USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 508 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 Single : A 11 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 102:sc= 0.956 USER MOD Single : A 19 TYR OH : rot -179:sc= 0.833 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 45 MET CE :methyl -168:sc= 0 (180deg=-0.148) USER MOD Single : A 63 GLN : amide:sc= -0.299 K(o=-0.3,f=-3.2!) USER MOD Single : A 66 SER OG : rot 85:sc= 0.00231 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0782 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0575 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 17.975 1.679 -6.506 1.00 3.43 N ATOM 118 CA ALA A 10 18.818 2.194 -7.573 1.00 32.23 C ATOM 119 C ALA A 10 19.166 1.131 -8.630 1.00 2.32 C ATOM 120 O ALA A 10 19.331 1.437 -9.817 1.00 53.11 O ATOM 121 CB ALA A 10 20.128 2.758 -6.964 1.00 32.51 C ATOM 0 HA ALA A 10 18.253 2.977 -8.079 1.00 32.23 H new ATOM 0 HB1 ALA A 10 20.763 3.145 -7.761 1.00 32.51 H new ATOM 0 HB2 ALA A 10 19.889 3.562 -6.268 1.00 32.51 H new ATOM 0 HB3 ALA A 10 20.654 1.964 -6.434 1.00 32.51 H new ATOM 127 N THR A 11 19.257 -0.121 -8.209 1.00 33.13 N ATOM 128 CA THR A 11 19.644 -1.199 -9.110 1.00 33.34 C ATOM 129 C THR A 11 18.556 -1.470 -10.154 1.00 64.31 C ATOM 130 O THR A 11 18.855 -1.912 -11.252 1.00 0.00 O ATOM 131 CB THR A 11 19.897 -2.500 -8.313 1.00 52.33 C ATOM 132 OG1 THR A 11 20.586 -2.171 -7.111 1.00 44.14 O ATOM 133 CG2 THR A 11 20.756 -3.501 -9.121 1.00 40.31 C ATOM 0 H THR A 11 19.069 -0.417 -7.251 1.00 33.13 H new ATOM 0 HA THR A 11 20.556 -0.886 -9.618 1.00 33.34 H new ATOM 0 HB THR A 11 18.935 -2.967 -8.100 1.00 52.33 H new ATOM 0 HG1 THR A 11 20.751 -2.987 -6.595 1.00 44.14 H new ATOM 0 HG21 THR A 11 20.914 -4.404 -8.531 1.00 40.31 H new ATOM 0 HG22 THR A 11 20.241 -3.758 -10.047 1.00 40.31 H new ATOM 0 HG23 THR A 11 21.719 -3.047 -9.356 1.00 40.31 H new ATOM 141 N GLU A 12 17.303 -1.164 -9.861 1.00 61.13 N ATOM 142 CA GLU A 12 16.230 -1.423 -10.831 1.00 4.25 C ATOM 143 C GLU A 12 16.454 -0.620 -12.108 1.00 55.42 C ATOM 144 O GLU A 12 16.115 -1.095 -13.200 1.00 62.45 O ATOM 145 CB GLU A 12 14.899 -1.069 -10.203 1.00 65.32 C ATOM 146 CG GLU A 12 14.554 -2.005 -9.113 1.00 13.53 C ATOM 147 CD GLU A 12 13.415 -1.497 -8.290 1.00 12.11 C ATOM 148 OE1 GLU A 12 12.383 -1.078 -8.842 1.00 24.42 O ATOM 149 OE2 GLU A 12 13.582 -1.460 -7.064 1.00 4.22 O ATOM 0 H GLU A 12 16.999 -0.745 -8.982 1.00 61.13 H new ATOM 0 HA GLU A 12 16.233 -2.480 -11.099 1.00 4.25 H new ATOM 0 HB2 GLU A 12 14.937 -0.052 -9.813 1.00 65.32 H new ATOM 0 HB3 GLU A 12 14.119 -1.090 -10.964 1.00 65.32 H new ATOM 0 HG2 GLU A 12 14.294 -2.976 -9.535 1.00 13.53 H new ATOM 0 HG3 GLU A 12 15.425 -2.158 -8.475 1.00 13.53 H new ATOM 156 N LYS A 13 17.056 0.557 -11.994 1.00 3.45 N ATOM 157 CA LYS A 13 17.330 1.365 -13.159 1.00 5.02 C ATOM 158 C LYS A 13 18.400 0.747 -14.047 1.00 52.05 C ATOM 159 O LYS A 13 18.377 0.963 -15.257 1.00 41.11 O ATOM 160 CB LYS A 13 17.672 2.796 -12.766 1.00 71.44 C ATOM 161 CG LYS A 13 19.181 3.046 -12.580 1.00 1.44 C ATOM 162 CD LYS A 13 19.470 4.322 -11.773 1.00 24.02 C ATOM 163 CE LYS A 13 19.099 5.587 -12.543 1.00 24.11 C ATOM 164 NZ LYS A 13 19.651 6.816 -11.880 1.00 13.42 N ATOM 0 H LYS A 13 17.359 0.965 -11.110 1.00 3.45 H new ATOM 0 HA LYS A 13 16.417 1.397 -13.754 1.00 5.02 H new ATOM 0 HB2 LYS A 13 17.293 3.474 -13.531 1.00 71.44 H new ATOM 0 HB3 LYS A 13 17.155 3.041 -11.838 1.00 71.44 H new ATOM 0 HG2 LYS A 13 19.628 2.191 -12.074 1.00 1.44 H new ATOM 0 HG3 LYS A 13 19.657 3.122 -13.558 1.00 1.44 H new ATOM 0 HD2 LYS A 13 18.913 4.292 -10.837 1.00 24.02 H new ATOM 0 HD3 LYS A 13 20.528 4.354 -11.513 1.00 24.02 H new ATOM 0 HE2 LYS A 13 19.481 5.519 -13.562 1.00 24.11 H new ATOM 0 HE3 LYS A 13 18.014 5.666 -12.614 1.00 24.11 H new ATOM 0 HZ1 LYS A 13 19.381 7.657 -12.428 1.00 13.42 H new ATOM 0 HZ2 LYS A 13 19.267 6.893 -10.916 1.00 13.42 H new ATOM 0 HZ3 LYS A 13 20.688 6.750 -11.835 1.00 13.42 H new ATOM 178 N VAL A 14 19.337 0.013 -13.439 1.00 74.51 N ATOM 179 CA VAL A 14 20.407 -0.596 -14.243 1.00 63.14 C ATOM 180 C VAL A 14 19.841 -1.835 -14.932 1.00 51.42 C ATOM 181 O VAL A 14 20.165 -2.127 -16.078 1.00 71.33 O ATOM 182 CB VAL A 14 21.707 -0.930 -13.420 1.00 43.04 C ATOM 183 CG1 VAL A 14 21.939 0.102 -12.302 1.00 50.43 C ATOM 184 CG2 VAL A 14 21.708 -2.352 -12.809 1.00 42.03 C ATOM 0 H VAL A 14 19.381 -0.171 -12.437 1.00 74.51 H new ATOM 0 HA VAL A 14 20.734 0.134 -14.983 1.00 63.14 H new ATOM 0 HB VAL A 14 22.522 -0.886 -14.143 1.00 43.04 H new ATOM 0 HG11 VAL A 14 22.844 -0.155 -11.751 1.00 50.43 H new ATOM 0 HG12 VAL A 14 22.050 1.094 -12.740 1.00 50.43 H new ATOM 0 HG13 VAL A 14 21.087 0.099 -11.622 1.00 50.43 H new ATOM 0 HG21 VAL A 14 22.634 -2.510 -12.257 1.00 42.03 H new ATOM 0 HG22 VAL A 14 20.860 -2.458 -12.133 1.00 42.03 H new ATOM 0 HG23 VAL A 14 21.630 -3.091 -13.607 1.00 42.03 H new ATOM 194 N LEU A 15 18.933 -2.522 -14.252 1.00 41.34 N ATOM 195 CA LEU A 15 18.356 -3.743 -14.787 1.00 41.32 C ATOM 196 C LEU A 15 17.440 -3.394 -15.967 1.00 11.44 C ATOM 197 O LEU A 15 17.548 -4.003 -17.033 1.00 72.40 O ATOM 198 CB LEU A 15 17.568 -4.450 -13.708 1.00 73.05 C ATOM 199 CG LEU A 15 18.436 -5.042 -12.599 1.00 53.14 C ATOM 200 CD1 LEU A 15 17.607 -5.254 -11.392 1.00 22.32 C ATOM 201 CD2 LEU A 15 19.064 -6.340 -13.025 1.00 22.43 C ATOM 0 H LEU A 15 18.583 -2.254 -13.332 1.00 41.34 H new ATOM 0 HA LEU A 15 19.151 -4.405 -15.132 1.00 41.32 H new ATOM 0 HB2 LEU A 15 16.861 -3.747 -13.267 1.00 73.05 H new ATOM 0 HB3 LEU A 15 16.982 -5.248 -14.163 1.00 73.05 H new ATOM 0 HG LEU A 15 19.241 -4.341 -12.380 1.00 53.14 H new ATOM 0 HD11 LEU A 15 18.222 -5.677 -10.598 1.00 22.32 H new ATOM 0 HD12 LEU A 15 17.193 -4.301 -11.063 1.00 22.32 H new ATOM 0 HD13 LEU A 15 16.794 -5.941 -11.625 1.00 22.32 H new ATOM 0 HD21 LEU A 15 19.674 -6.733 -12.212 1.00 22.43 H new ATOM 0 HD22 LEU A 15 18.282 -7.059 -13.272 1.00 22.43 H new ATOM 0 HD23 LEU A 15 19.691 -6.171 -13.900 1.00 22.43 H new ATOM 213 N CYS A 16 16.623 -2.361 -15.794 1.00 64.23 N ATOM 214 CA CYS A 16 15.892 -1.770 -16.859 1.00 4.03 C ATOM 215 C CYS A 16 16.745 -1.437 -18.092 1.00 73.42 C ATOM 216 O CYS A 16 16.274 -1.596 -19.218 1.00 53.24 O ATOM 217 CB CYS A 16 15.247 -0.454 -16.311 1.00 32.11 C ATOM 218 SG CYS A 16 14.684 0.704 -17.606 1.00 20.30 S ATOM 0 H CYS A 16 16.462 -1.919 -14.889 1.00 64.23 H new ATOM 0 HA CYS A 16 15.150 -2.494 -17.194 1.00 4.03 H new ATOM 0 HB2 CYS A 16 14.398 -0.715 -15.680 1.00 32.11 H new ATOM 0 HB3 CYS A 16 15.972 0.055 -15.676 1.00 32.11 H new ATOM 0 HG CYS A 16 13.394 0.614 -17.737 1.00 20.30 H new ATOM 224 N ALA A 17 17.948 -0.885 -17.901 1.00 3.13 N ATOM 225 CA ALA A 17 18.804 -0.540 -19.031 1.00 62.33 C ATOM 226 C ALA A 17 19.296 -1.748 -19.805 1.00 33.34 C ATOM 227 O ALA A 17 19.275 -1.809 -21.000 1.00 1.23 O ATOM 228 CB ALA A 17 20.018 0.249 -18.485 1.00 71.04 C ATOM 0 H ALA A 17 18.343 -0.671 -16.985 1.00 3.13 H new ATOM 0 HA ALA A 17 18.213 0.052 -19.730 1.00 62.33 H new ATOM 0 HB1 ALA A 17 20.676 0.520 -19.310 1.00 71.04 H new ATOM 0 HB2 ALA A 17 19.670 1.153 -17.986 1.00 71.04 H new ATOM 0 HB3 ALA A 17 20.564 -0.370 -17.774 1.00 71.04 H new ATOM 234 N LEU A 18 19.721 -2.723 -19.030 1.00 3.31 N ATOM 235 CA LEU A 