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 Single : A 17 SER OG : rot -99:sc= 1.22 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.173 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0563 USER MOD Single : A 22 THR OG1 : rot -140:sc= -0.839 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.00097) USER MOD Single : A 29 THR OG1 : rot -120:sc= -0.881 USER MOD Single : A 30 GLN : amide:sc= -2.08 X(o=-2.1,f=-2.4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -118:sc= 0.21 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.427 X(o=0.43,f=-0.0022) USER MOD Single : A 55 GLN : amide:sc= -2.03! C(o=-2!,f=-6.4!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 71 ASN : amide:sc= -2.7! K(o=-2.7!,f=-1.5) USER MOD Single : A 72 THR OG1 : rot -38:sc= 0.946 USER MOD Single : A 77 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.61) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0044 USER MOD Single : A 89 SER OG : rot -43:sc= 1.16 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 15.048 -10.565 -7.094 1.00 15.44 N ATOM 108 CA LEU A 7 16.221 -10.815 -6.264 1.00 64.04 C ATOM 109 C LEU A 7 17.237 -11.679 -7.005 1.00 32.30 C ATOM 110 O LEU A 7 16.924 -12.787 -7.441 1.00 3.52 O ATOM 111 CB LEU A 7 15.811 -11.496 -4.958 1.00 22.43 C ATOM 112 CG LEU A 7 15.396 -10.566 -3.817 1.00 62.32 C ATOM 113 CD1 LEU A 7 13.991 -10.900 -3.340 1.00 63.52 C ATOM 114 CD2 LEU A 7 16.388 -10.658 -2.667 1.00 10.23 C ATOM 0 HA LEU A 7 16.685 -9.856 -6.035 1.00 64.04 H new ATOM 0 HB2 LEU A 7 14.982 -12.172 -5.169 1.00 22.43 H new ATOM 0 HB3 LEU A 7 16.644 -12.110 -4.615 1.00 22.43 H new ATOM 0 HG LEU A 7 15.397 -9.542 -4.190 1.00 62.32 H new ATOM 0 HD11 LEU A 7 13.713 -10.228 -2.528 1.00 63.52 H new ATOM 0 HD12 LEU A 7 13.289 -10.782 -4.165 1.00 63.52 H new ATOM 0 HD13 LEU A 7 13.963 -11.930 -2.984 1.00 63.52 H new ATOM 0 HD21 LEU A 7 16.077 -9.990 -1.864 1.00 10.23 H new ATOM 0 HD22 LEU A 7 16.420 -11.682 -2.295 1.00 10.23 H new ATOM 0 HD23 LEU A 7 17.379 -10.368 -3.017 1.00 10.23 H new ATOM 126 N GLY A 8 18.456 -11.166 -7.142 1.00 13.22 N ATOM 127 CA GLY A 8 19.499 -11.905 -7.828 1.00 2.20 C ATOM 128 C GLY A 8 20.658 -12.254 -6.915 1.00 60.45 C ATOM 129 O GLY A 8 21.692 -12.741 -7.372 1.00 65.33 O ATOM 0 H GLY A 8 18.739 -10.252 -6.790 1.00 13.22 H new ATOM 0 HA2 GLY A 8 19.078 -12.821 -8.243 1.00 2.20 H new ATOM 0 HA3 GLY A 8 19.867 -11.315 -8.667 1.00 2.20 H new ATOM 133 N PHE A 9 20.487 -12.004 -5.622 1.00 35.34 N ATOM 134 CA PHE A 9 21.528 -12.293 -4.643 1.00 32.45 C ATOM 135 C PHE A 9 21.626 -13.793 -4.380 1.00 30.33 C ATOM 136 O PHE A 9 20.753 -14.563 -4.781 1.00 63.14 O ATOM 137 CB PHE A 9 21.247 -11.552 -3.334 1.00 32.12 C ATOM 138 CG PHE A 9 20.282 -12.270 -2.434 1.00 13.51 C ATOM 139 CD1 PHE A 9 19.096 -12.783 -2.936 1.00 5.52 C ATOM 140 CD2 PHE A 9 20.560 -12.431 -1.086 1.00 71.42 C ATOM 141 CE1 PHE A 9 18.206 -13.442 -2.110 1.00 24.34 C ATOM 142 CE2 PHE A 9 19.674 -13.091 -0.255 1.00 53.32 C ATOM 143 CZ PHE A 9 18.496 -13.598 -0.768 1.00 51.30 C ATOM 0 H PHE A 9 19.637 -11.602 -5.227 1.00 35.34 H new ATOM 0 HA PHE A 9 22.479 -11.950 -5.050 1.00 32.45 H new ATOM 0 HB2 PHE A 9 22.186 -11.403 -2.801 1.00 32.12 H new ATOM 0 HB3 PHE A 9 20.850 -10.563 -3.564 1.00 32.12 H new ATOM 0 HD1 PHE A 9 18.865 -12.666 -3.985 1.00 5.52 H new ATOM 0 HD2 PHE A 9 21.480 -12.036 -0.680 1.00 71.42 H new ATOM 0 HE1 PHE A 9 17.284 -13.835 -2.513 1.00 24.34 H new ATOM 0 HE2 PHE A 9 19.903 -13.210 0.794 1.00 53.32 H new ATOM 0 HZ PHE A 9 17.803 -14.115 -0.121 1.00 51.30 H new ATOM 153 N ARG A 10 22.695 -14.201 -3.703 1.00 51.41 N ATOM 154 CA ARG A 10 22.909 -15.608 -3.388 1.00 10.22 C ATOM 155 C ARG A 10 22.824 -15.847 -1.883 1.00 42.11 C ATOM 156 O ARG A 10 23.058 -14.939 -1.085 1.00 44.14 O ATOM 157 CB ARG A 10 24.270 -16.069 -3.912 1.00 42.43 C ATOM 158 CG ARG A 10 24.205 -16.723 -5.283 1.00 1.13 C ATOM 159 CD ARG A 10 25.508 -17.427 -5.626 1.00 64.21 C ATOM 160 NE ARG A 10 25.494 -17.976 -6.979 1.00 73.24 N ATOM 161 CZ ARG A 10 26.540 -18.568 -7.544 1.00 25.13 C ATOM 162 NH1 ARG A 10 27.679 -18.687 -6.875 1.00 21.31 N ATOM 163 NH2 ARG A 10 26.449 -19.043 -8.779 1.00 44.35 N ATOM 0 H ARG A 10 23.426 -13.577 -3.362 1.00 51.41 H new ATOM 0 HA ARG A 10 22.125 -16.187 -3.876 1.00 10.22 H new ATOM 0 HB2 ARG A 10 24.941 -15.211 -3.959 1.00 42.43 H new ATOM 0 HB3 ARG A 10 24.703 -16.774 -3.203 1.00 42.43 H new ATOM 0 HG2 ARG A 10 23.385 -17.441 -5.306 1.00 1.13 H new ATOM 0 HG3 ARG A 10 23.989 -15.967 -6.038 1.00 1.13 H new ATOM 0 HD2 ARG A 10 26.336 -16.725 -5.528 1.00 64.21 H new ATOM 0 HD3 ARG A 10 25.685 -18.230 -4.911 1.00 64.21 H new ATOM 0 HE ARG A 10 24.633 -17.901 -7.520 1.00 73.24 H new ATOM 0 HH11 ARG A 10 27.753 -18.324 -5.925 1.00 21.31 H new ATOM 0 HH12 ARG A 10 28.481 -19.142 -7.311 1.00 21.31 H new ATOM 0 HH21 ARG A 10 25.575 -18.954 -9.297 1.00 44.35 H new ATOM 0 HH22 ARG A 10 27.253 -19.497 -9.211 1.00 44.35 H new ATOM 177 N VAL A 11 22.487 -17.075 -1.502 1.00 61.03 N ATOM 178 CA VAL A 11 22.372 -17.434 -0.094 1.00 32.11 C ATOM 179 C VAL A 11 22.723 -18.901 0.130 1.00 44.50 C ATOM 180 O VAL A 11 22.297 -19.774 -0.625 1.00 10.21 O ATOM 181 CB VAL A 11 20.950 -17.171 0.438 1.00 62.53 C ATOM 182 CG1 VAL A 11 20.845 -15.765 1.008 1.00 35.41 C ATOM 183 CG2 VAL A 11 19.922 -17.388 -0.662 1.00 61.13 C ATOM 0 H VAL A 11 22.289 -17.838 -2.149 1.00 61.03 H new ATOM 0 HA VAL A 11 23.078 -16.807 0.451 1.00 32.11 H new ATOM 0 HB VAL A 11 20.744 -17.879 1.241 1.00 62.53 H new ATOM 0 HG11 VAL A 11 19.834 -15.597 1.379 1.00 35.41 H new ATOM 0 HG12 VAL A 11 21.555 -15.650 1.827 1.00 35.41 H new ATOM 0 HG13 VAL A 11 21.070 -15.038 0.228 1.00 35.41 H new ATOM 0 HG21 VAL A 11 18.923 -17.198 -0.269 1.00 61.13 H new ATOM 0 HG22 VAL A 11 20.123 -16.705 -1.488 1.00 61.13 H new ATOM 0 HG23 VAL A 11 19.982 -18.416 -1.018 1.00 61.13 H new ATOM 193 N ALA A 12 23.504 -19.164 1.173 1.00 12.40 N ATOM 194 CA ALA A 12 23.911 -20.525 1.498 1.00 0.13 C ATOM 195 C ALA A 12 23.204 -21.024 2.753 1.00 34.44 C ATOM 196 O ALA A 12 23.329 -20.433 3.826 1.00 72.01 O ATOM 197 CB ALA A 12 25.420 -20.596 1.677 1.00 3.33 C ATOM 0 H ALA A 12 23.867 -18.452 1.807 1.00 12.40 H new ATOM 0 HA ALA A 12 23.624 -21.172 0.669 1.00 0.13 H new ATOM 0 HB1 ALA A 12 25.710 -21.618 1.919 1.00 3.33 H new ATOM 0 HB2 ALA A 12 25.911 -20.289 0.753 1.00 3.33 H new ATOM 0 HB3 ALA A 12 25.722 -19.932 2.487 1.00 3.33 H new ATOM 203 N VAL A 13 22.459 -22.117 2.613 1.00 41.44 N ATOM 204 CA VAL A 13 21.732 -22.696 3.735 1.00 34.04 C ATOM 205 C VAL A 13 22.610 -23.666 4.518 1.00 41.32 C ATOM 206 O VAL A 13 23.142 -24.625 3.961 1.00 31.34 O ATOM 207 CB VAL A 13 20.465 -23.435 3.263 1.00 44.33 C ATOM 208 CG1 VAL A 13 20.820 -24.499 2.236 1.00 61.14 C ATOM 209 CG2 VAL A 13 19.733 -24.048 4.447 1.00 43.31 C ATOM 0 H VAL A 13 22.344 -22.619 1.732 1.00 41.44 H new ATOM 0 HA VAL A 13 21.441 -21.869 4.383 1.00 34.04 H new ATOM 0 HB VAL A 13 19.800 -22.713 2.789 1.00 44.33 H new ATOM 0 HG11 VAL A 13 19.913 -25.011 1.914 1.00 61.14 H new ATOM 0 HG12 VAL A 13 21.297 -24.029 1.376 1.00 61.14 H new ATOM 0 HG13 VAL A 13 21.505 -25.220 2.681 1.00 61.14 H new ATOM 0 HG21 VAL A 13 18.841 -24.566 4.095 1.00 43.31 H new ATOM 0 HG22 VAL A 13 20.388 -24.757 4.952 1.00 43.31 H new ATOM 0 HG23 VAL A 13 19.444 -23.261 5.144 1.00 43.31 H new ATOM 219 N GLY A 14 22.758 -23.408 5.814 1.00 72.20 N ATOM 220 CA GLY A 14 23.573 -24.267 6.653 1.00 74.52 C ATOM 221 C GLY A 14 23.565 -23.835 8.106 1.00 61.43 C ATOM 222 O GLY A 14 22.537 -23.401 8.626 1.00 62.32 O ATOM 0 H GLY A 14 22.328 -22.620 6.298 1.00 72.20 H new ATOM 0 HA2 GLY A 14 23.209 -25.292 6.580 1.00 74.52 H new ATOM 0 HA3 GLY A 14 24.598 -24.265 6.282 1.00 74.52 H new ATOM 226 N ARG A 15 24.714 -23.956 8.763 1.00 12.32 N ATOM 227 CA ARG A 15 24.835 -23.577 10.166 1.00 54.11 C ATOM 228 C ARG A 15 26.077 -22.721 10.393 1.00 42.22 C ATOM 229 O ARG A 15 27.112 -22.931 9.759 1.00 12.43 O ATOM 230 CB ARG A 15 24.893 -24.824 11.050 1.00 61.12 C ATOM 231 CG ARG A 15 23.556 -25.532 11.193 1.00 31.31 C ATOM 232 CD ARG A 15 23.054 -25.490 12.628 1.00 1.00 C ATOM 233 NE ARG A 15 22.241 -26.657 12.958 1.00 20.32 N ATOM 234 CZ ARG A 15 22.749 -27.855 13.226 1.00 63.00 C ATOM 235 NH1 ARG A 15 24.062 -28.042 13.203 1.00 33.11 N ATOM 236 NH2 ARG A 15 21.944 -28.869 13.518 1.00 42.40 N ATOM 0 H ARG A 15 25.574 -24.313 8.347 1.00 12.32 H new ATOM 0 HA ARG A 15 23.957 -22.990 10.435 1.00 54.11 H new ATOM 0 HB2 ARG A 15 25.621 -25.521 10.634 1.00 61.12 H new ATOM 0 HB3 ARG A 15 25.252 -24.541 12.039 1.00 61.12 H new ATOM 0 HG2 ARG A 15 22.823 -25.064 10.536 1.00 31.31 H new ATOM 0 HG3 ARG A 15 23.656 -26.569 10.871 1.00 31.31 H new ATOM 0 HD2 ARG A 15 23.904 -25.437 13.308 1.00 1.00 H new ATOM 0 HD3 ARG A 15 22.467 -24.584 12.780 1.00 1.00 H new ATOM 0 HE ARG A 15 21.227 -26.546 12.984 1.00 20.32 H new ATOM 0 HH11 ARG A 15 24.684 -27.265 12.979 1.00 33.11 H new ATOM 0 HH12 ARG A 15 24.450 -28.963 13.409 1.00 33.11 H new ATOM 0 HH21 ARG A 15 20.934 -28.729 13.537 1.00 42.40 H new ATOM 0 HH22 ARG A 15 22.336 -29.788 13.724 1.00 42.40 H new ATOM 250 N ASP A 16 25.967 -21.756 11.299 1.00 20.24 N ATOM 251 CA ASP A 16 27.081 -20.868 11.611 1.00 64.45 C ATOM 252 C ASP A 16 28.014 -21.505 12.636 1.00 35.44 C ATOM 253 O ASP A 16 27.814 -22.649 13.045 1.00 32.15 O ATOM 254 CB ASP A 16 26.563 -19.529 12.137 1.00 72.24 C ATOM 255 CG ASP A 16 25.236 -19.138 11.516 1.00 43.34 C ATOM 256 OD1 ASP A 16 25.062 -19.361 10.300 1.00 60.34 O ATOM 