USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 668 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 18 SER OG : rot -84:sc= 0.351 USER MOD Set 1.2: A 20 CYS SG : rot 8:sc= 0.61 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 24 SER OG : rot 180:sc= -0.464 USER MOD Single : A 26 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.62) USER MOD Single : A 29 THR OG1 : rot -42:sc= 0.159 USER MOD Single : A 30 GLN : amide:sc= -5.35! C(o=-5.4!,f=-4.3!) USER MOD Single : A 31 THR OG1 : rot -79:sc= 0.714 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 35 SER OG : rot -110:sc= -4.06! USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 55 GLN : amide:sc= -1.35 K(o=-1.3,f=-3.8!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.4!) USER MOD Single : A 72 THR OG1 : rot 61:sc= 1.23 USER MOD Single : A 77 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.00213 USER MOD Single : A 89 SER OG : rot -57:sc= 1.22 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N LEU A 7 14.906 -12.506 -7.338 1.00 61.43 N ATOM 108 CA LEU A 7 16.095 -12.710 -6.518 1.00 21.20 C ATOM 109 C LEU A 7 17.362 -12.398 -7.308 1.00 11.40 C ATOM 110 O LEU A 7 17.617 -12.994 -8.353 1.00 52.25 O ATOM 111 CB LEU A 7 16.143 -14.150 -6.004 1.00 23.12 C ATOM 112 CG LEU A 7 16.315 -15.237 -7.066 1.00 0.42 C ATOM 113 CD1 LEU A 7 17.720 -15.817 -7.013 1.00 73.23 C ATOM 114 CD2 LEU A 7 15.276 -16.333 -6.881 1.00 13.45 C ATOM 0 HA LEU A 7 16.042 -12.029 -5.669 1.00 21.20 H new ATOM 0 HB2 LEU A 7 16.964 -14.233 -5.292 1.00 23.12 H new ATOM 0 HB3 LEU A 7 15.223 -14.349 -5.455 1.00 23.12 H new ATOM 0 HG LEU A 7 16.167 -14.786 -8.047 1.00 0.42 H new ATOM 0 HD11 LEU A 7 17.824 -16.589 -7.776 1.00 73.23 H new ATOM 0 HD12 LEU A 7 18.447 -15.026 -7.196 1.00 73.23 H new ATOM 0 HD13 LEU A 7 17.897 -16.252 -6.030 1.00 73.23 H new ATOM 0 HD21 LEU A 7 15.414 -17.098 -7.645 1.00 13.45 H new ATOM 0 HD22 LEU A 7 15.392 -16.781 -5.894 1.00 13.45 H new ATOM 0 HD23 LEU A 7 14.277 -15.906 -6.971 1.00 13.45 H new ATOM 126 N GLY A 8 18.154 -11.459 -6.799 1.00 25.11 N ATOM 127 CA GLY A 8 19.386 -11.085 -7.469 1.00 24.24 C ATOM 128 C GLY A 8 20.612 -11.349 -6.617 1.00 3.30 C ATOM 129 O GLY A 8 21.700 -10.852 -6.911 1.00 12.34 O ATOM 0 H GLY A 8 17.965 -10.951 -5.935 1.00 25.11 H new ATOM 0 HA2 GLY A 8 19.471 -11.639 -8.404 1.00 24.24 H new ATOM 0 HA3 GLY A 8 19.348 -10.027 -7.728 1.00 24.24 H new ATOM 133 N PHE A 9 20.438 -12.132 -5.558 1.00 13.35 N ATOM 134 CA PHE A 9 21.538 -12.458 -4.659 1.00 24.35 C ATOM 135 C PHE A 9 21.576 -13.955 -4.366 1.00 71.51 C ATOM 136 O PHE A 9 20.671 -14.697 -4.750 1.00 12.52 O ATOM 137 CB PHE A 9 21.406 -11.675 -3.351 1.00 4.02 C ATOM 138 CG PHE A 9 20.232 -12.098 -2.515 1.00 4.42 C ATOM 139 CD1 PHE A 9 18.937 -11.900 -2.965 1.00 41.54 C ATOM 140 CD2 PHE A 9 20.424 -12.693 -1.279 1.00 31.34 C ATOM 141 CE1 PHE A 9 17.855 -12.287 -2.198 1.00 2.33 C ATOM 142 CE2 PHE A 9 19.346 -13.083 -0.507 1.00 34.05 C ATOM 143 CZ PHE A 9 18.060 -12.880 -0.967 1.00 74.33 C ATOM 0 H PHE A 9 19.545 -12.553 -5.301 1.00 13.35 H new ATOM 0 HA PHE A 9 22.470 -12.177 -5.150 1.00 24.35 H new ATOM 0 HB2 PHE A 9 22.319 -11.798 -2.769 1.00 4.02 H new ATOM 0 HB3 PHE A 9 21.315 -10.613 -3.580 1.00 4.02 H new ATOM 0 HD1 PHE A 9 18.771 -11.438 -3.927 1.00 41.54 H new ATOM 0 HD2 PHE A 9 21.428 -12.854 -0.914 1.00 31.34 H new ATOM 0 HE1 PHE A 9 16.850 -12.126 -2.560 1.00 2.33 H new ATOM 0 HE2 PHE A 9 19.509 -13.546 0.455 1.00 34.05 H new ATOM 0 HZ PHE A 9 17.216 -13.184 -0.366 1.00 74.33 H new ATOM 153 N ARG A 10 22.630 -14.393 -3.685 1.00 13.03 N ATOM 154 CA ARG A 10 22.787 -15.801 -3.342 1.00 70.30 C ATOM 155 C ARG A 10 22.689 -16.008 -1.833 1.00 45.04 C ATOM 156 O ARG A 10 22.831 -15.064 -1.056 1.00 55.43 O ATOM 157 CB ARG A 10 24.130 -16.326 -3.854 1.00 11.33 C ATOM 158 CG ARG A 10 24.132 -16.647 -5.339 1.00 62.32 C ATOM 159 CD ARG A 10 24.470 -18.108 -5.592 1.00 63.14 C ATOM 160 NE ARG A 10 23.279 -18.954 -5.593 1.00 4.55 N ATOM 161 CZ ARG A 10 23.320 -20.281 -5.636 1.00 42.50 C ATOM 162 NH1 ARG A 10 24.486 -20.910 -5.682 1.00 61.12 N ATOM 163 NH2 ARG A 10 22.193 -20.981 -5.633 1.00 10.42 N ATOM 0 H ARG A 10 23.388 -13.793 -3.360 1.00 13.03 H new ATOM 0 HA ARG A 10 21.981 -16.357 -3.820 1.00 70.30 H new ATOM 0 HB2 ARG A 10 24.902 -15.584 -3.650 1.00 11.33 H new ATOM 0 HB3 ARG A 10 24.396 -17.224 -3.296 1.00 11.33 H new ATOM 0 HG2 ARG A 10 23.154 -16.420 -5.763 1.00 62.32 H new ATOM 0 HG3 ARG A 10 24.856 -16.011 -5.849 1.00 62.32 H new ATOM 0 HD2 ARG A 10 24.981 -18.201 -6.550 1.00 63.14 H new ATOM 0 HD3 ARG A 10 25.162 -18.458 -4.826 1.00 63.14 H new ATOM 0 HE ARG A 10 22.366 -18.501 -5.559 1.00 4.55 H new ATOM 0 HH11 ARG A 10 25.354 -20.375 -5.684 1.00 61.12 H new ATOM 0 HH12 ARG A 10 24.515 -21.929 -5.715 1.00 61.12 H new ATOM 0 HH21 ARG A 10 21.294 -20.500 -5.598 1.00 10.42 H new ATOM 0 HH22 ARG A 10 22.225 -22.000 -5.666 1.00 10.42 H new ATOM 177 N VAL A 11 22.447 -17.250 -1.426 1.00 13.33 N ATOM 178 CA VAL A 11 22.331 -17.581 -0.011 1.00 12.14 C ATOM 179 C VAL A 11 22.696 -19.039 0.244 1.00 2.13 C ATOM 180 O VAL A 11 22.267 -19.933 -0.484 1.00 22.32 O ATOM 181 CB VAL A 11 20.905 -17.322 0.512 1.00 41.44 C ATOM 182 CG1 VAL A 11 20.674 -15.832 0.717 1.00 60.25 C ATOM 183 CG2 VAL A 11 19.874 -17.903 -0.444 1.00 42.12 C ATOM 0 H VAL A 11 22.328 -18.043 -2.056 1.00 13.33 H new ATOM 0 HA VAL A 11 23.029 -16.935 0.523 1.00 12.14 H new ATOM 0 HB VAL A 11 20.794 -17.819 1.476 1.00 41.44 H new ATOM 0 HG11 VAL A 11 19.662 -15.668 1.087 1.00 60.25 H new ATOM 0 HG12 VAL A 11 21.392 -15.449 1.443 1.00 60.25 H new ATOM 0 HG13 VAL A 11 20.803 -15.310 -0.231 1.00 60.25 H new ATOM 0 HG21 VAL A 11 18.872 -17.711 -0.059 1.00 42.12 H new ATOM 0 HG22 VAL A 11 19.982 -17.437 -1.423 1.00 42.12 H new ATOM 0 HG23 VAL A 11 20.028 -18.978 -0.535 1.00 42.12 H new ATOM 193 N ALA A 12 23.491 -19.271 1.284 1.00 43.13 N ATOM 194 CA ALA A 12 23.913 -20.621 1.637 1.00 52.22 C ATOM 195 C ALA A 12 23.224 -21.095 2.912 1.00 73.23 C ATOM 196 O ALA A 12 23.351 -20.473 3.966 1.00 31.35 O ATOM 197 CB ALA A 12 25.425 -20.676 1.800 1.00 75.13 C ATOM 0 H ALA A 12 23.856 -18.541 1.897 1.00 43.13 H new ATOM 0 HA ALA A 12 23.622 -21.290 0.827 1.00 52.22 H new ATOM 0 HB1 ALA A 12 25.726 -21.690 2.064 1.00 75.13 H new ATOM 0 HB2 ALA A 12 25.903 -20.388 0.864 1.00 75.13 H new ATOM 0 HB3 ALA A 12 25.731 -19.990 2.590 1.00 75.13 H new ATOM 203 N VAL A 13 22.493 -22.201 2.808 1.00 54.54 N ATOM 204 CA VAL A 13 21.783 -22.759 3.953 1.00 43.33 C ATOM 205 C VAL A 13 22.686 -23.685 4.760 1.00 72.22 C ATOM 206 O VAL A 13 23.356 -24.555 4.205 1.00 40.43 O ATOM 207 CB VAL A 13 20.530 -23.537 3.511 1.00 32.34 C ATOM 208 CG1 VAL A 13 20.919 -24.740 2.666 1.00 75.34 C ATOM 209 CG2 VAL A 13 19.716 -23.967 4.723 1.00 64.42 C ATOM 0 H VAL A 13 22.377 -22.728 1.942 1.00 54.54 H new ATOM 0 HA VAL A 13 21.478 -21.919 4.577 1.00 43.33 H new ATOM 0 HB VAL A 13 19.911 -22.879 2.900 1.00 32.34 H new ATOM 0 HG11 VAL A 13 20.021 -25.278 2.363 1.00 75.34 H new ATOM 0 HG12 VAL A 13 21.457 -24.403 1.780 1.00 75.34 H new ATOM 0 HG13 VAL A 13 21.559 -25.402 3.249 1.00 75.34 H new ATOM 0 HG21 VAL A 13 18.834 -24.516 4.393 1.00 64.42 H new ATOM 0 HG22 VAL A 13 20.324 -24.608 5.361 1.00 64.42 H new ATOM 0 HG23 VAL A 13 19.406 -23.086 5.284 1.00 64.42 H new ATOM 219 N GLY A 14 22.697 -23.493 6.076 1.00 44.25 N ATOM 220 CA GLY A 14 23.521 -24.319 6.939 1.00 71.13 C ATOM 221 C GLY A 14 23.458 -23.885 8.390 1.00 55.24 C ATOM 222 O GLY A 14 22.556 -23.145 8.784 1.00 32.43 O ATOM 0 H GLY A 14 22.150 -22.780 6.559 1.00 44.25 H new ATOM 0 HA2 GLY A 14 23.198 -25.357 6.859 1.00 71.13 H new ATOM 0 HA3 GLY A 14 24.555 -24.279 6.596 1.00 71.13 H new ATOM 226 N ARG A 15 24.416 -24.346 9.186 1.00 20.32 N ATOM 227 CA ARG A 15 24.464 -24.003 10.602 1.00 35.34 C ATOM 228 C ARG A 15 25.750 -23.254 10.938 1.00 61.45 C ATOM 229 O ARG A 15 26.847 -23.707 10.609 1.00 51.42 O ATOM 230 CB ARG A 15 24.358 -25.267 11.459 1.00 43.52 C ATOM 231 CG ARG A 15 23.251 -26.210 11.018 1.00 22.34 C ATOM 232 CD ARG A 15 22.343 -26.584 12.180 1.00 64.34 C ATOM 233 NE ARG A 15 21.592 -27.808 11.915 1.00 72.23 N ATOM 234 CZ ARG A 15 22.145 -29.015 11.868 1.00 2.12 C ATOM 235 NH1 ARG A 15 23.448 -29.159 12.068 1.00 10.44 N ATOM 236 NH2 ARG A 15 21.395 -30.081 11.622 1.00 71.24 N ATOM 0 H ARG A 15 25.170 -24.958 8.875 1.00 20.32 H new ATOM 0 HA ARG A 15 23.618 -23.352 10.821 1.00 35.34 H new ATOM 0 HB2 ARG A 15 25.310 -25.798 11.428 1.00 43.52 H new ATOM 0 HB3 ARG A 15 24.187 -24.979 12.496 1.00 43.52 H new ATOM 0 HG2 ARG A 15 22.662 -25.739 10.231 1.00 22.34 H new ATOM 0 HG3 ARG A 15 23.689 -27.113 10.591 1.00 22.34 H new ATOM 0 HD2 ARG A 15 22.942 -26.714 13.081 1.00 64.34 H new ATOM 0 HD3 ARG A 15 21.648 -25.767 12.375 1.00 64.34 H new ATOM 0 HE ARG A 15 20.587 -27.732 11.757 1.00 72.23 H new ATOM 0 HH11 ARG A 15 24.028 -28.342 12.258 1.00 10.44 H new ATOM 0 HH12 ARG A 15 23.870 -30.087 12.031 1.00 10.44 H new ATOM 0 HH21 ARG A 15 20.392 -29.975 11.469 1.00 71.24 H new ATOM 0 HH22 ARG A 15 21.821 -31.007 11.586 1.00 71.24 H new ATOM 250 N ASP A 16 25.607 -22.108 11.593 1.00 43.44 N ATOM 251 CA ASP A 16 26.758 -21.296 11.973 1.00 54.11 C ATOM 252 C ASP A 16 27.362 -21.790 13.284 1.00 53.23 C ATOM 253 O ASP A 16 26.940 -22.811 13.827 1.00 1.43 O ATOM 254 CB ASP A 16 26.351 -19.827 12.106 1.00 70.43 C ATOM 255 CG ASP A 16 25.350 -19.602 13.222 1.00 22.51 C ATOM 256 OD1 ASP A 16 24.773 -20.596 13.710 1.00 74.34 O ATOM 257 OD2 ASP