18 20.250 -3.980 -19.535 1.00 12.45 C ATOM 236 C LEU A 18 19.192 -4.763 -20.268 1.00 34.25 C ATOM 237 O LEU A 18 19.481 -5.406 -21.259 1.00 4.40 O ATOM 238 CB LEU A 18 20.814 -4.841 -18.352 1.00 52.05 C ATOM 239 CG LEU A 18 22.320 -4.913 -18.084 1.00 61.14 C ATOM 240 CD1 LEU A 18 23.131 -4.528 -19.272 1.00 32.33 C ATOM 241 CD2 LEU A 18 22.784 -4.006 -16.865 1.00 72.34 C ATOM 0 H LEU A 18 19.710 -2.667 -18.012 1.00 3.31 H new ATOM 0 HA LEU A 18 21.053 -3.748 -20.234 1.00 12.45 H new ATOM 0 HB2 LEU A 18 20.343 -4.478 -17.439 1.00 52.05 H new ATOM 0 HB3 LEU A 18 20.467 -5.863 -18.505 1.00 52.05 H new ATOM 0 HG LEU A 18 22.495 -5.960 -17.838 1.00 61.14 H new ATOM 0 HD11 LEU A 18 24.191 -4.597 -19.027 1.00 32.33 H new ATOM 0 HD12 LEU A 18 22.906 -5.200 -20.100 1.00 32.33 H new ATOM 0 HD13 LEU A 18 22.891 -3.505 -19.560 1.00 32.33 H new ATOM 0 HD21 LEU A 18 23.861 -4.103 -16.729 1.00 72.34 H new ATOM 0 HD22 LEU A 18 22.537 -2.965 -17.071 1.00 72.34 H new ATOM 0 HD23 LEU A 18 22.273 -4.327 -15.957 1.00 72.34 H new ATOM 253 N TYR A 19 17.966 -4.667 -19.812 1.00 41.41 N ATOM 254 CA TYR A 19 16.839 -5.282 -20.506 1.00 42.45 C ATOM 255 C TYR A 19 16.658 -4.577 -21.858 1.00 14.31 C ATOM 256 O TYR A 19 16.495 -5.227 -22.883 1.00 3.13 O ATOM 257 CB TYR A 19 15.531 -5.112 -19.709 1.00 71.34 C ATOM 258 CG TYR A 19 15.246 -6.161 -18.628 1.00 24.35 C ATOM 259 CD1 TYR A 19 16.238 -6.605 -17.733 1.00 24.11 C ATOM 260 CD2 TYR A 19 13.938 -6.681 -18.482 1.00 52.40 C ATOM 261 CE1 TYR A 19 15.924 -7.561 -16.705 1.00 71.11 C ATOM 262 CE2 TYR A 19 13.628 -7.640 -17.482 1.00 62.15 C ATOM 263 CZ TYR A 19 14.623 -8.067 -16.600 1.00 52.42 C ATOM 264 OH TYR A 19 14.324 -8.998 -15.619 1.00 11.14 O ATOM 0 H TYR A 19 17.714 -4.168 -18.959 1.00 41.41 H new ATOM 0 HA TYR A 19 17.048 -6.345 -20.626 1.00 42.45 H new ATOM 0 HB2 TYR A 19 15.545 -4.130 -19.236 1.00 71.34 H new ATOM 0 HB3 TYR A 19 14.700 -5.114 -20.414 1.00 71.34 H new ATOM 0 HD1 TYR A 19 17.245 -6.224 -17.819 1.00 24.11 H new ATOM 0 HD2 TYR A 19 13.158 -6.341 -19.147 1.00 52.40 H new ATOM 0 HE1 TYR A 19 16.689 -7.887 -16.016 1.00 71.11 H new ATOM 0 HE2 TYR A 19 12.627 -8.038 -17.404 1.00 62.15 H new ATOM 0 HH TYR A 19 13.382 -9.258 -15.691 1.00 11.14 H new ATOM 274 N ALA A 20 16.684 -3.245 -21.847 1.00 0.23 N ATOM 275 CA ALA A 20 16.433 -2.441 -23.048 1.00 50.14 C ATOM 276 C ALA A 20 17.493 -2.653 -24.132 1.00 11.32 C ATOM 277 O ALA A 20 17.149 -2.668 -25.297 1.00 12.42 O ATOM 278 CB ALA A 20 16.365 -0.953 -22.677 1.00 62.52 C ATOM 0 H ALA A 20 16.878 -2.693 -21.012 1.00 0.23 H new ATOM 0 HA ALA A 20 15.479 -2.770 -23.458 1.00 50.14 H new ATOM 0 HB1 ALA A 20 16.178 -0.363 -23.574 1.00 62.52 H new ATOM 0 HB2 ALA A 20 15.558 -0.793 -21.963 1.00 62.52 H new ATOM 0 HB3 ALA A 20 17.311 -0.646 -22.231 1.00 62.52 H new ATOM 284 N GLU A 21 18.748 -2.837 -23.746 1.00 63.14 N ATOM 285 CA GLU A 21 19.834 -3.069 -24.706 1.00 21.42 C ATOM 286 C GLU A 21 19.593 -4.330 -25.522 1.00 22.21 C ATOM 287 O GLU A 21 19.913 -4.398 -26.700 1.00 11.15 O ATOM 288 CB GLU A 21 21.157 -3.308 -23.964 1.00 70.23 C ATOM 289 CG GLU A 21 21.857 -2.085 -23.412 1.00 40.43 C ATOM 290 CD GLU A 21 23.167 -2.456 -22.725 1.00 62.51 C ATOM 291 OE1 GLU A 21 23.536 -3.659 -22.689 1.00 64.13 O ATOM 292 OE2 GLU A 21 23.864 -1.539 -22.237 1.00 73.11 O ATOM 0 H GLU A 21 19.047 -2.831 -22.771 1.00 63.14 H new ATOM 0 HA GLU A 21 19.873 -2.188 -25.346 1.00 21.42 H new ATOM 0 HB2 GLU A 21 20.965 -3.992 -23.137 1.00 70.23 H new ATOM 0 HB3 GLU A 21 21.842 -3.814 -24.644 1.00 70.23 H new ATOM 0 HG2 GLU A 21 22.055 -1.381 -24.221 1.00 40.43 H new ATOM 0 HG3 GLU A 21 21.203 -1.579 -22.702 1.00 40.43 H new ATOM 299 N ILE A 22 19.108 -5.355 -24.854 1.00 1.04 N ATOM 300 CA ILE A 22 18.945 -6.653 -25.480 1.00 30.25 C ATOM 301 C ILE A 22 17.652 -6.651 -26.296 1.00 72.20 C ATOM 302 O ILE A 22 17.605 -7.212 -27.389 1.00 74.14 O ATOM 303 CB ILE A 22 18.942 -7.751 -24.395 1.00 30.12 C ATOM 304 CG1 ILE A 22 20.330 -7.778 -23.719 1.00 3.31 C ATOM 305 CG2 ILE A 22 18.617 -9.153 -25.006 1.00 4.51 C ATOM 306 CD1 ILE A 22 20.411 -8.662 -22.489 1.00 32.14 C ATOM 0 H ILE A 22 18.819 -5.316 -23.877 1.00 1.04 H new ATOM 0 HA ILE A 22 19.773 -6.861 -26.157 1.00 30.25 H new ATOM 0 HB ILE A 22 18.168 -7.524 -23.662 1.00 30.12 H new ATOM 0 HG12 ILE A 22 21.068 -8.119 -24.445 1.00 3.31 H new ATOM 0 HG13 ILE A 22 20.604 -6.761 -23.439 1.00 3.31 H new ATOM 0 HG21 ILE A 22 18.623 -9.904 -24.216 1.00 4.51 H new ATOM 0 HG22 ILE A 22 17.633 -9.126 -25.475 1.00 4.51 H new ATOM 0 HG23 ILE A 22 19.368 -9.407 -25.754 1.00 4.51 H new ATOM 0 HD11 ILE A 22 21.420 -8.622 -22.078 1.00 32.14 H new ATOM 0 HD12 ILE A 22 19.700 -8.311 -21.741 1.00 32.14 H new ATOM 0 HD13 ILE A 22 20.171 -9.689 -22.763 1.00 32.14 H new ATOM 318 N LEU A 23 16.594 -6.072 -25.747 1.00 44.22 N ATOM 319 CA LEU A 23 15.280 -6.091 -26.387 1.00 21.42 C ATOM 320 C LEU A 23 15.138 -5.033 -27.484 1.00 44.30 C ATOM 321 O LEU A 23 14.260 -5.126 -28.334 1.00 5.31 O ATOM 322 CB LEU A 23 14.184 -5.899 -25.332 1.00 41.30 C ATOM 323 CG LEU A 23 13.635 -7.154 -24.610 1.00 4.42 C ATOM 324 CD1 LEU A 23 12.910 -8.079 -25.556 1.00 51.44 C ATOM 325 CD2 LEU A 23 14.694 -7.960 -23.845 1.00 52.25 C ATOM 0 H LEU A 23 16.617 -5.579 -24.854 1.00 44.22 H new ATOM 0 HA LEU A 23 15.173 -7.064 -26.867 1.00 21.42 H new ATOM 0 HB2 LEU A 23 14.569 -5.219 -24.572 1.00 41.30 H new ATOM 0 HB3 LEU A 23 13.344 -5.397 -25.812 1.00 41.30 H new ATOM 0 HG LEU A 23 12.939 -6.749 -23.875 1.00 4.42 H new ATOM 0 HD11 LEU A 23 12.542 -8.946 -25.007 1.00 51.44 H new ATOM 0 HD12 LEU A 23 12.070 -7.552 -26.008 1.00 51.44 H new ATOM 0 HD13 LEU A 23 13.594 -8.409 -26.338 1.00 51.44 H new ATOM 0 HD21 LEU A 23 14.223 -8.821 -23.370 1.00 52.25 H new ATOM 0 HD22 LEU A 23 15.461 -8.303 -24.539 1.00 52.25 H new ATOM 0 HD23 LEU A 23 15.150 -7.329 -23.082 1.00 52.25 H new ATOM 337 N GLY A 24 16.003 -4.036 -27.507 1.00 63.15 N ATOM 338 CA GLY A 24 15.946 -3.031 -28.550 1.00 73.14 C ATOM 339 C GLY A 24 14.803 -2.057 -28.397 1.00 64.21 C ATOM 340 O GLY A 24 14.285 -1.536 -29.379 1.00 32.15 O ATOM 0 H GLY A 24 16.747 -3.901 -26.822 1.00 63.15 H new ATOM 0 HA2 GLY A 24 16.884 -2.477 -28.559 1.00 73.14 H new ATOM 0 HA3 GLY A 24 15.860 -3.528 -29.516 1.00 73.14 H new ATOM 344 N VAL A 25 14.394 -1.793 -27.161 1.00 53.02 N ATOM 345 CA VAL A 25 13.254 -0.916 -26.913 1.00 54.32 C ATOM 346 C VAL A 25 13.669 0.465 -26.452 1.00 15.54 C ATOM 347 O VAL A 25 14.747 0.673 -25.894 1.00 64.21 O ATOM 348 CB VAL A 25 12.290 -1.513 -25.852 1.00 22.24 C ATOM 349 CG1 VAL A 25 11.715 -2.815 -26.332 1.00 22.04 C ATOM 350 CG2 VAL A 25 12.998 -1.762 -24.524 1.00 2.31 C ATOM 0 H VAL A 25 14.831 -2.170 -26.320 1.00 53.02 H new ATOM 0 HA VAL A 25 12.744 -0.830 -27.873 1.00 54.32 H new ATOM 0 HB VAL A 25 11.495 -0.782 -25.702 1.00 22.24 H new ATOM 0 HG11 VAL A 25 11.042 -3.217 -25.574 1.00 22.04 H new ATOM 0 HG12 VAL A 25 11.163 -2.650 -27.257 1.00 22.04 H new ATOM 0 HG13 VAL A 25 12.522 -3.524 -26.513 1.00 22.04 H new ATOM 0 HG21 VAL A 25 12.291 -2.180 -23.807 1.00 2.31 H new ATOM 0 HG22 VAL A 25 13.819 -2.463 -24.675 1.00 2.31 H new ATOM 0 HG23 VAL A 25 13.391 -0.821 -24.139 1.00 2.31 H new ATOM 360 N GLU A 26 12.752 1.398 -26.622 1.00 53.51 N ATOM 361 CA GLU A 26 12.936 2.760 -26.192 1.00 