USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= -0.0529 X(o=0.44,f=0.44) USER MOD Set 1.2: A 82 TYR OH : rot -93:sc= 0.493 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -35:sc= 0.368 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 55 SER OG : rot 47:sc= 1.19 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.5! USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0655 USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= -0.85 (180deg=-2.97!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.14) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.808 USER MOD Single : A 77 ASN : amide:sc= -0.51 K(o=-0.51,f=-4.2!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -6.839 5.253 -14.838 1.00 44.23 N ATOM 115 CA ALA A 9 -7.676 6.418 -15.098 1.00 3.04 C ATOM 116 C ALA A 9 -8.275 6.363 -16.499 1.00 22.52 C ATOM 117 O ALA A 9 -8.571 7.396 -17.099 1.00 22.11 O ATOM 118 CB ALA A 9 -6.872 7.697 -14.916 1.00 23.25 C ATOM 0 HA ALA A 9 -8.496 6.412 -14.380 1.00 3.04 H new ATOM 0 HB1 ALA A 9 -7.510 8.559 -15.113 1.00 23.25 H new ATOM 0 HB2 ALA A 9 -6.498 7.749 -13.894 1.00 23.25 H new ATOM 0 HB3 ALA A 9 -6.032 7.701 -15.611 1.00 23.25 H new ATOM 124 N ARG A 10 -8.450 5.150 -17.015 1.00 11.42 N ATOM 125 CA ARG A 10 -9.012 4.961 -18.347 1.00 32.14 C ATOM 126 C ARG A 10 -10.474 4.532 -18.264 1.00 12.13 C ATOM 127 O ARG A 10 -11.348 5.151 -18.870 1.00 54.12 O ATOM 128 CB ARG A 10 -8.206 3.916 -19.120 1.00 30.44 C ATOM 129 CG ARG A 10 -8.603 3.799 -20.582 1.00 53.41 C ATOM 130 CD ARG A 10 -7.388 3.614 -21.477 1.00 23.34 C ATOM 131 NE ARG A 10 -7.752 3.106 -22.797 1.00 1.43 N ATOM 132 CZ ARG A 10 -8.041 1.833 -23.041 1.00 23.03 C ATOM 133 NH1 ARG A 10 -8.008 0.943 -22.059 1.00 34.42 N ATOM 134 NH2 ARG A 10 -8.363 1.448 -24.269 1.00 13.01 N ATOM 0 H ARG A 10 -8.211 4.285 -16.531 1.00 11.42 H new ATOM 0 HA ARG A 10 -8.960 5.913 -18.875 1.00 32.14 H new ATOM 0 HB2 ARG A 10 -7.147 4.168 -19.059 1.00 30.44 H new ATOM 0 HB3 ARG A 10 -8.331 2.945 -18.640 1.00 30.44 H new ATOM 0 HG2 ARG A 10 -9.282 2.956 -20.709 1.00 53.41 H new ATOM 0 HG3 ARG A 10 -9.146 4.694 -20.885 1.00 53.41 H new ATOM 0 HD2 ARG A 10 -6.870 4.567 -21.586 1.00 23.34 H new ATOM 0 HD3 ARG A 10 -6.690 2.924 -21.003 1.00 23.34 H new ATOM 0 HE ARG A 10 -7.786 3.765 -23.574 1.00 1.43 H new ATOM 0 HH11 ARG A 10 -7.760 1.235 -21.114 1.00 34.42 H new ATOM 0 HH12 ARG A 10 -8.230 -0.034 -22.249 1.00 34.42 H new ATOM 0 HH21 ARG A 10 -8.389 2.130 -25.027 1.00 13.01 H new ATOM 0 HH22 ARG A 10 -8.585 0.470 -24.455 1.00 13.01 H new ATOM 148 N SER A 11 -10.732 3.468 -17.509 1.00 43.43 N ATOM 149 CA SER A 11 -12.087 2.954 -17.350 1.00 61.15 C ATOM 150 C SER A 11 -12.641 3.298 -15.971 1.00 44.42 C ATOM 151 O SER A 11 -11.890 3.447 -15.008 1.00 20.31 O ATOM 152 CB SER A 11 -12.107 1.438 -17.557 1.00 10.14 C ATOM 153 OG SER A 11 -12.763 1.096 -18.765 1.00 54.41 O ATOM 0 H SER A 11 -10.020 2.946 -16.998 1.00 43.43 H new ATOM 0 HA SER A 11 -12.719 3.425 -18.103 1.00 61.15 H new ATOM 0 HB2 SER A 11 -11.086 1.057 -17.574 1.00 10.14 H new ATOM 0 HB3 SER A 11 -12.612 0.960 -16.718 1.00 10.14 H new ATOM 0 HG SER A 11 -12.761 0.122 -18.874 1.00 54.41 H new ATOM 159 N GLY A 12 -13.961 3.424 -15.885 1.00 55.31 N ATOM 160 CA GLY A 12 -14.595 3.751 -14.621 1.00 23.43 C ATOM 161 C GLY A 12 -15.132 5.167 -14.590 1.00 54.41 C ATOM 162 O GLY A 12 -16.198 5.447 -15.138 1.00 62.54 O ATOM 0 H GLY A 12 -14.603 3.305 -16.668 1.00 55.31 H new ATOM 0 HA2 GLY A 12 -15.411 