A 16 25.144 -18.432 13.608 1.00 60.43 O ATOM 0 H ASP A 16 24.706 -21.720 11.872 1.00 43.44 H new ATOM 0 HA ASP A 16 27.511 -21.387 11.190 1.00 54.11 H new ATOM 0 HB2 ASP A 16 27.239 -19.222 12.291 1.00 70.43 H new ATOM 0 HB3 ASP A 16 25.923 -19.485 11.164 1.00 70.43 H new ATOM 262 N SER A 17 28.352 -21.059 13.785 1.00 22.14 N ATOM 263 CA SER A 17 29.018 -21.426 15.030 1.00 50.51 C ATOM 264 C SER A 17 28.008 -21.568 16.165 1.00 61.34 C ATOM 265 O SER A 17 28.241 -22.296 17.130 1.00 41.12 O ATOM 266 CB SER A 17 30.071 -20.378 15.398 1.00 55.14 C ATOM 267 OG SER A 17 31.175 -20.974 16.057 1.00 55.44 O ATOM 0 H SER A 17 28.711 -20.210 13.349 1.00 22.14 H new ATOM 0 HA SER A 17 29.509 -22.388 14.881 1.00 50.51 H new ATOM 0 HB2 SER A 17 30.413 -19.869 14.497 1.00 55.14 H new ATOM 0 HB3 SER A 17 29.625 -19.620 16.042 1.00 55.14 H new ATOM 0 HG SER A 17 31.834 -20.284 16.280 1.00 55.44 H new ATOM 273 N SER A 18 26.885 -20.868 16.041 1.00 62.15 N ATOM 274 CA SER A 18 25.840 -20.913 17.057 1.00 42.24 C ATOM 275 C SER A 18 24.917 -22.107 16.835 1.00 64.24 C ATOM 276 O SER A 18 24.276 -22.592 17.766 1.00 54.33 O ATOM 277 CB SER A 18 25.028 -19.616 17.041 1.00 60.45 C ATOM 278 OG SER A 18 23.780 -19.789 17.689 1.00 52.41 O ATOM 0 H SER A 18 26.675 -20.263 15.247 1.00 62.15 H new ATOM 0 HA SER A 18 26.318 -21.022 18.030 1.00 42.24 H new ATOM 0 HB2 SER A 18 25.591 -18.824 17.535 1.00 60.45 H new ATOM 0 HB3 SER A 18 24.866 -19.297 16.011 1.00 60.45 H new ATOM 0 HG SER A 18 23.132 -20.164 17.056 1.00 52.41 H new ATOM 284 N GLY A 19 24.857 -22.577 15.592 1.00 35.53 N ATOM 285 CA GLY A 19 24.010 -23.711 15.269 1.00 40.01 C ATOM 286 C GLY A 19 22.538 -23.414 15.477 1.00 3.33 C ATOM 287 O GLY A 19 21.950 -23.827 16.477 1.00 3.14 O ATOM 0 H GLY A 19 25.379 -22.193 14.804 1.00 35.53 H new ATOM 0 HA2 GLY A 19 24.176 -24.000 14.231 1.00 40.01 H new ATOM 0 HA3 GLY A 19 24.296 -24.562 15.887 1.00 40.01 H new ATOM 291 N CYS A 20 21.942 -22.694 14.533 1.00 64.31 N ATOM 292 CA CYS A 20 20.530 -22.340 14.619 1.00 41.41 C ATOM 293 C CYS A 20 19.891 -22.314 13.234 1.00 33.25 C ATOM 294 O CYS A 20 18.803 -21.766 13.050 1.00 23.22 O ATOM 295 CB CYS A 20 20.365 -20.978 15.295 1.00 2.13 C ATOM 296 SG CYS A 20 20.772 -20.975 17.057 1.00 12.41 S ATOM 0 H CYS A 20 22.415 -22.344 13.700 1.00 64.31 H new ATOM 0 HA CYS A 20 20.026 -23.099 15.218 1.00 41.41 H new ATOM 0 HB2 CYS A 20 20.999 -20.252 14.785 1.00 2.13 H new ATOM 0 HB3 CYS A 20 19.335 -20.645 15.170 1.00 2.13 H new ATOM 0 HG CYS A 20 21.299 -22.118 17.383 1.00 12.41 H new ATOM 302 N THR A 21 20.574 -22.910 12.262 1.00 52.33 N ATOM 303 CA THR A 21 20.074 -22.953 10.893 1.00 25.11 C ATOM 304 C THR A 21 19.798 -21.551 10.364 1.00 11.50 C ATOM 305 O THR A 21 18.712 -21.003 10.561 1.00 23.45 O ATOM 306 CB THR A 21 18.786 -23.791 10.792 1.00 61.25 C ATOM 307 OG1 THR A 21 18.756 -24.772 11.834 1.00 22.22 O ATOM 308 CG2 THR A 21 18.693 -24.479 9.438 1.00 25.30 C ATOM 0 H THR A 21 21.475 -23.369 12.397 1.00 52.33 H new ATOM 0 HA THR A 21 20.851 -23.420 10.287 1.00 25.11 H new ATOM 0 HB THR A 21 17.934 -23.121 10.901 1.00 61.25 H new ATOM 0 HG1 THR A 21 17.933 -25.299 11.763 1.00 22.22 H new ATOM 0 HG21 THR A 21 17.775 -25.065 9.390 1.00 25.30 H new ATOM 0 HG22 THR A 21 18.686 -23.728 8.648 1.00 25.30 H new ATOM 0 HG23 THR A 21 19.551 -25.138 9.305 1.00 25.30 H new ATOM 316 N THR A 22 20.787 -20.972 9.689 1.00 15.23 N ATOM 317 CA THR A 22 20.650 -19.632 9.132 1.00 73.22 C ATOM 318 C THR A 22 21.337 -19.528 7.775 1.00 32.51 C ATOM 319 O THR A 22 22.239 -20.307 7.463 1.00 33.42 O ATOM 320 CB THR A 22 21.240 -18.568 10.076 1.00 13.30 C ATOM 321 OG1 THR A 22 21.420 -17.334 9.372 1.00 70.12 O ATOM 322 CG2 THR A 22 22.571 -19.030 10.648 1.00 22.22 C ATOM 0 H THR A 22 21.691 -21.411 9.515 1.00 15.23 H new ATOM 0 HA THR A 22 19.583 -19.448 9.011 1.00 73.22 H new ATOM 0 HB THR A 22 20.542 -18.418 10.899 1.00 13.30 H new ATOM 0 HG1 THR A 22 21.794 -16.662 9.980 1.00 70.12 H new ATOM 0 HG21 THR A 22 22.968 -18.262 11.312 1.00 22.22 H new ATOM 0 HG22 THR A 22 22.425 -19.954 11.208 1.00 22.22 H new ATOM 0 HG23 THR A 22 23.275 -19.206 9.835 1.00 22.22 H new ATOM 330 N LEU A 23 20.906 -18.562 6.972 1.00 63.35 N ATOM 331 CA LEU A 23 21.481 -18.356 5.647 1.00 42.13 C ATOM 332 C LEU A 23 22.376 -17.121 5.628 1.00 42.11 C ATOM 333 O LEU A 23 22.157 -16.172 6.381 1.00 43.24 O ATOM 334 CB LEU A 23 20.371 -18.211 4.604 1.00 21.23 C ATOM 335 CG LEU A 23 19.630 -19.495 4.230 1.00 21.42 C ATOM 336 CD1 LEU A 23 18.716 -19.934 5.364 1.00 52.44 C ATOM 337 CD2 LEU A 23 18.836 -19.298 2.947 1.00 34.34 C ATOM 0 H LEU A 23 20.161 -17.909 7.215 1.00 63.35 H new ATOM 0 HA LEU A 23 22.089 -19.227 5.403 1.00 42.13 H new ATOM 0 HB2 LEU A 23 19.643 -17.490 4.975 1.00 21.23 H new ATOM 0 HB3 LEU A 23 20.804 -17.788 3.698 1.00 21.23 H new ATOM 0 HG LEU A 23 20.366 -20.281 4.060 1.00 21.42 H new ATOM 0 HD11 LEU A 23 18.197 -20.849 5.079 1.00 52.44 H new ATOM 0 HD12 LEU A 23 19.310 -20.117 6.260 1.00 52.44 H new ATOM 0 HD13 LEU A 23 17.985 -19.151 5.566 1.00 52.44 H new ATOM 0 HD21 LEU A 23 18.315 -20.222 2.696 1.00 34.34 H new ATOM 0 HD22 LEU A 23 18.109 -18.498 3.088 1.00 34.34 H new ATOM 0 HD23 LEU A 23 19.515 -19.032 2.136 1.00 34.34 H new ATOM 349 N SER A 24 23.384 -17.140 4.761 1.00 12.22 N ATOM 350 CA SER A 24 24.313 -16.022 4.645 1.00 22.20 C ATOM 351 C SER A 24 24.183 -15.346 3.283 1.00 34.25 C ATOM 352 O SER A 24 24.191 -16.009 2.246 1.00 61.40 O ATOM 353 CB SER A 24 25.751 -16.503 4.853 1.00 73.15 C ATOM 354 OG SER A 24 26.643 -15.408 4.969 1.00 71.44 O ATOM 0 H SER A 24 23.578 -17.917 4.129 1.00 12.22 H new ATOM 0 HA SER A 24 24.065 -15.294 5.417 1.00 22.20 H new ATOM 0 HB2 SER A 24 25.806 -17.118 5.752 1.00 73.15 H new ATOM 0 HB3 SER A 24 26.051 -17.134 4.016 1.00 73.15 H new ATOM 0 HG SER A 24 27.555 -15.742 5.103 1.00 71.44 H new ATOM 360 N ILE A 25 24.062 -14.023 3.296 1.00 32.11 N ATOM 361 CA ILE A 25 23.930 -13.257 2.063 1.00 5.33 C ATOM 362 C ILE A 25 25.297 -12.920 1.477 1.00 3.11 C ATOM 363 O ILE A 25 26.067 -12.162 2.068 1.00 74.44 O ATOM 364 CB ILE A 25 23.147 -11.951 2.293 1.00 40.20 C ATOM 365 CG1 ILE A 25 21.936 -12.208 3.192 1.00 21.31 C ATOM 366 CG2 ILE A 25 22.709 -11.355 0.963 1.00 21.03 C ATOM 367 CD1 ILE A 25 20.982 -13.244 2.639 1.00 40.40 C ATOM 0 H ILE A 25 24.053 -13.460 4.146 1.00 32.11 H new ATOM 0 HA ILE A 25 23.380 -13.882 1.360 1.00 5.33 H new ATOM 0 HB ILE A 25 23.801 -11.236 2.792 1.00 40.20 H new ATOM 0 HG12 ILE A 25 22.284 -12.533 4.173 1.00 21.31 H new ATOM 0 HG13 ILE A 25 21.398 -11.272 3.339 1.00 21.31 H new ATOM 0 HG21 ILE A 25 22.157 -10.432 1.142 1.00 21.03 H new ATOM 0 HG22 ILE A 25 23.587 -11.140 0.354 1.00 21.03 H new ATOM 0 HG23 ILE A 25 22.069 -12.065 0.439 1.00 21.03 H new ATOM 0 HD11 ILE A 25 20.148 -13.375 3.328 1.00 40.40 H new ATOM 0 HD12 ILE A 25 20.605 -12.912 1.672 1.00 40.40 H new ATOM 0 HD13 ILE A 25 21.505 -14.193 2.518 1.00 40.40 H new ATOM 379 N GLN A 26 25.591 -13.487 0.311 1.00 1.24 N ATOM 380 CA GLN A 26 26.865 -13.245 -0.355 1.00 62.43 C ATOM 381 C GLN A 26 26.743 -12.111 -1.368 1.00 24.50 C ATOM 382 O GLN A 26 27.629 -11.911 -2.198 1.00 60.44 O ATOM 383 CB GLN A 26 27.349 -14.518 -1.053 1.00 2.14 C ATOM 384 CG GLN A 26 27.746 -15.626 -0.090 1.00 52.21 C ATOM 385 CD GLN A 26 26.812 -16.818 -0.156 1.00 62.34 C ATOM 386 OE1 GLN A 26 26.153 -17.160 0.825 1.00 35.35 O ATOM 387 NE2 GLN A 26 26.751 -17.459 -1.318 1.00 24.01 N ATOM 0 H GLN A 26 24.965 -14.116 -0.191 1.00 1.24 H new ATOM 0 HA GLN A 26 27.593 -12.954 0.402 1.00 62.43 H new ATOM 0 HB2 GLN A 26 26.560 -14.884 -1.710 1.00 2.14 H new ATOM 0 HB3 GLN A 26 28.203 -14.274 -1.685 1.00 2.14 H new ATOM 0 HG2 GLN A 26 28.761 -15.952 -0.316 1.00 52.21 H new ATOM 0 HG3 GLN A 26 27.756 -15.233 0.926 1.00 52.21 H new ATOM 0 HE21 GLN A 26 27.315 -17.141 -2.106 1.00 24.01 H new ATOM 0 HE22 GLN A 26 26.140 -18.269 -1.422 1.00 24.01 H new ATOM 396 N GLU A 27 25.640 -11.373 -1.293 1.00 25.14 N ATOM 397 CA GLU A 27 25.403 -10.260 -2.204 1.00 64.02 C ATOM 398 C GLU A 27 24.711 -9.106 -1.485 1.00 44.31 C ATOM 399 O GLU A 27 24.527 -9.139 -0.268 1.00 53.13 O ATOM 400 CB GLU A 27 24.555 -10.717 -3.393 1.00 32.04 C ATOM 401 CG GLU A 27 25.231 -10.513 -4.738 1.00 1.32 C ATOM 402 CD GLU A 27 25.631 -11.820 -5.394 1.00 43.21 C ATOM 403 OE1 GLU A 27 26.390 -12.589 -4.768 1.00 64.12 O ATOM 404 OE2 GLU A 27 25.186 -12.073 -6.533 1.00 21.32 O ATOM 0 H GLU A 27 24.897 -11.526 -0.611 1.00 25.14 H new ATOM 0 HA GLU A 27 26.369 -9.911 -2.569 1.00 64.02 H new ATOM 0 HB2 GLU A 27 24.316 -11.774 -3.273 1.00 32.04 H new ATOM 0 HB3 GLU A 27 23.610 -10.173 -3.385 1.00 32.04 H new ATOM 0 HG2 GLU A 27 24.557 -9.970 -5.400 1.00 1.32 H new ATOM 0 HG3 GLU A 27 26.117 -9.892 -4.605 1.00 1.32 H new ATOM 411 N VAL A 28 24.331 -8.085 -2.247 1.00 0.34 N ATOM 412 CA VAL A 28 23.659 -6.920 -1.684 1.00 0.34 C ATOM 413 C VAL A 28 22.334 -6.656 -2.389 1.00 14.41 C ATOM 414 O VAL A 28 22.219 -5.730 -3.194 1.00 34.35 O ATOM 415 CB VAL A 28 24.541 -5.661 -1.783 1.00 13.31 C ATOM 416 CG1 VAL A 28 25.655 -5.706 -0.748 1.00 54.41 C ATOM 417 CG2 VAL A 28 25.111 -5.519 -3.186 1.00 73.42 C ATOM 0 H VAL A 28 24.477 -8.041 -3.256 1.00 0.34 H new ATOM 0 HA VAL A 28 23.470 -7.140 -0.633 1.00 0.34 H new ATOM 0 HB VAL A 28 23.922 -4.788 -1.577 1.00 13.31 H new ATOM 0 HG11 VAL A 28 26.267 -4.808 -0.833 1.00 54.41 H new ATOM 0 HG12 VAL A 28 25.222 -5.756 0.251 1.00 54.41 H new ATOM 0 HG13 VAL A 28 26.275 -6.586 -0.919 1.00 54.41 H new ATOM 0 HG21 VAL