64.34 C ATOM 362 C GLU A 26 12.976 2.838 -24.659 1.00 30.21 C ATOM 363 O GLU A 26 13.681 3.680 -24.101 1.00 52.41 O ATOM 364 CB GLU A 26 11.763 3.594 -26.683 1.00 71.31 C ATOM 365 CG GLU A 26 11.718 3.788 -28.179 1.00 72.44 C ATOM 366 CD GLU A 26 10.473 4.551 -28.620 1.00 13.33 C ATOM 367 OE1 GLU A 26 9.401 3.919 -28.783 1.00 50.41 O ATOM 368 OE2 GLU A 26 10.567 5.787 -28.790 1.00 51.02 O ATOM 0 H GLU A 26 11.851 1.224 -27.068 1.00 53.51 H new ATOM 0 HA GLU A 26 13.876 3.133 -26.598 1.00 64.34 H new ATOM 0 HB2 GLU A 26 10.836 3.119 -26.363 1.00 71.31 H new ATOM 0 HB3 GLU A 26 11.802 4.572 -26.203 1.00 71.31 H new ATOM 0 HG2 GLU A 26 12.608 4.329 -28.501 1.00 72.44 H new ATOM 0 HG3 GLU A 26 11.741 2.816 -28.671 1.00 72.44 H new ATOM 375 N ARG A 27 12.196 1.987 -23.994 1.00 63.54 N ATOM 376 CA ARG A 27 12.111 2.012 -22.527 1.00 73.31 C ATOM 377 C ARG A 27 11.579 0.693 -21.980 1.00 1.31 C ATOM 378 O ARG A 27 10.797 0.023 -22.624 1.00 1.02 O ATOM 379 CB ARG A 27 11.150 3.139 -22.095 1.00 70.24 C ATOM 380 CG ARG A 27 11.808 4.272 -21.338 1.00 33.43 C ATOM 381 CD ARG A 27 12.300 3.808 -19.965 1.00 64.10 C ATOM 382 NE ARG A 27 12.920 4.912 -19.199 1.00 13.12 N ATOM 383 CZ ARG A 27 12.257 5.816 -18.484 1.00 72.32 C ATOM 384 NH1 ARG A 27 10.951 5.800 -18.368 1.00 3.21 N ATOM 385 NH2 ARG A 27 12.930 6.755 -17.871 1.00 31.34 N ATOM 0 H ARG A 27 11.617 1.276 -24.440 1.00 63.54 H new ATOM 0 HA ARG A 27 13.114 2.179 -22.133 1.00 73.31 H new ATOM 0 HB2 ARG A 27 10.666 3.546 -22.983 1.00 70.24 H new ATOM 0 HB3 ARG A 27 10.365 2.710 -21.472 1.00 70.24 H new ATOM 0 HG2 ARG A 27 12.647 4.660 -21.916 1.00 33.43 H new ATOM 0 HG3 ARG A 27 11.099 5.091 -21.216 1.00 33.43 H new ATOM 0 HD2 ARG A 27 11.463 3.398 -19.399 1.00 64.10 H new ATOM 0 HD3 ARG A 27 13.024 3.003 -20.092 1.00 64.10 H new ATOM 0 HE ARG A 27 13.937 4.985 -19.221 1.00 13.12 H new ATOM 0 HH11 ARG A 27 10.406 5.076 -18.836 1.00 3.21 H new ATOM 0 HH12 ARG A 27 10.480 6.512 -17.810 1.00 3.21 H new ATOM 0 HH21 ARG A 27 13.947 6.785 -17.946 1.00 31.34 H new ATOM 0 HH22 ARG A 27 12.438 7.457 -17.318 1.00 31.34 H new ATOM 399 N VAL A 28 11.972 0.392 -20.752 1.00 12.14 N ATOM 400 CA VAL A 28 11.499 -0.775 -20.026 1.00 32.43 C ATOM 401 C VAL A 28 10.970 -0.257 -18.698 1.00 55.22 C ATOM 402 O VAL A 28 11.628 0.543 -18.036 1.00 70.10 O ATOM 403 CB VAL A 28 12.667 -1.764 -19.759 1.00 14.32 C ATOM 404 CG1 VAL A 28 12.242 -2.912 -18.828 1.00 31.03 C ATOM 405 CG2 VAL A 28 13.159 -2.345 -21.060 1.00 34.23 C ATOM 0 H VAL A 28 12.637 0.959 -20.226 1.00 12.14 H new ATOM 0 HA VAL A 28 10.736 -1.305 -20.597 1.00 32.43 H new ATOM 0 HB VAL A 28 13.463 -1.202 -19.271 1.00 14.32 H new ATOM 0 HG11 VAL A 28 13.087 -3.581 -18.666 1.00 31.03 H new ATOM 0 HG12 VAL A 28 11.915 -2.503 -17.872 1.00 31.03 H new ATOM 0 HG13 VAL A 28 11.422 -3.466 -19.285 1.00 31.03 H new ATOM 0 HG21 VAL A 28 13.978 -3.037 -20.863 1.00 34.23 H new ATOM 0 HG22 VAL A 28 12.345 -2.877 -21.552 1.00 34.23 H new ATOM 0 HG23 VAL A 28 13.511 -1.542 -21.707 1.00 34.23 H new ATOM 415 N GLY A 29 9.784 -0.699 -18.311 1.00 40.44 N ATOM 416 CA GLY A 29 9.241 -0.369 -17.016 1.00 51.13 C ATOM 417 C GLY A 29 9.807 -1.374 -16.027 1.00 22.34 C ATOM 418 O GLY A 29 10.098 -2.494 -16.384 1.00 25.20 O ATOM 0 H GLY A 29 9.181 -1.290 -18.883 1.00 40.44 H new ATOM 0 HA2 GLY A 29 9.513 0.647 -16.731 1.00 51.13 H new ATOM 0 HA3 GLY A 29 8.152 -0.415 -17.032 1.00 51.13 H new ATOM 422 N VAL A 30 9.958 -0.996 -14.773 1.00 62.04 N ATOM 423 CA VAL A 30 10.534 -1.906 -13.763 1.00 74.34 C ATOM 424 C VAL A 30 9.582 -3.038 -13.400 1.00 20.33 C ATOM 425 O VAL A 30 9.950 -3.954 -12.657 1.00 71.55 O ATOM 426 CB VAL A 30 10.972 -1.161 -12.487 1.00 52.23 C ATOM 427 CG1 VAL A 30 12.053 -0.135 -12.843 1.00 3.35 C ATOM 428 CG2 VAL A 30 9.802 -0.445 -11.794 1.00 72.23 C ATOM 0 H VAL A 30 9.697 -0.077 -14.417 1.00 62.04 H new ATOM 0 HA VAL A 30 11.421 -2.338 -14.227 1.00 74.34 H new ATOM 0 HB VAL A 30 11.360 -1.905 -11.792 1.00 52.23 H new ATOM 0 HG11 VAL A 30 12.364 0.393 -11.942 1.00 3.35 H new ATOM 0 HG12 VAL A 30 12.911 -0.647 -13.278 1.00 3.35 H new ATOM 0 HG13 VAL A 30 11.654 0.580 -13.563 1.00 3.35 H new ATOM 0 HG21 VAL A 30 10.165 0.064 -10.901 1.00 72.23 H new ATOM 0 HG22 VAL A 30 9.367 0.285 -12.476 1.00 72.23 H new ATOM 0 HG23 VAL A 30 9.044 -1.176 -11.513 1.00 72.23 H new ATOM 438 N ASP A 31 8.386 -2.988 -13.958 1.00 34.22 N ATOM 439 CA ASP A 31 7.354 -4.011 -13.764 1.00 2.13 C ATOM 440 C ASP A 31 7.175 -4.872 -15.025 1.00 63.42 C ATOM 441 O ASP A 31 6.343 -5.761 -15.073 1.00 5.15 O ATOM 442 CB ASP A 31 6.019 -3.318 -13.475 1.00 20.11 C ATOM 443 CG ASP A 31 5.063 -4.188 -12.663 1.00 32.52 C ATOM 444 OD1 ASP A 31 5.542 -4.945 -11.792 1.00 21.13 O ATOM 445 OD2 ASP A 31 3.842 -3.908 -12.703 1.00 31.23 O ATOM 0 H ASP A 31 8.092 -2.227 -14.570 1.00 34.22 H new ATOM 0 HA ASP A 31 7.662 -4.650 -12.937 1.00 2.13 H new ATOM 0 HB2 ASP A 31 6.206 -2.390 -12.934 1.00 20.11 H new ATOM 0 HB3 ASP A 31 5.544 -3.047 -14.418 1.00 20.11 H new ATOM 450 N ASP A 32 7.917 -4.555 -16.071 1.00 41.23 N ATOM 451 CA ASP A 32 7.774 -5.241 -17.353 1.00 13.31 C ATOM 452 C ASP A 32 8.527 -6.556 -17.285 1.00 64.22 C ATOM 453 O ASP A 32 9.743 -6.593 -17.019 1.00 15.35 O ATOM 454 CB ASP A 32 8.372 -4.426 -18.512 1.00 45.30 C ATOM 455 CG ASP A 32 7.618 -3.126 -18.798 1.00 71.35 C ATOM 456 OD1 ASP A 32 6.652 -2.770 -18.086 1.00 72.42 O ATOM 457 OD2 ASP A 32 8.087 -2.401 -19.703 1.00 32.13 O ATOM 0 H ASP A 32 8.629 -3.825 -16.062 1.00 41.23 H new ATOM 0 HA ASP A 32 6.709 -5.385 -17.536 1.00 13.31 H new ATOM 0 HB2 ASP A 32 9.411 -4.191 -18.282 1.00 45.30 H new ATOM 0 HB3 ASP A 32 8.376 -5.040 -19.413 1.00 45.30 H new ATOM 462 N ALA A 33 7.811 -7.645 -17.474 1.00 64.24 N ATOM 463 CA ALA A 33 8.443 -8.944 -17.406 1.00 4.11 C ATOM 464 C ALA A 33 9.259 -9.190 -18.675 1.00 53.01 C ATOM 465 O ALA A 33 8.861 -8.751 -19.744 1.00 12.00 O ATOM 466 CB ALA A 33 7.374 -10.027 -17.212 1.00 42.52 C ATOM 0 H ALA A 33 6.811 -7.658 -17.672 1.00 64.24 H new ATOM 0 HA ALA A 33 9.123 -8.980 -16.555 1.00 4.11 H new ATOM 0 HB1 ALA A 33 7.852 -11.005 -17.161 1.00 42.52 H new ATOM 0 HB2 ALA A 33 6.831 -9.840 -16.286 1.00 42.52 H new ATOM 0 HB3 ALA A 33 6.679 -10.006 -18.051 1.00 42.52 H new ATOM 472 N PHE A 34 10.332 -9.961 -18.572 1.00 74.15 N ATOM 473 CA PHE A 34 11.146 -10.308 -19.744 1.00 31.44 C ATOM 474 C PHE A 34 10.288 -11.039 -20.787 1.00 1.21 C ATOM 475 O PHE A 34 10.546 -10.971 -21.981 1.00 24.31 O ATOM 476 CB PHE A 34 12.341 -11.169 -19.312 1.00 10.44 C ATOM 477 CG PHE A 34 13.508 -11.123 -20.265 1.00 60.44 C ATOM 478 CD1 PHE A 34 14.395 -10.036 -20.258 1.00 61.22 C ATOM 479 CD2 PHE A 34 13.742 -12.180 -21.171 1.00 34.54 C ATOM 480 CE1 PHE A 34 15.501 -9.981 -21.140 1.00 30.35 C ATOM 481 CE2 PHE A 34 14.846 -12.144 -22.065 1.00 4.33 C ATOM 482 CZ PHE A 34 15.721 -11.037 -22.048 1.00 53.42 C ATOM 0 H PHE A 34 10.664 -10.361 -17.694 1.00 74.15 H new ATOM 0 HA PHE A 34 11.527 -9.395 -20.201 1.00 31.44 H new ATOM 0 HB2 PHE A 34 12.676 -10.840 -18.328 1.00 10.44 H new ATOM 0 HB3 PHE A 34 12.012 -12.203 -19.207 1.00 10.44 H new ATOM 0 HD1 PHE A 34 14.231 -9.224 -19.565 1.00 61.22 H new ATOM 0 HD2 PHE A 34 13.073 -13.028 -21.185 1.00 34.54 H new ATOM 0 HE1 PHE A 34 16.172 -9.135 -21.117 1.00 30.35 H new