257 OD2 ASP A 16 24.373 -18.607 12.245 1.00 13.14 O ATOM 0 H ASP A 16 25.117 -21.568 11.831 1.00 20.24 H new ATOM 0 HA ASP A 16 27.643 -20.695 10.693 1.00 64.45 H new ATOM 0 HB2 ASP A 16 26.452 -19.586 13.220 1.00 72.24 H new ATOM 0 HB3 ASP A 16 27.300 -18.752 11.933 1.00 72.24 H new ATOM 262 N SER A 17 29.033 -20.758 13.047 1.00 52.40 N ATOM 263 CA SER A 17 29.999 -21.251 14.021 1.00 1.04 C ATOM 264 C SER A 17 29.307 -21.639 15.324 1.00 12.04 C ATOM 265 O SER A 17 29.826 -22.439 16.102 1.00 65.41 O ATOM 266 CB SER A 17 31.067 -20.190 14.294 1.00 20.13 C ATOM 267 OG SER A 17 30.852 -19.560 15.546 1.00 64.45 O ATOM 0 H SER A 17 29.211 -19.808 12.720 1.00 52.40 H new ATOM 0 HA SER A 17 30.476 -22.138 13.605 1.00 1.04 H new ATOM 0 HB2 SER A 17 32.054 -20.651 14.280 1.00 20.13 H new ATOM 0 HB3 SER A 17 31.053 -19.443 13.500 1.00 20.13 H new ATOM 0 HG SER A 17 30.395 -18.704 15.407 1.00 64.45 H new ATOM 273 N SER A 18 28.130 -21.065 15.556 1.00 63.13 N ATOM 274 CA SER A 18 27.367 -21.347 16.766 1.00 42.11 C ATOM 275 C SER A 18 26.341 -22.448 16.517 1.00 71.10 C ATOM 276 O SER A 18 26.519 -23.587 16.947 1.00 40.13 O ATOM 277 CB SER A 18 26.664 -20.080 17.257 1.00 31.33 C ATOM 278 OG SER A 18 25.688 -20.387 18.238 1.00 53.42 O ATOM 0 H SER A 18 27.685 -20.402 14.922 1.00 63.13 H new ATOM 0 HA SER A 18 28.062 -21.689 17.533 1.00 42.11 H new ATOM 0 HB2 SER A 18 27.399 -19.391 17.673 1.00 31.33 H new ATOM 0 HB3 SER A 18 26.192 -19.573 16.416 1.00 31.33 H new ATOM 0 HG SER A 18 25.254 -19.561 18.537 1.00 53.42 H new ATOM 284 N GLY A 19 25.265 -22.099 15.819 1.00 54.53 N ATOM 285 CA GLY A 19 24.225 -23.067 15.524 1.00 32.10 C ATOM 286 C GLY A 19 22.836 -22.464 15.588 1.00 13.04 C ATOM 287 O GLY A 19 22.032 -22.830 16.446 1.00 33.55 O ATOM 0 H GLY A 19 25.095 -21.163 15.452 1.00 54.53 H new ATOM 0 HA2 GLY A 19 24.392 -23.483 14.530 1.00 32.10 H new ATOM 0 HA3 GLY A 19 24.292 -23.894 16.231 1.00 32.10 H new ATOM 291 N CYS A 20 22.553 -21.536 14.681 1.00 73.32 N ATOM 292 CA CYS A 20 21.251 -20.879 14.640 1.00 43.15 C ATOM 293 C CYS A 20 20.492 -21.256 13.372 1.00 53.23 C ATOM 294 O CYS A 20 19.279 -21.061 13.280 1.00 62.23 O ATOM 295 CB CYS A 20 21.421 -19.361 14.715 1.00 51.23 C ATOM 296 SG CYS A 20 21.877 -18.749 16.354 1.00 34.21 S ATOM 0 H CYS A 20 23.207 -21.221 13.964 1.00 73.32 H new ATOM 0 HA CYS A 20 20.674 -21.216 15.501 1.00 43.15 H new ATOM 0 HB2 CYS A 20 22.185 -19.056 14.000 1.00 51.23 H new ATOM 0 HB3 CYS A 20 20.489 -18.886 14.408 1.00 51.23 H new ATOM 0 HG CYS A 20 21.999 -17.455 16.316 1.00 34.21 H new ATOM 302 N THR A 21 21.213 -21.795 12.394 1.00 23.30 N ATOM 303 CA THR A 21 20.609 -22.197 11.130 1.00 13.22 C ATOM 304 C THR A 21 20.075 -20.989 10.368 1.00 34.50 C ATOM 305 O THR A 21 18.884 -20.680 10.429 1.00 2.34 O ATOM 306 CB THR A 21 19.461 -23.200 11.350 1.00 15.22 C ATOM 307 OG1 THR A 21 19.737 -24.018 12.493 1.00 53.34 O ATOM 308 CG2 THR A 21 19.268 -24.080 10.124 1.00 5.05 C ATOM 0 H THR A 21 22.217 -21.963 12.453 1.00 23.30 H new ATOM 0 HA THR A 21 21.392 -22.676 10.543 1.00 13.22 H new ATOM 0 HB THR A 21 18.544 -22.637 11.520 1.00 15.22 H new ATOM 0 HG1 THR A 21 19.002 -24.652 12.627 1.00 53.34 H new ATOM 0 HG21 THR A 21 18.452 -24.780 10.303 1.00 5.05 H new ATOM 0 HG22 THR A 21 19.028 -23.456 9.263 1.00 5.05 H new ATOM 0 HG23 THR A 21 20.185 -24.635 9.926 1.00 5.05 H new ATOM 316 N THR A 22 20.962 -20.310 9.648 1.00 10.33 N ATOM 317 CA THR A 22 20.580 -19.136 8.874 1.00 13.41 C ATOM 318 C THR A 22 21.329 -19.084 7.548 1.00 42.33 C ATOM 319 O THR A 22 22.381 -19.705 7.392 1.00 22.45 O ATOM 320 CB THR A 22 20.850 -17.836 9.655 1.00 41.52 C ATOM 321 OG1 THR A 22 20.770 -16.709 8.774 1.00 63.52 O ATOM 322 CG2 THR A 22 22.221 -17.875 10.313 1.00 10.30 C ATOM 0 H THR A 22 21.951 -20.553 9.585 1.00 10.33 H new ATOM 0 HA THR A 22 19.511 -19.219 8.681 1.00 13.41 H new ATOM 0 HB THR A 22 20.093 -17.742 10.434 1.00 41.52 H new ATOM 0 HG1 THR A 22 21.477 -16.068 8.997 1.00 63.52 H new ATOM 0 HG21 THR A 22 22.389 -16.947 10.859 1.00 10.30 H new ATOM 0 HG22 THR A 22 22.269 -18.716 11.005 1.00 10.30 H new ATOM 0 HG23 THR A 22 22.989 -17.990 9.548 1.00 10.30 H new ATOM 330 N LEU A 23 20.782 -18.339 6.594 1.00 44.55 N ATOM 331 CA LEU A 23 21.400 -18.205 5.279 1.00 44.41 C ATOM 332 C LEU A 23 22.287 -16.965 5.218 1.00 54.35 C ATOM 333 O LEU A 23 21.859 -15.866 5.570 1.00 54.53 O ATOM 334 CB LEU A 23 20.325 -18.131 4.193 1.00 23.33 C ATOM 335 CG LEU A 23 19.769 -19.470 3.708 1.00 32.42 C ATOM 336 CD1 LEU A 23 19.149 -20.241 4.864 1.00 54.35 C ATOM 337 CD2 LEU A 23 18.748 -19.254 2.600 1.00 2.13 C ATOM 0 H LEU A 23 19.912 -17.818 6.706 1.00 44.55 H new ATOM 0 HA LEU A 23 22.022 -19.083 5.106 1.00 44.41 H new ATOM 0 HB2 LEU A 23 19.497 -17.531 4.570 1.00 23.33 H new ATOM 0 HB3 LEU A 23 20.739 -17.600 3.336 1.00 23.33 H new ATOM 0 HG LEU A 23 20.593 -20.059 3.306 1.00 32.42 H new ATOM 0 HD11 LEU A 23 18.759 -21.191 4.500 1.00 54.35 H new ATOM 0 HD12 LEU A 23 19.907 -20.428 5.625 1.00 54.35 H new ATOM 0 HD13 LEU A 23 18.337 -19.657 5.297 1.00 54.35 H new ATOM 0 HD21 LEU A 23 18.363 -20.218 2.267 1.00 2.13 H new ATOM 0 HD22 LEU A 23 17.926 -18.645 2.976 1.00 2.13 H new ATOM 0 HD23 LEU A 23 19.223 -18.744 1.762 1.00 2.13 H new ATOM 349 N SER A 24 23.523 -17.149 4.766 1.00 61.00 N ATOM 350 CA SER A 24 24.471 -16.046 4.660 1.00 55.34 C ATOM 351 C SER A 24 24.291 -15.301 3.340 1.00 65.20 C ATOM 352 O SER A 24 24.132 -15.916 2.285 1.00 52.20 O ATOM 353 CB SER A 24 25.905 -16.564 4.775 1.00 21.50 C ATOM 354 OG SER A 24 26.818 -15.684 4.142 1.00 21.54 O ATOM 0 H SER A 24 23.892 -18.052 4.467 1.00 61.00 H new ATOM 0 HA SER A 24 24.277 -15.353 5.479 1.00 55.34 H new ATOM 0 HB2 SER A 24 26.172 -16.675 5.826 1.00 21.50 H new ATOM 0 HB3 SER A 24 25.975 -17.553 4.322 1.00 21.50 H new ATOM 0 HG SER A 24 27.728 -16.037 4.231 1.00 21.54 H new ATOM 360 N ILE A 25 24.319 -13.975 3.408 1.00 43.50 N ATOM 361 CA ILE A 25 24.161 -13.146 2.219 1.00 3.34 C ATOM 362 C ILE A 25 25.512 -12.828 1.587 1.00 2.24 C ATOM 363 O ILE A 25 26.312 -12.083 2.153 1.00 64.32 O ATOM 364 CB ILE A 25 23.436 -11.827 2.545 1.00 4.43 C ATOM 365 CG1 ILE A 25 22.271 -12.083 3.502 1.00 15.14 C ATOM 366 CG2 ILE A 25 22.944 -11.163 1.268 1.00 70.23 C ATOM 367 CD1 ILE A 25 21.276 -13.099 2.985 1.00 25.04 C ATOM 0 H ILE A 25 24.450 -13.451 4.273 1.00 43.50 H new ATOM 0 HA ILE A 25 23.558 -13.718 1.513 1.00 3.34 H new ATOM 0 HB ILE A 25 24.141 -11.153 3.033 1.00 4.43 H new ATOM 0 HG12 ILE A 25 22.666 -12.427 4.458 1.00 15.14 H new ATOM 0 HG13 ILE A 25 21.753 -11.143 3.691 1.00 15.14 H new ATOM 0 HG21 ILE A 25 22.434 -10.232 1.515 1.00 70.23 H new ATOM 0 HG22 ILE A 25 23.793 -10.950 0.618 1.00 70.23 H new ATOM 0 HG23 ILE A 25 22.252 -11.830 0.754 1.00 70.23 H new ATOM 0 HD11 ILE A 25 20.477 -13.230 3.715 1.00 25.04 H new ATOM 0 HD12 ILE A 25 20.853 -12.748 2.044 1.00 25.04 H new ATOM 0 HD13 ILE A 25 21.780 -14.052 2.823 1.00 25.04 H new ATOM 379 N GLN A 26 25.757 -13.396 0.411 1.00 4.01 N ATOM 380 CA GLN A 26 27.011 -13.172 -0.298 1.00 44.33 C ATOM 381 C GLN A 26 26.852 -12.084 -1.356 1.00 34.42 C ATOM 382 O GLN A 26 27.741 -11.871 -2.179 1.00 3.15 O ATOM 383 CB GLN A 26 27.491 -14.469 -0.952 1.00 10.10 C ATOM 384 CG GLN A 26 27.996 -15.501 0.043 1.00 31.12 C ATOM 385 CD GLN A 26 27.832 -16.923 -0.457 1.00 5.20 C ATOM 386 OE1 GLN A 26 28.808 -17.661 -0.594 1.00 64.01 O ATOM 387 NE2 GLN A 26 26.594 -17.315 -0.733 1.00 1.03 N ATOM 0 H GLN A 26 25.104 -14.014 -0.071 1.00 4.01 H new ATOM 0 HA GLN A 26 27.755 -12.842 0.427 1.00 44.33 H new ATOM 0 HB2 GLN A 26 26.672 -14.901 -1.527 1.00 10.10 H new ATOM 0 HB3 GLN A 26 28.288 -14.237 -1.658 1.00 10.10 H new ATOM 0 HG2 GLN A 26 29.049 -15.313 0.253 1.00 31.12 H new ATOM 0 HG3 GLN A 26 27.458 -15.386 0.984 1.00 31.12 H new ATOM 0 HE21 GLN A 26 25.814 -16.670 -0.605 1.00 1.03 H new ATOM 0 HE22 GLN A 26 26.423 -18.261 -1.073 1.00 1.03 H new ATOM 396 N GLU A 27 25.712 -11.401 -1.327 1.00 52.23 N ATOM 397 CA GLU A 27 25.436 -10.336 -2.285 1.00 21.31 C ATOM 398 C GLU A 27 24.668 -9.195 -1.624 1.00 21.30 C ATOM 399 O GLU A 27 24.378 -9.238 -0.428 1.00 50.13 O ATOM 400 CB GLU A 27 24.639 -10.882 -3.472 1.00 3.31 C ATOM 401 CG GLU A 27 25.350 -10.725 -4.806 1.00 1.03 C ATOM 402 CD GLU A 27 25.648 -12.056 -5.468 1.00 22.21 C ATOM 403 OE1 GLU A 27 26.597 -12.738 -5.027 1.00 22.01 O ATOM 404 OE2 GLU A 27 24.933 -12.416 -6.426 1.00 45.14 O ATOM 0 H GLU A 27 24.965 -11.566 -0.652 1.00 52.23 H new ATOM 0 HA GLU A 27 26.390 -9.949 -2.644 1.00 21.31 H new ATOM 0 HB2 GLU A 27 24.430 -11.938 -3.303 1.00 3.31 H new ATOM 0 HB3 GLU A 27 23.678 -10.370 -3.520 1.00 3.31 H new ATOM 0 HG2 GLU A 27 24.734 -10.122 -5.473 1.00 1.03 H new ATOM 0 HG3 GLU A 27 26.283 -10.182 -4.655 1.00 1.03 H new ATOM 411 N VAL A 28 24.342 -8.175 -2.411 1.00 42.03 N ATOM 412 CA VAL A 28 23.608 -7.022 -1.904 1.00 32.20 C ATOM 413 C VAL A 28 22.346 -6.771 -2.722 1.00 60.00 C ATOM 414 O VAL A 28 22.309 -5.878 -3.569 1.00 15.42 O ATOM 415 CB VAL A 28 24.478 -5.751 -1.919 1.00 72.34 C ATOM 416 CG1 VAL A 28 25.471 -5.770 -0.768 1.00 24.11 C ATOM 417 CG2 VAL A 28 25.197 -5.615 -3.253 1.00 0.41 C ATOM 0 H VAL A 28 24.575 -8.124 -3.403 1.00 42.03 H new ATOM 0 HA VAL A 28 23.331 -7.251 -0.875 1.00 32.20 H new ATOM 0 HB VAL A 28 23.829 -4.885 -1.792 1.00 72.34 H new ATOM 0 HG11 VAL A 28 26.077 -4.864 -0.795 1.00 24.11 H new ATOM 0 HG12 VAL A 28 24.931 -5.817 0.178 1.00 24.11 H new ATOM 0 HG13 VAL A 28 26.118 -6.642 -0.860 1.00 24.11 H new ATOM 0 HG21 VAL