A 28 25.731 -4.624 -3.238 1.00 73.42 H new ATOM 0 HG22 VAL A 28 25.716 -6.394 -3.423 1.00 73.42 H new ATOM 0 HG23 VAL A 28 24.295 -5.437 -3.904 1.00 73.42 H new ATOM 427 N THR A 29 21.332 -7.475 -2.082 1.00 4.31 N ATOM 428 CA THR A 29 20.014 -7.331 -2.686 1.00 42.35 C ATOM 429 C THR A 29 19.333 -6.049 -2.222 1.00 2.54 C ATOM 430 O THR A 29 18.324 -5.631 -2.788 1.00 74.42 O ATOM 431 CB THR A 29 19.108 -8.530 -2.351 1.00 62.41 C ATOM 432 OG1 THR A 29 17.909 -8.472 -3.131 1.00 52.32 O ATOM 433 CG2 THR A 29 18.756 -8.546 -0.871 1.00 43.32 C ATOM 0 H THR A 29 21.409 -8.245 -1.418 1.00 4.31 H new ATOM 0 HA THR A 29 20.164 -7.289 -3.765 1.00 42.35 H new ATOM 0 HB THR A 29 19.651 -9.444 -2.589 1.00 62.41 H new ATOM 0 HG1 THR A 29 17.584 -7.548 -3.164 1.00 52.32 H new ATOM 0 HG21 THR A 29 18.115 -9.402 -0.659 1.00 43.32 H new ATOM 0 HG22 THR A 29 19.669 -8.621 -0.281 1.00 43.32 H new ATOM 0 HG23 THR A 29 18.231 -7.627 -0.612 1.00 43.32 H new ATOM 441 N GLN A 30 19.893 -5.428 -1.188 1.00 34.12 N ATOM 442 CA GLN A 30 19.338 -4.193 -0.648 1.00 11.44 C ATOM 443 C GLN A 30 19.169 -3.146 -1.744 1.00 71.54 C ATOM 444 O GLN A 30 18.315 -2.264 -1.650 1.00 71.21 O ATOM 445 CB GLN A 30 20.239 -3.646 0.461 1.00 43.23 C ATOM 446 CG GLN A 30 20.087 -4.376 1.785 1.00 33.50 C ATOM 447 CD GLN A 30 20.468 -5.841 1.691 1.00 52.21 C ATOM 448 OE1 GLN A 30 19.746 -6.714 2.173 1.00 20.21 O ATOM 449 NE2 GLN A 30 21.607 -6.117 1.068 1.00 62.44 N ATOM 0 H GLN A 30 20.730 -5.760 -0.708 1.00 34.12 H new ATOM 0 HA GLN A 30 18.356 -4.418 -0.232 1.00 11.44 H new ATOM 0 HB2 GLN A 30 21.278 -3.710 0.138 1.00 43.23 H new ATOM 0 HB3 GLN A 30 20.016 -2.590 0.611 1.00 43.23 H new ATOM 0 HG2 GLN A 30 20.709 -3.890 2.537 1.00 33.50 H new ATOM 0 HG3 GLN A 30 19.054 -4.294 2.124 1.00 33.50 H new ATOM 0 HE21 GLN A 30 22.174 -5.361 0.684 1.00 62.44 H new ATOM 0 HE22 GLN A 30 21.915 -7.085 0.974 1.00 62.44 H new ATOM 458 N THR A 31 19.989 -3.250 -2.786 1.00 11.03 N ATOM 459 CA THR A 31 19.931 -2.312 -3.900 1.00 25.31 C ATOM 460 C THR A 31 18.669 -2.520 -4.729 1.00 22.02 C ATOM 461 O THR A 31 18.708 -3.142 -5.791 1.00 15.12 O ATOM 462 CB THR A 31 21.162 -2.452 -4.816 1.00 1.03 C ATOM 463 OG1 THR A 31 21.562 -3.825 -4.893 1.00 51.21 O ATOM 464 CG2 THR A 31 22.319 -1.610 -4.300 1.00 1.14 C ATOM 0 H THR A 31 20.701 -3.974 -2.881 1.00 11.03 H new ATOM 0 HA THR A 31 19.919 -1.311 -3.470 1.00 25.31 H new ATOM 0 HB THR A 31 20.890 -2.097 -5.810 1.00 1.03 H new ATOM 0 HG1 THR A 31 22.071 -4.063 -4.090 1.00 51.21 H new ATOM 0 HG21 THR A 31 23.177 -1.725 -4.963 1.00 1.14 H new ATOM 0 HG22 THR A 31 22.021 -0.562 -4.270 1.00 1.14 H new ATOM 0 HG23 THR A 31 22.589 -1.939 -3.297 1.00 1.14 H new ATOM 472 N TYR A 32 17.552 -1.995 -4.238 1.00 31.50 N ATOM 473 CA TYR A 32 16.277 -2.125 -4.933 1.00 71.23 C ATOM 474 C TYR A 32 15.282 -1.075 -4.447 1.00 61.44 C ATOM 475 O TYR A 32 15.274 -0.706 -3.273 1.00 21.15 O ATOM 476 CB TYR A 32 15.699 -3.526 -4.726 1.00 21.23 C ATOM 477 CG TYR A 32 15.958 -4.466 -5.882 1.00 3.52 C ATOM 478 CD1 TYR A 32 15.569 -4.133 -7.173 1.00 63.25 C ATOM 479 CD2 TYR A 32 16.593 -5.685 -5.682 1.00 64.22 C ATOM 480 CE1 TYR A 32 15.804 -4.989 -8.232 1.00 55.14 C ATOM 481 CE2 TYR A 32 16.833 -6.547 -6.735 1.00 40.55 C ATOM 482 CZ TYR A 32 16.436 -6.194 -8.008 1.00 72.14 C ATOM 483 OH TYR A 32 16.672 -7.049 -9.061 1.00 2.51 O ATOM 0 H TYR A 32 17.504 -1.476 -3.362 1.00 31.50 H new ATOM 0 HA TYR A 32 16.455 -1.966 -5.997 1.00 71.23 H new ATOM 0 HB2 TYR A 32 16.124 -3.954 -3.818 1.00 21.23 H new ATOM 0 HB3 TYR A 32 14.624 -3.446 -4.568 1.00 21.23 H new ATOM 0 HD1 TYR A 32 15.075 -3.190 -7.352 1.00 63.25 H new ATOM 0 HD2 TYR A 32 16.905 -5.964 -4.686 1.00 64.22 H new ATOM 0 HE1 TYR A 32 15.494 -4.716 -9.230 1.00 55.14 H new ATOM 0 HE2 TYR A 32 17.328 -7.491 -6.562 1.00 40.55 H new ATOM 0 HH TYR A 32 17.126 -7.853 -8.734 1.00 2.51 H new ATOM 493 N THR A 33 14.442 -0.598 -5.361 1.00 2.14 N ATOM 494 CA THR A 33 13.443 0.409 -5.028 1.00 11.34 C ATOM 495 C THR A 33 12.633 0.807 -6.256 1.00 52.30 C ATOM 496 O THR A 33 12.857 0.296 -7.352 1.00 60.41 O ATOM 497 CB THR A 33 14.094 1.669 -4.426 1.00 31.02 C ATOM 498 OG1 THR A 33 15.508 1.645 -4.651 1.00 32.11 O ATOM 499 CG2 THR A 33 13.814 1.762 -2.933 1.00 43.24 C ATOM 0 H THR A 33 14.434 -0.893 -6.337 1.00 2.14 H new ATOM 0 HA THR A 33 12.779 -0.037 -4.287 1.00 11.34 H new ATOM 0 HB THR A 33 13.664 2.543 -4.915 1.00 31.02 H new ATOM 0 HG1 THR A 33 15.914 2.450 -4.267 1.00 32.11 H new ATOM 0 HG21 THR A 33 14.283 2.659 -2.530 1.00 43.24 H new ATOM 0 HG22 THR A 33 12.738 1.810 -2.767 1.00 43.24 H new ATOM 0 HG23 THR A 33 14.220 0.884 -2.431 1.00 43.24 H new ATOM 507 N GLY A 34 11.689 1.725 -6.066 1.00 24.14 N ATOM 508 CA GLY A 34 10.860 2.176 -7.168 1.00 4.32 C ATOM 509 C GLY A 34 9.383 1.954 -6.911 1.00 61.12 C ATOM 510 O GLY A 34 8.553 2.171 -7.794 1.00 62.20 O ATOM 0 H GLY A 34 11.484 2.164 -5.168 1.00 24.14 H new ATOM 0 HA2 GLY A 34 11.040 3.237 -7.343 1.00 4.32 H new ATOM 0 HA3 GLY A 34 11.151 1.649 -8.077 1.00 4.32 H new ATOM 514 N SER A 35 9.054 1.518 -5.699 1.00 54.24 N ATOM 515 CA SER A 35 7.666 1.261 -5.331 1.00 25.43 C ATOM 516 C SER A 35 6.819 2.519 -5.492 1.00 0.13 C ATOM 517 O SER A 35 5.611 2.443 -5.713 1.00 22.04 O ATOM 518 CB SER A 35 7.585 0.758 -3.888 1.00 51.20 C ATOM 519 OG SER A 35 8.821 0.205 -3.470 1.00 11.41 O ATOM 0 H SER A 35 9.729 1.335 -4.956 1.00 54.24 H new ATOM 0 HA SER A 35 7.274 0.494 -5.999 1.00 25.43 H new ATOM 0 HB2 SER A 35 7.309 1.580 -3.228 1.00 51.20 H new ATOM 0 HB3 SER A 35 6.800 0.006 -3.805 1.00 51.20 H new ATOM 0 HG SER A 35 8.729 -0.766 -3.374 1.00 11.41 H new ATOM 525 N ASN A 36 7.462 3.677 -5.379 1.00 24.51 N ATOM 526 CA ASN A 36 6.769 4.953 -5.511 1.00 72.41 C ATOM 527 C ASN A 36 7.736 6.119 -5.329 1.00 74.31 C ATOM 528 O ASN A 36 7.585 7.167 -5.954 1.00 53.35 O ATOM 529 CB ASN A 36 5.636 5.050 -4.487 1.00 24.33 C ATOM 530 CG ASN A 36 4.317 5.446 -5.120 1.00 14.12 C ATOM 531 OD1 ASN A 36 3.776 4.725 -5.958 1.00 63.25 O ATOM 532 ND2 ASN A 36 3.791 6.598 -4.720 1.00 2.21 N ATOM 0 H ASN A 36 8.462 3.758 -5.196 1.00 24.51 H new ATOM 0 HA ASN A 36 6.348 5.007 -6.515 1.00 72.41 H new ATOM 0 HB2 ASN A 36 5.521 4.090 -3.985 1.00 24.33 H new ATOM 0 HB3 ASN A 36 5.902 5.780 -3.722 1.00 24.33 H new ATOM 0 HD21 ASN A 36 2.904 6.916 -5.110 1.00 2.21 H new ATOM 0 HD22 ASN A 36 4.274 7.164 -4.023 1.00 2.21 H new ATOM 539 N GLY A 37 8.730 5.927 -4.468 1.00 3.03 N ATOM 540 CA GLY A 37 9.708 6.971 -4.219 1.00 34.41 C ATOM 541 C GLY A 37 11.132 6.484 -4.395 1.00 5.35 C ATOM 542 O GLY A 37 11.795 6.118 -3.425 1.00 11.24 O ATOM 0 H GLY A 37 8.876 5.068 -3.938 1.00 3.03 H new ATOM 0 HA2 GLY A 37 9.526 7.805 -4.897 1.00 34.41 H new ATOM 0 HA3 GLY A 37 9.580 7.351 -3.205 1.00 34.41 H new ATOM 546 N GLY A 38 11.606 6.479 -5.637 1.00 74.32 N ATOM 547 CA GLY A 38 12.957 6.030 -5.914 1.00 65.33 C ATOM 548 C GLY A 38 13.018 5.052 -7.071 1.00 41.00 C ATOM 549 O GLY A 38 12.182 5.095 -7.973 1.00 62.02 O ATOM 0 H GLY A 38 11.078 6.778 -6.457 1.00 74.32 H new ATOM 0 HA2 GLY A 38 13.584 6.893 -6.138 1.00 65.33 H new ATOM 0 HA3 GLY A 38 13.370 5.559 -5.022 1.00 65.33 H new ATOM 611 N GLY A 43 20.915 2.493 -2.164 1.00 40.34 N ATOM 612 CA GLY A 43 20.363 3.426 -1.199 1.00 24.22 C ATOM 613 C GLY A 43 20.257 2.827 0.190 1.00 41.32 C ATOM 614 O GLY A 43 21.065 3.111 1.075 1.00 54.22 O ATOM 0 HA2 GLY A 43 20.989 4.317 -1.160 1.00 24.22 H new ATOM 0 HA3 GLY A 43 19.375 3.745 -1.530 1.00 24.22 H new ATOM 618 N PRO A 44 19.239 1.979 0.396 1.00 22.34 N ATOM 619 CA PRO A 44 19.005 1.322 1.686 1.00 42.01 C ATOM 620 C PRO A 44 20.069 0.278 2.006 1.00 23.22 C ATOM 621 O PRO A 44 20.111 -0.260 3.112 1.00 21.40 O ATOM 622 CB PRO A 44 17.640 0.655 1.502 1.00 52.02 C ATOM 623 CG PRO A 44 17.516 0.444 0.032 1.00 3.32 C ATOM 624 CD PRO A 44 18.238 1.594 -0.613 1.00 44.52 C ATOM 0 HA PRO A 44 19.041 2.028 2.515 1.00 42.01 H new ATOM 0 HB2 PRO A 44 17.585 -0.289 2.043 1.00 52.02 H new ATOM 0 HB3 PRO A 44 16.836 1.287 1.880 1.00 52.02 H new ATOM 0 HG2 PRO A 44 17.956 -0.508 -0.264 1.00 3.32 H new ATOM 0 HG3 PRO A 44 16.470 0.420 -0.272 1.00 3.32 H new ATOM 0 HD2 PRO A 44 18.707 1.298 -1.551 1.00 44.52 H new ATOM 0 HD3 PRO A 44 17.560 2.417 -0.841 1.00 44.52 H new ATOM 632 N ALA A 45 20.928 -0.003 1.032 1.00 70.54 N ATOM 633 CA ALA A 45 21.994 -0.981 1.211 1.00 32.52 C ATOM 634 C ALA A 45 23.142 -0.398 2.027 1.00 24.21 C ATOM 635 O ALA A 45 23.338 -0.759 3.188 1.00 43.41 O ATOM 636 CB ALA A 45 22.497 -1.468 -0.140 1.00 1.41 C ATOM 0 H ALA A 45 20.906 0.433 0.110 1.00 70.54 H new ATOM 0 HA ALA A 45 21.586 -1.829 1.761 1.00 32.52 H new ATOM 0 HB1 ALA A 45 23.293 -2.198 0.010 1.00 1.41 H new ATOM 0 HB2 ALA A 45 21.677 -1.932 -0.688 1.00 1.41 H new ATOM 0 HB3 ALA A 45 22.882 -0.623 -0.711 1.00 1.41 H new ATOM 642 N PHE A 46 23.900 0.504 1.413 1.00 51.34 N ATOM 643 CA PHE A 46 25.031 1.136 2.082 1.00 52.51 C ATOM 644 C PHE A 46 24.576 1.875 3.337 1.00 3.32 C ATOM 645 O PHE A 46 25.372 2.137 4.239 1.00 41.25 O ATOM 646 CB PHE A 46 25.735 2.107 1.132 1.00 41.41 C ATOM 647 CG PHE A 46 27.204 2.256 1.407 1.00 23.50 C ATOM 648 CD1 PHE A 46 28.034 1.146 1.425 1.00 3.25 C ATOM 649 CD2 PHE A 46 27.755 3.504 1.647 1.00 64.04 C ATOM 650 CE1 PHE A 46 29.386 1.280 1.679 1.00 23.22 C ATOM 651 CE2 PHE A 46 29.107 3.644 1.900 1.00 31.24 C ATOM 652 CZ PHE A 46 29.924 2.530 1.916 1.00 55.13 C ATOM 0 H PHE A 46 23.752 0.814 0.453 1.00 51.34 H new ATOM 0 HA PHE A 46 25.731 0.354 2.375 1.00 52.51 H new ATOM 0 HB2 PHE A 46 