3.052 -14.436 1.00 23.43 H new ATOM 0 HA3 GLY A 12 -13.875 3.621 -13.813 1.00 23.43 H new ATOM 166 N GLY A 13 -14.394 6.066 -13.945 1.00 61.50 N ATOM 167 CA GLY A 13 -14.820 7.450 -13.855 1.00 71.23 C ATOM 168 C GLY A 13 -13.663 8.398 -13.614 1.00 4.34 C ATOM 169 O GLY A 13 -12.504 7.984 -13.594 1.00 65.40 O ATOM 0 H GLY A 13 -13.508 5.860 -13.483 1.00 61.50 H new ATOM 0 HA2 GLY A 13 -15.330 7.731 -14.777 1.00 71.23 H new ATOM 0 HA3 GLY A 13 -15.544 7.552 -13.047 1.00 71.23 H new ATOM 173 N LYS A 14 -13.976 9.677 -13.430 1.00 64.54 N ATOM 174 CA LYS A 14 -12.954 10.688 -13.189 1.00 45.12 C ATOM 175 C LYS A 14 -13.456 11.748 -12.214 1.00 73.20 C ATOM 176 O LYS A 14 -14.628 12.125 -12.241 1.00 21.30 O ATOM 177 CB LYS A 14 -12.539 11.348 -14.506 1.00 64.43 C ATOM 178 CG LYS A 14 -11.172 10.908 -15.003 1.00 10.14 C ATOM 179 CD LYS A 14 -11.026 11.126 -16.499 1.00 44.32 C ATOM 180 CE LYS A 14 -9.983 12.189 -16.808 1.00 45.40 C ATOM 181 NZ LYS A 14 -10.559 13.562 -16.762 1.00 23.34 N ATOM 0 H LYS A 14 -14.930 10.037 -13.443 1.00 64.54 H new ATOM 0 HA LYS A 14 -12.088 10.194 -12.748 1.00 45.12 H new ATOM 0 HB2 LYS A 14 -13.284 11.119 -15.268 1.00 64.43 H new ATOM 0 HB3 LYS A 14 -12.538 12.430 -14.376 1.00 64.43 H new ATOM 0 HG2 LYS A 14 -10.396 11.463 -14.476 1.00 10.14 H new ATOM 0 HG3 LYS A 14 -11.022 9.853 -14.772 1.00 10.14 H new ATOM 0 HD2 LYS A 14 -10.745 10.188 -16.979 1.00 44.32 H new ATOM 0 HD3 LYS A 14 -11.986 11.424 -16.920 1.00 44.32 H new ATOM 0 HE2 LYS A 14 -9.165 12.114 -16.091 1.00 45.40 H new ATOM 0 HE3 LYS A 14 -9.559 12.006 -17.795 1.00 45.40 H new ATOM 0 HZ1 LYS A 14 -9.816 14.257 -16.978 1.00 23.34 H new ATOM 0 HZ2 LYS A 14 -11.323 13.642 -17.463 1.00 23.34 H new ATOM 0 HZ3 LYS A 14 -10.941 13.747 -15.812 1.00 23.34 H new ATOM 195 N VAL A 15 -12.562 12.226 -11.354 1.00 54.12 N ATOM 196 CA VAL A 15 -12.915 13.245 -10.372 1.00 60.53 C ATOM 197 C VAL A 15 -11.705 14.097 -10.006 1.00 53.23 C ATOM 198 O VAL A 15 -10.590 13.591 -9.879 1.00 42.02 O ATOM 199 CB VAL A 15 -13.491 12.613 -9.091 1.00 2.22 C ATOM 200 CG1 VAL A 15 -12.482 11.662 -8.464 1.00 55.22 C ATOM 201 CG2 VAL A 15 -13.902 13.694 -8.103 1.00 4.42 C ATOM 0 H VAL A 15 -11.588 11.924 -11.317 1.00 54.12 H new ATOM 0 HA VAL A 15 -13.676 13.877 -10.830 1.00 60.53 H new ATOM 0 HB VAL A 15 -14.379 12.039 -9.357 1.00 2.22 H new ATOM 0 HG11 VAL A 15 -12.907 11.225 -7.560 1.00 55.22 H new ATOM 0 HG12 VAL A 15 -12.241 10.869 -9.172 1.00 55.22 H new ATOM 0 HG13 VAL A 15 -11.574 12.210 -8.210 1.00 55.22 H new ATOM 0 HG21 VAL A 15 -14.307 13.230 -7.204 1.00 4.42 H new ATOM 0 HG22 VAL A 15 -13.032 14.297 -7.840 1.00 4.42 H new ATOM 0 HG23 VAL A 15 -14.662 14.331 -8.556 1.00 4.42 H new ATOM 211 N THR A 16 -11.933 15.396 -9.837 1.00 41.12 N ATOM 212 CA THR A 16 -10.862 16.320 -9.486 1.00 51.33 C ATOM 213 C THR A 16 -10.950 16.733 -8.021 1.00 62.43 C ATOM 214 O THR A 16 -12.034 17.006 -7.507 1.00 14.02 O ATOM 215 CB THR A 16 -10.900 17.584 -10.367 1.00 24.25 C ATOM 216 OG1 THR A 16 -9.794 18.436 -10.047 1.00 51.24 O ATOM 217 CG2 THR A 16 -12.204 18.342 -10.170 1.00 70.42 C ATOM 0 H THR A 16 -12.850 15.832 -9.938 1.00 41.12 H new ATOM 0 HA THR A 16 -9.922 15.795 -9.657 1.00 51.33 H new ATOM 0 HB THR A 16 -10.832 17.276 -11.410 1.00 24.25 H new ATOM 0 HG1 THR A 16 -9.823 19.236 -10.612 1.00 51.24 H new ATOM 0 HG21 THR A 16 -12.208 19.230 -10.802 1.00 70.42 H new ATOM 0 HG22 THR A 16 -13.042 17.700 -10.441 1.00 70.42 H new ATOM 0 HG23 THR A 16 -12.298 18.640 -9.126 1.00 70.42 H new ATOM 225 N PHE A 17 -9.801 16.776 -7.354 1.00 14.20 N ATOM 226 CA PHE A 17 -9.749 17.155 -5.947 1.00 2.31 C ATOM 227 C PHE A 17 -8.727 18.266 -5.721 1.00 21.34 C ATOM 228 O PHE A 17 -7.652 18.266 -6.321 1.00 2.14 O ATOM 229 CB PHE A 17 -9.400 15.942 -5.083 1.00 20.15 C ATOM 230 CG PHE A 17 -10.279 15.794 -3.874 1.00 13.32 C ATOM 231 CD1 PHE A 17 -9.733 15.779 -2.601 1.00 3.33 C ATOM 232 CD2 PHE A 17 -11.652 15.670 -4.011 1.00 35.12 C ATOM 233 CE1 PHE A 17 -10.539 15.644 -1.486 1.00 71.03 C ATOM 234 CE2 PHE A 17 -12.464 15.535 -2.900 1.00 62.31 C ATOM 235 CZ PHE A 17 -11.906 15.520 -1.636 1.00 54.54 C ATOM 0 H PHE A 17 -8.894 16.553 -7.765 1.00 14.20 H new ATOM 0 HA PHE A 17 -10.733 17.526 -5.659 1.00 2.31 H new ATOM 0 HB2 PHE A 17 -9.476 15.040 -5.690 1.00 20.15 H new ATOM 0 HB3 PHE A 17 -8.362 16.023 -4.760 1.00 20.15 H new ATOM 0 HD1 PHE A 17 -8.664 15.874 -2.478 1.00 3.33 H new ATOM 0 HD2 PHE A 17 -12.093 15.679 -4.997 1.00 35.12 H new ATOM 0 HE1 PHE A 17 -10.100 15.636 -0.499 1.00 71.03 H new ATOM 0 HE2 PHE A 17 -13.533 15.441 -3.020 1.00 62.31 H new ATOM 0 HZ PHE A 17 -12.538 15.411 -0.767 1.00 54.54 H new ATOM 245 N ARG A 18 -9.071 19.210 -4.851 1.00 51.35 N ATOM 246 CA ARG A 18 -8.185 20.328 -4.547 1.00 35.42 C ATOM 247 C ARG A 18 -7.641 20.218 -3.126 1.00 31.14 C ATOM 248 O ARG A 18 -8.395 20.288 -2.155 1.00 31.34 O ATOM 249 CB ARG A 18 -8.926 21.655 -4.720 1.00 31.13 C ATOM 250 CG ARG A 18 -8.887 22.193 -6.140 1.00 53.55 C ATOM 251 CD ARG A 18 -10.065 21.689 -6.960 1.00 23.21 C ATOM 252 NE ARG A 18 -10.625 22.733 -7.814 1.00 22.22 N ATOM 253 CZ ARG A 18 -10.020 23.195 -8.902 1.00 61.15 C ATOM 254 NH1 ARG A 18 -8.842 22.707 -9.268 1.00 14.50 N ATOM 255 NH2 ARG A 18 -10.593 24.146 -9.628 1.00 54.33 N ATOM 0 H ARG A 18 -9.956 19.223 -4.344 1.00 51.35 H new ATOM 0 HA ARG A 18 -7.346 20.295 -5.243 1.00 35.42 H new ATOM 0 HB2 ARG A 18 -9.965 21.523 -4.419 1.00 31.13 H new ATOM 0 HB3 ARG A 18 -8.491 22.395 -4.048 1.00 31.13 H new ATOM 0 HG2 ARG A 18 -8.898 23.283 -6.118 1.00 53.55 H new ATOM 0 HG3 ARG A 18 -7.955 21.893 -6.618 1.00 53.55 H new ATOM 0 HD2 ARG A 18 -9.744 20.850 -7.577 1.00 23.21 H new ATOM 0 HD3 ARG A 18 -10.839 21.315 -6.290 1.00 23.21 H new ATOM 0 HE ARG A 18 -11.530 23.129 -7.561 1.00 22.22 H new ATOM 0 HH11 ARG A 18 -8.399 21.975 -8.713 1.00 14.50 H new ATOM 0 HH12 ARG A 18 -8.380 23.064 -10.104 1.00 14.50 H new ATOM 0 HH21 ARG A 18 -11.499 24.523 -9.351 1.00 54.33 H new ATOM 0 HH22 ARG A 18 -10.127 24.500 -10.464 1.00 54.33 H new ATOM 269 N ILE A 19 -6.328 20.046 -3.012 1.00 75.40 N ATOM 270 CA ILE A 19 -5.684 19.927 -1.710 1.00 61.01 C ATOM 271 C ILE A 19 -5.006 21.233 -1.311 1.00 14.50 C ATOM 272 O ILE A 19 -4.081 21.694 -1.980 1.00 25.32 O ATOM 273 CB ILE A 19 -4.639 18.796 -1.700 1.00 63.14 C ATOM 274 CG1 ILE A 19 -3.902 18.764 -0.360 1.00 3.41 C ATOM 275 CG2 ILE A 19 -3.655 18.974 -2.848 1.00 34.44 C ATOM 276 CD1 ILE A 19 -2.895 17.641 -0.250 1.00 32.41 C ATOM 0 H ILE A 19 -5.690 19.986 -3.805 1.00 75.40 H new ATOM 0 HA ILE A 19 -6.468 19.692 -0.990 1.00 61.01 H new ATOM 0 HB ILE A 19 -5.154 17.845 -1.832 1.00 63.14 H new ATOM 0 HG12 ILE A 19 -3.390 19.715 -0.213 1.00 3.41 H new ATOM 0 HG13 ILE A 19 -4.631 18.667 0.444 1.00 3.41 H new ATOM 0 HG21 ILE A 19 -2.922 18.167 -2.828 1.00 34.44 H new ATOM 0 HG22 ILE A 19 -4.193 18.952 -3.795 1.00 34.44 H new ATOM 0 HG23 ILE A 19 -3.144 19.931 -2.744 1.00 34.44 H new ATOM 0 HD11 ILE A 19 -2.411 