A 28 25.807 -4.712 -3.247 1.00 0.41 H new ATOM 0 HG22 VAL A 28 25.836 -6.484 -3.412 1.00 0.41 H new ATOM 0 HG23 VAL A 28 24.464 -5.552 -4.057 1.00 0.41 H new ATOM 427 N THR A 29 21.312 -7.565 -2.464 1.00 33.45 N ATOM 428 CA THR A 29 20.047 -7.430 -3.176 1.00 25.32 C ATOM 429 C THR A 29 19.477 -6.025 -3.021 1.00 73.32 C ATOM 430 O THR A 29 18.675 -5.578 -3.841 1.00 21.20 O ATOM 431 CB THR A 29 19.009 -8.452 -2.676 1.00 11.03 C ATOM 432 OG1 THR A 29 17.718 -8.141 -3.212 1.00 61.01 O ATOM 433 CG2 THR A 29 18.944 -8.458 -1.156 1.00 1.01 C ATOM 0 H THR A 29 21.326 -8.309 -1.767 1.00 33.45 H new ATOM 0 HA THR A 29 20.254 -7.621 -4.229 1.00 25.32 H new ATOM 0 HB THR A 29 19.314 -9.442 -3.015 1.00 11.03 H new ATOM 0 HG1 THR A 29 17.092 -7.970 -2.478 1.00 61.01 H new ATOM 0 HG21 THR A 29 18.204 -9.187 -0.826 1.00 1.01 H new ATOM 0 HG22 THR A 29 19.921 -8.723 -0.751 1.00 1.01 H new ATOM 0 HG23 THR A 29 18.661 -7.468 -0.800 1.00 1.01 H new ATOM 441 N GLN A 30 19.895 -5.334 -1.966 1.00 24.31 N ATOM 442 CA GLN A 30 19.425 -3.979 -1.705 1.00 73.11 C ATOM 443 C GLN A 30 19.940 -3.010 -2.764 1.00 65.30 C ATOM 444 O GLN A 30 20.988 -2.385 -2.593 1.00 32.54 O ATOM 445 CB GLN A 30 19.871 -3.520 -0.316 1.00 4.00 C ATOM 446 CG GLN A 30 19.241 -4.312 0.818 1.00 25.14 C ATOM 447 CD GLN A 30 18.210 -3.511 1.587 1.00 15.41 C ATOM 448 OE1 GLN A 30 17.154 -3.165 1.056 1.00 13.11 O ATOM 449 NE2 GLN A 30 18.510 -3.211 2.845 1.00 12.53 N ATOM 0 H GLN A 30 20.558 -5.690 -1.278 1.00 24.31 H new ATOM 0 HA GLN A 30 18.336 -3.986 -1.745 1.00 73.11 H new ATOM 0 HB2 GLN A 30 20.956 -3.602 -0.246 1.00 4.00 H new ATOM 0 HB3 GLN A 30 19.622 -2.466 -0.194 1.00 4.00 H new ATOM 0 HG2 GLN A 30 18.771 -5.208 0.413 1.00 25.14 H new ATOM 0 HG3 GLN A 30 20.022 -4.643 1.502 1.00 25.14 H new ATOM 0 HE21 GLN A 30 19.397 -3.518 3.245 1.00 12.53 H new ATOM 0 HE22 GLN A 30 17.854 -2.674 3.412 1.00 12.53 H new ATOM 458 N THR A 31 19.199 -2.890 -3.861 1.00 15.13 N ATOM 459 CA THR A 31 19.581 -1.999 -4.948 1.00 43.34 C ATOM 460 C THR A 31 18.541 -2.012 -6.062 1.00 70.45 C ATOM 461 O THR A 31 18.871 -1.836 -7.236 1.00 20.35 O ATOM 462 CB THR A 31 20.951 -2.386 -5.536 1.00 45.12 C ATOM 463 OG1 THR A 31 21.314 -3.703 -5.107 1.00 2.12 O ATOM 464 CG2 THR A 31 22.023 -1.395 -5.109 1.00 3.50 C ATOM 0 H THR A 31 18.330 -3.400 -4.020 1.00 15.13 H new ATOM 0 HA THR A 31 19.645 -0.996 -4.526 1.00 43.34 H new ATOM 0 HB THR A 31 20.873 -2.367 -6.623 1.00 45.12 H new ATOM 0 HG1 THR A 31 22.185 -3.942 -5.486 1.00 2.12 H new ATOM 0 HG21 THR A 31 22.982 -1.689 -5.536 1.00 3.50 H new ATOM 0 HG22 THR A 31 21.759 -0.398 -5.462 1.00 3.50 H new ATOM 0 HG23 THR A 31 22.098 -1.386 -4.022 1.00 3.50 H new ATOM 472 N TYR A 32 17.284 -2.222 -5.689 1.00 13.13 N ATOM 473 CA TYR A 32 16.195 -2.260 -6.657 1.00 74.24 C ATOM 474 C TYR A 32 14.857 -1.963 -5.986 1.00 23.54 C ATOM 475 O TYR A 32 14.676 -2.220 -4.795 1.00 33.11 O ATOM 476 CB TYR A 32 16.142 -3.627 -7.343 1.00 14.42 C ATOM 477 CG TYR A 32 16.785 -3.643 -8.711 1.00 22.11 C ATOM 478 CD1 TYR A 32 16.167 -3.039 -9.799 1.00 30.23 C ATOM 479 CD2 TYR A 32 18.012 -4.262 -8.915 1.00 64.03 C ATOM 480 CE1 TYR A 32 16.751 -3.053 -11.050 1.00 41.35 C ATOM 481 CE2 TYR A 32 18.605 -4.279 -10.163 1.00 73.13 C ATOM 482 CZ TYR A 32 17.970 -3.674 -11.228 1.00 10.43 C ATOM 483 OH TYR A 32 18.556 -3.688 -12.473 1.00 12.13 O ATOM 0 H TYR A 32 16.994 -2.369 -4.722 1.00 13.13 H new ATOM 0 HA TYR A 32 16.383 -1.491 -7.406 1.00 74.24 H new ATOM 0 HB2 TYR A 32 16.638 -4.362 -6.709 1.00 14.42 H new ATOM 0 HB3 TYR A 32 15.101 -3.937 -7.436 1.00 14.42 H new ATOM 0 HD1 TYR A 32 15.213 -2.550 -9.664 1.00 30.23 H new ATOM 0 HD2 TYR A 32 18.511 -4.738 -8.084 1.00 64.03 H new ATOM 0 HE1 TYR A 32 16.256 -2.580 -11.885 1.00 41.35 H new ATOM 0 HE2 TYR A 32 19.560 -4.763 -10.304 1.00 73.13 H new ATOM 0 HH TYR A 32 19.411 -4.164 -12.427 1.00 12.13 H new ATOM 493 N THR A 33 13.922 -1.421 -6.759 1.00 14.23 N ATOM 494 CA THR A 33 12.601 -1.088 -6.241 1.00 13.13 C ATOM 495 C THR A 33 11.686 -0.582 -7.350 1.00 44.34 C ATOM 496 O THR A 33 12.038 -0.632 -8.528 1.00 55.44 O ATOM 497 CB THR A 33 12.684 -0.021 -5.133 1.00 42.31 C ATOM 498 OG1 THR A 33 11.449 0.034 -4.412 1.00 14.25 O ATOM 499 CG2 THR A 33 12.995 1.347 -5.722 1.00 13.21 C ATOM 0 H THR A 33 14.055 -1.203 -7.747 1.00 14.23 H new ATOM 0 HA THR A 33 12.186 -2.005 -5.822 1.00 13.13 H new ATOM 0 HB THR A 33 13.489 -0.298 -4.452 1.00 42.31 H new ATOM 0 HG1 THR A 33 11.050 0.923 -4.514 1.00 14.25 H new ATOM 0 HG21 THR A 33 13.049 2.084 -4.921 1.00 13.21 H new ATOM 0 HG22 THR A 33 13.951 1.309 -6.245 1.00 13.21 H new ATOM 0 HG23 THR A 33 12.209 1.629 -6.422 1.00 13.21 H new ATOM 507 N GLY A 34 10.511 -0.093 -6.966 1.00 71.31 N ATOM 508 CA GLY A 34 9.564 0.416 -7.941 1.00 65.23 C ATOM 509 C GLY A 34 8.127 0.107 -7.570 1.00 45.45 C ATOM 510 O GLY A 34 7.555 -0.875 -8.042 1.00 55.54 O ATOM 0 H GLY A 34 10.198 -0.040 -5.997 1.00 71.31 H new ATOM 0 HA2 GLY A 34 9.688 1.495 -8.034 1.00 65.23 H new ATOM 0 HA3 GLY A 34 9.785 -0.016 -8.917 1.00 65.23 H new ATOM 514 N SER A 35 7.544 0.947 -6.721 1.00 52.14 N ATOM 515 CA SER A 35 6.166 0.756 -6.283 1.00 2.12 C ATOM 516 C SER A 35 5.658 1.986 -5.537 1.00 1.03 C ATOM 517 O SER A 35 4.781 2.700 -6.020 1.00 51.22 O ATOM 518 CB SER A 35 6.061 -0.478 -5.385 1.00 70.54 C ATOM 519 OG SER A 35 4.795 -0.542 -4.752 1.00 73.44 O ATOM 0 H SER A 35 8.004 1.766 -6.323 1.00 52.14 H new ATOM 0 HA SER A 35 5.547 0.607 -7.167 1.00 2.12 H new ATOM 0 HB2 SER A 35 6.220 -1.378 -5.979 1.00 70.54 H new ATOM 0 HB3 SER A 35 6.847 -0.451 -4.631 1.00 70.54 H new ATOM 0 HG SER A 35 4.753 -1.340 -4.185 1.00 73.44 H new ATOM 525 N ASN A 36 6.217 2.226 -4.355 1.00 11.11 N ATOM 526 CA ASN A 36 5.821 3.369 -3.540 1.00 52.02 C ATOM 527 C ASN A 36 6.923 4.424 -3.511 1.00 33.13 C ATOM 528 O ASN A 36 6.996 5.234 -2.588 1.00 3.12 O ATOM 529 CB ASN A 36 5.493 2.917 -2.116 1.00 4.35 C ATOM 530 CG ASN A 36 4.344 3.700 -1.511 1.00 1.24 C ATOM 531 OD1 ASN A 36 3.435 3.126 -0.912 1.00 15.03 O ATOM 532 ND2 ASN A 36 4.380 5.019 -1.665 1.00 63.41 N ATOM 0 H ASN A 36 6.945 1.644 -3.940 1.00 11.11 H new ATOM 0 HA ASN A 36 4.931 3.812 -3.987 1.00 52.02 H new ATOM 0 HB2 ASN A 36 5.242 1.856 -2.123 1.00 4.35 H new ATOM 0 HB3 ASN A 36 6.377 3.031 -1.489 1.00 4.35 H new ATOM 0 HD21 ASN A 36 3.634 5.598 -1.279 1.00 63.41 H new ATOM 0 HD22 ASN A 36 5.153 5.453 -2.169 1.00 63.41 H new ATOM 539 N GLY A 37 7.778 4.407 -4.529 1.00 11.53 N ATOM 540 CA GLY A 37 8.864 5.367 -4.601 1.00 1.24 C ATOM 541 C GLY A 37 9.653 5.254 -5.890 1.00 51.51 C ATOM 542 O GLY A 37 9.786 6.227 -6.631 1.00 42.15 O ATOM 0 H GLY A 37 7.738 3.746 -5.305 1.00 11.53 H new ATOM 0 HA2 GLY A 37 8.460 6.375 -4.513 1.00 1.24 H new ATOM 0 HA3 GLY A 37 9.534 5.217 -3.754 1.00 1.24 H new ATOM 546 N GLY A 38 10.179 4.063 -6.158 1.00 4.20 N ATOM 547 CA GLY A 38 10.954 3.849 -7.366 1.00 44.42 C ATOM 548 C GLY A 38 12.278 4.588 -7.345 1.00 13.55 C ATOM 549 O GLY A 38 12.335 5.762 -6.977 1.00 61.51 O ATOM 0 H GLY A 38 10.082 3.242 -5.560 1.00 4.20 H new ATOM 0 HA2 GLY A 38 11.139 2.782 -7.491 1.00 44.42 H new ATOM 0 HA3 GLY A 38 10.373 4.175 -8.229 1.00 44.42 H new ATOM 611 N GLY A 43 20.840 2.241 -1.940 1.00 51.55 N ATOM 612 CA GLY A 43 20.202 3.069 -0.933 1.00 24.31 C ATOM 613 C GLY A 43 20.093 2.369 0.407 1.00 2.14 C ATOM 614 O GLY A 43 20.829 2.667 1.349 1.00 74.11 O ATOM 0 HA2 GLY A 43 20.769 3.992 -0.813 1.00 24.31 H new ATOM 0 HA3 GLY A 43 19.206 3.350 -1.275 1.00 24.31 H new ATOM 618 N PRO A 44 19.155 1.416 0.507 1.00 60.20 N ATOM 619 CA PRO A 44 18.929 0.653 1.738 1.00 0.03 C ATOM 620 C PRO A 44 20.075 -0.305 2.045 1.00 32.21 C ATOM 621 O PRO A 44 20.119 -0.913 3.114 1.00 35.22 O ATOM 622 CB PRO A 44 17.645 -0.126 1.442 1.00 21.13 C ATOM 623 CG PRO A 44 17.609 -0.246 -0.042 1.00 73.41 C ATOM 624 CD PRO A 44 18.243 1.009 -0.575 1.00 31.40 C ATOM 0 HA PRO A 44 18.859 1.301 2.612 1.00 0.03 H new ATOM 0 HB2 PRO A 44 17.658 -1.106 1.918 1.00 21.13 H new ATOM 0 HB3 PRO A 44 16.767 0.400 1.818 1.00 21.13 H new ATOM 0 HG2 PRO A 44 18.153 -1.130 -0.375 1.00 73.41 H new ATOM 0 HG3 PRO A 44 16.585 -0.348 -0.400 1.00 73.41 H new ATOM 0 HD2 PRO A 44 18.780 0.824 -1.505 1.00 31.40 H new ATOM 0 HD3 PRO A 44 17.499 1.778 -0.784 1.00 31.40 H new ATOM 632 N ALA A 45 21.001 -0.435 1.101 1.00 51.42 N ATOM 633 CA ALA A 45 22.148 -1.317 1.272 1.00 63.11 C ATOM 634 C ALA A 45 23.231 -0.653 2.116 1.00 51.45 C ATOM 635 O ALA A 45 23.595 -1.151 3.181 1.00 12.30 O ATOM 636 CB ALA A 45 22.708 -1.724 -0.083 1.00 51.12 C ATOM 0 H ALA A 45 20.979 0.060 0.209 1.00 51.42 H new ATOM 0 HA ALA A 45 21.812 -2.211 1.797 1.00 63.11 H new ATOM 0 HB1 ALA A 45 23.564 -2.383 0.060 1.00 51.12 H new ATOM 0 HB2 ALA A 45 21.939 -2.247 -0.652 1.00 51.12 H new ATOM 0 HB3 ALA A 45 23.022 -0.834 -0.629 1.00 51.12 H new ATOM 642 N PHE A 46 23.743 0.474 1.632 1.00 11.41 N ATOM 643 CA PHE A 46 24.786 1.206 2.341 1.00 12.44 C ATOM 644 C PHE A 46 24.234 1.842 3.615 1.00 65.44 C ATOM 645 O PHE A 46 24.981 2.135 4.548 1.00 32.51 O ATOM 646 CB PHE A 46 25.385 2.286 1.438 1.00 63.12 C ATOM 647 CG PHE A 46 26.669 2.863 1.963 1.00 32.52 C ATOM 648 CD1 PHE A 46 27.732 2.037 2.290 1.00 63.32 C ATOM 649 CD2 PHE A 46 26.812 4.230 2.131 1.00 14.51 C ATOM 650 CE1 PHE A 46 28.915 2.564 2.773 1.00 10.12 C ATOM 651 CE2 PHE A 46 27.992 4.764 2.614 1.00 71.44 C ATOM 652 CZ PHE A 46 29.044 3.929 2.936 1.00 4.33 C ATOM 0 H PHE A 46 23.453 0.900 0.752 1.00 11.41 H new ATOM 0 HA PHE A 46 25.568 0.498 2.617 1.00 12.44 H