25.599 1.763 0.107 1.00 41.41 H new ATOM 0 HB3 PHE A 46 25.259 3.085 1.206 1.00 41.41 H new ATOM 0 HD1 PHE A 46 27.620 0.166 1.239 1.00 3.25 H new ATOM 0 HD2 PHE A 46 27.121 4.378 1.636 1.00 64.04 H new ATOM 0 HE1 PHE A 46 30.022 0.407 1.692 1.00 23.22 H new ATOM 0 HE2 PHE A 46 29.524 4.623 2.085 1.00 31.24 H new ATOM 0 HZ PHE A 46 30.981 2.636 2.113 1.00 55.13 H new ATOM 662 N ALA A 47 23.291 2.209 3.387 1.00 33.34 N ATOM 663 CA ALA A 47 22.729 2.916 4.532 1.00 61.33 C ATOM 664 C ALA A 47 22.707 2.026 5.770 1.00 74.12 C ATOM 665 O ALA A 47 22.989 2.481 6.878 1.00 61.32 O ATOM 666 CB ALA A 47 21.327 3.411 4.210 1.00 71.13 C ATOM 0 H ALA A 47 22.619 2.002 2.648 1.00 33.34 H new ATOM 0 HA ALA A 47 23.365 3.775 4.746 1.00 61.33 H new ATOM 0 HB1 ALA A 47 20.920 3.937 5.073 1.00 71.13 H new ATOM 0 HB2 ALA A 47 21.367 4.089 3.358 1.00 71.13 H new ATOM 0 HB3 ALA A 47 20.688 2.562 3.968 1.00 71.13 H new ATOM 672 N ALA A 48 22.368 0.756 5.574 1.00 62.31 N ATOM 673 CA ALA A 48 22.310 -0.198 6.675 1.00 42.13 C ATOM 674 C ALA A 48 23.646 -0.910 6.855 1.00 25.20 C ATOM 675 O ALA A 48 23.880 -1.564 7.871 1.00 45.05 O ATOM 676 CB ALA A 48 21.198 -1.209 6.439 1.00 64.53 C ATOM 0 H ALA A 48 22.129 0.364 4.663 1.00 62.31 H new ATOM 0 HA ALA A 48 22.096 0.354 7.591 1.00 42.13 H new ATOM 0 HB1 ALA A 48 21.166 -1.915 7.269 1.00 64.53 H new ATOM 0 HB2 ALA A 48 20.243 -0.689 6.368 1.00 64.53 H new ATOM 0 HB3 ALA A 48 21.387 -1.748 5.511 1.00 64.53 H new ATOM 682 N GLY A 49 24.521 -0.779 5.862 1.00 74.34 N ATOM 683 CA GLY A 49 25.822 -1.417 5.930 1.00 4.12 C ATOM 684 C GLY A 49 25.801 -2.837 5.400 1.00 3.13 C ATOM 685 O GLY A 49 26.730 -3.610 5.638 1.00 62.12 O ATOM 0 H GLY A 49 24.351 -0.242 5.012 1.00 74.34 H new ATOM 0 HA2 GLY A 49 26.541 -0.830 5.359 1.00 4.12 H new ATOM 0 HA3 GLY A 49 26.166 -1.424 6.964 1.00 4.12 H new ATOM 689 N LEU A 50 24.739 -3.183 4.682 1.00 52.42 N ATOM 690 CA LEU A 50 24.599 -4.521 4.118 1.00 41.33 C ATOM 691 C LEU A 50 25.644 -4.766 3.034 1.00 73.43 C ATOM 692 O LEU A 50 25.686 -4.059 2.027 1.00 60.21 O ATOM 693 CB LEU A 50 23.195 -4.708 3.541 1.00 71.24 C ATOM 694 CG LEU A 50 22.122 -5.177 4.524 1.00 1.02 C ATOM 695 CD1 LEU A 50 22.355 -6.628 4.917 1.00 51.34 C ATOM 696 CD2 LEU A 50 22.103 -4.286 5.757 1.00 11.53 C ATOM 0 H LEU A 50 23.962 -2.556 4.476 1.00 52.42 H new ATOM 0 HA LEU A 50 24.755 -5.245 4.918 1.00 41.33 H new ATOM 0 HB2 LEU A 50 22.873 -3.761 3.107 1.00 71.24 H new ATOM 0 HB3 LEU A 50 23.252 -5.429 2.725 1.00 71.24 H new ATOM 0 HG LEU A 50 21.151 -5.106 4.033 1.00 1.02 H new ATOM 0 HD11 LEU A 50 21.582 -6.944 5.617 1.00 51.34 H new ATOM 0 HD12 LEU A 50 22.318 -7.256 4.027 1.00 51.34 H new ATOM 0 HD13 LEU A 50 23.333 -6.725 5.389 1.00 51.34 H new ATOM 0 HD21 LEU A 50 21.333 -4.634 6.446 1.00 11.53 H new ATOM 0 HD22 LEU A 50 23.075 -4.325 6.249 1.00 11.53 H new ATOM 0 HD23 LEU A 50 21.887 -3.259 5.461 1.00 11.53 H new ATOM 708 N ARG A 51 26.483 -5.774 3.246 1.00 24.41 N ATOM 709 CA ARG A 51 27.527 -6.114 2.287 1.00 63.23 C ATOM 710 C ARG A 51 27.717 -7.626 2.203 1.00 44.12 C ATOM 711 O ARG A 51 27.199 -8.374 3.031 1.00 35.41 O ATOM 712 CB ARG A 51 28.846 -5.445 2.677 1.00 1.43 C ATOM 713 CG ARG A 51 29.295 -4.368 1.702 1.00 33.14 C ATOM 714 CD ARG A 51 30.752 -4.547 1.307 1.00 60.22 C ATOM 715 NE ARG A 51 31.480 -3.281 1.311 1.00 52.02 N ATOM 716 CZ ARG A 51 32.804 -3.194 1.249 1.00 31.20 C ATOM 717 NH1 ARG A 51 33.541 -4.294 1.178 1.00 1.13 N ATOM 718 NH2 ARG A 51 33.393 -2.005 1.257 1.00 21.33 N ATOM 0 H ARG A 51 26.460 -6.370 4.074 1.00 24.41 H new ATOM 0 HA ARG A 51 27.218 -5.749 1.308 1.00 63.23 H new ATOM 0 HB2 ARG A 51 28.741 -5.005 3.668 1.00 1.43 H new ATOM 0 HB3 ARG A 51 29.623 -6.206 2.747 1.00 1.43 H new ATOM 0 HG2 ARG A 51 28.669 -4.399 0.810 1.00 33.14 H new ATOM 0 HG3 ARG A 51 29.157 -3.386 2.154 1.00 33.14 H new ATOM 0 HD2 ARG A 51 31.231 -5.243 1.996 1.00 60.22 H new ATOM 0 HD3 ARG A 51 30.806 -4.993 0.314 1.00 60.22 H new ATOM 0 HE ARG A 51 30.942 -2.416 1.364 1.00 52.02 H new ATOM 0 HH11 ARG A 51 33.091 -5.210 1.171 1.00 1.13 H new ATOM 0 HH12 ARG A 51 34.558 -4.225 1.130 1.00 1.13 H new ATOM 0 HH21 ARG A 51 32.829 -1.157 1.311 1.00 21.33 H new ATOM 0 HH22 ARG A 51 34.410 -1.939 1.209 1.00 21.33 H new ATOM 732 N VAL A 52 28.464 -8.068 1.196 1.00 23.32 N ATOM 733 CA VAL A 52 28.724 -9.490 1.004 1.00 74.11 C ATOM 734 C VAL A 52 29.335 -10.111 2.255 1.00 75.52 C ATOM 735 O VAL A 52 30.423 -9.730 2.682 1.00 43.11 O ATOM 736 CB VAL A 52 29.667 -9.732 -0.189 1.00 70.34 C ATOM 737 CG1 VAL A 52 28.961 -9.421 -1.500 1.00 71.12 C ATOM 738 CG2 VAL A 52 30.932 -8.900 -0.045 1.00 62.12 C ATOM 0 H VAL A 52 28.900 -7.462 0.501 1.00 23.32 H new ATOM 0 HA VAL A 52 27.763 -9.963 0.800 1.00 74.11 H new ATOM 0 HB VAL A 52 29.951 -10.784 -0.198 1.00 70.34 H new ATOM 0 HG11 VAL A 52 29.643 -9.598 -2.332 1.00 71.12 H new ATOM 0 HG12 VAL A 52 28.087 -10.064 -1.604 1.00 71.12 H new ATOM 0 HG13 VAL A 52 28.646 -8.378 -1.505 1.00 71.12 H new ATOM 0 HG21 VAL A 52 31.587 -9.083 -0.897 1.00 62.12 H new ATOM 0 HG22 VAL A 52 30.670 -7.843 -0.010 1.00 62.12 H new ATOM 0 HG23 VAL A 52 31.447 -9.177 0.875 1.00 62.12 H new ATOM 748 N GLY A 53 28.625 -11.073 2.839 1.00 41.24 N ATOM 749 CA GLY A 53 29.114 -11.733 4.035 1.00 15.53 C ATOM 750 C GLY A 53 28.208 -11.510 5.231 1.00 42.04 C ATOM 751 O GLY A 53 28.543 -11.894 6.351 1.00 32.23 O ATOM 0 H GLY A 53 27.721 -11.406 2.505 1.00 41.24 H new ATOM 0 HA2 GLY A 53 29.204 -12.803 3.845 1.00 15.53 H new ATOM 0 HA3 GLY A 53 30.114 -11.365 4.267 1.00 15.53 H new ATOM 755 N ASP A 54 27.060 -10.887 4.993 1.00 54.44 N ATOM 756 CA ASP A 54 26.103 -10.613 6.059 1.00 42.42 C ATOM 757 C ASP A 54 24.947 -11.607 6.021 1.00 63.41 C ATOM 758 O ASP A 54 24.374 -11.866 4.963 1.00 13.13 O ATOM 759 CB ASP A 54 25.568 -9.185 5.938 1.00 12.12 C ATOM 760 CG ASP A 54 24.455 -9.068 4.915 1.00 64.32 C ATOM 761 OD1 ASP A 54 23.317 -9.474 5.228 1.00 52.01 O ATOM 762 OD2 ASP A 54 24.724 -8.572 3.800 1.00 34.04 O ATOM 0 H ASP A 54 26.769 -10.562 4.071 1.00 54.44 H new ATOM 0 HA ASP A 54 26.619 -10.720 7.013 1.00 42.42 H new ATOM 0 HB2 ASP A 54 25.201 -8.854 6.910 1.00 12.12 H new ATOM 0 HB3 ASP A 54 26.384 -8.517 5.661 1.00 12.12 H new ATOM 767 N GLN A 55 24.613 -12.162 7.181 1.00 35.33 N ATOM 768 CA GLN A 55 23.526 -13.130 7.280 1.00 64.14 C ATOM 769 C GLN A 55 22.244 -12.462 7.763 1.00 54.42 C ATOM 770 O GLN A 55 22.250 -11.718 8.745 1.00 63.20 O ATOM 771 CB GLN A 55 23.912 -14.267 8.228 1.00 11.52 C ATOM 772 CG GLN A 55 25.299 -14.832 7.969 1.00 40.45 C ATOM 773 CD GLN A 55 25.521 -16.168 8.649 1.00 65.14 C ATOM 774 OE1 GLN A 55 26.053 -17.103 8.048 1.00 53.40 O ATOM 775 NE2 GLN A 55 25.115 -16.266 9.909 1.00 4.01 N ATOM 0 H GLN A 55 25.079 -11.959 8.065 1.00 35.33 H new ATOM 0 HA GLN A 55 23.347 -13.540 6.286 1.00 64.14 H new ATOM 0 HB2 GLN A 55 23.862 -13.905 9.255 1.00 11.52 H new ATOM 0 HB3 GLN A 55 23.179 -15.069 8.137 1.00 11.52 H new ATOM 0 HG2 GLN A 55 25.446 -14.946 6.895 1.00 40.45 H new ATOM 0 HG3 GLN A 55 26.048 -14.122 8.319 1.00 40.45 H new ATOM 0 HE21 GLN A 55 24.679 -15.466 10.368 1.00 4.01 H new ATOM 0 HE22 GLN A 55 25.239 -17.141 10.418 1.00 4.01 H new ATOM 784 N LEU A 56 21.144 -12.730 7.067 1.00 23.01 N ATOM 785 CA LEU A 56 19.853 -12.154 7.425 1.00 74.10 C ATOM 786 C LEU A 56 18.937 -13.209 8.038 1.00 40.03 C ATOM 787 O LEU A 56 18.459 -14.109 7.346 1.00 3.35 O ATOM 788 CB LEU A 56 19.187 -11.539 6.193 1.00 44.34 C ATOM 789 CG LEU A 56 18.643 -10.120 6.362 1.00 52.11 C ATOM 790 CD1 LEU A 56 17.595 -10.078 7.464 1.00 64.22 C ATOM 791 CD2 LEU A 56 19.774 -9.147 6.661 1.00 13.35 C ATOM 0 H LEU A 56 21.121 -13.343 6.252 1.00 23.01 H new ATOM 0 HA LEU A 56 20.025 -11.373 8.166 1.00 74.10 H new ATOM 0 HB2 LEU A 56 19.911 -11.535 5.378 1.00 44.34 H new ATOM 0 HB3 LEU A 56 18.366 -12.187 5.887 1.00 44.34 H new ATOM 0 HG LEU A 56 18.170 -9.819 5.427 1.00 52.11 H new ATOM 0 HD11 LEU A 56 17.219 -9.060 7.570 1.00 64.22 H new ATOM 0 HD12 LEU A 56 16.771 -10.744 7.208 1.00 64.22 H new ATOM 0 HD13 LEU A 56 18.043 -10.399 8.404 1.00 64.22 H new ATOM 0 HD21 LEU A 56 19.368 -8.142 6.778 1.00 13.35 H new ATOM 0 HD22 LEU A 56 20.277 -9.445 7.581 1.00 13.35 H new ATOM 0 HD23 LEU A 56 20.489 -9.156 5.838 1.00 13.35 H new ATOM 803 N VAL A 57 18.695 -13.091 9.339 1.00 14.24 N ATOM 804 CA VAL A 57 17.833 -14.032 10.045 1.00 23.11 C ATOM 805 C VAL A 57 16.396 -13.528 10.099 1.00 53.43 C ATOM 806 O VAL A 57 15.457 -14.312 10.238 1.00 12.40 O ATOM 807 CB VAL A 57 18.332 -14.281 11.481 1.00 62.41 C ATOM 808 CG1 VAL A 57 19.621 -15.090 11.466 1.00 54.22 C ATOM 809 CG2 VAL A 57 18.529 -12.962 12.213 1.00 62.44 C ATOM 0 H VAL A 57 19.084 -12.353 9.926 1.00 14.24 H new ATOM 0 HA VAL A 57 17.865 -14.969 9.489 1.00 23.11 H new ATOM 0 HB VAL A 57 17.576 -14.857 12.015 1.00 62.41 H new ATOM 0 HG11 VAL A 57 19.958 -15.256 12.489 1.00 54.22 H new ATOM 0 HG12 VAL A 57 19.442 -16.050 10.983 1.00 54.22 H new ATOM 0 HG13 VAL A 57 20.387 -14.544 10.916 1.00 54.22 H new ATOM 0 HG21 VAL A 57 18.882 -13.157 13.226 1.00 62.44 H new ATOM 0 HG22 VAL A 57 19.265 -12.358 11.683 1.00 62.44 H new ATOM 0 HG23 VAL A 57 17.582 -12.425 12.256 1.00 62.44 H new ATOM 819 N ARG A 58 16.231 -12.214 9.987 1.00 51.43 N ATOM 820 CA ARG A 58 14.907 -11.604 10.023 1.00 2.21 C ATOM 821 C ARG A 58 14.361 -11.576 11.447 1.00 15.44 C ATOM 822 O ARG A 58 14.020 -10.515 11.972 1.00 20.10 O ATOM 823 CB ARG A 58 13.945 -12.368 9.111 1.00 2.42 C ATOM 824 CG ARG A 58 13.006 -11.467 8.326 1.00 40.13 C