ATOM 0 HE2 PHE A 34 15.014 -12.959 -22.753 1.00 4.33 H new ATOM 0 HZ PHE A 34 16.558 -10.999 -22.729 1.00 53.42 H new ATOM 492 N HIS A 35 9.249 -11.711 -20.304 1.00 14.30 N ATOM 493 CA HIS A 35 8.291 -12.379 -21.175 1.00 71.43 C ATOM 494 C HIS A 35 7.357 -11.378 -21.883 1.00 73.13 C ATOM 495 O HIS A 35 7.081 -11.523 -23.060 1.00 42.02 O ATOM 496 CB HIS A 35 7.438 -13.324 -20.334 1.00 30.20 C ATOM 497 CG HIS A 35 6.477 -14.154 -21.138 1.00 43.41 C ATOM 498 ND1 HIS A 35 5.259 -14.585 -20.676 1.00 53.34 N ATOM 499 CD2 HIS A 35 6.557 -14.635 -22.412 1.00 54.10 C ATOM 500 CE1 HIS A 35 4.673 -15.277 -21.642 1.00 33.32 C ATOM 501 NE2 HIS A 35 5.426 -15.347 -22.724 1.00 31.34 N ATOM 0 H HIS A 35 9.049 -11.807 -19.309 1.00 14.30 H new ATOM 0 HA HIS A 35 8.852 -12.919 -21.938 1.00 71.43 H new ATOM 0 HB2 HIS A 35 8.095 -13.988 -19.772 1.00 30.20 H new ATOM 0 HB3 HIS A 35 6.877 -12.740 -19.605 1.00 30.20 H new ATOM 0 HD2 HIS A 35 7.391 -14.478 -23.080 1.00 54.10 H new ATOM 0 HE1 HIS A 35 3.696 -15.730 -21.555 1.00 33.32 H new ATOM 0 HE2 HIS A 35 5.214 -15.825 -23.600 1.00 31.34 H new ATOM 509 N ASP A 36 6.883 -10.372 -21.157 1.00 55.51 N ATOM 510 CA ASP A 36 5.940 -9.375 -21.688 1.00 73.40 C ATOM 511 C ASP A 36 6.620 -8.549 -22.771 1.00 31.51 C ATOM 512 O ASP A 36 6.018 -8.157 -23.757 1.00 63.33 O ATOM 513 CB ASP A 36 5.459 -8.466 -20.537 1.00 13.21 C ATOM 514 CG ASP A 36 4.227 -7.656 -20.909 1.00 12.41 C ATOM 515 OD1 ASP A 36 3.181 -8.284 -21.166 1.00 70.14 O ATOM 516 OD2 ASP A 36 4.256 -6.409 -20.801 1.00 62.20 O ATOM 0 H ASP A 36 7.138 -10.218 -20.181 1.00 55.51 H new ATOM 0 HA ASP A 36 5.079 -9.879 -22.127 1.00 73.40 H new ATOM 0 HB2 ASP A 36 5.237 -9.079 -19.663 1.00 13.21 H new ATOM 0 HB3 ASP A 36 6.264 -7.788 -20.254 1.00 13.21 H new ATOM 521 N LEU A 37 7.917 -8.363 -22.590 1.00 60.21 N ATOM 522 CA LEU A 37 8.762 -7.671 -23.562 1.00 50.10 C ATOM 523 C LEU A 37 9.057 -8.525 -24.807 1.00 70.23 C ATOM 524 O LEU A 37 9.670 -8.049 -25.747 1.00 42.21 O ATOM 525 CB LEU A 37 10.089 -7.251 -22.928 1.00 13.23 C ATOM 526 CG LEU A 37 10.023 -6.178 -21.834 1.00 13.20 C ATOM 527 CD1 LEU A 37 11.391 -6.010 -21.177 1.00 15.30 C ATOM 528 CD2 LEU A 37 9.569 -4.841 -22.384 1.00 52.31 C ATOM 0 H LEU A 37 8.420 -8.687 -21.764 1.00 60.21 H new ATOM 0 HA LEU A 37 8.200 -6.792 -23.877 1.00 50.10 H new ATOM 0 HB2 LEU A 37 10.560 -8.139 -22.505 1.00 13.23 H new ATOM 0 HB3 LEU A 37 10.745 -6.889 -23.720 1.00 13.23 H new ATOM 0 HG LEU A 37 9.293 -6.512 -21.097 1.00 13.20 H new ATOM 0 HD11 LEU A 37 11.331 -5.246 -20.402 1.00 15.30 H new ATOM 0 HD12 LEU A 37 11.699 -6.956 -20.731 1.00 15.30 H new ATOM 0 HD13 LEU A 37 12.121 -5.709 -21.928 1.00 15.30 H new ATOM 0 HD21 LEU A 37 9.535 -4.108 -21.578 1.00 52.31 H new ATOM 0 HD22 LEU A 37 10.269 -4.506 -23.150 1.00 52.31 H new ATOM 0 HD23 LEU A 37 8.576 -4.946 -22.821 1.00 52.31 H new ATOM 540 N GLY A 38 8.653 -9.797 -24.801 1.00 3.23 N ATOM 541 CA GLY A 38 8.882 -10.673 -25.944 1.00 25.34 C ATOM 542 C GLY A 38 10.268 -11.281 -26.017 1.00 30.20 C ATOM 543 O GLY A 38 10.749 -11.631 -27.094 1.00 2.14 O ATOM 0 H GLY A 38 8.168 -10.239 -24.020 1.00 3.23 H new ATOM 0 HA2 GLY A 38 8.149 -11.479 -25.917 1.00 25.34 H new ATOM 0 HA3 GLY A 38 8.701 -10.108 -26.858 1.00 25.34 H new ATOM 547 N GLY A 39 10.926 -11.442 -24.868 1.00 31.55 N ATOM 548 CA GLY A 39 12.251 -12.035 -24.844 1.00 30.13 C ATOM 549 C GLY A 39 12.219 -13.553 -24.959 1.00 44.30 C ATOM 550 O GLY A 39 11.170 -14.178 -24.878 1.00 44.34 O ATOM 0 H GLY A 39 10.563 -11.171 -23.954 1.00 31.55 H new ATOM 0 HA2 GLY A 39 12.843 -11.625 -25.663 1.00 30.13 H new ATOM 0 HA3 GLY A 39 12.753 -11.756 -23.917 1.00 30.13 H new ATOM 554 N SER A 40 13.389 -14.158 -25.114 1.00 32.12 N ATOM 555 CA SER A 40 13.489 -15.616 -25.242 1.00 61.04 C ATOM 556 C SER A 40 14.501 -16.133 -24.237 1.00 61.51 C ATOM 557 O SER A 40 15.332 -15.375 -23.724 1.00 44.43 O ATOM 558 CB SER A 40 13.935 -15.995 -26.657 1.00 40.22 C ATOM 559 OG SER A 40 13.005 -15.525 -27.621 1.00 31.12 O ATOM 0 H SER A 40 14.283 -13.668 -25.155 1.00 32.12 H new ATOM 0 HA SER A 40 12.512 -16.061 -25.051 1.00 61.04 H new ATOM 0 HB2 SER A 40 14.919 -15.572 -26.858 1.00 40.22 H new ATOM 0 HB3 SER A 40 14.031 -17.078 -26.735 1.00 40.22 H new ATOM 0 HG SER A 40 13.309 -15.776 -28.518 1.00 31.12 H new ATOM 565 N SER A 41 14.458 -17.433 -23.951 1.00 61.55 N ATOM 566 CA SER A 41 15.365 -18.038 -22.964 1.00 41.33 C ATOM 567 C SER A 41 16.846 -17.814 -23.294 1.00 72.52 C ATOM 568 O SER A 41 17.668 -17.602 -22.415 1.00 14.23 O ATOM 569 CB SER A 41 15.084 -19.538 -22.862 1.00 1.34 C ATOM 570 OG SER A 41 13.685 -19.758 -22.828 1.00 64.52 O ATOM 0 H SER A 41 13.809 -18.090 -24.384 1.00 61.55 H new ATOM 0 HA SER A 41 15.173 -17.546 -22.011 1.00 41.33 H new ATOM 0 HB2 SER A 41 15.524 -20.059 -23.712 1.00 1.34 H new ATOM 0 HB3 SER A 41 15.548 -19.945 -21.964 1.00 1.34 H new ATOM 0 HG SER A 41 13.507 -20.720 -22.764 1.00 64.52 H new ATOM 576 N ALA A 42 17.168 -17.809 -24.583 1.00 41.25 N ATOM 577 CA ALA A 42 18.533 -17.558 -25.025 1.00 25.51 C ATOM 578 C ALA A 42 18.955 -16.132 -24.639 1.00 54.51 C ATOM 579 O ALA A 42 20.053 -15.913 -24.148 1.00 43.11 O ATOM 580 CB ALA A 42 18.630 -17.741 -26.544 1.00 3.44 C ATOM 0 H ALA A 42 16.503 -17.976 -25.338 1.00 41.25 H new ATOM 0 HA ALA A 42 19.202 -18.268 -24.538 1.00 25.51 H new ATOM 0 HB1 ALA A 42 19.653 -17.552 -26.869 1.00 3.44 H new ATOM 0 HB2 ALA A 42 18.349 -18.761 -26.806 1.00 3.44 H new ATOM 0 HB3 ALA A 42 17.957 -17.040 -27.039 1.00 3.44 H new ATOM 586 N LEU A 43 18.057 -15.176 -24.842 1.00 15.01 N ATOM 587 CA LEU A 43 18.313 -13.775 -24.508 1.00 24.14 C ATOM 588 C LEU A 43 18.395 -13.622 -22.984 1.00 72.42 C ATOM 589 O LEU A 43 19.221 -12.879 -22.489 1.00 65.32 O ATOM 590 CB LEU A 43 17.200 -12.858 -25.062 1.00 65.31 C ATOM 591 CG LEU A 43 17.305 -12.393 -26.523 1.00 13.42 C ATOM 592 CD1 LEU A 43 17.324 -13.568 -27.548 1.00 15.22 C ATOM 593 CD2 LEU A 43 16.097 -11.474 -26.809 1.00 70.11 C ATOM 0 H LEU A 43 17.134 -15.346 -25.241 1.00 15.01 H new ATOM 0 HA LEU A 43 19.257 -13.478 -24.964 1.00 24.14 H new ATOM 0 HB2 LEU A 43 16.250 -13.379 -24.946 1.00 65.31 H new ATOM 0 HB3 LEU A 43 17.155 -11.970 -24.432 1.00 65.31 H new ATOM 0 HG LEU A 43 18.254 -11.871 -26.645 1.00 13.42 H new ATOM 0 HD11 LEU A 43 17.399 -13.168 -28.559 1.00 15.22 H new ATOM 0 HD12 LEU A 43 18.180 -14.212 -27.348 1.00 15.22 H new ATOM 0 HD13 LEU A 43 16.405 -14.147 -27.455 1.00 15.22 H new ATOM 0 HD21 LEU A 43 16.141 -11.125 -27.841 1.00 70.11 H new ATOM 0 HD22 LEU A 43 15.172 -12.030 -26.653 1.00 70.11 H new ATOM 0 HD23 LEU A 43 16.124 -10.618 -26.135 1.00 70.11 H new ATOM 605 N ALA A 44 17.563 -14.353 -22.252 1.00 5.04 N ATOM 606 CA ALA A 44 17.593 -14.327 -20.799 1.00 31.02 C ATOM 607 C ALA A 44 18.938 -14.809 -20.242 1.00 3.01 C ATOM 608 O ALA A 44 19.399 -14.297 -19.238 1.00 22.40 O ATOM 609 CB ALA A 44 16.433 -15.172 -20.232 1.00 63.53 C ATOM 0 H ALA A 44 16.856 -14.974 -22.646 1.00 5.04 H new ATOM 0 HA ALA A 44 17.470 -13.291 -20.482 1.00 31.02 H new ATOM 0 HB1 ALA A 44 16.463 -15.147 -19.143 1.00 63.53 H new ATOM 0 HB2 ALA A 44 15.483 -14.765 -20.578 1.00 63.53 H new ATOM 0 HB3 ALA A 44 16.532 -16.202 -20.574 1.00 63.53 H new ATOM 615 N MET A 45 19.569 -15.777 -20.894 1.00 1.55 N ATOM 616 