17.680 0.726 1.00 32.41 H new ATOM 0 HD12 ILE A 19 -3.404 16.684 -0.364 1.00 32.41 H new ATOM 0 HD13 ILE A 19 -2.143 17.748 -1.032 1.00 32.41 H new ATOM 288 N ILE A 20 -5.473 21.825 -0.216 1.00 43.04 N ATOM 289 CA ILE A 20 -4.910 23.077 0.273 1.00 3.15 C ATOM 290 C ILE A 20 -4.285 22.896 1.653 1.00 42.43 C ATOM 291 O ILE A 20 -4.981 22.622 2.631 1.00 52.11 O ATOM 292 CB ILE A 20 -5.978 24.184 0.347 1.00 31.04 C ATOM 293 CG1 ILE A 20 -6.590 24.425 -1.034 1.00 51.30 C ATOM 294 CG2 ILE A 20 -5.374 25.468 0.897 1.00 63.45 C ATOM 295 CD1 ILE A 20 -7.749 23.506 -1.350 1.00 52.33 C ATOM 0 H ILE A 20 -6.239 21.458 0.348 1.00 43.04 H new ATOM 0 HA ILE A 20 -4.139 23.375 -0.437 1.00 3.15 H new ATOM 0 HB ILE A 20 -6.769 23.860 1.023 1.00 31.04 H new ATOM 0 HG12 ILE A 20 -6.929 25.459 -1.097 1.00 51.30 H new ATOM 0 HG13 ILE A 20 -5.818 24.296 -1.792 1.00 51.30 H new ATOM 0 HG21 ILE A 20 -6.142 26.241 0.943 1.00 63.45 H new ATOM 0 HG22 ILE A 20 -4.982 25.286 1.898 1.00 63.45 H new ATOM 0 HG23 ILE A 20 -4.565 25.798 0.245 1.00 63.45 H new ATOM 0 HD11 ILE A 20 -8.133 23.734 -2.344 1.00 52.33 H new ATOM 0 HD12 ILE A 20 -7.411 22.470 -1.320 1.00 52.33 H new ATOM 0 HD13 ILE A 20 -8.540 23.651 -0.614 1.00 52.33 H new ATOM 307 N LEU A 21 -2.968 23.054 1.724 1.00 23.53 N ATOM 308 CA LEU A 21 -2.247 22.910 2.985 1.00 74.22 C ATOM 309 C LEU A 21 -1.971 24.272 3.612 1.00 2.23 C ATOM 310 O LEU A 21 -1.789 25.267 2.909 1.00 14.03 O ATOM 311 CB LEU A 21 -0.932 22.162 2.761 1.00 41.12 C ATOM 312 CG LEU A 21 -0.714 20.916 3.619 1.00 25.23 C ATOM 313 CD1 LEU A 21 -0.971 21.226 5.086 1.00 42.03 C ATOM 314 CD2 LEU A 21 -1.609 19.780 3.148 1.00 72.44 C ATOM 0 H LEU A 21 -2.377 23.282 0.924 1.00 23.53 H new ATOM 0 HA LEU A 21 -2.872 22.336 3.669 1.00 74.22 H new ATOM 0 HB2 LEU A 21 -0.877 21.870 1.712 1.00 41.12 H new ATOM 0 HB3 LEU A 21 -0.109 22.853 2.943 1.00 41.12 H new ATOM 0 HG LEU A 21 0.324 20.602 3.511 1.00 25.23 H new ATOM 0 HD11 LEU A 21 -0.811 20.327 5.681 1.00 42.03 H new ATOM 0 HD12 LEU A 21 -0.288 22.008 5.418 1.00 42.03 H new ATOM 0 HD13 LEU A 21 -1.999 21.566 5.211 1.00 42.03 H new ATOM 0 HD21 LEU A 21 -1.440 18.901 3.771 1.00 72.44 H new ATOM 0 HD22 LEU A 21 -2.653 20.084 3.225 1.00 72.44 H new ATOM 0 HD23 LEU A 21 -1.376 19.540 2.111 1.00 72.44 H new ATOM 326 N THR A 22 -1.938 24.311 4.941 1.00 65.52 N ATOM 327 CA THR A 22 -1.682 25.550 5.664 1.00 62.05 C ATOM 328 C THR A 22 -0.188 25.764 5.877 1.00 64.22 C ATOM 329 O THR A 22 0.238 26.822 6.339 1.00 11.33 O ATOM 330 CB THR A 22 -2.391 25.559 7.031 1.00 5.41 C ATOM 331 OG1 THR A 22 -2.307 26.863 7.617 1.00 1.13 O ATOM 332 CG2 THR A 22 -1.770 24.535 7.969 1.00 0.23 C ATOM 0 H THR A 22 -2.086 23.497 5.538 1.00 65.52 H new ATOM 0 HA THR A 22 -2.078 26.361 5.052 1.00 62.05 H new ATOM 0 HB THR A 22 -3.438 25.298 6.875 1.00 5.41 H new ATOM 0 HG1 THR A 22 -1.445 27.270 7.388 1.00 1.13 H new ATOM 0 HG21 THR A 22 -2.287 24.560 8.928 1.00 0.23 H new ATOM 0 HG22 THR A 22 -1.861 23.540 7.533 1.00 0.23 H new ATOM 0 HG23 THR A 22 -0.716 24.771 8.119 1.00 0.23 H new ATOM 340 N SER A 23 0.605 24.752 5.536 1.00 12.43 N ATOM 341 CA SER A 23 2.052 24.829 5.694 1.00 45.13 C ATOM 342 C SER A 23 2.727 25.148 4.363 1.00 4.22 C ATOM 343 O SER A 23 3.891 25.547 4.326 1.00 71.22 O ATOM 344 CB SER A 23 2.596 23.512 6.252 1.00 45.54 C ATOM 345 OG SER A 23 3.874 23.220 5.714 1.00 65.02 O ATOM 0 H SER A 23 0.269 23.870 5.149 1.00 12.43 H new ATOM 0 HA SER A 23 2.274 25.632 6.396 1.00 45.13 H new