ATOM 825 CD ARG A 58 11.813 -12.241 7.787 1.00 14.55 C ATOM 826 NE ARG A 58 10.710 -12.281 8.744 1.00 21.33 N ATOM 827 CZ ARG A 58 9.948 -11.232 9.032 1.00 35.40 C ATOM 828 NH1 ARG A 58 10.167 -10.067 8.439 1.00 14.23 N ATOM 829 NH2 ARG A 58 8.963 -11.348 9.914 1.00 31.30 N ATOM 0 H ARG A 58 16.998 -11.551 9.871 1.00 51.43 H new ATOM 0 HA ARG A 58 14.997 -10.578 9.666 1.00 2.21 H new ATOM 0 HB2 ARG A 58 14.523 -12.973 8.412 1.00 2.42 H new ATOM 0 HB3 ARG A 58 13.354 -13.056 9.715 1.00 2.42 H new ATOM 0 HG2 ARG A 58 12.657 -10.657 8.967 1.00 40.13 H new ATOM 0 HG3 ARG A 58 13.547 -11.008 7.499 1.00 40.13 H new ATOM 0 HD2 ARG A 58 11.472 -11.782 6.859 1.00 14.55 H new ATOM 0 HD3 ARG A 58 12.120 -13.258 7.545 1.00 14.55 H new ATOM 0 HE ARG A 58 10.514 -13.163 9.217 1.00 21.33 H new ATOM 0 HH11 ARG A 58 10.922 -9.975 7.760 1.00 14.23 H new ATOM 0 HH12 ARG A 58 9.580 -9.263 8.662 1.00 14.23 H new ATOM 0 HH21 ARG A 58 8.791 -12.243 10.371 1.00 31.30 H new ATOM 0 HH22 ARG A 58 8.378 -10.542 10.135 1.00 31.30 H new ATOM 843 N PHE A 59 14.279 -12.748 12.068 1.00 72.14 N ATOM 844 CA PHE A 59 13.772 -12.858 13.431 1.00 62.34 C ATOM 845 C PHE A 59 14.920 -12.977 14.429 1.00 34.04 C ATOM 846 O PHE A 59 15.978 -13.520 14.113 1.00 10.45 O ATOM 847 CB PHE A 59 12.844 -14.069 13.556 1.00 5.41 C ATOM 848 CG PHE A 59 12.438 -14.368 14.971 1.00 53.14 C ATOM 849 CD1 PHE A 59 11.516 -13.566 15.625 1.00 25.10 C ATOM 850 CD2 PHE A 59 12.977 -15.451 15.646 1.00 0.21 C ATOM 851 CE1 PHE A 59 11.140 -13.839 16.927 1.00 53.04 C ATOM 852 CE2 PHE A 59 12.604 -15.729 16.947 1.00 13.25 C ATOM 853 CZ PHE A 59 11.685 -14.921 17.589 1.00 71.31 C ATOM 0 H PHE A 59 14.557 -13.635 11.649 1.00 72.14 H new ATOM 0 HA PHE A 59 13.209 -11.953 13.658 1.00 62.34 H new ATOM 0 HB2 PHE A 59 11.949 -13.894 12.959 1.00 5.41 H new ATOM 0 HB3 PHE A 59 13.342 -14.943 13.137 1.00 5.41 H new ATOM 0 HD1 PHE A 59 11.087 -12.718 15.112 1.00 25.10 H new ATOM 0 HD2 PHE A 59 13.697 -16.085 15.150 1.00 0.21 H new ATOM 0 HE1 PHE A 59 10.421 -13.206 17.426 1.00 53.04 H new ATOM 0 HE2 PHE A 59 13.030 -16.577 17.462 1.00 13.25 H new ATOM 0 HZ PHE A 59 11.394 -15.136 18.607 1.00 71.31 H new ATOM 863 N ALA A 60 14.701 -12.465 15.636 1.00 1.31 N ATOM 864 CA ALA A 60 15.715 -12.514 16.682 1.00 21.10 C ATOM 865 C ALA A 60 15.832 -13.917 17.268 1.00 72.23 C ATOM 866 O ALA A 60 15.763 -14.101 18.482 1.00 25.22 O ATOM 867 CB ALA A 60 15.393 -11.508 17.777 1.00 21.11 C ATOM 0 H ALA A 60 13.830 -12.012 15.913 1.00 1.31 H new ATOM 0 HA ALA A 60 16.675 -12.254 16.236 1.00 21.10 H new ATOM 0 HB1 ALA A 60 16.159 -11.556 18.551 1.00 21.11 H new ATOM 0 HB2 ALA A 60 15.368 -10.504 17.353 1.00 21.11 H new ATOM 0 HB3 ALA A 60 14.422 -11.742 18.212 1.00 21.11 H new ATOM 873 N GLY A 61 16.008 -14.905 16.395 1.00 32.12 N ATOM 874 CA GLY A 61 16.130 -16.279 16.845 1.00 22.34 C ATOM 875 C GLY A 61 17.195 -17.045 16.086 1.00 22.51 C ATOM 876 O GLY A 61 17.395 -18.238 16.317 1.00 72.44 O ATOM 0 H GLY A 61 16.068 -14.778 15.385 1.00 32.12 H new ATOM 0 HA2 GLY A 61 16.368 -16.290 17.909 1.00 22.34 H new ATOM 0 HA3 GLY A 61 15.171 -16.783 16.727 1.00 22.34 H new ATOM 880 N TYR A 62 17.880 -16.360 15.177 1.00 33.12 N ATOM 881 CA TYR A 62 18.927 -16.985 14.378 1.00 3.22 C ATOM 882 C TYR A 62 18.344 -18.040 13.444 1.00 75.22 C ATOM 883 O TYR A 62 18.695 -19.218 13.520 1.00 34.15 O ATOM 884 CB TYR A 62 19.981 -17.619 15.287 1.00 22.32 C ATOM 885 CG TYR A 62 20.397 -16.735 16.441 1.00 43.01 C ATOM 886 CD1 TYR A 62 20.845 -15.438 16.221 1.00 23.11 C ATOM 887 CD2 TYR A 62 20.344 -17.196 17.750 1.00 35.23 C ATOM 888 CE1 TYR A 62 21.227 -14.627 17.272 1.00 43.41 C ATOM 889 CE2 TYR A 62 20.722 -16.391 18.807 1.00 30.43 C ATOM 890 CZ TYR A 62 21.163 -15.108 18.563 1.00 3.40 C ATOM 891 OH TYR A 62 21.543 -14.303 19.613 1.00 34.21 O ATOM 0 H TYR A 62 17.729 -15.372 14.975 1.00 33.12 H new ATOM 0 HA TYR A 62 19.397 -16.210 13.772 1.00 3.22 H new ATOM 0 HB2 TYR A 62 19.591 -18.557 15.681 1.00 22.32 H new ATOM 0 HB3 TYR A 62 20.861 -17.864 14.693 1.00 22.32 H new ATOM 0 HD1 TYR A 62 20.895 -15.058 15.211 1.00 23.11 H new ATOM 0 HD2 TYR A 62 20.001 -18.201 17.945 1.00 35.23 H new ATOM 0 HE1 TYR A 62 21.574 -13.622 17.084 1.00 43.41 H new ATOM 0 HE2 TYR A 62 20.672 -16.765 19.819 1.00 30.43 H new ATOM 0 HH TYR A 62 21.437 -14.792 20.455 1.00 34.21 H new ATOM 901 N THR A 63 17.449 -17.609 12.560 1.00 42.13 N ATOM 902 CA THR A 63 16.815 -18.514 11.610 1.00 62.50 C ATOM 903 C THR A 63 15.915 -17.754 10.642 1.00 24.42 C ATOM 904 O THR A 63 15.118 -16.911 11.052 1.00 2.32 O ATOM 905 CB THR A 63 15.981 -19.591 12.331 1.00 45.34 C ATOM 906 OG1 THR A 63 15.177 -20.302 11.384 1.00 73.41 O ATOM 907 CG2 THR A 63 15.090 -18.964 13.392 1.00 50.10 C ATOM 0 H THR A 63 17.147 -16.638 12.483 1.00 42.13 H new ATOM 0 HA THR A 63 17.616 -18.998 11.052 1.00 62.50 H new ATOM 0 HB THR A 63 16.666 -20.285 12.819 1.00 45.34 H new ATOM 0 HG1 THR A 63 14.651 -20.986 11.849 1.00 73.41 H new ATOM 0 HG21 THR A 63 14.511 -19.743 13.888 1.00 50.10 H new ATOM 0 HG22 THR A 63 15.708 -18.448 14.127 1.00 50.10 H new ATOM 0 HG23 THR A 63 14.412 -18.251 12.923 1.00 50.10 H new ATOM 915 N VAL A 64 16.048 -18.059 9.355 1.00 34.10 N ATOM 916 CA VAL A 64 15.245 -17.406 8.328 1.00 13.44 C ATOM 917 C VAL A 64 14.597 -18.429 7.403 1.00 72.30 C ATOM 918 O VAL A 64 15.066 -19.562 7.285 1.00 1.12 O ATOM 919 CB VAL A 64 16.093 -16.433 7.487 1.00 72.51 C ATOM 920 CG1 VAL A 64 17.050 -17.201 6.587 1.00 15.20 C ATOM 921 CG2 VAL A 64 15.196 -15.517 6.668 1.00 65.23 C ATOM 0 H VAL A 64 16.704 -18.754 8.999 1.00 34.10 H new ATOM 0 HA VAL A 64 14.467 -16.845 8.845 1.00 13.44 H new ATOM 0 HB VAL A 64 16.684 -15.815 8.162 1.00 72.51 H new ATOM 0 HG11 VAL A 64 17.641 -16.498 6.000 1.00 15.20 H new ATOM 0 HG12 VAL A 64 17.714 -17.811 7.199 1.00 15.20 H new ATOM 0 HG13 VAL A 64 16.481 -17.845 5.916 1.00 15.20 H new ATOM 0 HG21 VAL A 64 15.811 -14.836 6.080 1.00 65.23 H new ATOM 0 HG22 VAL A 64 14.577 -16.116 6.000 1.00 65.23 H new ATOM 0 HG23 VAL A 64 14.556 -14.942 7.337 1.00 65.23 H new ATOM 931 N THR A 65 13.514 -18.024 6.746 1.00 4.21 N ATOM 932 CA THR A 65 12.801 -18.905 5.831 1.00 34.51 C ATOM 933 C THR A 65 13.541 -19.037 4.505 1.00 30.41 C ATOM 934 O THR A 65 14.197 -20.046 4.248 1.00 34.42 O ATOM 935 CB THR A 65 11.372 -18.397 5.560 1.00 3.51 C ATOM 936 OG1 THR A 65 10.616 -18.389 6.776 1.00 71.41 O ATOM 937 CG2 THR A 65 10.674 -19.268 4.528 1.00 71.55 C ATOM 0 H THR A 65 13.112 -17.090 6.831 1.00 4.21 H new ATOM 0 HA THR A 65 12.746 -19.882 6.312 1.00 34.51 H new ATOM 0 HB THR A 65 11.439 -17.382 5.168 1.00 3.51 H new ATOM 0 HG1 THR A 65 9.710 -18.063 6.595 1.00 71.41 H new ATOM 0 HG21 THR A 65 9.667 -18.889 4.354 1.00 71.55 H new ATOM 0 HG22 THR A 65 11.236 -19.247 3.594 1.00 71.55 H new ATOM 0 HG23 THR A 65 10.618 -20.293 4.895 1.00 71.55 H new ATOM 945 N GLU A 66 13.432 -18.011 3.667 1.00 71.21 N ATOM 946 CA GLU A 66 14.092 -18.014 2.367 1.00 60.33 C ATOM 947 C GLU A 66 14.309 -16.590 1.863 1.00 34.22 C ATOM 948 O GLU A 66 13.961 -15.621 2.539 1.00 52.21 O ATOM 949 CB GLU A 66 13.264 -18.806 1.352 1.00 45.43 C ATOM 950 CG GLU A 66 11.892 -18.209 1.088 1.00 62.00 C ATOM 951 CD GLU A 66 10.848 -19.263 0.778 1.00 75.44 C ATOM 952 OE1 GLU A 66 10.816 -20.294 1.482 1.00 12.44 O ATOM 953 OE2 GLU A 66 10.061 -19.058 -0.171 1.00 4.42 O ATOM 0 H GLU A 66 12.893 -17.168 3.865 1.00 71.21 H new ATOM 0 HA GLU A 66 15.065 -18.491 2.483 1.00 60.33 H new ATOM 0 HB2 GLU A 66 13.813 -18.862 0.412 1.00 45.43 H new ATOM 0 HB3 GLU A 66 13.143 -19.828 1.712 1.00 45.43 H new ATOM 0 HG2 GLU A 66 11.576 -17.635 1.959 1.00 62.00 H new ATOM 0 HG3 GLU A 66 11.958 -17.511 0.253 1.00 62.00 H new ATOM 960 N LEU A 67 14.886 -16.472 0.673 1.00 52.54 N ATOM 961 CA LEU A 67 15.150 -15.166 0.077 1.00 21.22 C ATOM 962 C LEU A 67 13.848 -14.448 -0.262 1.00 35.45 C ATOM 963 O LEU A 67 13.752 -13.227 -0.145 1.00 60.13 O ATOM 964 CB LEU A 67 16.003 -15.322 -1.183 1.00 55.14 C ATOM 965 CG LEU A 67 15.504 -16.340 -2.209 1.00 73.04 C ATOM 966 CD1 LEU A 67 14.698 -15.649 -3.299 1.00 33.35 C ATOM 967 CD2 LEU A 67 16.672 -17.106 -2.813 1.00 3.34 C ATOM 0 H LEU A 67 15.180 -17.264 0.101 1.00 52.54 H new ATOM 0 HA LEU A 67 15.695 -14.565 0.805 1.00 21.22 H new ATOM 0 HB2 LEU A 67 16.076 -14.350 -1.671 1.00 55.14 H new ATOM 0 HB3 LEU A 67 17.012 -15.604 -0.882 1.00 55.14 H new ATOM 0 HG LEU A 67 14.854 -17.051 -1.699 1.00 73.04 H new ATOM 0 HD11 LEU A 67 14.351 -16.389 -4.020 1.00 33.35 H new ATOM 0 HD12 LEU A 67 13.839 -15.147 -2.853 1.00 33.35 H new ATOM 0 HD13 LEU A 67 15.325 -14.915 -3.806 1.00 33.35 H new ATOM 0 HD21 LEU A 67 16.298 -17.826 -3.541 1.00 3.34 H new ATOM 0 HD22 LEU A 67 17.348 -16.408 -3.307 1.00 3.34 H new ATOM 0 HD23 LEU A 67 17.208 -17.633 -2.024 1.00 3.34 H new ATOM 979 N ALA A 68 12.846 -15.216 -0.679 1.00 21.11 N ATOM 980 CA ALA A 68 11.548 -14.654 -1.030 1.00 71.11 C ATOM 981 C ALA A 68 10.955 -13.871 0.136 1.00 0.13 C ATOM 982 O ALA A 68 10.318 -12.836 -0.059 1.00 34.44 O ATOM 983 CB ALA A 68 10.595 -15.758 -1.466 1.00 4.33 C ATOM 0 H ALA A 68 12.909 -16.229 -0.782 1.00 21.11 H new ATOM 0 HA ALA A 68 11.692 -13.964 -1.861 1.00 71.11 H new ATOM 0 HB1 ALA A 68 9.629 -15.324 -1.725 1.00 4.33 H new ATOM 0 HB2 ALA A 68 11.007 -16.272 -2.335 1.00 4.33 H new ATOM 0 HB3 ALA A 68 10.466 -16.470 -0.651 1.00 4.33 H new ATOM 989 N ALA A 69 11.169 -14.371 1.349 1.00 72.53 N ATOM 990 CA ALA A 69 10.657 -13.718 2.546 1.00 15.44 C ATOM 991 C ALA A 69 11.319 -12.360 2.757 