CA MET A 45 20.902 -16.251 -20.478 1.00 43.23 C ATOM 617 C MET A 45 21.958 -15.198 -20.816 1.00 60.42 C ATOM 618 O MET A 45 22.930 -15.033 -20.091 1.00 4.12 O ATOM 619 CB MET A 45 21.245 -17.576 -21.180 1.00 72.22 C ATOM 620 CG MET A 45 20.410 -18.772 -20.690 1.00 61.53 C ATOM 621 SD MET A 45 20.835 -19.289 -19.001 1.00 4.00 S ATOM 622 CE MET A 45 22.434 -20.085 -19.286 1.00 23.31 C ATOM 0 H MET A 45 19.189 -16.254 -21.712 1.00 1.55 H new ATOM 0 HA MET A 45 20.891 -16.418 -19.401 1.00 43.23 H new ATOM 0 HB2 MET A 45 21.097 -17.457 -22.253 1.00 72.22 H new ATOM 0 HB3 MET A 45 22.302 -17.795 -21.026 1.00 72.22 H new ATOM 0 HG2 MET A 45 19.353 -18.510 -20.729 1.00 61.53 H new ATOM 0 HG3 MET A 45 20.555 -19.612 -21.369 1.00 61.53 H new ATOM 0 HE1 MET A 45 22.728 -20.639 -18.395 1.00 23.31 H new ATOM 0 HE2 MET A 45 22.354 -20.770 -20.130 1.00 23.31 H new ATOM 0 HE3 MET A 45 23.185 -19.326 -19.505 1.00 23.31 H new ATOM 632 N ARG A 46 21.751 -14.463 -21.896 1.00 52.25 N ATOM 633 CA ARG A 46 22.672 -13.374 -22.276 1.00 22.53 C ATOM 634 C ARG A 46 22.535 -12.210 -21.302 1.00 2.05 C ATOM 635 O ARG A 46 23.509 -11.526 -21.005 1.00 75.02 O ATOM 636 CB ARG A 46 22.395 -12.871 -23.698 1.00 31.42 C ATOM 637 CG ARG A 46 22.722 -13.851 -24.825 1.00 15.44 C ATOM 638 CD ARG A 46 24.229 -13.906 -25.118 1.00 30.31 C ATOM 639 NE ARG A 46 24.934 -14.856 -24.259 1.00 43.12 N ATOM 640 CZ ARG A 46 26.246 -14.850 -24.024 1.00 55.22 C ATOM 641 NH1 ARG A 46 27.044 -13.943 -24.534 1.00 12.22 N ATOM 642 NH2 ARG A 46 26.754 -15.769 -23.266 1.00 53.55 N ATOM 0 H ARG A 46 20.962 -14.590 -22.530 1.00 52.25 H new ATOM 0 HA ARG A 46 23.685 -13.775 -22.241 1.00 22.53 H new ATOM 0 HB2 ARG A 46 21.341 -12.603 -23.770 1.00 31.42 H new ATOM 0 HB3 ARG A 46 22.968 -11.958 -23.858 1.00 31.42 H new ATOM 0 HG2 ARG A 46 22.368 -14.846 -24.555 1.00 15.44 H new ATOM 0 HG3 ARG A 46 22.187 -13.557 -25.728 1.00 15.44 H new ATOM 0 HD2 ARG A 46 24.383 -14.182 -26.161 1.00 30.31 H new ATOM 0 HD3 ARG A 46 24.658 -12.913 -24.984 1.00 30.31 H new ATOM 0 HE ARG A 46 24.378 -15.580 -23.804 1.00 43.12 H new ATOM 0 HH11 ARG A 46 26.665 -13.209 -25.133 1.00 12.22 H new ATOM 0 HH12 ARG A 46 28.043 -13.971 -24.331 1.00 12.22 H new ATOM 0 HH21 ARG A 46 26.152 -16.484 -22.858 1.00 53.55 H new ATOM 0 HH22 ARG A 46 27.756 -15.778 -23.077 1.00 53.55 H new ATOM 656 N LEU A 47 21.322 -12.014 -20.807 1.00 45.00 N ATOM 657 CA LEU A 47 21.024 -10.961 -19.838 1.00 24.01 C ATOM 658 C LEU A 47 21.889 -11.143 -18.592 1.00 45.30 C ATOM 659 O LEU A 47 22.428 -10.182 -18.067 1.00 50.52 O ATOM 660 CB LEU A 47 19.536 -10.992 -19.476 1.00 52.13 C ATOM 661 CG LEU A 47 19.083 -9.995 -18.413 1.00 60.12 C ATOM 662 CD1 LEU A 47 19.229 -8.553 -18.860 1.00 34.53 C ATOM 663 CD2 LEU A 47 17.616 -10.322 -18.070 1.00 41.42 C ATOM 0 H LEU A 47 20.513 -12.580 -21.064 1.00 45.00 H new ATOM 0 HA LEU A 47 21.251 -9.990 -20.277 1.00 24.01 H new ATOM 0 HB2 LEU A 47 18.958 -10.813 -20.383 1.00 52.13 H new ATOM 0 HB3 LEU A 47 19.287 -11.996 -19.133 1.00 52.13 H new ATOM 0 HG LEU A 47 19.721 -10.093 -17.535 1.00 60.12 H new ATOM 0 HD11 LEU A 47 18.892 -7.889 -18.064 1.00 34.53 H new ATOM 0 HD12 LEU A 47 20.275 -8.346 -19.086 1.00 34.53 H new ATOM 0 HD13 LEU A 47 18.625 -8.386 -19.752 1.00 34.53 H new ATOM 0 HD21 LEU A 47 17.256 -9.628 -17.311 1.00 41.42 H new ATOM 0 HD22 LEU A 47 17.003 -10.229 -18.967 1.00 41.42 H new ATOM 0 HD23 LEU A 47 17.550 -11.341 -17.690 1.00 41.42 H new ATOM 675 N ILE A 48 22.045 -12.382 -18.148 1.00 52.55 N ATOM 676 CA ILE A 48 22.801 -12.652 -16.926 1.00 44.21 C ATOM 677 C ILE A 48 24.249 -12.199 -17.138 1.00 14.55 C ATOM 678 O ILE A 48 24.837 -11.531 -16.305 1.00 53.20 O ATOM 679 CB ILE A 48 22.792 -14.173 -16.541 1.00 0.21 C ATOM 680 CG1 ILE A 48 21.356 -14.721 -16.545 1.00 31.10 C ATOM 681 CG2 ILE A 48 23.448 -14.369 -15.168 1.00 2.44 C ATOM 682 CD1 ILE A 48 21.225 -16.219 -16.265 1.00 72.20 C ATOM 0 H ILE A 48 21.665 -13.210 -18.607 1.00 52.55 H new ATOM 0 HA ILE A 48 22.328 -12.105 -16.110 1.00 44.21 H new ATOM 0 HB ILE A 48 23.366 -14.729 -17.282 1.00 0.21 H new ATOM 0 HG12 ILE A 48 20.776 -14.177 -15.800 1.00 31.10 H new ATOM 0 HG13 ILE A 48 20.907 -14.509 -17.515 1.00 31.10 H new ATOM 0 HG21 ILE A 48 23.438 -15.427 -14.908 1.00 2.44 H new ATOM 0 HG22 ILE A 48 24.478 -14.014 -15.203 1.00 2.44 H new ATOM 0 HG23 ILE A 48 22.895 -13.805 -14.417 1.00 2.44 H new ATOM 0 HD11 ILE A 48 20.173 -16.503 -16.291 1.00 72.20 H new ATOM 0 HD12 ILE A 48 21.771 -16.780 -17.023 1.00 72.20 H new ATOM 0 HD13 ILE A 48 21.637 -16.443 -15.281 1.00 72.20 H new ATOM 694 N ALA A 49 24.806 -12.537 -18.284 1.00 34.01 N ATOM 695 CA ALA A 49 26.196 -12.181 -18.601 1.00 12.44 C ATOM 696 C ALA A 49 26.415 -10.663 -18.672 1.00 64.45 C ATOM 697 O ALA A 49 27.450 -10.175 -18.227 1.00 22.34 O ATOM 698 CB ALA A 49 26.617 -12.857 -19.910 1.00 12.53 C ATOM 0 H ALA A 49 24.327 -13.058 -19.018 1.00 34.01 H new ATOM 0 HA ALA A 49 26.824 -12.544 -17.787 1.00 12.44 H new ATOM 0 HB1 ALA A 49 27.648 -12.591 -20.142 1.00 12.53 H new ATOM 0 HB2 ALA A 49 26.537 -13.939 -19.803 1.00 12.53 H new ATOM 0 HB3 ALA A 49 25.966 -12.523 -20.718 1.00 12.53 H new ATOM 704 N ARG A 50 25.445 -9.929 -19.226 1.00 62.52 N ATOM 705 CA ARG A 50 25.560 -8.469 -19.341 1.00 35.54 C ATOM 706 C ARG A 50 25.554 -7.864 -17.948 1.00 2.21 C ATOM 707 O ARG A 50 26.359 -7.010 -17.650 1.00 33.42 O ATOM 708 CB ARG A 50 24.410 -7.880 -20.162 1.00 34.13 C ATOM 709 CG ARG A 50 24.506 -8.117 -21.651 1.00 63.03 C ATOM 710 CD ARG A 50 25.647 -7.324 -22.310 1.00 75.42 C ATOM 711 NE ARG A 50 25.511 -5.851 -22.170 1.00 13.53 N ATOM 712 CZ ARG A 50 26.407 -5.032 -21.614 1.00 54.41 C ATOM 713 NH1 ARG A 50 27.558 -5.456 -21.135 1.00 40.24 N ATOM 714 NH2 ARG A 50 26.148 -3.756 -21.528 1.00 73.43 N ATOM 0 H ARG A 50 24.578 -10.316 -19.599 1.00 62.52 H new ATOM 0 HA ARG A 50 26.492 -8.233 -19.855 1.00 35.54 H new ATOM 0 HB2 ARG A 50 23.472 -8.302 -19.801 1.00 34.13 H new ATOM 0 HB3 ARG A 50 24.367 -6.806 -19.982 1.00 34.13 H new ATOM 0 HG2 ARG A 50 24.656 -9.181 -21.836 1.00 63.03 H new ATOM 0 HG3 ARG A 50 23.561 -7.842 -22.119 1.00 63.03 H new ATOM 0 HD2 ARG A 50 26.595 -7.636 -21.871 1.00 75.42 H new ATOM 0 HD3 ARG A 50 25.688 -7.577 -23.369 1.00 75.42 H new ATOM 0 HE ARG A 50 24.656 -5.427 -22.531 1.00 13.53 H new ATOM 0 HH11 ARG A 50 27.795 -6.447 -21.180 1.00 40.24 H new ATOM 0 HH12 ARG A 50 28.212 -4.793 -20.719 1.00 40.24 H new ATOM 0 HH21 ARG A 50 25.265 -3.390 -21.884 1.00 73.43 H new ATOM 0 HH22 ARG A 50 26.828 -3.125 -21.104 1.00 73.43 H new ATOM 728 N ILE A 51 24.646 -8.306 -17.094 1.00 62.14 N ATOM 729 CA ILE A 51 24.584 -7.780 -15.721 1.00 2.52 C ATOM 730 C ILE A 51 25.898 -8.088 -15.013 1.00 65.34 C ATOM 731 O ILE A 51 26.434 -7.233 -14.293 1.00 24.14 O ATOM 732 CB ILE A 51 23.379 -8.389 -14.929 1.00 53.43 C ATOM 733 CG1 ILE A 51 22.048 -7.988 -15.602 1.00 35.22 C ATOM 734 CG2 ILE A 51 23.358 -7.862 -13.473 1.00 70.44 C ATOM 735 CD1 ILE A 51 20.831 -8.835 -15.141 1.00 22.34 C ATOM 0 H ILE A 51 23.947 -9.016 -17.312 1.00 62.14 H new ATOM 0 HA ILE A 51 24.431 -6.702 -15.764 1.00 2.52 H new ATOM 0 HB ILE A 51 23.495 -9.473 -14.927 1.00 53.43 H new ATOM 0 HG12 ILE A 51 21.848 -6.937 -15.392 1.00 35.22 H new ATOM 0 HG13 ILE A 51 22.156 -8.082 -16.683 1.00 35.22 