ATOM 0 HB2 SER A 23 2.660 23.573 7.338 1.00 45.54 H new ATOM 0 HB3 SER A 23 1.906 22.702 6.018 1.00 45.54 H new ATOM 0 HG SER A 23 4.201 22.375 6.087 1.00 65.02 H new ATOM 351 N GLU A 24 1.987 24.969 3.273 1.00 4.44 N ATOM 352 CA GLU A 24 2.514 25.237 1.941 1.00 44.35 C ATOM 353 C GLU A 24 2.038 26.594 1.430 1.00 42.22 C ATOM 354 O GLU A 24 1.406 26.686 0.378 1.00 51.25 O ATOM 355 CB GLU A 24 2.088 24.136 0.968 1.00 34.31 C ATOM 356 CG GLU A 24 3.085 23.893 -0.153 1.00 15.44 C ATOM 357 CD GLU A 24 4.474 23.571 0.362 1.00 0.40 C ATOM 358 OE1 GLU A 24 4.646 22.493 0.968 1.00 64.12 O ATOM 359 OE2 GLU A 24 5.388 24.397 0.160 1.00 45.24 O ATOM 0 H GLU A 24 1.022 24.640 3.287 1.00 4.44 H new ATOM 0 HA GLU A 24 3.602 25.253 2.006 1.00 44.35 H new ATOM 0 HB2 GLU A 24 1.945 23.209 1.523 1.00 34.31 H new ATOM 0 HB3 GLU A 24 1.124 24.400 0.534 1.00 34.31 H new ATOM 0 HG2 GLU A 24 2.733 23.071 -0.776 1.00 15.44 H new ATOM 0 HG3 GLU A 24 3.133 24.777 -0.789 1.00 15.44 H new ATOM 366 N ARG A 25 2.346 27.645 2.183 1.00 23.33 N ATOM 367 CA ARG A 25 1.949 28.996 1.809 1.00 52.52 C ATOM 368 C ARG A 25 2.633 29.425 0.514 1.00 2.42 C ATOM 369 O ARG A 25 2.228 30.399 -0.121 1.00 72.31 O ATOM 370 CB ARG A 25 2.291 29.980 2.929 1.00 14.42 C ATOM 371 CG ARG A 25 1.387 31.202 2.963 1.00 5.51 C ATOM 372 CD ARG A 25 2.047 32.362 3.693 1.00 13.20 C ATOM 373 NE ARG A 25 1.400 33.637 3.392 1.00 30.34 N ATOM 374 CZ ARG A 25 1.568 34.295 2.251 1.00 70.22 C ATOM 375 NH1 ARG A 25 2.357 33.801 1.307 1.00 24.11 N ATOM 376 NH2 ARG A 25 0.945 35.449 2.051 1.00 0.33 N ATOM 0 H ARG A 25 2.870 27.586 3.056 1.00 23.33 H new ATOM 0 HA ARG A 25 0.871 28.999 1.649 1.00 52.52 H new ATOM 0 HB2 ARG A 25 2.226 29.464 3.887 1.00 14.42 H new ATOM 0 HB3 ARG A 25 3.324 30.306 2.812 1.00 14.42 H new ATOM 0 HG2 ARG A 25 1.142 31.503 1.945 1.00 5.51 H new ATOM 0 HG3 ARG A 25 0.448 30.948 3.455 1.00 5.51 H new ATOM 0 HD2 ARG A 25 2.011 32.182 4.767 1.00 13.20 H new ATOM 0 HD3 ARG A 25 3.099 32.415 3.414 1.00 13.20 H new ATOM 0 HE ARG A 25 0.786 34.044 4.097 1.00 30.34 H new ATOM 0 HH11 ARG A 25 2.837 32.913 1.456 1.00 24.11 H new ATOM 0 HH12 ARG A 25 2.484 34.309 0.431 1.00 24.11 H new ATOM 0 HH21 ARG A 25 0.336 35.832 2.774 1.00 0.33 H new ATOM 0 HH22 ARG A 25 1.075 35.953 1.174 1.00 0.33 H new ATOM 390 N SER A 26 3.673 28.692 0.130 1.00 43.52 N ATOM 391 CA SER A 26 4.417 28.999 -1.086 1.00 40.44 C ATOM 392 C SER A 26 3.496 28.991 -2.303 1.00 3.11 C ATOM 393 O SER A 26 3.699 29.748 -3.252 1.00 73.31 O ATOM 394 CB SER A 26 5.551 27.992 -1.284 1.00 61.30 C ATOM 395 OG SER A 26 6.803 28.647 -1.391 1.00 11.23 O ATOM 0 H SER A 26 4.020 27.881 0.643 1.00 43.52 H new ATOM 0 HA SER A 26 4.842 29.997 -0.980 1.00 40.44 H new ATOM 0 HB2 SER A 26 5.572 27.295 -0.446 1.00 61.30 H new ATOM 0 HB3 SER A 26 5.367 27.404 -2.183 1.00 61.30 H new ATOM 0 HG SER A 26 7.511 27.981 -1.515 1.00 11.23 H new ATOM 401 N GLN A 27 2.485 28.130 -2.266 1.00 32.44 N ATOM 402 CA GLN A 27 1.533 28.022 -3.365 1.00 21.20 C ATOM 403 C GLN A 27 0.469 26.972 -3.062 1.00 53.25 C ATOM 404 O GLN A 27 0.406 25.917 -3.693 1.00 61.41 O ATOM 405 CB GLN A 27 2.260 27.669 -4.664 1.00 32.42 C ATOM 406 CG GLN A 27 3.262 26.536 -4.512 1.00 20.24 C ATOM 407 CD GLN A 27 3.671 25.935 -5.842 1.00 54.32 C ATOM 408 OE1 GLN A 27 2.884 25.247 -6.493 1.00 62.04 O ATOM 409 NE2 GLN A 27 4.906 26.193 -6.254 1.00 4.40 N ATOM 0 H GLN A 27 2.304 27.497 -1.487 1.00 32.44 H new ATOM 0 HA GLN A 27 1.041 28.987 -3.483 1.00 