1.00 71.22 C ATOM 992 O ALA A 69 10.656 -11.381 3.098 1.00 54.32 O ATOM 993 CB ALA A 69 10.869 -14.605 3.764 1.00 52.00 C ATOM 0 H ALA A 69 11.694 -15.227 1.528 1.00 72.53 H new ATOM 0 HA ALA A 69 9.588 -13.555 2.411 1.00 15.44 H new ATOM 0 HB1 ALA A 69 10.481 -14.104 4.651 1.00 52.00 H new ATOM 0 HB2 ALA A 69 10.344 -15.549 3.622 1.00 52.00 H new ATOM 0 HB3 ALA A 69 11.934 -14.798 3.893 1.00 52.00 H new ATOM 999 N PHE A 70 12.631 -12.309 2.552 1.00 30.31 N ATOM 1000 CA PHE A 70 13.384 -11.072 2.721 1.00 14.31 C ATOM 1001 C PHE A 70 13.013 -10.058 1.642 1.00 31.15 C ATOM 1002 O PHE A 70 12.926 -8.860 1.906 1.00 43.52 O ATOM 1003 CB PHE A 70 14.887 -11.354 2.677 1.00 52.03 C ATOM 1004 CG PHE A 70 15.733 -10.136 2.914 1.00 53.35 C ATOM 1005 CD1 PHE A 70 15.421 -9.246 3.929 1.00 72.20 C ATOM 1006 CD2 PHE A 70 16.840 -9.880 2.120 1.00 15.32 C ATOM 1007 CE1 PHE A 70 16.197 -8.124 4.150 1.00 64.21 C ATOM 1008 CE2 PHE A 70 17.620 -8.760 2.337 1.00 50.23 C ATOM 1009 CZ PHE A 70 17.298 -7.880 3.352 1.00 71.41 C ATOM 0 H PHE A 70 13.195 -13.110 2.269 1.00 30.31 H new ATOM 0 HA PHE A 70 13.129 -10.651 3.694 1.00 14.31 H new ATOM 0 HB2 PHE A 70 15.129 -12.106 3.427 1.00 52.03 H new ATOM 0 HB3 PHE A 70 15.140 -11.779 1.706 1.00 52.03 H new ATOM 0 HD1 PHE A 70 14.561 -9.431 4.555 1.00 72.20 H new ATOM 0 HD2 PHE A 70 17.096 -10.563 1.323 1.00 15.32 H new ATOM 0 HE1 PHE A 70 15.943 -7.439 4.945 1.00 64.21 H new ATOM 0 HE2 PHE A 70 18.481 -8.573 1.713 1.00 50.23 H new ATOM 0 HZ PHE A 70 17.906 -7.003 3.521 1.00 71.41 H new ATOM 1019 N ASN A 71 12.796 -10.549 0.427 1.00 71.43 N ATOM 1020 CA ASN A 71 12.436 -9.687 -0.693 1.00 33.10 C ATOM 1021 C ASN A 71 10.999 -9.192 -0.558 1.00 0.32 C ATOM 1022 O ASN A 71 10.669 -8.084 -0.983 1.00 62.14 O ATOM 1023 CB ASN A 71 12.606 -10.436 -2.016 1.00 64.21 C ATOM 1024 CG ASN A 71 12.580 -9.507 -3.214 1.00 43.12 C ATOM 1025 OD1 ASN A 71 12.705 -8.290 -3.073 1.00 34.31 O ATOM 1026 ND2 ASN A 71 12.418 -10.078 -4.402 1.00 52.21 N ATOM 0 H ASN A 71 12.863 -11.539 0.192 1.00 71.43 H new ATOM 0 HA ASN A 71 13.102 -8.824 -0.683 1.00 33.10 H new ATOM 0 HB2 ASN A 71 13.550 -10.981 -2.003 1.00 64.21 H new ATOM 0 HB3 ASN A 71 11.812 -11.176 -2.116 1.00 64.21 H new ATOM 0 HD21 ASN A 71 12.393 -9.504 -5.245 1.00 52.21 H new ATOM 0 HD22 ASN A 71 12.318 -11.091 -4.472 1.00 52.21 H new ATOM 1033 N THR A 72 10.147 -10.020 0.038 1.00 12.24 N ATOM 1034 CA THR A 72 8.746 -9.667 0.230 1.00 73.14 C ATOM 1035 C THR A 72 8.590 -8.593 1.300 1.00 21.33 C ATOM 1036 O THR A 72 7.849 -7.627 1.122 1.00 74.03 O ATOM 1037 CB THR A 72 7.906 -10.896 0.626 1.00 60.34 C ATOM 1038 OG1 THR A 72 7.941 -11.872 -0.422 1.00 51.32 O ATOM 1039 CG2 THR A 72 6.465 -10.499 0.908 1.00 71.12 C ATOM 0 H THR A 72 10.403 -10.940 0.396 1.00 12.24 H new ATOM 0 HA THR A 72 8.385 -9.281 -0.723 1.00 73.14 H new ATOM 0 HB THR A 72 8.333 -11.323 1.534 1.00 60.34 H new ATOM 0 HG1 THR A 72 8.866 -12.160 -0.570 1.00 51.32 H new ATOM 0 HG21 THR A 72 5.892 -11.383 1.186 1.00 71.12 H new ATOM 0 HG22 THR A 72 6.439 -9.779 1.726 1.00 71.12 H new ATOM 0 HG23 THR A 72 6.030 -10.050 0.015 1.00 71.12 H new ATOM 1047 N VAL A 73 9.295 -8.768 2.414 1.00 73.01 N ATOM 1048 CA VAL A 73 9.236 -7.812 3.514 1.00 61.45 C ATOM 1049 C VAL A 73 9.839 -6.472 3.109 1.00 2.22 C ATOM 1050 O VAL A 73 9.317 -5.413 3.459 1.00 63.10 O ATOM 1051 CB VAL A 73 9.975 -8.341 4.757 1.00 64.41 C ATOM 1052 CG1 VAL A 73 9.267 -9.564 5.319 1.00 21.34 C ATOM 1053 CG2 VAL A 73 11.423 -8.662 4.419 1.00 65.22 C ATOM 0 H VAL A 73 9.913 -9.562 2.578 1.00 73.01 H new ATOM 0 HA VAL A 73 8.183 -7.674 3.758 1.00 61.45 H new ATOM 0 HB VAL A 73 9.968 -7.563 5.521 1.00 64.41 H new ATOM 0 HG11 VAL A 73 9.804 -9.924 6.197 1.00 21.34 H new ATOM 0 HG12 VAL A 73 8.248 -9.297 5.600 1.00 21.34 H new ATOM 0 HG13 VAL A 73 9.241 -10.349 4.563 1.00 21.34 H new ATOM 0 HG21 VAL A 73 11.930 -9.035 5.309 1.00 65.22 H new ATOM 0 HG22 VAL A 73 11.455 -9.422 3.638 1.00 65.22 H new ATOM 0 HG23 VAL A 73 11.923 -7.760 4.067 1.00 65.22 H new ATOM 1063 N VAL A 74 10.942 -6.524 2.369 1.00 23.43 N ATOM 1064 CA VAL A 74 11.617 -5.314 1.915 1.00 33.12 C ATOM 1065 C VAL A 74 10.763 -4.556 0.905 1.00 44.23 C ATOM 1066 O VAL A 74 10.646 -3.333 0.970 1.00 44.53 O ATOM 1067 CB VAL A 74 12.981 -5.637 1.278 1.00 23.33 C ATOM 1068 CG1 VAL A 74 13.567 -4.401 0.614 1.00 51.33 C ATOM 1069 CG2 VAL A 74 13.937 -6.195 2.322 1.00 2.11 C ATOM 0 H VAL A 74 11.387 -7.392 2.071 1.00 23.43 H new ATOM 0 HA VAL A 74 11.775 -4.690 2.795 1.00 33.12 H new ATOM 0 HB VAL A 74 12.833 -6.396 0.510 1.00 23.33 H new ATOM 0 HG11 VAL A 74 14.531 -4.649 0.170 1.00 51.33 H new ATOM 0 HG12 VAL A 74 12.889 -4.049 -0.163 1.00 51.33 H new ATOM 0 HG13 VAL A 74 13.702 -3.617 1.359 1.00 51.33 H new ATOM 0 HG21 VAL A 74 14.896 -6.418 1.855 1.00 2.11 H new ATOM 0 HG22 VAL A 74 14.081 -5.460 3.113 1.00 2.11 H new ATOM 0 HG23 VAL A 74 13.519 -7.108 2.747 1.00 2.11 H new ATOM 1079 N ALA A 75 10.168 -5.291 -0.029 1.00 4.00 N ATOM 1080 CA ALA A 75 9.323 -4.688 -1.052 1.00 62.33 C ATOM 1081 C ALA A 75 7.997 -4.219 -0.463 1.00 23.30 C ATOM 1082 O ALA A 75 7.522 -3.127 -0.772 1.00 54.34 O ATOM 1083 CB ALA A 75 9.080 -5.675 -2.184 1.00 61.25 C ATOM 0 H ALA A 75 10.256 -6.305 -0.098 1.00 4.00 H new ATOM 0 HA ALA A 75 9.842 -3.816 -1.450 1.00 62.33 H new ATOM 0 HB1 ALA A 75 8.447 -5.212 -2.941 1.00 61.25 H new ATOM 0 HB2 ALA A 75 10.033 -5.958 -2.631 1.00 61.25 H new ATOM 0 HB3 ALA A 75 8.585 -6.564 -1.792 1.00 61.25 H new ATOM 1089 N ARG A 76 7.405 -5.052 0.387 1.00 61.13 N ATOM 1090 CA ARG A 76 6.133 -4.723 1.018 1.00 53.24 C ATOM 1091 C ARG A 76 6.283 -3.527 1.954 1.00 64.32 C ATOM 1092 O ARG A 76 5.559 -2.538 1.836 1.00 23.12 O ATOM 1093 CB ARG A 76 5.597 -5.927 1.794 1.00 61.54 C ATOM 1094 CG ARG A 76 5.004 -7.009 0.906 1.00 64.34 C ATOM 1095 CD ARG A 76 3.840 -6.479 0.084 1.00 60.35 C ATOM 1096 NE ARG A 76 2.840 -7.511 -0.178 1.00 21.10 N ATOM 1097 CZ ARG A 76 2.974 -8.444 -1.114 1.00 25.44 C ATOM 1098 NH1 ARG A 76 4.061 -8.475 -1.872 1.00 63.44 N ATOM 1099 NH2 ARG A 76 2.021 -9.350 -1.291 1.00 53.44 N ATOM 0 H ARG A 76 7.786 -5.960 0.654 1.00 61.13 H new ATOM 0 HA ARG A 76 5.424 -4.461 0.232 1.00 53.24 H new ATOM 0 HB2 ARG A 76 6.406 -6.357 2.385 1.00 61.54 H new ATOM 0 HB3 ARG A 76 4.835 -5.587 2.496 1.00 61.54 H new ATOM 0 HG2 ARG A 76 5.774 -7.397 0.240 1.00 64.34 H new ATOM 0 HG3 ARG A 76 4.666 -7.842 1.522 1.00 64.34 H new ATOM 0 HD2 ARG A 76 3.373 -5.647 0.611 1.00 60.35 H new ATOM 0 HD3 ARG A 76 4.213 -6.087 -0.862 1.00 60.35 H new ATOM 0 HE ARG A 76 1.992 -7.515 0.389 1.00 21.10 H new ATOM 0 HH11 ARG A 76 4.797 -7.782 -1.737 1.00 63.44 H new ATOM 0 HH12 ARG A 76 4.162 -9.192 -2.590 1.00 63.44 H new ATOM 0 HH21 ARG A 76 1.184 -9.331 -0.708 1.00 53.44 H new ATOM 0 HH22 ARG A 76 2.125 -10.066 -2.010 1.00 53.44 H new ATOM 1113 N HIS A 77 7.228 -3.626 2.884 1.00 41.22 N ATOM 1114 CA HIS A 77 7.474 -2.553 3.841 1.00 51.45 C ATOM 1115 C HIS A 77 8.374 -1.480 3.234 1.00 12.13 C ATOM 1116 O HIS A 77 9.404 -1.123 3.806 1.00 30.43 O ATOM 1117 CB HIS A 77 8.112 -3.111 5.113 1.00 62.13 C ATOM 1118 CG HIS A 77 7.548 -4.433 5.535 1.00 5.21 C ATOM 1119 ND1 HIS A 77 6.217 -4.762 5.395 1.00 32.42 N ATOM 1120 CD2 HIS A 77 8.145 -5.511 6.095 1.00 34.23 C ATOM 1121 CE1 HIS A 77 6.018 -5.986 5.853 1.00 51.43 C ATOM 1122 NE2 HIS A 77 7.172 -6.462 6.283 1.00 61.41 N ATOM 0 H HIS A 77 7.835 -4.438 2.995 1.00 41.22 H new ATOM 0 HA HIS A 77 6.516 -2.099 4.094 1.00 51.45 H new ATOM 0 HB2 HIS A 77 9.185 -3.217 4.955 1.00 62.13 H new ATOM 0 HB3 HIS A 77 7.978 -2.393 5.922 1.00 62.13 H new ATOM 0 HD2 HIS A 77 9.191 -5.606 6.347 1.00 34.23 H new ATOM 0 HE1 HIS A 77 5.073 -6.508 5.872 1.00 51.43 H new ATOM 0 HE2 HIS A 77 7.317 -7.386 6.689 1.00 61.41 H new ATOM 1130 N VAL A 78 7.978 -0.970 2.072 1.00 1.44 N ATOM 1131 CA VAL A 78 8.748 0.062 1.389 1.00 45.33 C ATOM 1132 C VAL A 78 8.201 1.451 1.697 1.00 42.53 C ATOM 1133 O VAL A 78 8.099 2.300 0.811 1.00 50.13 O ATOM 1134 CB VAL A 78 8.745 -0.152 -0.137 1.00 34.45 C ATOM 1135 CG1 VAL A 78 7.355 0.090 -0.706 1.00 63.35 C ATOM 1136 CG2 VAL A 78 9.769 0.753 -0.804 1.00 71.21 C ATOM 0 H VAL A 78 7.129 -1.255 1.584 1.00 1.44 H new ATOM 0 HA VAL A 78 9.771 -0.012 1.757 1.00 45.33 H new ATOM 0 HB VAL A 78 9.021 -1.186 -0.343 1.00 34.45 H new ATOM 0 HG11 VAL A 78 7.371 -0.066 -1.785 1.00 63.35 H new ATOM 0 HG12 VAL A 78 6.649 -0.604 -0.250 1.00 63.35 H new ATOM 0 HG13 VAL A 78 7.047 1.113 -0.492 1.00 63.35 H new ATOM 0 HG21 VAL A 78 9.753 0.588 -1.881 1.00 71.21 H new ATOM 0 HG22 VAL A 78 9.527 1.794 -0.592 1.00 71.21 H new ATOM 0 HG23 VAL A 78 10.762 0.526 -0.417 1.00 71.21 H new ATOM 1146 N ARG A 79 7.851 1.677 2.959 1.00 70.02 N ATOM 1147 CA ARG A 79 7.313 2.964 3.384 1.00 21.42 C ATOM 1148 C ARG A 79 8.418 4.012 3.474 1.00 22.10 C ATOM 1149 O ARG A 79 9.605 3.694 3.547 1.00 23.51 O ATOM 1150 CB ARG A 79 6.615 2.826 4.738 1.00 32.23 C ATOM 1151 CG ARG A 79 5.117 2.591 4.630 1.00 10.41 C ATOM 1152 CD ARG A 79 4.647 1.528 5.611 1.00 41.52 C ATOM 1153 NE ARG A 79 3.434 1.932 6.316 1.00 54.41 N ATOM 1154 CZ ARG A 79 2.919 1.258 7.338 1.00 13.10 C ATOM 1155 NH1 ARG A 79 3.509 0.153 7.772 1.00 11.24 N ATOM 1156 NH2 ARG A 79 1.811 1.689 7.928 1.00 2.23 N ATOM 0 H ARG A 79 7.930 0.986 3.705 1.00 70.02 H new ATOM 0 HA ARG A 79 6.587 3.290 2.640 1.00 21.42 H new ATOM 0 HB2 ARG A 79 7.065 1.999 5.287 1.00 32.23 H new ATOM 0 HB3 ARG A 79 6.791 3.729 5.322 1.00 32.23 H new ATOM 0 HG2 ARG A 79 4.587 3.524 4.821 1.00 10.41 H new ATOM 