H new ATOM 0 HG21 ILE A 51 22.513 -8.298 -12.940 1.00 70.44 H new ATOM 0 HG22 ILE A 51 24.285 -8.140 -12.972 1.00 70.44 H new ATOM 0 HG23 ILE A 51 23.261 -6.776 -13.480 1.00 70.44 H new ATOM 0 HD11 ILE A 51 19.934 -8.494 -15.657 1.00 22.34 H new ATOM 0 HD12 ILE A 51 21.008 -9.885 -15.376 1.00 22.34 H new ATOM 0 HD13 ILE A 51 20.696 -8.722 -14.065 1.00 22.34 H new ATOM 747 N ARG A 52 26.465 -9.265 -15.241 1.00 43.23 N ATOM 748 CA ARG A 52 27.729 -9.615 -14.611 1.00 13.14 C ATOM 749 C ARG A 52 28.858 -8.709 -15.079 1.00 51.14 C ATOM 750 O ARG A 52 29.683 -8.311 -14.278 1.00 0.42 O ATOM 751 CB ARG A 52 28.056 -11.089 -14.879 1.00 23.04 C ATOM 752 CG ARG A 52 28.759 -11.816 -13.718 1.00 10.04 C ATOM 753 CD ARG A 52 30.243 -11.511 -13.624 1.00 40.34 C ATOM 754 NE ARG A 52 30.938 -11.954 -14.845 1.00 44.44 N ATOM 755 CZ ARG A 52 31.691 -11.183 -15.622 1.00 61.33 C ATOM 756 NH1 ARG A 52 31.903 -9.923 -15.372 1.00 1.04 N ATOM 757 NH2 ARG A 52 32.247 -11.687 -16.675 1.00 4.15 N ATOM 0 H ARG A 52 26.075 -9.985 -15.850 1.00 43.23 H new ATOM 0 HA ARG A 52 27.627 -9.468 -13.536 1.00 13.14 H new ATOM 0 HB2 ARG A 52 27.130 -11.615 -15.111 1.00 23.04 H new ATOM 0 HB3 ARG A 52 28.689 -11.151 -15.764 1.00 23.04 H new ATOM 0 HG2 ARG A 52 28.278 -11.537 -12.780 1.00 10.04 H new ATOM 0 HG3 ARG A 52 28.624 -12.891 -13.838 1.00 10.04 H new ATOM 0 HD2 ARG A 52 30.392 -10.441 -13.481 1.00 40.34 H new ATOM 0 HD3 ARG A 52 30.669 -12.011 -12.754 1.00 40.34 H new ATOM 0 HE ARG A 52 30.833 -12.932 -15.116 1.00 44.44 H new ATOM 0 HH11 ARG A 52 31.483 -9.488 -14.550 1.00 1.04 H new ATOM 0 HH12 ARG A 52 32.489 -9.370 -15.998 1.00 1.04 H new ATOM 0 HH21 ARG A 52 32.106 -12.671 -16.905 1.00 4.15 H new ATOM 0 HH22 ARG A 52 32.826 -11.101 -17.276 1.00 4.15 H new ATOM 771 N GLU A 53 28.898 -8.360 -16.354 1.00 3.21 N ATOM 772 CA GLU A 53 29.974 -7.479 -16.854 1.00 5.23 C ATOM 773 C GLU A 53 29.860 -6.043 -16.333 1.00 21.22 C ATOM 774 O GLU A 53 30.867 -5.416 -16.025 1.00 62.51 O ATOM 775 CB GLU A 53 29.972 -7.467 -18.391 1.00 60.32 C ATOM 776 CG GLU A 53 30.717 -8.650 -19.015 1.00 41.33 C ATOM 777 CD GLU A 53 32.226 -8.551 -18.827 1.00 20.44 C ATOM 778 OE1 GLU A 53 32.846 -7.637 -19.416 1.00 55.14 O ATOM 779 OE2 GLU A 53 32.799 -9.417 -18.125 1.00 64.32 O ATOM 0 H GLU A 53 28.222 -8.657 -17.058 1.00 3.21 H new ATOM 0 HA GLU A 53 30.913 -7.887 -16.479 1.00 5.23 H new ATOM 0 HB2 GLU A 53 28.941 -7.471 -18.745 1.00 60.32 H new ATOM 0 HB3 GLU A 53 30.425 -6.539 -18.739 1.00 60.32 H new ATOM 0 HG2 GLU A 53 30.358 -9.578 -18.569 1.00 41.33 H new ATOM 0 HG3 GLU A 53 30.489 -8.699 -20.080 1.00 41.33 H new ATOM 786 N GLU A 54 28.645 -5.524 -16.260 1.00 20.53 N ATOM 787 CA GLU A 54 28.440 -4.143 -15.875 1.00 12.02 C ATOM 788 C GLU A 54 28.466 -3.907 -14.358 1.00 70.43 C ATOM 789 O GLU A 54 29.082 -2.959 -13.883 1.00 72.24 O ATOM 790 CB GLU A 54 27.081 -3.658 -16.430 1.00 52.20 C ATOM 791 CG GLU A 54 27.005 -3.693 -17.957 1.00 63.43 C ATOM 792 CD GLU A 54 28.031 -2.811 -18.641 1.00 75.34 C ATOM 793 OE1 GLU A 54 28.366 -1.751 -18.092 1.00 24.21 O ATOM 794 OE2 GLU A 54 28.472 -3.176 -19.758 1.00 12.15 O ATOM 0 H GLU A 54 27.789 -6.040 -16.463 1.00 20.53 H new ATOM 0 HA GLU A 54 29.274 -3.580 -16.295 1.00 12.02 H new ATOM 0 HB2 GLU A 54 26.286 -4.280 -16.019 1.00 52.20 H new ATOM 0 HB3 GLU A 54 26.899 -2.639 -16.087 1.00 52.20 H new ATOM 0 HG2 GLU A 54 27.140 -4.721 -18.295 1.00 63.43 H new ATOM 0 HG3 GLU A 54 26.008 -3.383 -18.269 1.00 63.43 H new ATOM 801 N LEU A 55 27.806 -4.772 -13.603 1.00 25.31 N ATOM 802 CA LEU A 55 27.668 -4.587 -12.157 1.00 40.43 C ATOM 803 C LEU A 55 28.508 -5.571 -11.316 1.00 64.15 C ATOM 804 O LEU A 55 28.678 -5.369 -10.120 1.00 42.21 O ATOM 805 CB LEU A 55 26.198 -4.726 -11.755 1.00 5.03 C ATOM 806 CG LEU A 55 25.329 -3.448 -11.794 1.00 45.21 C ATOM 807 CD1 LEU A 55 25.733 -2.445 -10.708 1.00 0.32 C ATOM 808 CD2 LEU A 55 25.330 -2.758 -13.150 1.00 51.14 C ATOM 0 H LEU A 55 27.355 -5.613 -13.964 1.00 25.31 H new ATOM 0 HA LEU A 55 28.045 -3.586 -11.946 1.00 40.43 H new ATOM 0 HB2 LEU A 55 25.738 -5.467 -12.409 1.00 5.03 H new ATOM 0 HB3 LEU A 55 26.162 -5.128 -10.743 1.00 5.03 H new ATOM 0 HG LEU A 55 24.314 -3.794 -11.601 1.00 45.21 H new ATOM 0 HD11 LEU A 55 25.096 -1.563 -10.773 1.00 0.32 H new ATOM 0 HD12 LEU A 55 25.617 -2.905 -9.727 1.00 0.32 H new ATOM 0 HD13 LEU A 55 26.773 -2.153 -10.851 1.00 0.32 H new ATOM 0 HD21 LEU A 55 24.701 -1.869 -13.106 1.00 51.14 H new ATOM 0 HD22 LEU A 55 26.348 -2.469 -13.411 1.00 51.14 H new ATOM 0 HD23 LEU A 55 24.942 -3.441 -13.906 1.00 51.14 H new ATOM 820 N GLY A 56 29.021 -6.624 -11.927 1.00 34.35 N ATOM 821 CA GLY A 56 29.853 -7.584 -11.201 1.00 63.44 C ATOM 822 C GLY A 56 29.077 -8.539 -10.299 1.00 71.31 C ATOM 823 O GLY A 56 29.649 -9.096 -9.358 1.00 4.54 O ATOM 0 H GLY A 56 28.882 -6.840 -12.914 1.00 34.35 H new ATOM 0 HA2 GLY A 56 30.424 -8.169 -11.922 1.00 63.44 H new ATOM 0 HA3 GLY A 56 30.573 -7.035 -10.594 1.00 63.44 H new ATOM 827 N VAL A 57 27.784 -8.742 -10.569 1.00 31.13 N ATOM 828 CA VAL A 57 26.943 -9.618 -9.753 1.00 12.25 C ATOM 829 C VAL A 57 26.359 -10.716 -10.649 1.00 60.12 C ATOM 830 O VAL A 57 26.168 -10.522 -11.849 1.00 34.12 O ATOM 831 CB VAL A 57 25.782 -8.835 -9.046 1.00 4.42 C ATOM 832 CG1 VAL A 57 26.371 -7.837 -8.018 1.00 35.25 C ATOM 833 CG2 VAL A 57 24.900 -8.091 -10.063 1.00 31.30 C ATOM 0 H VAL A 57 27.296 -8.308 -11.352 1.00 31.13 H new ATOM 0 HA VAL A 57 27.563 -10.051 -8.968 1.00 12.25 H new ATOM 0 HB VAL A 57 25.152 -9.559 -8.530 1.00 4.42 H new ATOM 0 HG11 VAL A 57 25.560 -7.296 -7.530 1.00 35.25 H new ATOM 0 HG12 VAL A 57 26.945 -8.382 -7.269 1.00 35.25 H new ATOM 0 HG13 VAL A 57 27.023 -7.129 -8.530 1.00 35.25 H new ATOM 0 HG21 VAL A 57 24.107 -7.560 -9.537 1.00 31.30 H new ATOM 0 HG22 VAL A 57 25.508 -7.377 -10.618 1.00 31.30 H new ATOM 0 HG23 VAL A 57 24.459 -8.808 -10.756 1.00 31.30 H new ATOM 843 N ASP A 58 26.129 -11.893 -10.090 1.00 1.45 N ATOM 844 CA ASP A 58 25.675 -13.062 -10.843 1.00 35.11 C ATOM 845 C ASP A 58 24.395 -13.611 -10.215 1.00 45.41 C ATOM 846 O ASP A 58 24.168 -13.453 -9.013 1.00 2.44 O ATOM 847 CB ASP A 58 26.788 -14.128 -10.839 1.00 72.13 C ATOM 848 CG ASP A 58 26.588 -15.202 -11.915 1.00 11.14 C ATOM 849 OD1 ASP A 58 25.664 -15.059 -12.760 1.00 22.23 O ATOM 850 OD2 ASP A 58 27.352 -16.178 -11.922 1.00 74.43 O ATOM 0 H ASP A 58 26.252 -12.070 -9.093 1.00 1.45 H new ATOM 0 HA ASP A 58 25.459 -12.782 -11.874 1.00 35.11 H new ATOM 0 HB2 ASP A 58 27.751 -13.641 -10.993 1.00 72.13 H new ATOM 0 HB3 ASP A 58 26.825 -14.604 -9.859 1.00 72.13 H new ATOM 855 N LEU A 59 23.538 -14.189 -11.045 1.00 41.50 N ATOM 856 CA LEU A 59 22.255 -14.706 -10.592 1.00 74.15 C ATOM 857 C LEU A 59 21.885 -15.937 -11.438 1.00 52.31 C ATOM 858 O LEU A 59 21.909 -15.874 -12.672 1.00 14.21 O ATOM 859 CB LEU A 59 21.193 -13.615 -10.785 1.00 63.54 C ATOM 860 CG LEU A 59 19.810 -13.929 -10.187 1.00 3.23 C ATOM 861 CD1 LEU A 59 19.601 -13.165 -8.886 1.00 24.25 C ATOM 862 CD2 LEU A 59 18.713 -13.580 -11.200 1.00 14.22 C ATOM 0 H LEU A 59 23.710 -14.312 -12.043 1.00 41.50 H new ATOM 0 HA LEU A 59 22.309 -14.989 -9.541 1.00 74.15 H new ATOM 0 HB2 LEU A 59 21.561 -12.690 -10.341 1.00 63.54 H new ATOM 0 HB3 LEU A 59 21.075 -13.431 -11.853 1.00 63.54 H new ATOM 0 