21.20 H new ATOM 0 HB2 GLN A 27 1.524 27.393 -5.419 1.00 32.42 H new ATOM 0 HB3 GLN A 27 2.778 28.554 -5.033 1.00 32.42 H new ATOM 0 HG2 GLN A 27 4.148 26.907 -3.998 1.00 20.24 H new ATOM 0 HG3 GLN A 27 2.831 25.757 -3.883 1.00 20.24 H new ATOM 0 HE21 GLN A 27 5.525 26.768 -5.682 1.00 4.40 H new ATOM 0 HE22 GLN A 27 5.236 25.816 -7.142 1.00 4.40 H new ATOM 418 N PRO A 28 -0.389 27.266 -2.074 1.00 52.43 N ATOM 419 CA PRO A 28 -1.467 26.361 -1.666 1.00 20.33 C ATOM 420 C PRO A 28 -2.564 26.253 -2.719 1.00 14.30 C ATOM 421 O PRO A 28 -3.568 26.964 -2.659 1.00 0.01 O ATOM 422 CB PRO A 28 -2.011 27.009 -0.391 1.00 12.34 C ATOM 423 CG PRO A 28 -1.674 28.454 -0.527 1.00 22.03 C ATOM 424 CD PRO A 28 -0.373 28.506 -1.280 1.00 14.30 C ATOM 0 HA PRO A 28 -1.110 25.341 -1.523 1.00 20.33 H new ATOM 0 HB2 PRO A 28 -3.087 26.860 -0.299 1.00 12.34 H new ATOM 0 HB3 PRO A 28 -1.553 26.578 0.499 1.00 12.34 H new ATOM 0 HG2 PRO A 28 -2.457 28.989 -1.064 1.00 22.03 H new ATOM 0 HG3 PRO A 28 -1.578 28.926 0.451 1.00 22.03 H new ATOM 0 HD2 PRO A 28 -0.312 29.389 -1.916 1.00 14.30 H new ATOM 0 HD3 PRO A 28 0.482 28.539 -0.604 1.00 14.30 H new ATOM 432 N PHE A 29 -2.368 25.360 -3.683 1.00 45.21 N ATOM 433 CA PHE A 29 -3.341 25.160 -4.750 1.00 41.34 C ATOM 434 C PHE A 29 -2.912 24.022 -5.672 1.00 3.13 C ATOM 435 O PHE A 29 -2.726 24.218 -6.873 1.00 34.11 O ATOM 436 CB PHE A 29 -3.515 26.448 -5.559 1.00 23.23 C ATOM 437 CG PHE A 29 -4.893 26.614 -6.132 1.00 11.33 C ATOM 438 CD1 PHE A 29 -5.574 27.813 -5.995 1.00 53.12 C ATOM 439 CD2 PHE A 29 -5.508 25.572 -6.806 1.00 62.24 C ATOM 440 CE1 PHE A 29 -6.843 27.970 -6.522 1.00 23.24 C ATOM 441 CE2 PHE A 29 -6.776 25.723 -7.335 1.00 63.22 C ATOM 442 CZ PHE A 29 -7.445 26.923 -7.192 1.00 25.24 C ATOM 0 H PHE A 29 -1.544 24.763 -3.747 1.00 45.21 H new ATOM 0 HA PHE A 29 -4.294 24.894 -4.293 1.00 41.34 H new ATOM 0 HB2 PHE A 29 -3.291 27.302 -4.920 1.00 23.23 H new ATOM 0 HB3 PHE A 29 -2.789 26.458 -6.372 1.00 23.23 H new ATOM 0 HD1 PHE A 29 -5.108 28.634 -5.471 1.00 53.12 H new ATOM 0 HD2 PHE A 29 -4.991 24.631 -6.920 1.00 62.24 H new ATOM 0 HE1 PHE A 29 -7.363 28.910 -6.410 1.00 23.24 H new ATOM 0 HE2 PHE A 29 -7.244 24.903 -7.860 1.00 63.22 H new ATOM 0 HZ PHE A 29 -8.437 27.042 -7.603 1.00 25.24 H new ATOM 452 N ARG A 30 -2.755 22.833 -5.100 1.00 31.24 N ATOM 453 CA ARG A 30 -2.346 21.663 -5.868 1.00 11.31 C ATOM 454 C ARG A 30 -3.562 20.872 -6.342 1.00 65.00 C ATOM 455 O ARG A 30 -4.398 20.458 -5.539 1.00 24.30 O ATOM 456 CB ARG A 30 -1.437 20.766 -5.026 1.00 43.23 C ATOM 457 CG ARG A 30 -0.975 19.514 -5.753 1.00 72.50 C ATOM 458 CD ARG A 30 -0.299 19.852 -7.072 1.00 42.12 C ATOM 459 NE ARG A 30 0.738 20.868 -6.911 1.00 21.23 N ATOM 460 CZ ARG A 30 1.911 20.635 -6.331 1.00 54.42 C ATOM 461 NH1 ARG A 30 2.194 19.429 -5.861 1.00 32.51 N ATOM 462 NH2 ARG A 30 2.803 21.611 -6.222 1.00 11.44 N ATOM 0 H ARG A 30 -2.905 22.654 -4.107 1.00 31.24 H new ATOM 0 HA ARG A 30 -1.795 22.008 -6.743 1.00 11.31 H new ATOM 0 HB2 ARG A 30 -0.563 21.338 -4.715 1.00 43.23 H new ATOM 0 HB3 ARG A 30 -1.967 20.475 -4.119 1.00 43.23 H new ATOM 0 HG2 ARG A 30 -0.282 18.959 -5.120 1.00 72.50 H new ATOM 0 HG3 ARG A 30 -1.830 18.863 -5.937 1.00 72.50 H new ATOM 0 HD2 ARG A 30 0.141 18.949 -7.496 1.00 42.12 H new ATOM 0 HD3 ARG A 30 -1.046 20.206 -7.782 1.00 42.12 H new ATOM 0 HE ARG A 30 0.552 21.807 -7.263 1.00 21.23 H new ATOM 0 HH11 ARG A 30 1.511 18.676 -5.944 1.00 32.51 H new ATOM 0 HH12 ARG A 30 3.095 