new ATOM 0 HB2 PHE A 46 25.563 1.863 0.449 1.00 63.12 H new ATOM 0 HB3 PHE A 46 24.659 3.089 1.315 1.00 63.12 H new ATOM 0 HD1 PHE A 46 27.635 0.969 2.166 1.00 63.32 H new ATOM 0 HD2 PHE A 46 25.992 4.887 1.882 1.00 14.51 H new ATOM 0 HE1 PHE A 46 29.737 1.909 3.022 1.00 10.12 H new ATOM 0 HE2 PHE A 46 28.091 5.832 2.739 1.00 71.44 H new ATOM 0 HZ PHE A 46 29.967 4.343 3.315 1.00 4.33 H new ATOM 662 N ALA A 47 22.923 2.052 3.644 1.00 74.24 N ATOM 663 CA ALA A 47 22.270 2.651 4.802 1.00 63.55 C ATOM 664 C ALA A 47 22.186 1.660 5.958 1.00 70.45 C ATOM 665 O ALA A 47 22.400 2.021 7.114 1.00 1.11 O ATOM 666 CB ALA A 47 20.882 3.147 4.427 1.00 73.10 C ATOM 0 H ALA A 47 22.291 1.816 2.879 1.00 74.24 H new ATOM 0 HA ALA A 47 22.871 3.500 5.129 1.00 63.55 H new ATOM 0 HB1 ALA A 47 20.406 3.592 5.301 1.00 73.10 H new ATOM 0 HB2 ALA A 47 20.964 3.895 3.638 1.00 73.10 H new ATOM 0 HB3 ALA A 47 20.280 2.310 4.073 1.00 73.10 H new ATOM 672 N ALA A 48 21.872 0.409 5.637 1.00 60.32 N ATOM 673 CA ALA A 48 21.761 -0.634 6.649 1.00 72.42 C ATOM 674 C ALA A 48 23.086 -1.366 6.831 1.00 62.20 C ATOM 675 O ALA A 48 23.272 -2.103 7.799 1.00 40.52 O ATOM 676 CB ALA A 48 20.660 -1.617 6.276 1.00 44.35 C ATOM 0 H ALA A 48 21.690 0.094 4.684 1.00 60.32 H new ATOM 0 HA ALA A 48 21.504 -0.160 7.596 1.00 72.42 H new ATOM 0 HB1 ALA A 48 20.588 -2.390 7.041 1.00 44.35 H new ATOM 0 HB2 ALA A 48 19.709 -1.089 6.204 1.00 44.35 H new ATOM 0 HB3 ALA A 48 20.893 -2.077 5.316 1.00 44.35 H new ATOM 682 N GLY A 49 24.005 -1.159 5.893 1.00 45.31 N ATOM 683 CA GLY A 49 25.302 -1.807 5.969 1.00 52.35 C ATOM 684 C GLY A 49 25.303 -3.177 5.321 1.00 25.44 C ATOM 685 O GLY A 49 26.220 -3.972 5.536 1.00 73.43 O ATOM 0 H GLY A 49 23.875 -0.554 5.082 1.00 45.31 H new ATOM 0 HA2 GLY A 49 26.048 -1.178 5.483 1.00 52.35 H new ATOM 0 HA3 GLY A 49 25.597 -1.902 7.014 1.00 52.35 H new ATOM 689 N LEU A 50 24.275 -3.457 4.529 1.00 53.22 N ATOM 690 CA LEU A 50 24.160 -4.742 3.849 1.00 34.51 C ATOM 691 C LEU A 50 25.342 -4.971 2.912 1.00 15.13 C ATOM 692 O LEU A 50 25.488 -4.283 1.902 1.00 13.51 O ATOM 693 CB LEU A 50 22.850 -4.810 3.062 1.00 72.01 C ATOM 694 CG LEU A 50 21.648 -5.390 3.808 1.00 74.02 C ATOM 695 CD1 LEU A 50 21.940 -6.809 4.270 1.00 1.01 C ATOM 696 CD2 LEU A 50 21.277 -4.507 4.991 1.00 64.32 C ATOM 0 H LEU A 50 23.508 -2.811 4.341 1.00 53.22 H new ATOM 0 HA LEU A 50 24.163 -5.526 4.606 1.00 34.51 H new ATOM 0 HB2 LEU A 50 22.596 -3.803 2.731 1.00 72.01 H new ATOM 0 HB3 LEU A 50 23.019 -5.407 2.166 1.00 72.01 H new ATOM 0 HG LEU A 50 20.800 -5.420 3.123 1.00 74.02 H new ATOM 0 HD11 LEU A 50 21.073 -7.205 4.799 1.00 1.01 H new ATOM 0 HD12 LEU A 50 22.155 -7.436 3.405 1.00 1.01 H new ATOM 0 HD13 LEU A 50 22.801 -6.804 4.938 1.00 1.01 H new ATOM 0 HD21 LEU A 50 20.420 -4.935 5.510 1.00 64.32 H new ATOM 0 HD22 LEU A 50 22.122 -4.444 5.677 1.00 64.32 H new ATOM 0 HD23 LEU A 50 21.024 -3.509 4.634 1.00 64.32 H new ATOM 708 N ARG A 51 26.181 -5.943 3.253 1.00 1.05 N ATOM 709 CA ARG A 51 27.350 -6.263 2.442 1.00 14.14 C ATOM 710 C ARG A 51 27.594 -7.769 2.412 1.00 45.30 C ATOM 711 O ARG A 51 27.120 -8.503 3.278 1.00 32.25 O ATOM 712 CB ARG A 51 28.586 -5.545 2.986 1.00 23.21 C ATOM 713 CG ARG A 51 28.842 -4.195 2.336 1.00 31.23 C ATOM 714 CD ARG A 51 29.452 -4.350 0.952 1.00 51.20 C ATOM 715 NE ARG A 51 29.739 -3.059 0.333 1.00 3.52 N ATOM 716 CZ ARG A 51 30.535 -2.909 -0.720 1.00 71.21 C ATOM 717 NH1 ARG A 51 31.119 -3.965 -1.269 1.00 74.42 N ATOM 718 NH2 ARG A 51 30.747 -1.701 -1.227 1.00 24.35 N ATOM 0 H ARG A 51 26.073 -6.523 4.085 1.00 1.05 H new ATOM 0 HA ARG A 51 27.160 -5.923 1.424 1.00 14.14 H new ATOM 0 HB2 ARG A 51 28.471 -5.405 4.061 1.00 23.21 H new ATOM 0 HB3 ARG A 51 29.459 -6.181 2.839 1.00 23.21 H new ATOM 0 HG2 ARG A 51 27.906 -3.642 2.262 1.00 31.23 H new ATOM 0 HG3 ARG A 51 29.510 -3.608 2.966 1.00 31.23 H new ATOM 0 HD2 ARG A 51 30.372 -4.930 1.024 1.00 51.20 H new ATOM 0 HD3 ARG A 51 28.769 -4.913 0.316 1.00 51.20 H new ATOM 0 HE ARG A 51 29.304 -2.226 0.731 1.00 3.52 H new ATOM 0 HH11 ARG A 51 30.958 -4.895 -0.883 1.00 74.42 H new ATOM 0 HH12 ARG A 51 31.730 -3.847 -2.077 1.00 74.42 H new ATOM 0 HH21 ARG A 51 30.299 -0.886 -0.808 1.00 24.35 H new ATOM 0 HH22 ARG A 51 31.358 -1.587 -2.035 1.00 24.35 H new ATOM 732 N VAL A 52 28.338 -8.222 1.408 1.00 62.02 N ATOM 733 CA VAL A 52 28.647 -9.640 1.264 1.00 12.23 C ATOM 734 C VAL A 52 29.306 -10.189 2.524 1.00 4.13 C ATOM 735 O VAL A 52 30.236 -9.590 3.063 1.00 42.55 O ATOM 736 CB VAL A 52 29.574 -9.893 0.061 1.00 73.44 C ATOM 737 CG1 VAL A 52 28.925 -9.404 -1.225 1.00 43.03 C ATOM 738 CG2 VAL A 52 30.922 -9.223 0.276 1.00 10.33 C ATOM 0 H VAL A 52 28.738 -7.628 0.682 1.00 62.02 H new ATOM 0 HA VAL A 52 27.701 -10.155 1.098 1.00 12.23 H new ATOM 0 HB VAL A 52 29.739 -10.967 -0.029 1.00 73.44 H new ATOM 0 HG11 VAL A 52 29.595 -9.591 -2.064 1.00 43.03 H new ATOM 0 HG12 VAL A 52 27.987 -9.935 -1.384 1.00 43.03 H new ATOM 0 HG13 VAL A 52 28.728 -8.335 -1.149 1.00 43.03 H new ATOM 0 HG21 VAL A 52 31.564 -9.413 -0.584 1.00 10.33 H new ATOM 0 HG22 VAL A 52 30.780 -8.149 0.393 1.00 10.33 H new ATOM 0 HG23 VAL A 52 31.390 -9.627 1.174 1.00 10.33 H new ATOM 748 N GLY A 53 28.818 -11.335 2.990 1.00 4.31 N ATOM 749 CA GLY A 53 29.373 -11.946 4.184 1.00 73.54 C ATOM 750 C GLY A 53 28.522 -11.695 5.413 1.00 74.45 C ATOM 751 O GLY A 53 28.891 -12.081 6.522 1.00 65.55 O ATOM 0 H GLY A 53 28.049 -11.851 2.562 1.00 4.31 H new ATOM 0 HA2 GLY A 53 29.471 -13.020 4.027 1.00 73.54 H new ATOM 0 HA3 GLY A 53 30.376 -11.556 4.355 1.00 73.54 H new ATOM 755 N ASP A 54 27.380 -11.046 5.217 1.00 53.35 N ATOM 756 CA ASP A 54 26.474 -10.743 6.318 1.00 15.43 C ATOM 757 C ASP A 54 25.292 -11.708 6.332 1.00 64.03 C ATOM 758 O ASP A 54 24.744 -12.046 5.283 1.00 31.23 O ATOM 759 CB ASP A 54 25.970 -9.302 6.211 1.00 31.51 C ATOM 760 CG ASP A 54 27.080 -8.286 6.391 1.00 42.11 C ATOM 761 OD1 ASP A 54 28.146 -8.660 6.922 1.00 23.20 O ATOM 762 OD2 ASP A 54 26.883 -7.116 6.001 1.00 14.22 O ATOM 0 H ASP A 54 27.060 -10.719 4.305 1.00 53.35 H new ATOM 0 HA ASP A 54 27.026 -10.859 7.251 1.00 15.43 H new ATOM 0 HB2 ASP A 54 25.501 -9.155 5.238 1.00 31.51 H new ATOM 0 HB3 ASP A 54 25.200 -9.132 6.964 1.00 31.51 H new ATOM 767 N GLN A 55 24.908 -12.148 7.525 1.00 11.05 N ATOM 768 CA GLN A 55 23.793 -13.076 7.674 1.00 1.03 C ATOM 769 C GLN A 55 22.490 -12.325 7.928 1.00 70.31 C ATOM 770 O GLN A 55 22.406 -11.495 8.834 1.00 34.21 O ATOM 771 CB GLN A 55 24.064 -14.052 8.820 1.00 23.41 C ATOM 772 CG GLN A 55 25.382 -14.798 8.685 1.00 4.43 C ATOM 773 CD GLN A 55 25.361 -16.149 9.371 1.00 63.50 C ATOM 774 OE1 GLN A 55 25.905 -16.313 10.464 1.00 40.23 O ATOM 775 NE2 GLN A 55 24.732 -17.128 8.732 1.00 74.15 N ATOM 0 H GLN A 55 25.352 -11.877 8.403 1.00 11.05 H new ATOM 0 HA GLN A 55 23.693 -13.636 6.745 1.00 1.03 H new ATOM 0 HB2 GLN A 55 24.061 -13.503 9.762 1.00 23.41 H new ATOM 0 HB3 GLN A 55 23.250 -14.775 8.870 1.00 23.41 H new ATOM 0 HG2 GLN A 55 25.611 -14.935 7.628 1.00 4.43 H new ATOM 0 HG3 GLN A 55 26.183 -14.192 9.109 1.00 4.43 H new ATOM 0 HE21 GLN A 55 24.295 -16.949 7.828 1.00 74.15 H new ATOM 0 HE22 GLN A 55 24.686 -18.060 9.145 1.00 74.15 H new ATOM 784 N LEU A 56 21.476 -12.621 7.122 1.00 21.43 N ATOM 785 CA LEU A 56 20.176 -11.974 7.259 1.00 31.00 C ATOM 786 C LEU A 56 19.096 -12.991 7.612 1.00 34.32 C ATOM 787 O LEU A 56 18.733 -13.837 6.794 1.00 12.31 O ATOM 788 CB LEU A 56 19.806 -11.249 5.964 1.00 63.44 C ATOM 789 CG LEU A 56 20.196 -9.773 5.886 1.00 44.04 C ATOM 790 CD1 LEU A 56 21.705 -9.625 5.763 1.00 60.31 C ATOM 791 CD2 LEU A 56 19.496 -9.097 4.716 1.00 73.21 C ATOM 0 H LEU A 56 21.529 -13.305 6.367 1.00 21.43 H new ATOM 0 HA LEU A 56 20.243 -11.247 8.069 1.00 31.00 H new ATOM 0 HB2 LEU A 56 20.275 -11.773 5.131 1.00 63.44 H new ATOM 0 HB3 LEU A 56 18.728 -11.327 5.823 1.00 63.44 H new ATOM 0 HG LEU A 56 19.877 -9.284 6.807 1.00 44.04 H new ATOM 0 HD11 LEU A 56 21.964 -8.568 5.709 1.00 60.31 H new ATOM 0 HD12 LEU A 56 22.187 -10.072 6.633 1.00 60.31 H new ATOM 0 HD13 LEU A 56 22.048 -10.129 4.859 1.00 60.31 H new ATOM 0 HD21 LEU A 56 19.786 -8.047 4.676 1.00 73.21 H new ATOM 0 HD22 LEU A 56 19.784 -9.588 3.787 1.00 73.21 H new ATOM 0 HD23 LEU A 56 18.416 -9.171 4.846 1.00 73.21 H new ATOM 803 N VAL A 57 18.583 -12.902 8.836 1.00 64.34 N ATOM 804 CA VAL A 57 17.542 -13.813 9.296 1.00 12.44 C ATOM 805 C VAL A 57 16.183 -13.122 9.329 1.00 42.23 C ATOM 806 O VAL A 57 15.151 -13.748 9.087 1.00 21.05 O ATOM 807 CB VAL A 57 17.859 -14.364 10.699 1.00 14.02 C ATOM 808 CG1 VAL A 57 18.965 -15.405 10.626 1.00 22.15 C ATOM 809 CG2 VAL A 57 18.241 -13.233 11.642 1.00 15.10 C ATOM 0 H VAL A 57 18.872 -12.208 9.526 1.00 64.34 H new ATOM 0 HA VAL A 57 17.509 -14.640 8.587 1.00 12.44 H new ATOM 0 HB VAL A 57 16.964 -14.847 11.092 1.00 14.02 H new ATOM 0 HG11 VAL A 57 19.175 -15.783 11.626 1.00 22.15 H new ATOM 0 HG12 VAL A 57 18.648 -16.229 9.986 1.00 22.15 H new ATOM 0 HG13 VAL A 57 19.866 -14.951 10.213 1.00 22.15 H new ATOM 0 HG21 VAL A 57 18.462 -13.641 12.629 1.00 15.10 H new ATOM 0 HG22 VAL A 57 19.122 -12.719 11.256 1.00 15.10 H new ATOM 0 HG23 VAL A 57 17.414 -12.527 11.718 1.00 15.10 H new ATOM 819 N ARG A 58 16.191 -11.827 9.628 1.00 51.10 N ATOM 820 CA ARG A 58 14.959 -11.050 9.693 1.00 73.44 C ATOM 821 C ARG A 58 14.043 -11.575 10.795 1.00 51.51 C ATOM 822 O ARG A 58 12.859 -11.240 10.844 1.00 30.32 O ATOM 823 CB ARG A 58 14.232 -11.094 8.347 1.00 31.32 C ATOM 824 CG ARG A 58 15.096 -10.662 