HG LEU A 59 19.758 -14.995 -9.964 1.00 3.23 H new ATOM 0 HD11 LEU A 59 18.618 -13.401 -8.480 1.00 24.25 H new ATOM 0 HD12 LEU A 59 20.369 -13.452 -8.168 1.00 24.25 H new ATOM 0 HD13 LEU A 59 19.667 -12.094 -9.078 1.00 24.25 H new ATOM 0 HD21 LEU A 59 17.737 -13.805 -10.771 1.00 14.22 H new ATOM 0 HD22 LEU A 59 18.767 -12.519 -11.444 1.00 14.22 H new ATOM 0 HD23 LEU A 59 18.855 -14.168 -12.107 1.00 14.22 H new ATOM 874 N PRO A 60 21.508 -17.070 -10.807 1.00 3.31 N ATOM 875 CA PRO A 60 21.133 -18.179 -11.696 1.00 30.43 C ATOM 876 C PRO A 60 19.808 -17.933 -12.424 1.00 35.14 C ATOM 877 O PRO A 60 18.903 -17.264 -11.901 1.00 44.23 O ATOM 878 CB PRO A 60 20.997 -19.359 -10.731 1.00 13.14 C ATOM 879 CG PRO A 60 20.570 -18.735 -9.449 1.00 14.52 C ATOM 880 CD PRO A 60 21.373 -17.448 -9.387 1.00 14.33 C ATOM 0 HA PRO A 60 21.864 -18.330 -12.491 1.00 30.43 H new ATOM 0 HB2 PRO A 60 20.262 -20.081 -11.086 1.00 13.14 H new ATOM 0 HB3 PRO A 60 21.941 -19.893 -10.619 1.00 13.14 H new ATOM 0 HG2 PRO A 60 19.498 -18.538 -9.437 1.00 14.52 H new ATOM 0 HG3 PRO A 60 20.785 -19.382 -8.598 1.00 14.52 H new ATOM 0 HD2 PRO A 60 20.858 -16.679 -8.812 1.00 14.33 H new ATOM 0 HD3 PRO A 60 22.344 -17.601 -8.916 1.00 14.33 H new ATOM 888 N ILE A 61 19.670 -18.526 -13.601 1.00 13.33 N ATOM 889 CA ILE A 61 18.452 -18.423 -14.425 1.00 74.54 C ATOM 890 C ILE A 61 17.198 -18.900 -13.666 1.00 12.01 C ATOM 891 O ILE A 61 16.084 -18.453 -13.926 1.00 30.44 O ATOM 892 CB ILE A 61 18.681 -19.225 -15.757 1.00 64.34 C ATOM 893 CG1 ILE A 61 17.559 -18.955 -16.771 1.00 13.01 C ATOM 894 CG2 ILE A 61 18.791 -20.773 -15.491 1.00 11.23 C ATOM 895 CD1 ILE A 61 17.538 -17.540 -17.346 1.00 73.04 C ATOM 0 H ILE A 61 20.400 -19.099 -14.023 1.00 13.33 H new ATOM 0 HA ILE A 61 18.266 -17.376 -14.665 1.00 74.54 H new ATOM 0 HB ILE A 61 19.626 -18.877 -16.175 1.00 64.34 H new ATOM 0 HG12 ILE A 61 17.654 -19.664 -17.593 1.00 13.01 H new ATOM 0 HG13 ILE A 61 16.600 -19.150 -16.291 1.00 13.01 H new ATOM 0 HG21 ILE A 61 18.949 -21.294 -16.435 1.00 11.23 H new ATOM 0 HG22 ILE A 61 19.630 -20.969 -14.824 1.00 11.23 H new ATOM 0 HG23 ILE A 61 17.870 -21.129 -15.030 1.00 11.23 H new ATOM 0 HD11 ILE A 61 16.712 -17.446 -18.051 1.00 73.04 H new ATOM 0 HD12 ILE A 61 17.408 -16.821 -16.537 1.00 73.04 H new ATOM 0 HD13 ILE A 61 18.478 -17.342 -17.860 1.00 73.04 H new ATOM 907 N ARG A 62 17.401 -19.758 -12.674 1.00 1.13 N ATOM 908 CA ARG A 62 16.298 -20.251 -11.863 1.00 74.44 C ATOM 909 C ARG A 62 15.647 -19.157 -11.025 1.00 10.32 C ATOM 910 O ARG A 62 14.447 -19.164 -10.817 1.00 54.52 O ATOM 911 CB ARG A 62 16.798 -21.388 -10.960 1.00 11.35 C ATOM 912 CG ARG A 62 15.664 -22.214 -10.357 1.00 32.32 C ATOM 913 CD ARG A 62 16.157 -23.618 -10.035 1.00 40.13 C ATOM 914 NE ARG A 62 17.153 -23.667 -8.946 1.00 2.23 N ATOM 915 CZ ARG A 62 17.814 -24.757 -8.573 1.00 21.12 C ATOM 916 NH1 ARG A 62 17.661 -25.916 -9.177 1.00 71.11 N ATOM 917 NH2 ARG A 62 18.662 -24.674 -7.584 1.00 63.45 N ATOM 0 H ARG A 62 18.316 -20.125 -12.413 1.00 1.13 H new ATOM 0 HA ARG A 62 15.530 -20.621 -12.542 1.00 74.44 H new ATOM 0 HB2 ARG A 62 17.450 -22.043 -11.538 1.00 11.35 H new ATOM 0 HB3 ARG A 62 17.401 -20.967 -10.155 1.00 11.35 H new ATOM 0 HG2 ARG A 62 15.294 -21.733 -9.452 1.00 32.32 H new ATOM 0 HG3 ARG A 62 14.828 -22.264 -11.055 1.00 32.32 H new ATOM 0 HD2 ARG A 62 15.304 -24.238 -9.762 1.00 40.13 H new ATOM 0 HD3 ARG A 62 16.594 -24.054 -10.933 1.00 40.13 H new ATOM 0 HE ARG A 62 17.348 -22.801 -8.444 1.00 2.23 H new ATOM 0 HH11 ARG A 62 17.016 -26.001 -9.962 1.00 71.11 H new ATOM 0 HH12 ARG A 62 18.188 -26.730 -8.860 1.00 71.11 H new ATOM 0 HH21 ARG A 62 18.808 -23.782 -7.111 1.00 63.45 H new ATOM 0 HH22 ARG A 62 19.178 -25.501 -7.284 1.00 63.45 H new ATOM 931 N GLN A 63 16.441 -18.214 -10.543 1.00 33.30 N ATOM 932 CA GLN A 63 15.892 -17.121 -9.777 1.00 54.40 C ATOM 933 C GLN A 63 15.253 -16.098 -10.706 1.00 72.43 C ATOM 934 O GLN A 63 14.262 -15.468 -10.358 1.00 15.23 O ATOM 935 CB GLN A 63 16.947 -16.420 -8.911 1.00 43.11 C ATOM 936 CG GLN A 63 17.207 -17.114 -7.566 1.00 42.30 C ATOM 937 CD GLN A 63 18.172 -16.323 -6.706 1.00 61.41 C ATOM 938 OE1 GLN A 63 19.351 -16.242 -7.010 1.00 43.13 O ATOM 939 NE2 GLN A 63 17.687 -15.780 -5.615 1.00 33.44 N ATOM 0 H GLN A 63 17.453 -18.188 -10.669 1.00 33.30 H new ATOM 0 HA GLN A 63 15.143 -17.550 -9.111 1.00 54.40 H new ATOM 0 HB2 GLN A 63 17.882 -16.366 -9.468 1.00 43.11 H new ATOM 0 HB3 GLN A 63 16.627 -15.395 -8.724 1.00 43.11 H new ATOM 0 HG2 GLN A 63 16.264 -17.241 -7.033 1.00 42.30 H new ATOM 0 HG3 GLN A 63 17.610 -18.111 -7.743 1.00 42.30 H new ATOM 0 HE21 GLN A 63 16.695 -15.871 -5.398 1.00 33.44 H new ATOM 0 HE22 GLN A 63 18.302 -15.267 -4.984 1.00 33.44 H new ATOM 948 N LEU A 64 15.784 -15.985 -11.907 1.00 73.32 N ATOM 949 CA LEU A 64 15.253 -15.043 -12.888 1.00 11.40 C ATOM 950 C LEU A 64 13.847 -15.442 -13.292 1.00 23.40 C ATOM 951 O LEU A 64 12.975 -14.589 -13.453 1.00 2.02 O ATOM 952 CB LEU A 64 16.169 -14.983 -14.120 1.00 22.22 C ATOM 953 CG LEU A 64 16.539 -13.569 -14.630 1.00 24.35 C ATOM 954 CD1 LEU A 64 17.588 -13.713 -15.720 1.00 73.12 C ATOM 955 CD2 LEU A 64 15.340 -12.777 -15.151 1.00 25.55 C ATOM 0 H LEU A 64 16.582 -16.530 -12.233 1.00 73.32 H new ATOM 0 HA LEU A 64 15.216 -14.052 -12.436 1.00 11.40 H new ATOM 0 HB2 LEU A 64 17.091 -15.515 -13.887 1.00 22.22 H new ATOM 0 HB3 LEU A 64 15.685 -15.524 -14.933 1.00 22.22 H new ATOM 0 HG LEU A 64 16.926 -13.000 -13.784 1.00 24.35 H new ATOM 0 HD11 LEU A 64 17.863 -12.726 -16.093 1.00 73.12 H new ATOM 0 HD12 LEU A 64 18.471 -14.206 -15.313 1.00 73.12 H new ATOM 0 HD13 LEU A 64 17.184 -14.310 -16.537 1.00 73.12 H new ATOM 0 HD21 LEU A 64 15.672 -11.796 -15.492 1.00 25.55 H new ATOM 0 HD22 LEU A 64 14.882 -13.314 -15.982 1.00 25.55 H new ATOM 0 HD23 LEU A 64 14.609 -12.655 -14.351 1.00 25.55 H new ATOM 967 N PHE A 65 13.590 -16.739 -13.393 1.00 65.43 N ATOM 968 CA PHE A 65 12.250 -17.191 -13.747 1.00 1.12 C ATOM 969 C PHE A 65 11.234 -16.984 -12.611 1.00 61.25 C ATOM 970 O PHE A 65 10.032 -16.911 -12.851 1.00 34.31 O ATOM 971 CB PHE A 65 12.264 -18.656 -14.173 1.00 10.03 C ATOM 972 CG PHE A 65 12.363 -18.834 -15.660 1.00 1.23 C ATOM 973 CD1 PHE A 65 11.209 -18.807 -16.445 1.00 53.51 C ATOM 974 CD2 PHE A 65 13.614 -19.001 -16.288 1.00 62.44 C ATOM 975 CE1 PHE A 65 11.287 -18.944 -17.849 1.00 21.41 C ATOM 976 CE2 PHE A 65 13.705 -19.130 -17.684 1.00 0.23 C ATOM 977 CZ PHE A 65 12.539 -19.099 -18.468 1.00 41.33 C ATOM 0 H PHE A 65 14.272 -17.481 -13.239 1.00 65.43 H new ATOM 0 HA PHE A 65 11.930 -16.574 -14.587 1.00 1.12 H new ATOM 0 HB2 PHE A 65 13.105 -19.159 -13.696 1.00 10.03 H new ATOM 0 HB3 PHE A 65 11.356 -19.142 -13.814 1.00 10.03 H new ATOM 0 HD1 PHE A 65 10.246 -18.680 -15.974 1.00 53.51 H new ATOM 0 HD2 PHE A 65 14.512 -19.030 -15.689 1.00 62.44 H new ATOM 0 HE1 PHE A 65 10.387 -18.930 -18.445 1.00 21.41 H new ATOM 0 HE2 PHE A 65 14.670 -19.253 -18.154 1.00 0.23 H new ATOM 0 HZ PHE A 65 12.605 -19.194 -19.542 1.00 41.33 H new ATOM 987 N SER A 66 11.736 -16.832 -11.393 1.00 24.02 N ATOM 988 CA SER A 66 10.895 -16.516 -10.241 1.00 70.30 C ATOM 989 C SER A 66 10.789 -15.004 -10.034 1.00 71.03 C ATOM 990 O SER A 66 10.129 -14.542 -9.097 1.00 71.14 O ATOM 991 CB SER A 66 11.497 -17.143 -8.992 1.00 71.40 C ATOM 992 OG SER A 66 11.600 -18.547 -9.148 1.00 4.55 O ATOM 0 H SER A 66 12.728 -16.923 -11.174 1.00 24.02 H new ATOM 0 HA SER A 66 9.897 -16.914 -10.426 1.00 70.30 H new ATOM 0 HB2 SER A 66 12.483 -16.718 -8.802 1.00 71.40 H new ATOM 0 HB3 SER A 66 10.878 -16.911 -8.126 1.00 71.40 H new ATOM 0 HG SER A 66 12.431 -18.764 -9.621 1.00 4.55 H new ATOM 998 N SER A 67 11.479 -14.236 -10.854 1.00 20.34 N ATOM 999 CA SER A 67 11.522 -12.777 -10.742 1.00 72.13 C ATOM 1000 C SER A 67 11.832 -12.164 -12.113 1.00 62.10 C ATOM 1001 O SER A 67 12.929 -11.666 -12.326 1.00 12.51 O ATOM 1002 CB SER A 67 12.609 -12.396 -9.746 1.00 21.41 C ATOM 1003 OG SER A 67 12.277 -12.907 -8.465 1.00 60.52 O ATOM 0 H SER A 67 12.034 -14.603 -11.627 1.00 20.34 H new ATOM 0 HA SER A 67 10.559 -12.400 -10.398 1.00 72.13 H new ATOM 0 HB2 SER A 67 13.570 -12.795 -10.070 1.00 21.41 H new ATOM 0 HB3 SER A 67 12.712 -11.312 -9.701 1.00 21.41 H new ATOM 0 HG SER A 67 12.977 -12.663 -7.824 1.00 60.52 H new ATOM 1009 N PRO A 68 10.886 -12.242 -13.068 1.00 63.53 N ATOM 1010 CA PRO A 68 11.192 -11.792 -14.440 1.00 52.24 C ATOM 1011 C PRO A 68 11.195 -10.284 -14.698 1.00 51.24 C ATOM 1012 O PRO A 68 11.584 -9.864 -15.778 1.00 33.01 O ATOM 1013 CB PRO A 68 10.077 -12.438 -15.243 1.00 2.13 C ATOM 1014 CG PRO A 68 8.918 -12.419 -14.325 1.00 31.11 C ATOM 1015 CD PRO A 68 9.530 -12.816 -12.999 1.00 34.44 C ATOM 0 HA PRO A 68 12.215 -12.070 -14.693 1.00 52.24 H new ATOM 0 HB2 PRO A 68 9.871 -11.883 -16.158 1.00 2.13 H new ATOM 0 HB3 PRO A 68 10.335 -13.455 -15.539 1.00 2.13 H new ATOM 0 HG2 PRO A 68 8.456 -11.433 -14.278 1.00 31.11 H new ATOM 0 HG3 PRO A 68 8.143 -13.119 -14.638 1.00 31.11 H new ATOM 0 HD2 PRO A 68 8.965 -12.414 -12.158 1.00 34.44 H new ATOM 0 HD3 PRO A 68 9.557 -13.899 -12.876 1.00 34.44 H new ATOM 1023 N THR A 69 10.748 -9.489 -13.732 1.00 43.43 N ATOM 1024 CA THR A 69 10.721 -8.048 -13.884 1.00 64.45 C ATOM 1025 C THR A 69 11.984 -7.461 -13.275 1.00 35.43 C ATOM 1026 O THR A 69 12.536 -8.045 -12.339 1.00 32.22 O ATOM 1027 CB THR A 69 9.510 -7.431 -13.137 1.00 50.23 C ATOM 1028 OG1 THR A 69 9.579 -7.747 -11.746 1.00 23.11 O ATOM 1029 CG2 THR A 69 8.181 -7.943 -13.682 1.00 14.41 C ATOM 0 H THR A 69 10.399 -9.825 -12.834 1.00 43.43 H new ATOM 0 HA THR A 69 10.647 -7.821 -14.948 1.00 64.45 H new ATOM 0 HB THR A 69 9.558 -6.353 -13.289 1.00 50.23 H new ATOM 0 HG1 THR A 69 8.811 -7.352 -11.282 1.00 23.11 H new ATOM 0 HG21 THR A 69 7.361 -7.485 -13.130 1.00 14.41 H new ATOM 0 HG22 THR A 69 8.097 -7.685 -14.738 1.00 14.41 H new ATOM 0 HG23 THR A 69 8.134 -9.026 -13.569 1.00 14.41 H new ATOM 1037 N PRO A 70 12.450 -6.280 -13.753 1.00 60.04 N ATOM 1038 CA PRO A 70 13.613 -5.691 -13.073 1.00 31.22 C ATOM 1039 C PRO A 70 13.467 -5.544 -11.571 1.00 14.42 C ATOM 1040 O PRO A 70 14.430 -5.729 -10.845 1.00 71.25 O ATOM 1041 CB PRO A 70 13.750 -4.288 -13.730 1.00 73.44 C ATOM 1042 CG PRO A 70 13.180 -4.508 -15.077 1.00 51.52 C ATOM 1043 CD PRO A 70 12.008 -5.445 -14.881 1.00 2.42 C ATOM 0 HA PRO A 70 14.481 -6.341 -13.188 1.00 31.22 H new ATOM 0 HB2 PRO A 70 13.201 -3.526 -13.177 1.00 73.44 H new ATOM 0 HB3 PRO A 70 14.789 -3.962 -13.777 1.00 73.44 H new ATOM 0 HG2 PRO A 70 12.858 -3.567 -15.524 1.00 51.52 H new ATOM 0 HG3 PRO A 70 13.920 -4.943 -15.749 1.00 51.52 H new ATOM 0 HD2 PRO A 70 11.091 -4.904 -14.650 1.00 2.42 H new ATOM 0 HD3 PRO A 70 11.811 -6.040 -15.773 1.00 2.42 H new ATOM 1051 N ALA A 71 12.297 -5.115 -11.104 1.00 33.02 N ATOM 1052 CA ALA A 71 12.127 -4.906 -9.726 1.00 14.11 C ATOM 1053 C ALA A 71 12.221 -6.230 -8.923 1.00 51.51 C ATOM 1054 O ALA A 71 12.702 -6.314 -7.789 1.00 54.20 O ATOM 1055 CB ALA A 71 10.778 -4.229 -9.414 1.00 54.31 C ATOM 0 H ALA A 71 11.478 -4.916 -11.678 1.00 33.02 H new ATOM 0 HA ALA A 71 12.939 -4.247 -9.420 1.00 14.11 H new ATOM 0 HB1 ALA A 71 10.684 -4.084 -8.338 1.00 54.31 H new ATOM 0 HB2 ALA A 71 10.731 -3.262 -9.916 1.00 54.31 H new ATOM 0 HB3 ALA A 71 9.963 -4.861 -9.768 1.00 54.31 H new ATOM 1061 N GLY A 72 11.817 -7.297 -9.601 1.00 61.33 N ATOM 1062 CA GLY A 72 11.888 -8.621 -9.007 1.00 25.22 C ATOM 1063 C GLY A 72 13.317 -9.095 -8.876 1.00 44.45 C ATOM 1064 O GLY A 72 13.683 -9.688 -7.865 1.00 32.41 O ATOM 0 H GLY A 72 11.442 -7.271 -10.549 1.00 61.33 H new ATOM 0 HA2 GLY A 72 11.418 -8.605 -8.024 1.00 25.22 H new ATOM 0 HA3 GLY A 72 11.325 -9.326 -9.619 1.00 25.22 H new ATOM 1068 N VAL A 73 14.145 -8.847 -9.888 1.00 0.33 N ATOM 1069 CA VAL A 73 15.554 -9.272 -9.852 1.00 44.03 C ATOM 1070 C VAL A 73 16.296 -8.476 -8.775 1.00 51.32 C ATOM 1071 O VAL A 73 17.149 -9.012 -8.061 1.00 2.12 O ATOM 1072 CB VAL A 73 16.253 -9.074 -11.243 1.00 53.14 C ATOM 1073 CG1 VAL A 73 17.735 -9.477 -11.185 1.00 60.44 C ATOM 1074 CG2 VAL A 73 15.540 -9.899 -12.316 1.00 10.32 C ATOM 0 H VAL A 73 13.873 -8.358 -10.741 1.00 0.33 H new ATOM 0 HA VAL A 73 15.585 -10.336 -9.616 1.00 44.03 H new ATOM 0 HB VAL A 73 16.193 -8.016 -11.497 1.00 53.14 H new ATOM 0 HG11 VAL A 73 18.191 -9.328 -12.164 1.00 60.44 H new ATOM 0 HG12 VAL A 73 18.251 -8.862 -10.447 1.00 60.44 H new ATOM 0 HG13 VAL A 73 17.816 -10.527 -10.903 1.00 60.44 H new ATOM 0 HG21 VAL A 73 16.035 -9.753 -13.276 1.00 10.32 H new ATOM 0 HG22 VAL A 73 15.575 -10.955 -12.047 1.00 10.32 H new ATOM 0 HG23 VAL A 73 14.501 -9.578 -12.391 1.00 10.32 H new ATOM 1084 N ALA A 74 15.984 -7.190 -8.661 1.00 22.32 N ATOM 1085 CA ALA A 74 16.696 -6.302 -7.739 1.00 50.24 C ATOM 1086 C ALA A 74 16.633 -6.760 -6.283 1.00 41.20 C ATOM 1087 O ALA A 74 17.630 -6.713 -5.580 1.00 33.13 O ATOM 1088 CB ALA A 74 16.161 -4.909 -7.864 1.00 3.42 C ATOM 0 H ALA A 74 15.243 -6.735 -9.194 1.00 22.32 H new ATOM 0 HA ALA A 74 17.748 -6.331 -8.025 1.00 50.24 H new ATOM 0 HB1 ALA A 74 16.693 -4.252 -7.176 1.00 3.42 H new ATOM 0 HB2 ALA A 74 16.301 -4.556 -8.886 1.00 3.42 H new ATOM 0 HB3 ALA A 74 15.098 -4.904 -7.621 1.00 3.42 H new ATOM 1094 N ARG A 75 15.477 -7.195 -5.809 1.00 30.43 N ATOM 1095 CA ARG A 75 15.353 -7.626 -4.410 1.00 43.10 C ATOM 1096 C ARG A 75 16.135 -8.904 -4.122 1.00 72.23 C ATOM 1097 O ARG A 75 16.632 -9.104 -3.016 1.00 45.23 O ATOM 1098 CB ARG A 75 13.874 -7.782 -4.014 1.00 55.34 C ATOM 1099 CG ARG A 75 13.105 -8.814 -4.805 1.00 52.22 C ATOM 1100 CD ARG A 75 11.766 -9.172 -4.166 1.00 44.54 C ATOM 1101 NE ARG A 75 11.709 -10.622 -3.883 1.00 61.15 N ATOM 1102 CZ ARG A 75 11.427 -11.567 -4.779 1.00 1.14 C ATOM 1103 NH1 ARG A 75 11.161 -11.296 -6.030 1.00 24.12 N ATOM 1104 NH2 ARG A 75 11.425 -12.809 -4.397 1.00 44.41 N ATOM 0 H ARG A 75 14.618 -7.262 -6.356 1.00 30.43 H new ATOM 0 HA ARG A 75 15.795 -6.842 -3.795 1.00 43.10 H new ATOM 0 HB2 ARG A 75 13.822 -8.044 -2.957 1.00 55.34 H new ATOM 0 HB3 ARG A 75 13.380 -6.817 -4.128 1.00 55.34 H new ATOM 0 HG2 ARG A 75 12.932 -8.438 -5.813 1.00 52.22 H new ATOM 0 HG3 ARG A 75 13.709 -9.716 -4.901 1.00 52.22 H new ATOM 0 HD2 ARG A 75 11.633 -8.608 -3.243 1.00 44.54 H new ATOM 0 HD3 ARG A 75 10.950 -8.891 -4.832 1.00 44.54 H new ATOM 0 HE ARG A 75 11.901 -10.922 -2.927 1.00 61.15 H new ATOM 0 HH11 ARG A 75 11.164 -10.329 -6.354 1.00 24.12 H new ATOM 0 HH12 ARG A 75 10.950 -12.052 -6.682 1.00 24.12 H new ATOM 0 HH21 ARG A 75 11.637 -13.045 -3.427 1.00 44.41 H new ATOM 0 HH22 ARG A 75 11.212 -13.548 -5.067 1.00 44.41 H new