19.253 -5.416 1.00 32.51 H new ATOM 0 HH21 ARG A 30 2.589 22.540 -6.583 1.00 11.44 H new ATOM 0 HH22 ARG A 30 3.703 21.432 -5.777 1.00 11.44 H new ATOM 476 N VAL A 31 -3.653 20.666 -7.652 1.00 51.21 N ATOM 477 CA VAL A 31 -4.766 19.924 -8.234 1.00 5.44 C ATOM 478 C VAL A 31 -4.397 18.461 -8.449 1.00 33.33 C ATOM 479 O VAL A 31 -3.386 18.151 -9.079 1.00 24.13 O ATOM 480 CB VAL A 31 -5.206 20.535 -9.578 1.00 25.54 C ATOM 481 CG1 VAL A 31 -4.044 20.559 -10.559 1.00 63.10 C ATOM 482 CG2 VAL A 31 -6.384 19.763 -10.152 1.00 64.44 C ATOM 0 H VAL A 31 -2.970 21.002 -8.331 1.00 51.21 H new ATOM 0 HA VAL A 31 -5.593 19.987 -7.527 1.00 5.44 H new ATOM 0 HB VAL A 31 -5.524 21.563 -9.404 1.00 25.54 H new ATOM 0 HG11 VAL A 31 -4.373 20.994 -11.503 1.00 63.10 H new ATOM 0 HG12 VAL A 31 -3.232 21.159 -10.147 1.00 63.10 H new ATOM 0 HG13 VAL A 31 -3.692 19.542 -10.731 1.00 63.10 H new ATOM 0 HG21 VAL A 31 -6.682 20.208 -11.101 1.00 64.44 H new ATOM 0 HG22 VAL A 31 -6.095 18.724 -10.313 1.00 64.44 H new ATOM 0 HG23 VAL A 31 -7.220 19.803 -9.454 1.00 64.44 H new ATOM 492 N ILE A 32 -5.225 17.565 -7.922 1.00 22.42 N ATOM 493 CA ILE A 32 -4.987 16.133 -8.058 1.00 21.03 C ATOM 494 C ILE A 32 -6.113 15.460 -8.835 1.00 42.04 C ATOM 495 O ILE A 32 -7.283 15.560 -8.465 1.00 64.33 O ATOM 496 CB ILE A 32 -4.849 15.452 -6.683 1.00 52.21 C ATOM 497 CG1 ILE A 32 -5.968 15.914 -5.747 1.00 22.23 C ATOM 498 CG2 ILE A 32 -3.486 15.752 -6.077 1.00 53.45 C ATOM 499 CD1 ILE A 32 -5.928 15.253 -4.387 1.00 34.14 C ATOM 0 H ILE A 32 -6.066 17.805 -7.397 1.00 22.42 H new ATOM 0 HA ILE A 32 -4.052 16.019 -8.606 1.00 21.03 H new ATOM 0 HB ILE A 32 -4.935 14.374 -6.818 1.00 52.21 H new ATOM 0 HG12 ILE A 32 -5.901 16.994 -5.619 1.00 22.23 H new ATOM 0 HG13 ILE A 32 -6.931 15.707 -6.215 1.00 22.23 H new ATOM 0 HG21 ILE A 32 -3.404 15.264 -5.106 1.00 53.45 H new ATOM 0 HG22 ILE A 32 -2.704 15.379 -6.738 1.00 53.45 H new ATOM 0 HG23 ILE A 32 -3.372 16.829 -5.952 1.00 53.45 H new ATOM 0 HD11 ILE A 32 -6.749 15.627 -3.776 1.00 34.14 H new ATOM 0 HD12 ILE A 32 -6.026 14.174 -4.504 1.00 34.14 H new ATOM 0 HD13 ILE A 32 -4.980 15.481 -3.899 1.00 34.14 H new ATOM 511 N SER A 33 -5.751 14.773 -9.914 1.00 71.02 N ATOM 512 CA SER A 33 -6.731 14.084 -10.746 1.00 10.30 C ATOM 513 C SER A 33 -6.726 12.585 -10.463 1.00 13.24 C ATOM 514 O SER A 33 -5.694 11.924 -10.578 1.00 60.01 O ATOM 515 CB SER A 33 -6.441 14.336 -12.227 1.00 31.21 C ATOM 516 OG SER A 33 -6.896 15.617 -12.625 1.00 52.42 O ATOM 0 H SER A 33 -4.787 14.679 -10.232 1.00 71.02 H new ATOM 0 HA SER A 33 -7.718 14.478 -10.504 1.00 10.30 H new ATOM 0 HB2 SER A 33 -5.370 14.254 -12.410 1.00 31.21 H new ATOM 0 HB3 SER A 33 -6.927 13.570 -12.831 1.00 31.21 H new ATOM 0 HG SER A 33 -6.697 15.754 -13.575 1.00 52.42 H new ATOM 522 N ILE A 34 -7.887 12.056 -10.091 1.00 52.13 N ATOM 523 CA ILE A 34 -8.018 10.635 -9.792 1.00 41.53 C ATOM 524 C ILE A 34 -9.378 10.104 -10.233 1.00 25.21 C ATOM 525 O ILE A 34 -10.364 10.839 -10.260 1.00 43.44 O ATOM 526 CB ILE A 34 -7.833 10.357 -8.289 1.00 10.21 C ATOM 527 CG1 ILE A 34 -6.581 11.066 -7.767 1.00 72.40 C ATOM 528 CG2 ILE A 34 -7.746 8.860 -8.034 1.00 61.22 C ATOM 529 CD1 ILE A 34 -6.409 10.962 -6.268 1.00 30.12 C ATOM 0 H ILE A 34 -8.750 12.590 -9.989 1.00 52.13 H new ATOM 0 HA ILE A 34 -7.233 10.122 -10.347 1.00 41.53 H new ATOM 0 HB ILE A 34 -8.698 10.747 -7.753 1.00 10.21 H new ATOM 0 HG12 ILE A 34 -5.703 10.643 -8.256 1.00 72.40 H new ATOM 0 HG13 ILE A 34 -6.626 