7.174 1.00 70.32 C ATOM 825 CD ARG A 58 14.735 -11.422 5.907 1.00 41.12 C ATOM 826 NE ARG A 58 15.909 -12.009 5.267 1.00 24.24 N ATOM 827 CZ ARG A 58 15.851 -13.030 4.420 1.00 62.33 C ATOM 828 NH1 ARG A 58 14.682 -13.574 4.111 1.00 40.11 N ATOM 829 NH2 ARG A 58 16.964 -13.509 3.879 1.00 61.24 N ATOM 0 H ARG A 58 17.037 -11.294 9.829 1.00 51.10 H new ATOM 0 HA ARG A 58 15.222 -10.017 9.923 1.00 73.44 H new ATOM 0 HB2 ARG A 58 13.874 -12.108 8.170 1.00 31.32 H new ATOM 0 HB3 ARG A 58 13.354 -10.450 8.397 1.00 31.32 H new ATOM 0 HG2 ARG A 58 14.974 -9.592 7.005 1.00 70.32 H new ATOM 0 HG3 ARG A 58 16.146 -10.829 7.413 1.00 70.32 H new ATOM 0 HD2 ARG A 58 14.022 -12.210 6.148 1.00 41.12 H new ATOM 0 HD3 ARG A 58 14.241 -10.747 5.208 1.00 41.12 H new ATOM 0 HE ARG A 58 16.824 -11.613 5.482 1.00 24.24 H new ATOM 0 HH11 ARG A 58 13.824 -13.208 4.524 1.00 40.11 H new ATOM 0 HH12 ARG A 58 14.641 -14.358 3.460 1.00 40.11 H new ATOM 0 HH21 ARG A 58 17.865 -13.093 4.114 1.00 61.24 H new ATOM 0 HH22 ARG A 58 16.918 -14.293 3.229 1.00 61.24 H new ATOM 843 N PHE A 59 14.599 -12.398 11.677 1.00 30.12 N ATOM 844 CA PHE A 59 13.832 -12.970 12.778 1.00 4.00 C ATOM 845 C PHE A 59 14.654 -12.983 14.064 1.00 70.02 C ATOM 846 O PHE A 59 15.877 -13.111 14.030 1.00 64.01 O ATOM 847 CB PHE A 59 13.384 -14.391 12.431 1.00 24.33 C ATOM 848 CG PHE A 59 12.368 -14.949 13.386 1.00 24.44 C ATOM 849 CD1 PHE A 59 11.328 -14.161 13.851 1.00 41.22 C ATOM 850 CD2 PHE A 59 12.454 -16.263 13.820 1.00 10.53 C ATOM 851 CE1 PHE A 59 10.391 -14.671 14.729 1.00 22.35 C ATOM 852 CE2 PHE A 59 11.520 -16.779 14.698 1.00 11.45 C ATOM 853 CZ PHE A 59 10.488 -15.982 15.155 1.00 50.24 C ATOM 0 H PHE A 59 15.578 -12.684 11.651 1.00 30.12 H new ATOM 0 HA PHE A 59 12.951 -12.348 12.937 1.00 4.00 H new ATOM 0 HB2 PHE A 59 12.966 -14.396 11.424 1.00 24.33 H new ATOM 0 HB3 PHE A 59 14.256 -15.045 12.417 1.00 24.33 H new ATOM 0 HD1 PHE A 59 11.249 -13.135 13.523 1.00 41.22 H new ATOM 0 HD2 PHE A 59 13.260 -16.890 13.468 1.00 10.53 H new ATOM 0 HE1 PHE A 59 9.584 -14.046 15.082 1.00 22.35 H new ATOM 0 HE2 PHE A 59 11.597 -17.805 15.027 1.00 11.45 H new ATOM 0 HZ PHE A 59 9.759 -16.383 15.844 1.00 50.24 H new ATOM 863 N ALA A 60 13.972 -12.849 15.196 1.00 15.03 N ATOM 864 CA ALA A 60 14.637 -12.847 16.493 1.00 13.33 C ATOM 865 C ALA A 60 15.070 -14.254 16.891 1.00 52.34 C ATOM 866 O ALA A 60 15.836 -14.434 17.836 1.00 34.24 O ATOM 867 CB ALA A 60 13.721 -12.255 17.555 1.00 44.42 C ATOM 0 H ALA A 60 12.959 -12.740 15.241 1.00 15.03 H new ATOM 0 HA ALA A 60 15.531 -12.229 16.414 1.00 13.33 H new ATOM 0 HB1 ALA A 60 14.230 -12.260 18.519 1.00 44.42 H new ATOM 0 HB2 ALA A 60 13.465 -11.230 17.285 1.00 44.42 H new ATOM 0 HB3 ALA A 60 12.810 -12.850 17.623 1.00 44.42 H new ATOM 873 N GLY A 61 14.574 -15.249 16.162 1.00 53.14 N ATOM 874 CA GLY A 61 14.920 -16.627 16.454 1.00 23.45 C ATOM 875 C GLY A 61 16.174 -17.076 15.731 1.00 24.10 C ATOM 876 O GLY A 61 16.480 -18.268 15.685 1.00 50.02 O ATOM 0 H GLY A 61 13.938 -15.125 15.374 1.00 53.14 H new ATOM 0 HA2 GLY A 61 15.063 -16.743 17.528 1.00 23.45 H new ATOM 0 HA3 GLY A 61 14.090 -17.274 16.171 1.00 23.45 H new ATOM 880 N TYR A 62 16.902 -16.121 15.163 1.00 12.44 N ATOM 881 CA TYR A 62 18.128 -16.424 14.435 1.00 73.22 C ATOM 882 C TYR A 62 17.890 -17.520 13.401 1.00 74.24 C ATOM 883 O TYR A 62 18.406 -18.631 13.524 1.00 22.35 O ATOM 884 CB TYR A 62 19.229 -16.854 15.405 1.00 4.20 C ATOM 885 CG TYR A 62 19.356 -15.955 16.614 1.00 12.22 C ATOM 886 CD1 TYR A 62 19.626 -14.599 16.471 1.00 21.31 C ATOM 887 CD2 TYR A 62 19.206 -16.461 17.899 1.00 10.44 C ATOM 888 CE1 TYR A 62 19.743 -13.774 17.573 1.00 62.12 C ATOM 889 CE2 TYR A 62 19.320 -15.643 19.007 1.00 52.33 C ATOM 890 CZ TYR A 62 19.589 -14.300 18.838 1.00 33.34 C ATOM 891 OH TYR A 62 19.704 -13.482 19.939 1.00 23.50 O ATOM 0 H TYR A 62 16.664 -15.130 15.193 1.00 12.44 H new ATOM 0 HA TYR A 62 18.444 -15.520 13.914 1.00 73.22 H new ATOM 0 HB2 TYR A 62 19.030 -17.872 15.739 1.00 4.20 H new ATOM 0 HB3 TYR A 62 20.181 -16.873 14.875 1.00 4.20 H new ATOM 0 HD1 TYR A 62 19.746 -14.183 15.482 1.00 21.31 H new ATOM 0 HD2 TYR A 62 18.997 -17.512 18.034 1.00 10.44 H new ATOM 0 HE1 TYR A 62 19.954 -12.723 17.444 1.00 62.12 H new ATOM 0 HE2 TYR A 62 19.199 -16.052 19.999 1.00 52.33 H new ATOM 0 HH TYR A 62 19.567 -14.009 20.754 1.00 23.50 H new ATOM 901 N THR A 63 17.103 -17.199 12.378 1.00 70.11 N ATOM 902 CA THR A 63 16.795 -18.155 11.321 1.00 14.55 C ATOM 903 C THR A 63 16.031 -17.488 10.183 1.00 43.22 C ATOM 904 O THR A 63 15.464 -16.408 10.351 1.00 43.04 O ATOM 905 CB THR A 63 15.965 -19.337 11.858 1.00 41.45 C ATOM 906 OG1 THR A 63 15.581 -20.195 10.778 1.00 63.32 O ATOM 907 CG2 THR A 63 14.724 -18.841 12.584 1.00 32.10 C ATOM 0 H THR A 63 16.667 -16.284 12.259 1.00 70.11 H new ATOM 0 HA THR A 63 17.747 -18.530 10.945 1.00 14.55 H new ATOM 0 HB THR A 63 16.581 -19.894 12.564 1.00 41.45 H new ATOM 0 HG1 THR A 63 15.055 -20.945 11.127 1.00 63.32 H new ATOM 0 HG21 THR A 63 14.154 -19.693 12.954 1.00 32.10 H new ATOM 0 HG22 THR A 63 15.020 -18.211 13.423 1.00 32.10 H new ATOM 0 HG23 THR A 63 14.107 -18.263 11.896 1.00 32.10 H new ATOM 915 N VAL A 64 16.020 -18.138 9.024 1.00 71.15 N ATOM 916 CA VAL A 64 15.324 -17.609 7.857 1.00 41.42 C ATOM 917 C VAL A 64 14.742 -18.733 7.007 1.00 42.30 C ATOM 918 O VAL A 64 15.088 -19.902 7.182 1.00 40.34 O ATOM 919 CB VAL A 64 16.262 -16.753 6.984 1.00 32.14 C ATOM 920 CG1 VAL A 64 17.073 -17.635 6.048 1.00 61.50 C ATOM 921 CG2 VAL A 64 15.465 -15.721 6.201 1.00 43.31 C ATOM 0 H VAL A 64 16.485 -19.032 8.868 1.00 71.15 H new ATOM 0 HA VAL A 64 14.514 -16.982 8.229 1.00 41.42 H new ATOM 0 HB VAL A 64 16.956 -16.224 7.637 1.00 32.14 H new ATOM 0 HG11 VAL A 64 17.729 -17.013 5.440 1.00 61.50 H new ATOM 0 HG12 VAL A 64 17.673 -18.332 6.633 1.00 61.50 H new ATOM 0 HG13 VAL A 64 16.399 -18.194 5.399 1.00 61.50 H new ATOM 0 HG21 VAL A 64 16.143 -15.125 5.590 1.00 43.31 H new ATOM 0 HG22 VAL A 64 14.747 -16.228 5.557 1.00 43.31 H new ATOM 0 HG23 VAL A 64 14.934 -15.069 6.894 1.00 43.31 H new ATOM 931 N THR A 65 13.856 -18.372 6.084 1.00 14.44 N ATOM 932 CA THR A 65 13.224 -19.349 5.207 1.00 64.20 C ATOM 933 C THR A 65 13.892 -19.370 3.837 1.00 55.45 C ATOM 934 O THR A 65 14.660 -20.279 3.524 1.00 14.30 O ATOM 935 CB THR A 65 11.722 -19.058 5.030 1.00 43.12 C ATOM 936 OG1 THR A 65 11.446 -17.693 5.362 1.00 55.32 O ATOM 937 CG2 THR A 65 10.886 -19.978 5.906 1.00 14.21 C ATOM 0 H THR A 65 13.560 -17.409 5.925 1.00 14.44 H new ATOM 0 HA THR A 65 13.343 -20.323 5.681 1.00 64.20 H new ATOM 0 HB THR A 65 11.459 -19.238 3.988 1.00 43.12 H new ATOM 0 HG1 THR A 65 10.489 -17.515 5.245 1.00 55.32 H new ATOM 0 HG21 THR A 65 9.829 -19.754 5.764 1.00 14.21 H new ATOM 0 HG22 THR A 65 11.077 -21.015 5.631 1.00 14.21 H new ATOM 0 HG23 THR A 65 11.152 -19.825 6.952 1.00 14.21 H new ATOM 945 N GLU A 66 13.593 -18.361 3.023 1.00 25.12 N ATOM 946 CA GLU A 66 14.166 -18.265 1.685 1.00 14.14 C ATOM 947 C GLU A 66 14.166 -16.819 1.197 1.00 62.23 C ATOM 948 O GLU A 66 13.824 -15.900 1.942 1.00 42.24 O ATOM 949 CB GLU A 66 13.384 -19.145 0.708 1.00 51.12 C ATOM 950 CG GLU A 66 11.985 -18.632 0.412 1.00 14.21 C ATOM 951 CD GLU A 66 10.906 -19.626 0.796 1.00 54.22 C ATOM 952 OE1 GLU A 66 11.099 -20.356 1.791 1.00 50.33 O ATOM 953 OE2 GLU A 66 9.869 -19.674 0.102 1.00 72.32 O ATOM 0 H GLU A 66 12.959 -17.600 3.266 1.00 25.12 H new ATOM 0 HA GLU A 66 15.197 -18.615 1.732 1.00 14.14 H new ATOM 0 HB2 GLU A 66 13.940 -19.218 -0.227 1.00 51.12 H new ATOM 0 HB3 GLU A 66 13.313 -20.153 1.117 1.00 51.12 H new ATOM 0 HG2 GLU A 66 11.823 -17.699 0.951 1.00 14.21 H new ATOM 0 HG3 GLU A 66 11.903 -18.405 -0.651 1.00 14.21 H new ATOM 960 N LEU A 67 14.553 -16.626 -0.059 1.00 41.13 N ATOM 961 CA LEU A 67 14.599 -15.292 -0.649 1.00 64.41 C ATOM 962 C LEU A 67 13.198 -14.702 -0.771 1.00 2.13 C ATOM 963 O LEU A 67 13.019 -13.486 -0.708 1.00 72.12 O ATOM 964 CB LEU A 67 15.264 -15.345 -2.026 1.00 4.24 C ATOM 965 CG LEU A 67 14.803 -16.471 -2.951 1.00 64.23 C ATOM 966 CD1 LEU A 67 14.088 -15.904 -4.167 1.00 53.32 C ATOM 967 CD2 LEU A 67 15.986 -17.328 -3.378 1.00 61.32 C ATOM 0 H LEU A 67 14.839 -17.376 -0.689 1.00 41.13 H new ATOM 0 HA LEU A 67 15.187 -14.651 0.008 1.00 64.41 H new ATOM 0 HB2 LEU A 67 15.088 -14.394 -2.529 1.00 4.24 H new ATOM 0 HB3 LEU A 67 16.341 -15.436 -1.884 1.00 4.24 H new ATOM 0 HG LEU A 67 14.102 -17.101 -2.403 1.00 64.23 H new ATOM 0 HD11 LEU A 67 13.767 -16.720 -4.814 1.00 53.32 H new ATOM 0 HD12 LEU A 67 13.217 -15.333 -3.844 1.00 53.32 H new ATOM 0 HD13 LEU A 67 14.766 -15.251 -4.716 1.00 53.32 H new ATOM 0 HD21 LEU A 67 15.639 -18.125 -4.036 1.00 61.32 H new ATOM 0 HD22 LEU A 67 16.711 -16.710 -3.907 1.00 61.32 H new ATOM 0 HD23 LEU A 67 16.456 -17.764 -2.497 1.00 61.32 H new ATOM 979 N ALA A 68 12.208 -15.572 -0.943 1.00 1.52 N ATOM 980 CA ALA A 68 10.823 -15.137 -1.069 1.00 14.43 C ATOM 981 C ALA A 68 10.391 -14.320 0.145 1.00 61.12 C ATOM 982 O ALA A 68 9.633 -13.359 0.020 1.00 0.22 O ATOM 983 CB ALA A 68 9.907 -16.338 -1.252 1.00 11.23 C ATOM 0 H ALA A 68 12.340 -16.582 -0.998 1.00 1.52 H new ATOM 0 HA ALA A 68 10.748 -14.499 -1.949 1.00 14.43 H new ATOM 0 HB1 ALA A 68 8.876 -15.998 -1.345 1.00 11.23 H new ATOM 0 HB2 ALA A 68 10.193 -16.880 -2.154 1.00 11.23 H new ATOM 0 HB3 ALA A 68 9.995 -16.998 -0.389 1.00 11.23 H new ATOM 989 N ALA A 69 10.878 -14.710 1.318 1.00 4.02 N ATOM 990 CA ALA A 69 10.544 -14.013 2.554 1.00 71.11 C ATOM 