM 0 HB3 PRO A 90 0.822 20.832 9.459 1.00 60.50 H new ATOM 0 HG2 PRO A 90 -0.519 22.957 11.118 1.00 35.00 H new ATOM 0 HG3 PRO A 90 0.452 23.141 9.671 1.00 35.00 H new ATOM 0 HD2 PRO A 90 -2.269 23.220 9.583 1.00 31.34 H new ATOM 0 HD3 PRO A 90 -1.328 22.593 8.244 1.00 31.34 H new ATOM 1353 N ARG A 91 -2.477 19.051 11.886 1.00 2.13 N ATOM 1354 CA ARG A 91 -2.985 18.692 13.205 1.00 64.42 C ATOM 1355 C ARG A 91 -2.522 17.293 13.603 1.00 74.14 C ATOM 1356 O ARG A 91 -2.131 16.493 12.753 1.00 70.51 O ATOM 1357 CB ARG A 91 -4.513 18.759 13.222 1.00 2.40 C ATOM 1358 CG ARG A 91 -5.078 19.440 14.458 1.00 53.43 C ATOM 1359 CD ARG A 91 -6.574 19.680 14.326 1.00 33.34 C ATOM 1360 NE ARG A 91 -7.306 19.235 15.509 1.00 23.45 N ATOM 1361 CZ ARG A 91 -7.292 19.882 16.669 1.00 2.50 C ATOM 1362 NH1 ARG A 91 -6.588 20.998 16.800 1.00 11.53 N ATOM 1363 NH2 ARG A 91 -7.983 19.414 17.700 1.00 14.53 N ATOM 0 H ARG A 91 -2.892 18.526 11.116 1.00 2.13 H new ATOM 0 HA ARG A 91 -2.589 19.407 13.927 1.00 64.42 H new ATOM 0 HB2 ARG A 91 -4.855 19.292 12.335 1.00 2.40 H new ATOM 0 HB3 ARG A 91 -4.914 17.747 13.160 1.00 2.40 H new ATOM 0 HG2 ARG A 91 -4.883 18.824 15.336 1.00 53.43 H new ATOM 0 HG3 ARG A 91 -4.568 20.390 14.616 1.00 53.43 H new ATOM 0 HD2 ARG A 91 -6.758 20.742 14.164 1.00 33.34 H new ATOM 0 HD3 ARG A 91 -6.949 19.154 13.448 1.00 33.34 H new ATOM 0 HE ARG A 91 -7.858 18.380 15.441 1.00 23.45 H new ATOM 0 HH11 ARG A 91 -6.056 21.361 16.009 1.00 11.53 H new ATOM 0 HH12 ARG A 91 -6.579 21.493 17.692 1.00 11.53 H new ATOM 0 HH21 ARG A 91 -8.526 18.556 17.603 1.00 14.53 H new ATOM 0 HH22 ARG A 91 -7.971 19.912 18.590 1.00 14.53 H new ATOM 1377 N ASP A 92 -2.570 17.006 14.899 1.00 50.22 N ATOM 1378 CA ASP A 92 -2.157 15.704 15.410 1.00 42.24 C ATOM 1379 C ASP A 92 -0.673 15.464 15.149 1.00 10.31 C ATOM 1380 O ASP A 92 -0.255 14.339 14.877 1.00 25.22 O ATOM 1381 CB ASP A 92 -2.987 14.593 14.765 1.00 22.11 C ATOM 1382 CG ASP A 92 -3.434 13.548 15.768 1.00 24.15 C ATOM 1383 OD1 ASP A 92 -2.574 13.040 16.519 1.00 32.11 O ATOM 1384 OD2 ASP A 92 -4.643 13.239 15.804 1.00 62.22 O ATOM 0 H ASP A 92 -2.891 17.658 15.615 1.00 50.22 H new ATOM 0 HA ASP A 92 -2.325 15.694 16.487 1.00 42.24 H new ATOM 0 HB2 ASP A 92 -3.863 15.030 14.285 1.00 22.11 H new ATOM 0 HB3 ASP A 92 -2.400 14.113 13.982 1.00 22.11 H new ATOM 1389 N ARG A 93 0.117 16.530 15.233 1.00 21.40 N ATOM 1390 CA ARG A 93 1.554 16.435 15.004 1.00 11.10 C ATOM 1391 C ARG A 93 2.311 17.426 15.884 1.00 