0 HG3 ARG A 79 4.868 2.285 3.614 1.00 10.41 H new ATOM 0 HD2 ARG A 79 4.462 0.597 5.075 1.00 41.52 H new ATOM 0 HD3 ARG A 79 5.437 1.328 6.335 1.00 41.52 H new ATOM 0 HE ARG A 79 2.956 2.778 6.007 1.00 54.41 H new ATOM 0 HH11 ARG A 79 4.361 -0.181 7.321 1.00 11.24 H new ATOM 0 HH12 ARG A 79 3.111 -0.363 8.557 1.00 11.24 H new ATOM 0 HH21 ARG A 79 1.354 2.539 7.597 1.00 2.23 H new ATOM 0 HH22 ARG A 79 1.416 1.171 8.713 1.00 2.23 H new ATOM 1170 N PRO A 80 8.021 5.293 3.468 1.00 31.00 N ATOM 1171 CA PRO A 80 8.962 6.414 3.548 1.00 11.11 C ATOM 1172 C PRO A 80 9.619 6.522 4.920 1.00 43.22 C ATOM 1173 O PRO A 80 8.984 6.928 5.893 1.00 50.22 O ATOM 1174 CB PRO A 80 8.081 7.637 3.280 1.00 71.45 C ATOM 1175 CG PRO A 80 6.712 7.215 3.690 1.00 23.12 C ATOM 1176 CD PRO A 80 6.622 5.746 3.383 1.00 22.31 C ATOM 0 HA PRO A 80 9.788 6.304 2.845 1.00 11.11 H new ATOM 0 HB2 PRO A 80 8.417 8.501 3.854 1.00 71.45 H new ATOM 0 HB3 PRO A 80 8.109 7.922 2.228 1.00 71.45 H new ATOM 0 HG2 PRO A 80 6.547 7.403 4.751 1.00 23.12 H new ATOM 0 HG3 PRO A 80 5.952 7.775 3.145 1.00 23.12 H new ATOM 0 HD2 PRO A 80 5.987 5.224 4.099 1.00 22.31 H new ATOM 0 HD3 PRO A 80 6.201 5.567 2.393 1.00 22.31 H new ATOM 1184 N SER A 81 10.895 6.157 4.990 1.00 64.12 N ATOM 1185 CA SER A 81 11.638 6.210 6.244 1.00 71.13 C ATOM 1186 C SER A 81 11.043 5.249 7.269 1.00 51.05 C ATOM 1187 O SER A 81 10.464 5.672 8.269 1.00 62.40 O ATOM 1188 CB SER A 81 11.636 7.634 6.802 1.00 2.31 C ATOM 1189 OG SER A 81 12.757 7.855 7.641 1.00 32.51 O ATOM 0 H SER A 81 11.436 5.821 4.193 1.00 64.12 H new ATOM 0 HA SER A 81 12.666 5.908 6.042 1.00 71.13 H new ATOM 0 HB2 SER A 81 11.646 8.350 5.980 1.00 2.31 H new ATOM 0 HB3 SER A 81 10.718 7.807 7.364 1.00 2.31 H new ATOM 0 HG SER A 81 12.733 8.773 7.984 1.00 32.51 H new ATOM 1195 N ALA A 82 11.190 3.954 7.011 1.00 71.43 N ATOM 1196 CA ALA A 82 10.669 2.932 7.911 1.00 65.25 C ATOM 1197 C ALA A 82 11.797 2.251 8.678 1.00 21.54 C ATOM 1198 O ALA A 82 12.555 1.461 8.116 1.00 63.31 O ATOM 1199 CB ALA A 82 9.863 1.904 7.131 1.00 33.33 C ATOM 0 H ALA A 82 11.665 3.587 6.186 1.00 71.43 H new ATOM 0 HA ALA A 82 10.014 3.418 8.634 1.00 65.25 H new ATOM 0 HB1 ALA A 82 9.480 1.147 7.815 1.00 33.33 H new ATOM 0 HB2 ALA A 82 9.029 2.398 6.632 1.00 33.33 H new ATOM 0 HB3 ALA A 82 10.502 1.430 6.386 1.00 33.33 H new ATOM 1205 N SER A 83 11.902 2.562 9.966 1.00 3.03 N ATOM 1206 CA SER A 83 12.941 1.983 10.810 1.00 12.05 C ATOM 1207 C SER A 83 12.483 0.652 11.399 1.00 62.23 C ATOM 1208 O SER A 83 11.796 0.616 12.420 1.00 74.44 O ATOM 1209 CB SER A 83 13.311 2.951 11.936 1.00 31.42 C ATOM 1210 OG SER A 83 12.938 4.278 11.610 1.00 4.55 O ATOM 0 H SER A 83 11.280 3.212 10.448 1.00 3.03 H new ATOM 0 HA SER A 83 13.820 1.804 10.191 1.00 12.05 H new ATOM 0 HB2 SER A 83 12.816 2.647 12.858 1.00 31.42 H new ATOM 0 HB3 SER A 83 14.384 2.906 12.120 1.00 31.42 H new ATOM 0 HG SER A 83 13.183 4.877 12.346 1.00 4.55 H new ATOM 1216 N ILE A 84 12.870 -0.440 10.747 1.00 14.21 N ATOM 1217 CA ILE A 84 12.501 -1.773 11.205 1.00 35.33 C ATOM 1218 C ILE A 84 13.707 -2.512 11.775 1.00 73.54 C ATOM 1219 O ILE A 84 14.779 -2.560 11.171 1.00 74.12 O ATOM 1220 CB ILE A 84 11.890 -2.611 10.066 1.00 31.03 C ATOM 1221 CG1 ILE A 84 11.388 -3.953 10.603 1.00 12.14 C ATOM 1222 CG2 ILE A 84 12.912 -2.826 8.960 1.00 22.13 C ATOM 1223 CD1 ILE A 84 10.787 -4.843 9.539 1.00 73.25 C ATOM 0 H ILE A 84 13.439 -0.427 9.900 1.00 14.21 H new ATOM 0 HA ILE A 84 11.755 -1.642 11.989 1.00 35.33 H new ATOM 0 HB ILE A 84 11.042 -2.068 9.650 1.00 31.03 H new ATOM 0 HG12 ILE A 84 12.217 -4.478 11.078 1.00 12.14 H new ATOM 0 HG13 ILE A 84 10.642 -3.770 11.376 1.00 12.14 H new ATOM 0 HG21 ILE A 84 12.465 -3.420 8.162 1.00 22.13 H new ATOM 0 HG22 ILE A 84 13.226 -1.861 8.562 1.00 22.13 H new ATOM 0 HG23 ILE A 84 13.778 -3.352 9.362 1.00 22.13 H new ATOM 0 HD11 ILE A 84 10.453 -5.777 9.992 1.00 73.25 H new ATOM 0 HD12 ILE A 84 9.937 -4.338 9.079 1.00 73.25 H new ATOM 0 HD13 ILE A 84 11.537 -5.057 8.778 1.00 73.25 H new ATOM 1235 N PRO A 85 13.530 -3.105 12.965 1.00 72.44 N ATOM 1236 CA PRO A 85 14.592 -3.856 13.641 1.00 41.30 C ATOM 1237 C PRO A 85 14.922 -5.163 12.929 1.00 42.12 C ATOM 1238 O PRO A 85 14.037 -5.973 12.654 1.00 54.43 O ATOM 1239 CB PRO A 85 14.003 -4.135 15.026 1.00 75.23 C ATOM 1240 CG PRO A 85 12.527 -4.105 14.822 1.00 0.13 C ATOM 1241 CD PRO A 85 12.279 -3.089 13.741 1.00 32.53 C ATOM 0 HA PRO A 85 15.530 -3.302 13.666 1.00 41.30 H new ATOM 0 HB2 PRO A 85 14.330 -5.102 15.408 1.00 75.23 H new ATOM 0 HB3 PRO A 85 14.318 -3.383 15.749 1.00 75.23 H new ATOM 0 HG2 PRO A 85 12.154 -5.086 14.529 1.00 0.13 H new ATOM 0 HG3 PRO A 85 12.011 -3.830 15.742 1.00 0.13 H new ATOM 0 HD2 PRO A 85 11.421 -3.358 13.125 1.00 32.53 H new ATOM 0 HD3 PRO A 85 12.076 -2.102 14.156 1.00 32.53 H new ATOM 1249 N VAL A 86 16.203 -5.363 12.633 1.00 74.33 N ATOM 1250 CA VAL A 86 16.650 -6.574 11.954 1.00 51.43 C ATOM 1251 C VAL A 86 17.850 -7.190 12.663 1.00 31.35 C ATOM 1252 O VAL A 86 18.756 -6.482 13.103 1.00 21.42 O ATOM 1253 CB VAL A 86 17.025 -6.288 10.487 1.00 24.25 C ATOM 1254 CG1 VAL A 86 17.548 -7.549 9.815 1.00 1.50 C ATOM 1255 CG2 VAL A 86 15.831 -5.727 9.731 1.00 34.05 C ATOM 0 H VAL A 86 16.949 -4.703 12.853 1.00 74.33 H new ATOM 0 HA VAL A 86 15.817 -7.277 11.978 1.00 51.43 H new ATOM 0 HB VAL A 86 17.818 -5.541 10.472 1.00 24.25 H new ATOM 0 HG11 VAL A 86 17.808 -7.328 8.780 1.00 1.50 H new ATOM 0 HG12 VAL A 86 18.433 -7.903 10.344 1.00 1.50 H new ATOM 0 HG13 VAL A 86 16.778 -8.320 9.839 1.00 1.50 H new ATOM 0 HG21 VAL A 86 16.114 -5.531 8.697 1.00 34.05 H new ATOM 0 HG22 VAL A 86 15.015 -6.449 9.753 1.00 34.05 H new ATOM 0 HG23 VAL A 86 15.507 -4.798 10.200 1.00 34.05 H new ATOM 1265 N VAL A 87 17.850 -8.515 12.771 1.00 20.25 N ATOM 1266 CA VAL A 87 18.940 -9.229 13.427 1.00 52.35 C ATOM 1267 C VAL A 87 19.928 -9.780 12.405 1.00 21.01 C ATOM 1268 O VAL A 87 19.534 -10.389 11.410 1.00 23.33 O ATOM 1269 CB VAL A 87 18.411 -10.389 14.291 1.00 4.32 C ATOM 1270 CG1 VAL A 87 19.563 -11.242 14.801 1.00 75.52 C ATOM 1271 CG2 VAL A 87 17.580 -9.855 15.448 1.00 41.31 C ATOM 0 H VAL A 87 17.108 -9.116 12.413 1.00 20.25 H new ATOM 0 HA VAL A 87 19.449 -8.510 14.070 1.00 52.35 H new ATOM 0 HB VAL A 87 17.770 -11.017 13.673 1.00 4.32 H new ATOM 0 HG11 VAL A 87 19.171 -12.057 15.410 1.00 75.52 H new ATOM 0 HG12 VAL A 87 20.113 -11.653 13.955 1.00 75.52 H new ATOM 0 HG13 VAL A 87 20.231 -10.628 15.404 1.00 75.52 H new ATOM 0 HG21 VAL A 87 17.214 -10.688 16.048 1.00 41.31 H new ATOM 0 HG22 VAL A 87 18.196 -9.204 16.068 1.00 41.31 H new ATOM 0 HG23 VAL A 87 16.734 -9.290 15.058 1.00 41.31 H new ATOM 1281 N PHE A 88 21.215 -9.563 12.658 1.00 54.45 N ATOM 1282 CA PHE A 88 22.261 -10.037 11.759 1.00 32.45 C ATOM 1283 C PHE A 88 23.257 -10.921 12.504 1.00 2.13 C ATOM 1284 O PHE A 88 23.529 -10.709 13.686 1.00 35.22 O ATOM 1285 CB PHE A 88 22.990 -8.854 11.121 1.00 51.44 C ATOM 1286 CG PHE A 88 24.470 -9.067 10.979 1.00 10.54 C ATOM 1287 CD1 PHE A 88 24.978 -9.824 9.936 1.00 52.41 C ATOM 1288 CD2 PHE A 88 25.353 -8.509 11.890 1.00 64.33 C ATOM 1289 CE1 PHE A 88 26.339 -10.022 9.804 1.00 3.33 C ATOM 1290 CE2 PHE A 88 26.716 -8.704 11.763 1.00 40.41 C ATOM 1291 CZ PHE A 88 27.210 -9.460 10.718 1.00 35.01 C ATOM 0 H PHE A 88 21.558 -9.062 13.478 1.00 54.45 H new ATOM 0 HA PHE A 88 21.791 -10.630 10.975 1.00 32.45 H new ATOM 0 HB2 PHE A 88 22.563 -8.662 10.137 1.00 51.44 H new ATOM 0 HB3 PHE A 88 22.816 -7.962 11.723 1.00 51.44 H new ATOM 0 HD1 PHE A 88 24.302 -10.264 9.218 1.00 52.41 H new ATOM 0 HD2 PHE A 88 24.972 -7.915 12.708 1.00 64.33 H new ATOM 0 HE1 PHE A 88 26.722 -10.616 8.987 1.00 3.33 H new ATOM 0 HE2 PHE A 88 27.394 -8.265 12.480 1.00 40.41 H new ATOM 0 HZ PHE A 88 28.274 -9.612 10.615 1.00 35.01 H new ATOM 1301 N SER A 89 23.799 -11.912 11.804 1.00 74.51 N ATOM 1302 CA SER A 89 24.762 -12.832 12.399 1.00 53.31 C ATOM 1303 C SER A 89 25.984 -12.995 11.500 1.00 13.22 C ATOM 1304 O SER A 89 25.881 -12.926 10.275 1.00 13.43 O ATOM 1305 CB SER A 89 24.112 -14.194 12.648 1.00 73.15 C ATOM 1306 OG SER A 89 23.985 -14.453 14.035 1.00 63.30 O ATOM 0 H SER A 89 23.588 -12.099 10.824 1.00 74.51 H new ATOM 0 HA SER A 89 25.087 -12.413 13.352 1.00 53.31 H new ATOM 0 HB2 SER A 89 23.129 -14.222 12.178 1.00 73.15 H new ATOM 0 HB3 SER A 89 24.711 -14.977 12.182 1.00 73.15 H new ATOM 0 HG SER A 89 24.866 -14.396 14.460 1.00 63.30 H new ATOM 1312 N ARG A 90 27.140 -13.212 12.118 1.00 1.22 N ATOM 1313 CA ARG A 90 28.383 -13.384 11.375 1.00 12.35 C ATOM 1314 C ARG A 90 29.062 -14.698 11.749 1.00 3.24 C ATOM 1315 O ARG A 90 30.078 -14.707 12.445 1.00 43.13 O ATOM 1316 CB ARG A 90 29.329 -12.213 11.646 1.00 44.23 C ATOM 1317 CG ARG A 90 30.372 -12.009 10.559 1.00 62.33 C ATOM 1318 CD ARG A 90 31.553 -11.195 11.065 1.00 54.15 C ATOM 1319 NE ARG A 90 31.973 -10.183 10.099 1.00 11.55 N ATOM 1320 CZ ARG A 90 32.819 -9.200 10.387 1.00 42.12 C ATOM 1321 NH1 ARG A 90 33.333 -9.098 11.605 1.00 62.03 N ATOM 1322 NH2 ARG A 90 33.154 -8.317 9.455 1.00 55.34 N ATOM 0 H ARG A 90 27.242 -13.273 13.131 1.00 1.22 H new ATOM 0 HA ARG A 90 28.142 -13.409 10.312 1.00 12.35 H new ATOM 0 HB2 ARG A 90 28.743 -11.300 11.751 1.00 44.23 H new ATOM 0 HB3 ARG A 90 29.835 -12.378 12.597 1.00 44.23 H new ATOM 0 HG2 ARG A 90 30.722 -12.978 10.203 1.00 62.33 H new ATOM 0 HG3 ARG A 90 29.917 -11.502 9.708 1.00 62.33 H new ATOM 0 HD2 ARG A 90 31.284 -10.711 12.004 1.00 54.15 H new ATOM 0 HD3 ARG A 90 32.388 -11.862 