991 C ALA A 69 11.164 -12.620 2.584 1.00 60.32 C ATOM 992 O ALA A 69 10.577 -11.680 3.119 1.00 10.23 O ATOM 993 CB ALA A 69 11.002 -14.823 3.757 1.00 25.14 C ATOM 0 H ALA A 69 11.505 -15.505 1.439 1.00 4.02 H new ATOM 0 HA ALA A 69 9.461 -13.900 2.597 1.00 71.11 H new ATOM 0 HB1 ALA A 69 10.746 -14.290 4.673 1.00 25.14 H new ATOM 0 HB2 ALA A 69 10.507 -15.794 3.752 1.00 25.14 H new ATOM 0 HB3 ALA A 69 12.082 -14.966 3.710 1.00 25.14 H new ATOM 999 N PHE A 70 12.354 -12.495 2.006 1.00 22.12 N ATOM 1000 CA PHE A 70 13.055 -11.217 1.968 1.00 10.24 C ATOM 1001 C PHE A 70 12.326 -10.223 1.069 1.00 73.22 C ATOM 1002 O PHE A 70 12.322 -9.021 1.329 1.00 1.12 O ATOM 1003 CB PHE A 70 14.490 -11.412 1.474 1.00 53.02 C ATOM 1004 CG PHE A 70 15.289 -10.141 1.435 1.00 54.30 C ATOM 1005 CD1 PHE A 70 15.240 -9.310 0.327 1.00 2.02 C ATOM 1006 CD2 PHE A 70 16.088 -9.777 2.506 1.00 5.42 C ATOM 1007 CE1 PHE A 70 15.974 -8.139 0.288 1.00 32.23 C ATOM 1008 CE2 PHE A 70 16.824 -8.607 2.473 1.00 11.02 C ATOM 1009 CZ PHE A 70 16.768 -7.788 1.363 1.00 55.25 C ATOM 0 H PHE A 70 12.853 -13.263 1.557 1.00 22.12 H new ATOM 0 HA PHE A 70 13.079 -10.814 2.981 1.00 10.24 H new ATOM 0 HB2 PHE A 70 14.994 -12.129 2.122 1.00 53.02 H new ATOM 0 HB3 PHE A 70 14.466 -11.847 0.475 1.00 53.02 H new ATOM 0 HD1 PHE A 70 14.621 -9.580 -0.516 1.00 2.02 H new ATOM 0 HD2 PHE A 70 16.137 -10.414 3.377 1.00 5.42 H new ATOM 0 HE1 PHE A 70 15.927 -7.500 -0.581 1.00 32.23 H new ATOM 0 HE2 PHE A 70 17.442 -8.334 3.315 1.00 11.02 H new ATOM 0 HZ PHE A 70 17.344 -6.875 1.335 1.00 55.25 H new ATOM 1019 N ASN A 71 11.710 -10.736 0.009 1.00 54.34 N ATOM 1020 CA ASN A 71 10.978 -9.894 -0.931 1.00 74.10 C ATOM 1021 C ASN A 71 9.675 -9.394 -0.313 1.00 64.11 C ATOM 1022 O ASN A 71 9.240 -8.273 -0.577 1.00 55.11 O ATOM 1023 CB ASN A 71 10.681 -10.668 -2.217 1.00 32.30 C ATOM 1024 CG ASN A 71 10.719 -9.782 -3.447 1.00 64.31 C ATOM 1025 OD1 ASN A 71 10.312 -8.621 -3.403 1.00 23.33 O ATOM 1026 ND2 ASN A 71 11.210 -10.328 -4.554 1.00 5.12 N ATOM 0 H ASN A 71 11.703 -11.730 -0.221 1.00 54.34 H new ATOM 0 HA ASN A 71 11.601 -9.032 -1.169 1.00 74.10 H new ATOM 0 HB2 ASN A 71 11.408 -11.473 -2.330 1.00 32.30 H new ATOM 0 HB3 ASN A 71 9.699 -11.134 -2.139 1.00 32.30 H new ATOM 0 HD21 ASN A 71 11.261 -9.781 -5.413 1.00 5.12 H new ATOM 0 HD22 ASN A 71 11.536 -11.294 -4.545 1.00 5.12 H new ATOM 1033 N THR A 72 9.058 -10.234 0.512 1.00 14.42 N ATOM 1034 CA THR A 72 7.805 -9.878 1.168 1.00 64.24 C ATOM 1035 C THR A 72 8.033 -8.843 2.263 1.00 53.30 C ATOM 1036 O THR A 72 7.310 -7.850 2.353 1.00 71.22 O ATOM 1037 CB THR A 72 7.121 -11.115 1.780 1.00 0.10 C ATOM 1038 OG1 THR A 72 7.945 -11.670 2.811 1.00 31.41 O ATOM 1039 CG2 THR A 72 6.853 -12.168 0.715 1.00 2.14 C ATOM 0 H THR A 72 9.405 -11.165 0.742 1.00 14.42 H new ATOM 0 HA THR A 72 7.155 -9.455 0.402 1.00 64.24 H new ATOM 0 HB THR A 72 6.168 -10.802 2.206 1.00 0.10 H new ATOM 0 HG1 THR A 72 8.887 -11.604 2.548 1.00 31.41 H new ATOM 0 HG21 THR A 72 6.370 -13.032 1.171 1.00 2.14 H new ATOM 0 HG22 THR A 72 6.202 -11.751 -0.053 1.00 2.14 H new ATOM 0 HG23 THR A 72 7.796 -12.476 0.263 1.00 2.14 H new ATOM 1047 N VAL A 73 9.042 -9.080 3.095 1.00 42.33 N ATOM 1048 CA VAL A 73 9.366 -8.166 4.184 1.00 61.12 C ATOM 1049 C VAL A 73 9.758 -6.793 3.651 1.00 42.43 C ATOM 1050 O VAL A 73 9.376 -5.765 4.211 1.00 61.03 O ATOM 1051 CB VAL A 73 10.513 -8.714 5.053 1.00 3.34 C ATOM 1052 CG1 VAL A 73 10.073 -9.970 5.790 1.00 52.24 C ATOM 1053 CG2 VAL A 73 11.743 -8.989 4.201 1.00 11.10 C ATOM 0 H VAL A 73 9.649 -9.897 3.036 1.00 42.33 H new ATOM 0 HA VAL A 73 8.469 -8.072 4.796 1.00 61.12 H new ATOM 0 HB VAL A 73 10.775 -7.960 5.795 1.00 3.34 H new ATOM 0 HG11 VAL A 73 10.897 -10.342 6.399 1.00 52.24 H new ATOM 0 HG12 VAL A 73 9.224 -9.736 6.432 1.00 52.24 H new ATOM 0 HG13 VAL A 73 9.782 -10.733 5.068 1.00 52.24 H new ATOM 0 HG21 VAL A 73 12.543 -9.376 4.832 1.00 11.10 H new ATOM 0 HG22 VAL A 73 11.498 -9.724 3.435 1.00 11.10 H new ATOM 0 HG23 VAL A 73 12.070 -8.064 3.725 1.00 11.10 H new ATOM 1063 N VAL A 74 10.523 -6.782 2.564 1.00 65.12 N ATOM 1064 CA VAL A 74 10.967 -5.535 1.953 1.00 53.31 C ATOM 1065 C VAL A 74 9.794 -4.773 1.345 1.00 61.40 C ATOM 1066 O VAL A 74 9.617 -3.582 1.597 1.00 51.02 O ATOM 1067 CB VAL A 74 12.022 -5.789 0.860 1.00 53.22 C ATOM 1068 CG1 VAL A 74 12.292 -4.516 0.072 1.00 73.01 C ATOM 1069 CG2 VAL A 74 13.305 -6.328 1.474 1.00 71.05 C ATOM 0 H VAL A 74 10.848 -7.624 2.088 1.00 65.12 H new ATOM 0 HA VAL A 74 11.414 -4.936 2.746 1.00 53.31 H new ATOM 0 HB VAL A 74 11.633 -6.538 0.171 1.00 53.22 H new ATOM 0 HG11 VAL A 74 13.040 -4.715 -0.696 1.00 73.01 H new ATOM 0 HG12 VAL A 74 11.369 -4.177 -0.399 1.00 73.01 H new ATOM 0 HG13 VAL A 74 12.660 -3.742 0.746 1.00 73.01 H new ATOM 0 HG21 VAL A 74 14.040 -6.502 0.688 1.00 71.05 H new ATOM 0 HG22 VAL A 74 13.700 -5.603 2.186 1.00 71.05 H new ATOM 0 HG23 VAL A 74 13.096 -7.266 1.989 1.00 71.05 H new ATOM 1079 N ALA A 75 8.995 -5.470 0.543 1.00 22.24 N ATOM 1080 CA ALA A 75 7.837 -4.861 -0.099 1.00 3.22 C ATOM 1081 C ALA A 75 6.801 -4.429 0.933 1.00 1.12 C ATOM 1082 O ALA A 75 6.239 -3.337 0.843 1.00 20.31 O ATOM 1083 CB ALA A 75 7.219 -5.827 -1.098 1.00 52.03 C ATOM 0 H ALA A 75 9.129 -6.457 0.323 1.00 22.24 H new ATOM 0 HA ALA A 75 8.174 -3.971 -0.631 1.00 3.22 H new ATOM 0 HB1 ALA A 75 6.355 -5.359 -1.570 1.00 52.03 H new ATOM 0 HB2 ALA A 75 7.955 -6.082 -1.860 1.00 52.03 H new ATOM 0 HB3 ALA A 75 6.903 -6.733 -0.581 1.00 52.03 H new ATOM 1089 N ARG A 76 6.552 -5.292 1.912 1.00 25.44 N ATOM 1090 CA ARG A 76 5.582 -5.000 2.960 1.00 31.34 C ATOM 1091 C ARG A 76 5.856 -3.638 3.591 1.00 53.14 C ATOM 1092 O ARG A 76 4.929 -2.902 3.932 1.00 71.32 O ATOM 1093 CB ARG A 76 5.618 -6.088 4.036 1.00 53.04 C ATOM 1094 CG ARG A 76 4.532 -7.140 3.874 1.00 4.23 C ATOM 1095 CD ARG A 76 4.335 -7.518 2.415 1.00 44.34 C ATOM 1096 NE ARG A 76 3.194 -6.827 1.820 1.00 64.24 N ATOM 1097 CZ ARG A 76 1.932 -7.195 2.010 1.00 42.04 C ATOM 1098 NH1 ARG A 76 1.651 -8.240 2.775 1.00 72.51 N ATOM 1099 NH2 ARG A 76 0.948 -6.516 1.434 1.00 41.10 N ATOM 0 H ARG A 76 7.009 -6.200 2.001 1.00 25.44 H new ATOM 0 HA ARG A 76 4.591 -4.979 2.506 1.00 31.34 H new ATOM 0 HB2 ARG A 76 6.592 -6.577 4.014 1.00 53.04 H new ATOM 0 HB3 ARG A 76 5.517 -5.622 5.016 1.00 53.04 H new ATOM 0 HG2 ARG A 76 4.796 -8.028 4.448 1.00 4.23 H new ATOM 0 HG3 ARG A 76 3.595 -6.763 4.283 1.00 4.23 H new ATOM 0 HD2 ARG A 76 5.238 -7.278 1.853 1.00 44.34 H new ATOM 0 HD3 ARG A 76 4.188 -8.595 2.336 1.00 44.34 H new ATOM 0 HE ARG A 76 3.376 -6.018 1.226 1.00 64.24 H new ATOM 0 HH11 ARG A 76 2.405 -8.764 3.220 1.00 72.51 H new ATOM 0 HH12 ARG A 76 0.681 -8.520 2.919 1.00 72.51 H new ATOM 0 HH21 ARG A 76 1.161 -5.711 0.845 1.00 41.10 H new ATOM 0 HH22 ARG A 76 -0.021 -6.799 1.580 1.00 41.10 H new ATOM 1113 N HIS A 77 7.134 -3.308 3.743 1.00 65.22 N ATOM 1114 CA HIS A 77 7.531 -2.034 4.332 1.00 35.00 C ATOM 1115 C HIS A 77 8.310 -1.190 3.328 1.00 24.32 C ATOM 1116 O HIS A 77 9.448 -0.796 3.585 1.00 41.15 O ATOM 1117 CB HIS A 77 8.376 -2.268 5.585 1.00 75.14 C ATOM 1118 CG HIS A 77 7.934 -3.449 6.393 1.00 13.12 C ATOM 1119 ND1 HIS A 77 8.786 -4.466 6.768 1.00 42.12 N ATOM 1120 CD2 HIS A 77 6.721 -3.770 6.901 1.00 72.54 C ATOM 1121 CE1 HIS A 77 8.116 -5.363 7.469 1.00 4.12 C ATOM 1122 NE2 HIS A 77 6.861 -4.964 7.565 1.00 72.33 N ATOM 0 H HIS A 77 7.913 -3.905 3.466 1.00 65.22 H new ATOM 0 HA HIS A 77 6.626 -1.493 4.609 1.00 35.00 H new ATOM 0 HB2 HIS A 77 9.416 -2.408 5.291 1.00 75.14 H new ATOM 0 HB3 HIS A 77 8.339 -1.376 6.210 1.00 75.14 H new ATOM 0 HD2 HIS A 77 5.812 -3.194 6.802 1.00 72.54 H new ATOM 0 HE1 HIS A 77 8.525 -6.269 7.892 1.00 4.12 H new ATOM 0 HE2 HIS A 77 6.116 -5.462 8.053 1.00 72.33 H new ATOM 1130 N VAL A 78 7.691 -0.917 2.184 1.00 21.51 N ATOM 1131 CA VAL A 78 8.327 -0.120 1.142 1.00 71.52 C ATOM 1132 C VAL A 78 7.945 1.350 1.264 1.00 13.25 C ATOM 1133 O VAL A 78 7.957 2.090 0.280 1.00 23.42 O ATOM 1134 CB VAL A 78 7.943 -0.624 -0.262 1.00 40.14 C ATOM 1135 CG1 VAL A 78 6.509 -0.240 -0.594 1.00 31.43 C ATOM 1136 CG2 VAL A 78 8.905 -0.076 -1.306 1.00 12.22 C ATOM 0 H VAL A 78 6.750 -1.236 1.955 1.00 21.51 H new ATOM 0 HA VAL A 78 9.404 -0.225 1.276 1.00 71.52 H new ATOM 0 HB VAL A 78 8.014 -1.712 -0.270 1.00 40.14 H new ATOM 0 HG11 VAL A 78 6.256 -0.605 -1.590 1.00 31.43 H new ATOM 0 HG12 VAL A 78 5.835 -0.685 0.138 1.00 31.43 H new ATOM 0 HG13 VAL A 78 6.408 0.845 -0.568 1.00 31.43 H new ATOM 0 HG21 VAL A 78 8.619 -0.442 -2.292 1.00 12.22 H new ATOM 0 HG22 VAL A 78 8.868 1.013 -1.299 1.00 12.22 H new ATOM 0 HG23 VAL A 78 9.918 -0.406 -1.076 1.00 12.22 H new ATOM 1146 N ARG A 79 7.605 1.768 2.480 1.00 44.45 N ATOM 1147 CA ARG A 79 7.219 3.151 2.731 1.00 13.33 C ATOM 1148 C ARG A 79 8.448 4.049 2.835 1.00 51.44 C ATOM 1149 O ARG A 79 9.565 3.589 3.070 1.00 3.21 O ATOM 1150 CB ARG A 79 6.395 3.247 4.017 1.00 75.24 C ATOM 1151 CG ARG A 79 4.893 3.245 3.779 1.00 3.01 C ATOM 1152 CD ARG A 79 4.228 2.040 4.425 1.00 25.41 C ATOM 1153 NE ARG A 79 3.910 2.278 5.830 1.00 14.02 N ATOM 1154 CZ ARG A 79 3.147 1.470 6.558 1.00 21.22 C ATOM 1155 NH1 ARG A 79 2.629 0.376 6.017 1.00 55.43 N ATOM 1156 NH2 ARG A 79 2.903 1.755 7.831 1.00 75.51 N ATOM 0 H ARG A 79 7.589 1.169 3.305 1.00 44.45 H new ATOM 0 HA ARG A 79 6.612 3.490 1.891 1.00 13.33 H new ATOM 0 HB2 ARG A 79 6.653 2.411 4.667 1.00 75.24 H new ATOM 0 HB3 ARG A 79 6.669 4.159 4.547 1.00 75.24 H new ATOM 0 HG2 ARG A 79 4.459 4.160 4.181 1.00 3.01 H new