71.41 C ATOM 1392 O ARG A 93 3.228 17.049 16.614 1.00 71.11 O ATOM 1393 CB ARG A 93 1.875 16.696 13.531 1.00 23.43 C ATOM 1394 CG ARG A 93 3.365 16.734 13.231 1.00 53.15 C ATOM 1395 CD ARG A 93 3.633 17.180 11.802 1.00 62.44 C ATOM 1396 NE ARG A 93 4.791 18.065 11.713 1.00 51.52 N ATOM 1397 CZ ARG A 93 5.117 18.741 10.617 1.00 52.24 C ATOM 1398 NH1 ARG A 93 4.376 18.633 9.522 1.00 1.04 N ATOM 1399 NH2 ARG A 93 6.186 19.528 10.614 1.00 75.32 N ATOM 0 H ARG A 93 -0.214 17.468 15.458 1.00 21.40 H new ATOM 0 HA ARG A 93 1.873 15.426 15.265 1.00 11.10 H new ATOM 0 HB2 ARG A 93 1.410 15.920 12.923 1.00 23.43 H new ATOM 0 HB3 ARG A 93 1.428 17.645 13.233 1.00 23.43 H new ATOM 0 HG2 ARG A 93 3.860 17.414 13.925 1.00 53.15 H new ATOM 0 HG3 ARG A 93 3.795 15.745 13.392 1.00 53.15 H new ATOM 0 HD2 ARG A 93 3.797 16.304 11.174 1.00 62.44 H new ATOM 0 HD3 ARG A 93 2.754 17.693 11.411 1.00 62.44 H new ATOM 0 HE ARG A 93 5.382 18.170 12.538 1.00 51.52 H new ATOM 0 HH11 ARG A 93 3.554 18.030 9.520 1.00 1.04 H new ATOM 0 HH12 ARG A 93 4.629 19.153 8.682 1.00 1.04 H new ATOM 0 HH21 ARG A 93 6.758 19.614 11.454 1.00 75.32 H new ATOM 0 HH22 ARG A 93 6.435 20.047 9.772 1.00 75.32 H new ATOM 1413 N VAL A 94 1.921 18.694 15.809 1.00 50.22 N ATOM 1414 CA VAL A 94 2.562 19.739 16.598 1.00 11.04 C ATOM 1415 C VAL A 94 1.873 19.909 17.948 1.00 71.13 C ATOM 1416 O VAL A 94 2.526 19.942 18.990 1.00 54.50 O ATOM 1417 CB VAL A 94 2.553 21.089 15.856 1.00 31.42 C ATOM 1418 CG1 VAL A 94 3.195 22.172 16.709 1.00 22.34 C ATOM 1419 CG2 VAL A 94 3.262 20.964 14.516 1.00 75.21 C ATOM 0 H VAL A 94 1.164 19.023 15.210 1.00 50.22 H new ATOM 0 HA VAL A 94 3.594 19.427 16.756 1.00 11.04 H new ATOM 0 HB VAL A 94 1.518 21.374 15.669 1.00 31.42 H new ATOM 0 HG11 VAL A 94 3.179 23.118 16.168 1.00 22.34 H new ATOM 0 HG12 VAL A 94 2.640 22.278 17.641 1.00 22.34 H new ATOM 0 HG13 VAL A 94 4.226 21.897 16.930 1.00 22.34 H new ATOM 0 HG21 VAL A 94 3.246 21.927 14.005 1.00 75.21 H new ATOM 0 HG22 VAL A 94 4.295 20.656 14.678 1.00 75.21 H new ATOM 0 HG23 VAL A 94 2.753 20.220 13.903 1.00 75.21 H new ATOM 1429 N GLY A 95 0.548 20.015 17.920 1.00 13.33 N ATOM 1430 CA GLY A 95 -0.209 20.180 19.148 1.00 43.12 C ATOM 1431 C GLY A 95 -1.558 19.492 19.094 1.00 72.10 C ATOM 1432 O GLY A 95 -2.567 20.114 18.763 1.00 50.44 O ATOM 0 H GLY A 95 -0.015 19.990 17.070 1.00 13.33 H new ATOM 0 HA2 GLY A 95 0.367 19.779 19.983 1.00 43.12 H new ATOM 0 HA3 GLY A 95 -0.354 21.243 19.342 1.00 43.12 H new