11.278 1.00 54.15 H new ATOM 0 HE ARG A 90 31.596 -10.234 9.152 1.00 11.55 H new ATOM 0 HH11 ARG A 90 33.079 -9.775 12.324 1.00 62.03 H new ATOM 0 HH12 ARG A 90 33.982 -8.342 11.823 1.00 62.03 H new ATOM 0 HH21 ARG A 90 32.762 -8.393 8.516 1.00 55.34 H new ATOM 0 HH22 ARG A 90 33.804 -7.563 9.677 1.00 55.34 H new ATOM 1336 N ASP A 91 28.494 -15.805 11.284 1.00 3.21 N ATOM 1337 CA ASP A 91 29.045 -17.125 11.569 1.00 41.31 C ATOM 1338 C ASP A 91 28.994 -17.424 13.064 1.00 51.21 C ATOM 1339 O ASP A 91 30.002 -17.785 13.670 1.00 73.22 O ATOM 1340 CB ASP A 91 30.487 -17.219 11.066 1.00 14.54 C ATOM 1341 CG ASP A 91 30.707 -16.432 9.789 1.00 73.51 C ATOM 1342 OD1 ASP A 91 30.139 -16.822 8.748 1.00 72.54 O ATOM 1343 OD2 ASP A 91 31.448 -15.428 9.830 1.00 13.22 O ATOM 0 H ASP A 91 27.652 -15.815 10.708 1.00 3.21 H new ATOM 0 HA ASP A 91 28.438 -17.865 11.048 1.00 41.31 H new ATOM 0 HB2 ASP A 91 31.163 -16.850 11.838 1.00 14.54 H new ATOM 0 HB3 ASP A 91 30.741 -18.265 10.893 1.00 14.54 H new ATOM 1348 N GLY A 92 27.812 -17.269 13.653 1.00 30.43 N ATOM 1349 CA GLY A 92 27.652 -17.526 15.073 1.00 53.24 C ATOM 1350 C GLY A 92 27.640 -16.252 15.894 1.00 25.13 C ATOM 1351 O GLY A 92 27.139 -16.234 17.018 1.00 34.13 O ATOM 0 H GLY A 92 26.963 -16.970 13.173 1.00 30.43 H new ATOM 0 HA2 GLY A 92 26.722 -18.070 15.238 1.00 53.24 H new ATOM 0 HA3 GLY A 92 28.463 -18.169 15.417 1.00 53.24 H new ATOM 1355 N VAL A 93 28.197 -15.183 15.334 1.00 52.05 N ATOM 1356 CA VAL A 93 28.250 -13.899 16.022 1.00 55.21 C ATOM 1357 C VAL A 93 26.853 -13.315 16.203 1.00 41.51 C ATOM 1358 O VAL A 93 25.998 -13.438 15.326 1.00 42.13 O ATOM 1359 CB VAL A 93 29.122 -12.887 15.256 1.00 42.20 C ATOM 1360 CG1 VAL A 93 29.160 -11.553 15.987 1.00 73.24 C ATOM 1361 CG2 VAL A 93 30.527 -13.436 15.060 1.00 60.31 C ATOM 0 H VAL A 93 28.618 -15.181 14.405 1.00 52.05 H new ATOM 0 HA VAL A 93 28.694 -14.082 17.000 1.00 55.21 H new ATOM 0 HB VAL A 93 28.679 -12.723 14.273 1.00 42.20 H new ATOM 0 HG11 VAL A 93 29.781 -10.851 15.431 1.00 73.24 H new ATOM 0 HG12 VAL A 93 28.149 -11.155 16.071 1.00 73.24 H new ATOM 0 HG13 VAL A 93 29.578 -11.696 16.984 1.00 73.24 H new ATOM 0 HG21 VAL A 93 31.130 -12.708 14.517 1.00 60.31 H new ATOM 0 HG22 VAL A 93 30.981 -13.630 16.032 1.00 60.31 H new ATOM 0 HG23 VAL A 93 30.479 -14.364 14.490 1.00 60.31 H new ATOM 1371 N VAL A 94 26.628 -12.677 17.347 1.00 1.14 N ATOM 1372 CA VAL A 94 25.335 -12.071 17.644 1.00 63.32 C ATOM 1373 C VAL A 94 25.442 -10.552 17.709 1.00 42.12 C ATOM 1374 O VAL A 94 26.087 -10.003 18.602 1.00 55.32 O ATOM 1375 CB VAL A 94 24.764 -12.592 18.976 1.00 74.23 C ATOM 1376 CG1 VAL A 94 23.462 -11.881 19.313 1.00 72.33 C ATOM 1377 CG2 VAL A 94 24.558 -14.098 18.914 1.00 32.20 C ATOM 0 H VAL A 94 27.325 -12.566 18.084 1.00 1.14 H new ATOM 0 HA VAL A 94 24.661 -12.350 16.834 1.00 63.32 H new ATOM 0 HB VAL A 94 25.482 -12.379 19.768 1.00 74.23 H new ATOM 0 HG11 VAL A 94 23.073 -12.262 20.257 1.00 72.33 H new ATOM 0 HG12 VAL A 94 23.645 -10.810 19.401 1.00 72.33 H new ATOM 0 HG13 VAL A 94 22.734 -12.061 18.522 1.00 72.33 H new ATOM 0 HG21 VAL A 94 24.154 -14.449 19.863 1.00 32.20 H new ATOM 0 HG22 VAL A 94 23.860 -14.337 18.112 1.00 32.20 H new ATOM 0 HG23 VAL A 94 25.512 -14.588 18.722 1.00 32.20 H new ATOM 1387 N MET A 95 24.805 -9.878 16.756 1.00 25.24 N ATOM 1388 CA MET A 95 24.828 -8.421 16.707 1.00 53.13 C ATOM 1389 C MET A 95 23.470 -7.871 16.283 1.00 54.33 C ATOM 1390 O MET A 95 22.684 -8.562 15.635 1.00 70.31 O ATOM 1391 CB MET A 95 25.911 -7.939 15.740 1.00 52.32 C ATOM 1392 CG MET A 95 26.290 -6.479 15.931 1.00 24.33 C ATOM 1393 SD MET A 95 27.111 -6.176 17.508 1.00 34.12 S ATOM 1394 CE MET A 95 28.780 -5.828 16.960 1.00 12.41 C ATOM 0 H MET A 95 24.268 -10.317 16.009 1.00 25.24 H new ATOM 0 HA MET A 95 25.054 -8.052 17.707 1.00 53.13 H new ATOM 0 HB2 MET A 95 26.800 -8.556 15.866 1.00 52.32 H new ATOM 0 HB3 MET A 95 25.564 -8.085 14.717 1.00 52.32 H new ATOM 0 HG2 MET A 95 26.947 -6.169 15.118 1.00 24.33 H new ATOM 0 HG3 MET A 95 25.393 -5.863 15.869 1.00 24.33 H new ATOM 0 HE1 MET A 95 29.411 -5.620 17.824 1.00 12.41 H new ATOM 0 HE2 MET A 95 29.174 -6.691 16.423 1.00 12.41 H new ATOM 0 HE3 MET A 95 28.773 -4.961 16.299 1.00 12.41 H new ATOM 1404 N SER A 96 23.200 -6.623 16.653 1.00 52.22 N ATOM 1405 CA SER A 96 21.935 -5.982 16.314 1.00 13.31 C ATOM 1406 C SER A 96 22.164 -4.765 15.423 1.00 51.22 C ATOM 1407 O SER A 96 23.005 -3.916 15.717 1.00 63.24 O ATOM 1408 CB SER A 96 21.194 -5.564 17.586 1.00 73.22 C ATOM 1409 OG SER A 96 22.090 -5.420 18.674 1.00 52.40 O ATOM 0 H SER A 96 23.840 -6.036 17.187 1.00 52.22 H new ATOM 0 HA SER A 96 21.327 -6.702 15.767 1.00 13.31 H new ATOM 0 HB2 SER A 96 20.672 -4.623 17.414 1.00 73.22 H new ATOM 0 HB3 SER A 96 20.437 -6.309 17.831 1.00 73.22 H new ATOM 0 HG SER A 96 21.592 -5.151 19.474 1.00 52.40 H new ATOM 1415 N ALA A 97 21.409 -4.688 14.332 1.00 54.40 N ATOM 1416 CA ALA A 97 21.527 -3.575 13.398 1.00 11.31 C ATOM 1417 C ALA A 97 20.160 -3.151 12.873 1.00 75.24 C ATOM 1418 O ALA A 97 19.311 -3.991 12.570 1.00 62.21 O ATOM 1419 CB ALA A 97 22.445 -3.949 12.244 1.00 21.42 C ATOM 0 H ALA A 97 20.709 -5.383 14.073 1.00 54.40 H new ATOM 0 HA ALA A 97 21.960 -2.729 13.933 1.00 11.31 H new ATOM 0 HB1 ALA A 97 22.524 -3.108 11.555 1.00 21.42 H new ATOM 0 HB2 ALA A 97 23.434 -4.195 12.631 1.00 21.42 H new ATOM 0 HB3 ALA A 97 22.036 -4.812 11.719 1.00 21.42 H new ATOM 1425 N THR A 98 19.950 -1.843 12.767 1.00 45.42 N ATOM 1426 CA THR A 98 18.685 -1.308 12.280 1.00 44.43 C ATOM 1427 C THR A 98 18.802 -0.855 10.829 1.00 71.34 C ATOM 1428 O THR A 98 19.747 -0.156 10.461 1.00 75.33 O ATOM 1429 CB THR A 98 18.209 -0.121 13.139 1.00 43.12 C ATOM 1430 OG1 THR A 98 18.394 -0.416 14.528 1.00 65.14 O ATOM 1431 CG2 THR A 98 16.744 0.187 12.872 1.00 73.04 C ATOM 0 H THR A 98 20.641 -1.134 13.012 1.00 45.42 H new ATOM 0 HA THR A 98 17.954 -2.113 12.349 1.00 44.43 H new ATOM 0 HB THR A 98 18.802 0.753 12.871 1.00 43.12 H new ATOM 0 HG1 THR A 98 18.091 0.344 15.067 1.00 65.14 H new ATOM 0 HG21 THR A 98 16.431 1.029 13.490 1.00 73.04 H new ATOM 0 HG22 THR A 98 16.611 0.440 11.820 1.00 73.04 H new ATOM 0 HG23 THR A 98 16.139 -0.686 13.114 1.00 73.04 H new ATOM 1439 N ILE A 99 17.836 -1.257 10.009 1.00 24.51 N ATOM 1440 CA ILE A 99 17.831 -0.891 8.598 1.00 32.33 C ATOM 1441 C ILE A 99 16.645 0.009 8.269 1.00 73.43 C ATOM 1442 O ILE A 99 15.495 -0.335 8.545 1.00 42.13 O ATOM 1443 CB ILE A 99 17.783 -2.137 7.694 1.00 51.34 C ATOM 1444 CG1 ILE A 99 16.511 -2.942 7.965 1.00 74.23 C ATOM 1445 CG2 ILE A 99 19.018 -2.998 7.912 1.00 41.32 C ATOM 1446 CD1 ILE A 99 15.472 -2.817 6.872 1.00 20.31 C ATOM 0 H ILE A 99 17.047 -1.836 10.298 1.00 24.51 H new ATOM 0 HA ILE A 99 18.758 -0.350 8.408 1.00 32.33 H new ATOM 0 HB ILE A 99 17.770 -1.812 6.654 1.00 51.34 H new ATOM 0 HG12 ILE A 99 16.775 -3.993 8.086 1.00 74.23 H new ATOM 0 HG13 ILE A 99 16.076 -2.612 8.908 1.00 74.23 H new ATOM 0 HG21 ILE A 99 18.969 -3.875 7.266 1.00 41.32 H new ATOM 0 HG22 ILE A 99 19.911 -2.420 7.673 1.00 41.32 H new ATOM 0 HG23 ILE A 99 19.060 -3.317 8.953 1.00 41.32 H new ATOM 0 HD11 ILE A 99 14.598 -3.414 7.131 1.00 20.31 H new ATOM 0 HD12 ILE A 99 15.180 -1.772 6.766 1.00 20.31 H new ATOM 0 HD13 ILE A 99 15.889 -3.175 5.931 1.00 20.31 H new ATOM 1458 N VAL A 100 16.932 1.163 7.674 1.00 35.45 N ATOM 1459 CA VAL A 100 15.889 2.112 7.304 1.00 75.42 C ATOM 1460 C VAL A 100 15.713 2.172 5.791 1.00 41.04 C ATOM 1461 O VAL A 100 16.597 2.637 5.070 1.00 14.13 O ATOM 1462 CB VAL A 100 16.203 3.525 7.830 1.00 74.31 C ATOM 1463 CG1 VAL A 100 15.898 3.621 9.317 1.00 31.11 C ATOM 1464 CG2 VAL A 100 17.653 3.887 7.550 1.00 24.31 C ATOM 0 H VAL A 100 17.878 1.463 7.438 1.00 35.45 H new ATOM 0 HA VAL A 100 14.964 1.760 7.761 1.00 75.42 H new ATOM 0 HB VAL A 100 15.567 4.239 7.307 1.00 74.31 H new ATOM 0 HG11 VAL A 100 16.126 4.626 9.671 1.00 31.11 H new ATOM 0 HG12 VAL A 100 14.843 3.407 9.487 1.00 31.11 H new ATOM 0 HG13 VAL A 100 16.506 2.898 9.861 1.00 31.11 H new ATOM 0 HG21 VAL A 100 17.858 4.889 7.928 1.00 24.31 H new ATOM 0 HG22 VAL A 100 18.309 3.171 8.045 1.00 24.31 H new ATOM 0 HG23 VAL A 100 17.833 3.861 6.475 1.00 24.31 H new ATOM 1474 N VAL A 101 14.566 1.699 5.314 1.00 70.21 N ATOM 1475 CA VAL A 101 14.273 1.700 3.886 1.00 50.23 C ATOM 1476 C VAL A 101 13.512 2.958 3.482 1.00 34.11 C ATOM 1477 O VAL A 101 12.356 3.144 3.859 1.00 14.44 O ATOM 1478 CB VAL A 101 13.450 0.463 3.480 1.00 20.03 C ATOM 1479 CG1 VAL A 101 14.317 -0.787 3.506 1.00 52.34 C ATOM 1480 CG2 VAL A 101 12.244 0.304 4.393 1.00 34.41 C ATOM 0 H VAL A 101 13.824 1.310 5.896 1.00 70.21 H new ATOM 0 HA VAL A 101 15.231 1.676 3.367 1.00 50.23 H new ATOM 0 HB VAL A 101 13.090 0.605 2.461 1.00 20.03 H new ATOM 0 HG11 VAL A 101 13.719 -1.651 3.216 1.00 52.34 H new ATOM 0 HG12 VAL A 101 15.146 -0.669 2.808 1.00 52.34 H new ATOM 0 HG13 VAL A 101 14.708 -0.938 4.512 1.00 52.34 H new ATOM 0 HG21 VAL A 101 11.673 -0.575 4.092 1.00 34.41 H new ATOM 0 HG22 VAL A 101 12.581 0.183 5.423 1.00 34.41 H new ATOM 0 HG23 VAL A 101 11.613 1.189 4.319 1.00 34.41 H new ATOM 1490 N GLY A 102 14.169 3.819 2.711 1.00 13.32 N ATOM 1491 CA GLY A 102 13.538 5.049 2.268 1.00 1.14 C ATOM 1492 C GLY A 102 12.865 4.902 0.918 1.00 20.12 C ATOM 1493 O GLY A 102 13.450 4.356 -0.017 1.00 55.20 O ATOM 0 H GLY A 102 15.127 3.687 2.385 1.00 13.32 H new ATOM 0 HA2 GLY A 102 12.800 5.361 3.006 1.00 1.14 H new ATOM 0 HA3 GLY A 102 14.287 5.839 2.213 1.00 1.14 H new