ATOM 0 HG3 ARG A 79 4.693 3.241 2.707 1.00 3.01 H new ATOM 0 HD2 ARG A 79 3.314 1.796 3.883 1.00 25.41 H new ATOM 0 HD3 ARG A 79 4.887 1.176 4.344 1.00 25.41 H new ATOM 0 HE ARG A 79 4.295 3.110 6.277 1.00 14.02 H new ATOM 0 HH11 ARG A 79 2.816 0.153 5.039 1.00 55.43 H new ATOM 0 HH12 ARG A 79 2.044 -0.242 6.578 1.00 55.43 H new ATOM 0 HH21 ARG A 79 3.301 2.595 8.251 1.00 75.51 H new ATOM 0 HH22 ARG A 79 2.317 1.134 8.389 1.00 75.51 H new ATOM 1170 N PRO A 80 8.239 5.362 2.654 1.00 30.01 N ATOM 1171 CA PRO A 80 9.318 6.352 2.722 1.00 11.03 C ATOM 1172 C PRO A 80 9.851 6.532 4.140 1.00 54.13 C ATOM 1173 O PRO A 80 9.128 6.972 5.033 1.00 13.35 O ATOM 1174 CB PRO A 80 8.649 7.640 2.235 1.00 70.32 C ATOM 1175 CG PRO A 80 7.202 7.451 2.533 1.00 14.23 C ATOM 1176 CD PRO A 80 6.933 5.981 2.370 1.00 62.31 C ATOM 0 HA PRO A 80 10.183 6.054 2.129 1.00 11.03 H new ATOM 0 HB2 PRO A 80 9.049 8.513 2.751 1.00 70.32 H new ATOM 0 HB3 PRO A 80 8.817 7.795 1.169 1.00 70.32 H new ATOM 0 HG2 PRO A 80 6.966 7.781 3.545 1.00 14.23 H new ATOM 0 HG3 PRO A 80 6.584 8.038 1.854 1.00 14.23 H new ATOM 0 HD2 PRO A 80 6.165 5.634 3.061 1.00 62.31 H new ATOM 0 HD3 PRO A 80 6.587 5.745 1.364 1.00 62.31 H new ATOM 1184 N SER A 81 11.119 6.189 4.338 1.00 5.40 N ATOM 1185 CA SER A 81 11.748 6.310 5.648 1.00 1.32 C ATOM 1186 C SER A 81 11.079 5.385 6.659 1.00 33.54 C ATOM 1187 O SER A 81 10.483 5.840 7.635 1.00 11.10 O ATOM 1188 CB SER A 81 11.677 7.757 6.140 1.00 43.43 C ATOM 1189 OG SER A 81 12.612 7.989 7.180 1.00 55.03 O ATOM 0 H SER A 81 11.731 5.825 3.608 1.00 5.40 H new ATOM 0 HA SER A 81 12.793 6.018 5.550 1.00 1.32 H new ATOM 0 HB2 SER A 81 11.875 8.436 5.311 1.00 43.43 H new ATOM 0 HB3 SER A 81 10.670 7.974 6.497 1.00 43.43 H new ATOM 0 HG SER A 81 12.548 8.921 7.476 1.00 55.03 H new ATOM 1195 N ALA A 82 11.182 4.082 6.418 1.00 33.31 N ATOM 1196 CA ALA A 82 10.589 3.091 7.308 1.00 72.25 C ATOM 1197 C ALA A 82 11.665 2.282 8.024 1.00 0.30 C ATOM 1198 O ALA A 82 12.462 1.591 7.389 1.00 14.31 O ATOM 1199 CB ALA A 82 9.664 2.168 6.528 1.00 61.23 C ATOM 0 H ALA A 82 11.671 3.688 5.614 1.00 33.31 H new ATOM 0 HA ALA A 82 10.006 3.619 8.063 1.00 72.25 H new ATOM 0 HB1 ALA A 82 9.228 1.433 7.205 1.00 61.23 H new ATOM 0 HB2 ALA A 82 8.869 2.754 6.068 1.00 61.23 H new ATOM 0 HB3 ALA A 82 10.232 1.655 5.752 1.00 61.23 H new ATOM 1205 N SER A 83 11.683 2.374 9.350 1.00 42.11 N ATOM 1206 CA SER A 83 12.665 1.654 10.153 1.00 41.44 C ATOM 1207 C SER A 83 12.092 0.333 10.655 1.00 23.33 C ATOM 1208 O SER A 83 11.118 0.312 11.408 1.00 54.54 O ATOM 1209 CB SER A 83 13.114 2.512 11.337 1.00 2.12 C ATOM 1210 OG SER A 83 12.585 3.824 11.247 1.00 72.51 O ATOM 0 H SER A 83 11.029 2.940 9.891 1.00 42.11 H new ATOM 0 HA SER A 83 13.527 1.439 9.522 1.00 41.44 H new ATOM 0 HB2 SER A 83 12.790 2.049 12.269 1.00 2.12 H new ATOM 0 HB3 SER A 83 14.203 2.557 11.365 1.00 2.12 H new ATOM 0 HG SER A 83 12.885 4.351 12.016 1.00 72.51 H new ATOM 1216 N ILE A 84 12.705 -0.769 10.234 1.00 53.40 N ATOM 1217 CA ILE A 84 12.257 -2.094 10.642 1.00 60.53 C ATOM 1218 C ILE A 84 13.380 -2.868 11.323 1.00 23.44 C ATOM 1219 O ILE A 84 14.505 -2.945 10.828 1.00 11.50 O ATOM 1220 CB ILE A 84 11.743 -2.909 9.440 1.00 21.31 C ATOM 1221 CG1 ILE A 84 11.123 -4.225 9.916 1.00 51.32 C ATOM 1222 CG2 ILE A 84 12.874 -3.175 8.458 1.00 61.41 C ATOM 1223 CD1 ILE A 84 9.653 -4.112 10.256 1.00 4.42 C ATOM 0 H ILE A 84 13.513 -0.770 9.611 1.00 53.40 H new ATOM 0 HA ILE A 84 11.440 -1.947 11.348 1.00 60.53 H new ATOM 0 HB ILE A 84 10.973 -2.330 8.930 1.00 21.31 H new ATOM 0 HG12 ILE A 84 11.251 -4.979 9.140 1.00 51.32 H new ATOM 0 HG13 ILE A 84 11.665 -4.576 10.794 1.00 51.32 H new ATOM 0 HG21 ILE A 84 12.495 -3.752 7.614 1.00 61.41 H new ATOM 0 HG22 ILE A 84 13.275 -2.227 8.099 1.00 61.41 H new ATOM 0 HG23 ILE A 84 13.664 -3.737 8.956 1.00 61.41 H new ATOM 0 HD11 ILE A 84 9.280 -5.082 10.586 1.00 4.42 H new ATOM 0 HD12 ILE A 84 9.519 -3.381 11.054 1.00 4.42 H new ATOM 0 HD13 ILE A 84 9.099 -3.791 9.374 1.00 4.42 H new ATOM 1235 N PRO A 85 13.070 -3.459 12.487 1.00 24.01 N ATOM 1236 CA PRO A 85 14.040 -4.240 13.261 1.00 34.31 C ATOM 1237 C PRO A 85 14.402 -5.555 12.578 1.00 3.41 C ATOM 1238 O PRO A 85 13.532 -6.374 12.285 1.00 31.51 O ATOM 1239 CB PRO A 85 13.309 -4.507 14.579 1.00 14.33 C ATOM 1240 CG PRO A 85 11.862 -4.435 14.232 1.00 52.45 C ATOM 1241 CD PRO A 85 11.750 -3.410 13.137 1.00 73.14 C ATOM 0 HA PRO A 85 14.986 -3.712 13.381 1.00 34.31 H new ATOM 0 HB2 PRO A 85 13.570 -5.484 14.986 1.00 14.33 H new ATOM 0 HB3 PRO A 85 13.572 -3.767 15.334 1.00 14.33 H new ATOM 0 HG2 PRO A 85 11.492 -5.404 13.899 1.00 52.45 H new ATOM 0 HG3 PRO A 85 11.267 -4.147 15.098 1.00 52.45 H new ATOM 0 HD2 PRO A 85 10.949 -3.654 12.439 1.00 73.14 H new ATOM 0 HD3 PRO A 85 11.535 -2.418 13.535 1.00 73.14 H new ATOM 1249 N VAL A 86 15.693 -5.749 12.327 1.00 21.43 N ATOM 1250 CA VAL A 86 16.171 -6.965 11.680 1.00 21.31 C ATOM 1251 C VAL A 86 17.348 -7.567 12.441 1.00 53.43 C ATOM 1252 O VAL A 86 18.264 -6.855 12.852 1.00 12.34 O ATOM 1253 CB VAL A 86 16.598 -6.696 10.225 1.00 3.11 C ATOM 1254 CG1 VAL A 86 17.094 -7.975 9.568 1.00 34.32 C ATOM 1255 CG2 VAL A 86 15.447 -6.092 9.435 1.00 32.42 C ATOM 0 H VAL A 86 16.426 -5.080 12.562 1.00 21.43 H new ATOM 0 HA VAL A 86 15.341 -7.672 11.682 1.00 21.31 H new ATOM 0 HB VAL A 86 17.419 -5.979 10.233 1.00 3.11 H new ATOM 0 HG11 VAL A 86 17.391 -7.765 8.541 1.00 34.32 H new ATOM 0 HG12 VAL A 86 17.950 -8.360 10.122 1.00 34.32 H new ATOM 0 HG13 VAL A 86 16.297 -8.718 9.570 1.00 34.32 H new ATOM 0 HG21 VAL A 86 15.767 -5.908 8.409 1.00 32.42 H new ATOM 0 HG22 VAL A 86 14.604 -6.783 9.434 1.00 32.42 H new ATOM 0 HG23 VAL A 86 15.144 -5.151 9.895 1.00 32.42 H new ATOM 1265 N VAL A 87 17.316 -8.883 12.624 1.00 45.22 N ATOM 1266 CA VAL A 87 18.381 -9.581 13.334 1.00 63.43 C ATOM 1267 C VAL A 87 19.481 -10.025 12.376 1.00 61.42 C ATOM 1268 O VAL A 87 19.205 -10.533 11.289 1.00 72.13 O ATOM 1269 CB VAL A 87 17.841 -10.813 14.084 1.00 22.23 C ATOM 1270 CG1 VAL A 87 18.973 -11.553 14.781 1.00 42.12 C ATOM 1271 CG2 VAL A 87 16.769 -10.401 15.082 1.00 43.01 C ATOM 0 H VAL A 87 16.565 -9.487 12.291 1.00 45.22 H new ATOM 0 HA VAL A 87 18.794 -8.877 14.056 1.00 63.43 H new ATOM 0 HB VAL A 87 17.390 -11.489 13.358 1.00 22.23 H new ATOM 0 HG11 VAL A 87 18.572 -12.420 15.306 1.00 42.12 H new ATOM 0 HG12 VAL A 87 19.703 -11.882 14.041 1.00 42.12 H new ATOM 0 HG13 VAL A 87 19.456 -10.888 15.497 1.00 42.12 H new ATOM 0 HG21 VAL A 87 16.398 -11.284 15.603 1.00 43.01 H new ATOM 0 HG22 VAL A 87 17.193 -9.704 15.805 1.00 43.01 H new ATOM 0 HG23 VAL A 87 15.946 -9.919 14.554 1.00 43.01 H new ATOM 1281 N PHE A 88 20.730 -9.831 12.787 1.00 72.23 N ATOM 1282 CA PHE A 88 21.873 -10.211 11.965 1.00 71.32 C ATOM 1283 C PHE A 88 22.853 -11.070 12.759 1.00 13.34 C ATOM 1284 O PHE A 88 22.961 -10.940 13.979 1.00 42.34 O ATOM 1285 CB PHE A 88 22.584 -8.964 11.434 1.00 33.53 C ATOM 1286 CG PHE A 88 24.064 -8.964 11.690 1.00 72.04 C ATOM 1287 CD1 PHE A 88 24.937 -9.544 10.783 1.00 53.52 C ATOM 1288 CD2 PHE A 88 24.582 -8.384 12.836 1.00 44.31 C ATOM 1289 CE1 PHE A 88 26.299 -9.545 11.016 1.00 71.22 C ATOM 1290 CE2 PHE A 88 25.944 -8.382 13.074 1.00 10.10 C ATOM 1291 CZ PHE A 88 26.803 -8.963 12.162 1.00 3.41 C ATOM 0 H PHE A 88 20.976 -9.413 13.684 1.00 72.23 H new ATOM 0 HA PHE A 88 21.504 -10.796 11.123 1.00 71.32 H new ATOM 0 HB2 PHE A 88 22.409 -8.885 10.361 1.00 33.53 H new ATOM 0 HB3 PHE A 88 22.143 -8.080 11.895 1.00 33.53 H new ATOM 0 HD1 PHE A 88 24.548 -10.000 9.884 1.00 53.52 H new ATOM 0 HD2 PHE A 88 23.914 -7.928 13.552 1.00 44.31 H new ATOM 0 HE1 PHE A 88 26.969 -10.001 10.302 1.00 71.22 H new ATOM 0 HE2 PHE A 88 26.335 -7.927 13.972 1.00 10.10 H new ATOM 0 HZ PHE A 88 27.867 -8.962 12.345 1.00 3.41 H new ATOM 1301 N SER A 89 23.564 -11.948 12.059 1.00 12.41 N ATOM 1302 CA SER A 89 24.532 -12.831 12.699 1.00 74.23 C ATOM 1303 C SER A 89 25.871 -12.789 11.969 1.00 72.12 C ATOM 1304 O SER A 89 25.922 -12.601 10.753 1.00 10.43 O ATOM 1305 CB SER A 89 24.001 -14.266 12.731 1.00 13.44 C ATOM 1306 OG SER A 89 23.528 -14.605 14.024 1.00 61.14 O ATOM 0 H SER A 89 23.488 -12.067 11.049 1.00 12.41 H new ATOM 0 HA SER A 89 24.684 -12.484 13.721 1.00 74.23 H new ATOM 0 HB2 SER A 89 23.195 -14.375 12.005 1.00 13.44 H new ATOM 0 HB3 SER A 89 24.791 -14.956 12.437 1.00 13.44 H new ATOM 0 HG SER A 89 24.154 -14.270 14.700 1.00 61.14 H new ATOM 1312 N ARG A 90 26.953 -12.966 12.720 1.00 13.11 N ATOM 1313 CA ARG A 90 28.293 -12.947 12.146 1.00 33.12 C ATOM 1314 C ARG A 90 29.047 -14.230 12.483 1.00 32.15 C ATOM 1315 O ARG A 90 29.958 -14.227 13.311 1.00 3.10 O ATOM 1316 CB ARG A 90 29.073 -11.735 12.658 1.00 11.21 C ATOM 1317 CG ARG A 90 30.164 -11.267 11.709 1.00 70.53 C ATOM 1318 CD ARG A 90 31.542 -11.387 12.341 1.00 34.22 C ATOM 1319 NE ARG A 90 31.986 -10.126 12.927 1.00 3.44 N ATOM 1320 CZ ARG A 90 32.300 -9.052 12.210 1.00 24.43 C ATOM 1321 NH1 ARG A 90 32.219 -9.088 10.887 1.00 14.35 N ATOM 1322 NH2 ARG A 90 32.697 -7.941 12.817 1.00 51.34 N ATOM 0 H ARG A 90 26.928 -13.124 13.727 1.00 13.11 H new ATOM 0 HA ARG A 90 28.196 -12.877 11.063 1.00 33.12 H new ATOM 0 HB2 ARG A 90 28.378 -10.914 12.832 1.00 11.21 H new ATOM 0 HB3 ARG A 90 29.522 -11.982 13.620 1.00 11.21 H new ATOM 0 HG2 ARG A 90 30.130 -11.858 10.794 1.00 70.53 H new ATOM 0 HG3 ARG A 90 29.981 -10.230 11.426 1.00 70.53 H new ATOM 0 HD2 ARG A 90 31.522 -12.158 13.112 1.00 34.22 H new ATOM 0 HD3 ARG A 90 32.260 -11.709 11.587 1.00 34.22 H new ATOM 0 HE ARG A 90 32.059 -10.066 13.943 1.00 3.44 H new ATOM 0 HH11 ARG A 90 31.915 -9.941 10.418 1.00 14.35 H new ATOM 0 HH12 ARG A 90 32.460 -8.263 10.339 1.00 14.35 H new ATOM 0 HH21 ARG A 90 32.761 -7.911 13.835 1.00 51.34 H new ATOM 0 HH22 ARG A 90 32.938 -7.117 12.266 1.00 51.34 H new ATOM 1336 N ASP A 91 28.660 -15.325 11.838 1.00 52.42 N ATOM 1337 CA ASP A 91 29.299 -16.615 12.069 1.00 42.25 C ATOM 1338 C ASP A 91 29.045 -17.100 13.492 1.00 24.14 C ATOM 1339 O ASP A 91 29.969 -17.512 14.193 1.00 43.33 O ATOM 1340 CB ASP A 91 30.804 -16.516 11.811 1.00 55.23 C ATOM 1341 CG ASP A 91 31.124 -15.774 10.528 1.00 15.30 C ATOM 1342 OD1 ASP A 91 30.358 -15.918 9.552 1.00 55.40 O ATOM 1343 OD2 ASP A 91 32.139 -15.048 10.500 1.00 24.35 O ATOM 0 H ASP A 91 27.907 -15.345 11.151 1.00 52.42 H new ATOM 0 HA ASP A 91 28.866 -17.337 11.376 1.00 42.25 H new ATOM 0 HB2 ASP A 91 31.281 -16.008 12.649 1.00 55.23 H new ATOM 0 HB3 ASP A 91 31.228 -17.519 11.763 1.00 55.23 H new ATOM 1348 N GLY A 92 27.786 -17.047 13.915 1.00 73.54 N ATOM 1349 CA GLY A 92 27.433 -17.483 15.253 1.00 21.42 C ATOM 1350 C GLY A 92 27.254 -16.323 16.212 1.00 21.44 C ATOM 1351 O GLY A 92 26.688 -16.484 17.294 1.00 61.12 O ATOM 0 H GLY A 92 27.004 -16.710 13.354 1.00 73.54 H new ATOM 0 HA2 GLY A 92 26.510 -18.062 15.212 1.00 21.42 H new ATOM 0 HA3 GLY A 92 28.210 -18.147 15.632 1.00 21.42 H new ATOM 1355 N VAL A 93 27.739 -15.151 15.817 1.00 2.53 N ATOM 1356 CA VAL A 93 27.630 -13.959 16.650 1.00 5.31 C ATOM 1357 C VAL A 93 26.194 -13.452 16.699 1.00 15.22 C ATOM 1358 O VAL A 93 25.455 -13.551 15.719 1.00 32.15 O ATOM 1359 CB VAL A 93 28.544 -12.830 16.137 1.00 41.04 C ATOM 1360 CG1 VAL A 93 28.397 -11.588 17.002 1.00 12.02 C ATOM 1361 CG2 VAL A 93 29.992 -13.294 16.097 1.00 4.22 C ATOM 0 H VAL A 93 28.211 -15.001 14.925 1.00 2.53 H new ATOM 0 HA VAL A 93 27.946 -14.245 17.653 1.00 5.31 H new ATOM 0 HB VAL A 93 28.240 -12.574 15.122 1.00 41.04 H new ATOM 0 HG11 VAL A 93 29.050 -10.802 16.624 1.00 12.02 H new ATOM 0 HG12 VAL A 93 27.363 -11.245 16.974 1.00 12.02 H new ATOM 0 HG13 VAL A 93 28.672 -11.826 18.030 1.00 12.02 H new ATOM 0 HG21 VAL A 93 30.624 -12.484 15.732 1.00 4.22 H new ATOM 0 HG22 VAL A 93 30.311 -13.579 17.100 1.00 4.22 H new ATOM 0 HG23 VAL A 93 30.081 -14.152 15.430 1.00 4.22 H new ATOM 1371 N VAL A 94 25.803 -12.907 17.847 1.00 31.12 N ATOM 1372 CA VAL A 94 24.454 -12.382 18.024 1.00 22.45 C ATOM 1373 C VAL A 94 24.472 -10.867 18.194 1.00 72.41 C ATOM 1374 O VAL A 94 24.979 -10.350 19.189 1.00 52.13 O ATOM 1375 CB VAL A 94 23.761 -13.016 19.245 1.00 23.42 C ATOM 1376 CG1 VAL A 94 22.402 -12.375 19.481 1.00 62.22 C ATOM 1377 CG2 VAL A 94 23.625 -14.520 19.059 1.00 63.12 C ATOM 0 H VAL A 94 26.401 -12.818 18.668 1.00 31.12 H new ATOM 0 HA VAL A 94 23.894 -12.637 17.124 1.00 22.45 H new ATOM 0 HB VAL A 94 24.378 -12.836 20.125 1.00 23.42 H new ATOM 0 HG11 VAL A 94 21.928 -12.836 20.347 1.00 62.22 H new ATOM 0 HG12 VAL A 94 22.530 -11.308 19.662 1.00 62.22 H new ATOM 0 HG13 VAL A 94 21.773 -12.521 18.603 1.00 62.22 H new ATOM 0 HG21 VAL A 94 23.133 -14.951 19.931 1.00 63.12 H new ATOM 0 HG22 VAL A 94 23.030 -14.724 18.169 1.00 63.12 H new ATOM 0 HG23 VAL A 94 24.614 -14.963 18.944 1.00 63.12 H new ATOM 1387 N MET A 95 23.914 -10.162 17.216 1.00 40.44 N ATOM 1388 CA MET A 95 23.864 -8.705 17.258 1.00 41.35 C ATOM 1389 C MET A 95 22.561 -8.188 16.656 1.00 43.14 C ATOM 1390 O MET A 95 21.917 -8.876 15.864 1.00 15.40 O ATOM 1391 CB MET A 95 25.057 -8.110 16.507 1.00 64.41 C ATOM 1392 CG MET A 95 25.282 -6.635 16.794 1.00 2.21 C ATOM 1393 SD MET A 95 25.732 -6.322 18.512 1.00 70.11 S ATOM 1394 CE MET A 95 27.244 -5.386 18.301 1.00 41.51 C ATOM 0 H MET A 95 23.490 -10.575 16.385 1.00 40.44 H new ATOM 0 HA MET A 95 23.910 -8.395 18.302 1.00 41.35 H new ATOM 0 HB2 MET A 95 25.957 -8.665 16.773 1.00 64.41 H new ATOM 0 HB3 MET A 95 24.905 -8.244 15.436 1.00 64.41 H new ATOM 0 HG2 MET A 95 26.070 -6.258 16.142 1.00 2.21 H new ATOM 0 HG3 MET A 95 24.376 -6.080 16.553 1.00 2.21 H new ATOM 0 HE1 MET A 95 27.645 -5.118 19.278 1.00 41.51 H new ATOM 0 HE2 MET A 95 27.974 -5.990 17.763 1.00 41.51 H new ATOM 0 HE3 MET A 95 27.034 -4.479 17.733 1.00 41.51 H new ATOM 1404 N SER A 96 22.180 -6.973 17.036 1.00 13.13 N ATOM 1405 CA SER A 96 20.951 -6.366 16.537 1.00 44.00 C ATOM 1406 C SER A 96 21.257 -5.113 15.721 1.00 30.52 C ATOM 1407 O SER A 96 22.015 -4.247 16.155 1.00 44.22 O ATOM 1408 CB SER A 96 20.021 -6.016 17.700 1.00 72.51 C ATOM 1409 OG SER A 96 20.645 -5.118 18.601 1.00 63.14 O ATOM 0 H SER A 96 22.704 -6.389 17.688 1.00 13.13 H new ATOM 0 HA SER A 96 20.455 -7.089 15.889 1.00 44.00 H new ATOM 0 HB2 SER A 96 19.104 -5.570 17.315 1.00 72.51 H new ATOM 0 HB3 SER A 96 19.736 -6.926 18.228 1.00 72.51 H new ATOM 0 HG SER A 96 20.029 -4.909 19.334 1.00 63.14 H new ATOM 1415 N ALA A 97 20.660 -5.026 14.537 1.00 64.22 N ATOM 1416 CA ALA A 97 20.866 -3.880 13.660 1.00 3.03 C ATOM 1417 C ALA A 97 19.570 -3.482 12.964 1.00 54.42 C ATOM 1418 O ALA A 97 18.798 -4.337 12.529 1.00 55.22 O ATOM 1419 CB ALA A 97 21.946 -4.188 12.634 1.00 42.23 C ATOM 0 H ALA A 97 20.030 -5.735 14.163 1.00 64.22 H new ATOM 0 HA ALA A 97 21.192 -3.039 14.272 1.00 3.03 H new ATOM 0 HB1 ALA A 97 22.089 -3.323 11.986 1.00 42.23 H new ATOM 0 HB2 ALA A 97 22.880 -4.416 13.147 1.00 42.23 H new ATOM 0 HB3 ALA A 97 21.643 -5.046 12.033 1.00 42.23 H new ATOM 1425 N THR A 98 19.335 -2.177 12.861 1.00 33.03 N ATOM 1426 CA THR A 98 18.131 -1.665 12.219 1.00 35.34 C ATOM 1427 C THR A 98 18.421 -1.199 10.797 1.00 21.44 C ATOM 1428 O THR A 98 19.390 -0.479 10.556 1.00 22.03 O ATOM 1429 CB THR A 98 17.523 -0.496 13.017 1.00 54.25 C ATOM 1430 OG1 THR A 98 17.326 -0.883 14.381 1.00 2.21 O ATOM 1431 CG2 THR A 98 16.197 -0.060 12.412 1.00 75.13 C ATOM 0 H THR A 98 19.963 -1.456 13.214 1.00 33.03 H new ATOM 0 HA THR A 98 17.415 -2.486 12.189 1.00 35.34 H new ATOM 0 HB THR A 98 18.217 0.343 12.975 1.00 54.25 H new ATOM 0 HG1 THR A 98 16.941 -0.134 14.881 1.00 2.21 H new ATOM 0 HG21 THR A 98 15.787 0.766 12.992 1.00 75.13 H new ATOM 0 HG22 THR A 98 16.355 0.262 11.383 1.00 75.13 H new ATOM 0 HG23 THR A 98 15.498 -0.896 12.427 1.00 75.13 H new ATOM 1439 N ILE A 99 17.576 -1.614 9.860 1.00 61.24 N ATOM 1440 CA ILE A 99 17.742 -1.237 8.461 1.00 23.04 C ATOM 1441 C ILE A 99 16.734 -0.167 8.057 1.00 2.43 C ATOM 1442 O ILE A 99 15.528 -0.333 8.242 1.00 44.32 O ATOM 1443 CB ILE A 99 17.586 -2.452 7.528 1.00 31.12 C ATOM 1444 CG1 ILE A 99 16.180 -3.042 7.655 1.00 70.42 C ATOM 1445 CG2 ILE A 99 18.638 -3.504 7.847 1.00 44.53 C ATOM 1446 CD1 ILE A 99 15.311 -2.799 6.441 1.00 12.31 C ATOM 0 H ILE A 99 16.770 -2.211 10.043 1.00 61.24 H new ATOM 0 HA ILE A 99 18.752 -0.839 8.359 1.00 23.04 H new ATOM 0 HB ILE A 99 17.731 -2.122 6.499 1.00 31.12 H new ATOM 0 HG12 ILE A 99 16.259 -4.116 7.826 1.00 70.42 H new ATOM 0 HG13 ILE A 99 15.693 -2.615 8.532 1.00 70.42 H new ATOM 0 HG21 ILE A 99 18.514 -4.356 7.179 1.00 44.53 H new ATOM 0 HG22 ILE A 99 19.632 -3.078 7.711 1.00 44.53 H new ATOM 0 HG23 ILE A 99 18.522 -3.833 8.880 1.00 44.53 H new ATOM 0 HD11 ILE A 99 14.329 -3.245 6.601 1.00 12.31 H new ATOM 0 HD12 ILE A 99 15.201 -1.726 6.281 1.00 12.31 H new ATOM 0 HD13 ILE A 99 15.776 -3.251 5.565 1.00 12.31 H new ATOM 1458 N VAL A 100 17.236 0.932 7.503 1.00 43.31 N ATOM 1459 CA VAL A 100 16.380 2.030 7.069 1.00 32.51 C ATOM 1460 C VAL A 100 16.180 2.006 5.558 1.00 50.41 C ATOM 1461 O VAL A 100 17.031 2.474 4.801 1.00 13.40 O ATOM 1462 CB VAL A 100 16.966 3.394 7.478 1.00 53.24 C ATOM 1463 CG1 VAL A 100 16.786 3.628 8.970 1.00 72.42 C ATOM 1464 CG2 VAL A 100 18.434 3.481 7.089 1.00 30.22 C ATOM 0 H VAL A 100 18.232 1.086 7.344 1.00 43.31 H new ATOM 0 HA VAL A 100 15.417 1.895 7.562 1.00 32.51 H new ATOM 0 HB VAL A 100 16.426 4.176 6.945 1.00 53.24 H new ATOM 0 HG11 VAL A 100 17.206 4.597 9.240 1.00 72.42 H new ATOM 0 HG12 VAL A 100 15.724 3.612 9.215 1.00 72.42 H new ATOM 0 HG13 VAL A 100 17.298 2.843 9.526 1.00 72.42 H new ATOM 0 HG21 VAL A 100 18.832 4.451 7.385 1.00 30.22 H new ATOM 0 HG22 VAL A 100 18.991 2.691 7.593 1.00 30.22 H new ATOM 0 HG23 VAL A 100 18.532 3.363 6.010 1.00 30.22 H new ATOM 1474 N VAL A 101 15.049 1.459 5.124 1.00 20.33 N ATOM 1475 CA VAL A 101 14.736 1.376 3.703 1.00 73.42 C ATOM 1476 C VAL A 101 13.915 2.578 3.250 1.00 44.14 C ATOM 1477 O VAL A 101 12.759 2.736 3.639 1.00 41.23 O ATOM 1478 CB VAL A 101 13.961 0.086 3.373 1.00 32.13 C ATOM 1479 CG1 VAL A 101 13.591 0.047 1.898 1.00 22.13 C ATOM 1480 CG2 VAL A 101 14.777 -1.139 3.759 1.00 14.35 C ATOM 0 H VAL A 101 14.334 1.067 5.737 1.00 20.33 H new ATOM 0 HA VAL A 101 15.687 1.367 3.170 1.00 73.42 H new ATOM 0 HB VAL A 101 13.039 0.078 3.954 1.00 32.13 H new ATOM 0 HG11 VAL A 101 13.044 -0.871 1.684 1.00 22.13 H new ATOM 0 HG12 VAL A 101 12.965 0.906 1.657 1.00 22.13 H new ATOM 0 HG13 VAL A 101 14.498 0.078 1.294 1.00 22.13 H new ATOM 0 HG21 VAL A 101 14.215 -2.041 3.519 1.00 14.35 H new ATOM 0 HG22 VAL A 101 15.716 -1.139 3.206 1.00 14.35 H new ATOM 0 HG23 VAL A 101 14.985 -1.115 4.829 1.00 14.35 H new ATOM 1490 N GLY A 102 14.523 3.424 2.423 1.00 14.52 N ATOM 1491 CA GLY A 102 13.833 4.602 1.930 1.00 45.52 C ATOM 1492 C GLY A 102 13.459 4.484 0.466 1.00 40.43 C ATOM 1493 O GLY A 102 12.324 4.769 0.084 1.00 22.24 O ATOM 0 H GLY A 102 15.480 3.315 2.086 1.00 14.52 H new ATOM 0 HA2 GLY A 102 12.931 4.765 2.520 1.00 45.52 H new ATOM 0 HA3 GLY A 102 14.468 5.477 2.070 1.00 45.52 H new