12.118 -8.047 1.00 72.40 H new ATOM 0 HG21 ILE A 34 -7.615 8.680 -6.967 1.00 61.22 H new ATOM 0 HG22 ILE A 34 -8.663 8.379 -8.374 1.00 61.22 H new ATOM 0 HG23 ILE A 34 -6.897 8.447 -8.578 1.00 61.22 H new ATOM 0 HD11 ILE A 34 -5.502 11.487 -5.969 1.00 30.12 H new ATOM 0 HD12 ILE A 34 -7.269 11.411 -5.771 1.00 30.12 H new ATOM 0 HD13 ILE A 34 -6.332 9.913 -5.983 1.00 30.12 H new ATOM 541 N ALA A 35 -9.422 8.820 -10.575 1.00 53.41 N ATOM 542 CA ALA A 35 -10.662 8.189 -11.011 1.00 23.24 C ATOM 543 C ALA A 35 -11.694 8.174 -9.888 1.00 70.13 C ATOM 544 O ALA A 35 -11.342 8.148 -8.710 1.00 22.33 O ATOM 545 CB ALA A 35 -10.390 6.774 -11.499 1.00 24.42 C ATOM 0 H ALA A 35 -8.614 8.197 -10.559 1.00 53.41 H new ATOM 0 HA ALA A 35 -11.069 8.774 -11.836 1.00 23.24 H new ATOM 0 HB1 ALA A 35 -11.324 6.314 -11.822 1.00 24.42 H new ATOM 0 HB2 ALA A 35 -9.693 6.806 -12.337 1.00 24.42 H new ATOM 0 HB3 ALA A 35 -9.957 6.187 -10.689 1.00 24.42 H new ATOM 551 N GLU A 36 -12.969 8.192 -10.263 1.00 73.43 N ATOM 552 CA GLU A 36 -14.052 8.182 -9.287 1.00 31.33 C ATOM 553 C GLU A 36 -13.990 6.929 -8.418 1.00 21.31 C ATOM 554 O GLU A 36 -14.511 6.908 -7.303 1.00 70.25 O ATOM 555 CB GLU A 36 -15.407 8.259 -9.994 1.00 20.34 C ATOM 556 CG GLU A 36 -16.483 8.952 -9.174 1.00 24.40 C ATOM 557 CD GLU A 36 -17.476 9.708 -10.035 1.00 25.00 C ATOM 558 OE1 GLU A 36 -17.669 9.312 -11.204 1.00 3.13 O ATOM 559 OE2 GLU A 36 -18.059 10.695 -9.541 1.00 1.22 O ATOM 0 H GLU A 36 -13.277 8.214 -11.235 1.00 73.43 H new ATOM 0 HA GLU A 36 -13.935 9.055 -8.645 1.00 31.33 H new ATOM 0 HB2 GLU A 36 -15.285 8.788 -10.939 1.00 20.34 H new ATOM 0 HB3 GLU A 36 -15.740 7.249 -10.235 1.00 20.34 H new ATOM 0 HG2 GLU A 36 -17.015 8.210 -8.579 1.00 24.40 H new ATOM 0 HG3 GLU A 36 -16.013 9.644 -8.475 1.00 24.40 H new ATOM 566 N GLU A 37 -13.349 5.886 -8.938 1.00 10.41 N ATOM 567 CA GLU A 37 -13.220 4.629 -8.210 1.00 51.33 C ATOM 568 C GLU A 37 -11.757 4.329 -7.899 1.00 22.42 C ATOM 569 O GLU A 37 -11.429 3.264 -7.377 1.00 25.32 O ATOM 570 CB GLU A 37 -13.827 3.481 -9.020 1.00 0.43 C ATOM 571 CG GLU A 37 -15.067 2.876 -8.383 1.00 2.52 C ATOM 572 CD GLU A 37 -14.769 1.597 -7.626 1.00 63.31 C ATOM 573 OE1 GLU A 37 -14.431 0.587 -8.279 1.00 45.21 O ATOM 574 OE2 GLU A 37 -14.874 1.604 -6.382 1.00 5.21 O ATOM 0 H GLU A 37 -12.912 5.887 -9.859 1.00 10.41 H new ATOM 0 HA GLU A 37 -13.761 4.726 -7.269 1.00 51.33 H new ATOM 0 HB2 GLU A 37 -14.081 3.845 -10.016 1.00 0.43 H new ATOM 0 HB3 GLU A 37 -13.077 2.701 -9.147 1.00 0.43 H new ATOM 0 HG2 GLU A 37 -15.512 3.602 -7.702 1.00 2.52 H new ATOM 0 HG3 GLU A 37 -15.806 2.671 -9.158 1.00 2.52 H new ATOM 581 N ALA A 38 -10.882 5.275 -8.224 1.00 32.00 N ATOM 582 CA ALA A 38 -9.455 5.113 -7.978 1.00 64.11 C ATOM 583 C ALA A 38 -9.094 5.512 -6.551 1.00 54.52 C ATOM 584 O ALA A 38 -9.750 6.350 -5.931 1.00 51.02 O ATOM 585 CB ALA A 38 -8.651 5.932 -8.977 1.00 3.43 C ATOM 0 H ALA A 38 -11.137 6.162 -8.659 1.00 32.00 H new ATOM 0 HA ALA A 38 -9.207 4.059 -8.106 1.00 64.11 H new ATOM 0 HB1 ALA A 38 -7.587 5.802 -8.781 1.00 3.43 H new ATOM 0 HB2 ALA A 38 -8.878 5.596 -9.989 1.00 3.43 H new ATOM 0 HB3 ALA A 38 -8.912 6.986 -8.877 1.00 3.43 H new ATOM 591 N PRO A 39 -8.028 4.900 -6.016 1.00 10.13 N ATOM 592 CA PRO A 39 -7.557 5.176 -4.655 1.00 41.33 C ATOM 593 C PRO A 39 -6.947 6.568 -4.524 1.00 65.55 C ATOM 594 O PRO A 39 -6.337 7.080 -5.464 1.00 41.11 O ATOM 595 CB PRO A 39 -6.492 4.101 -4.424 1.00 12.25 C ATOM 596 CG PRO A 39 -6.011 3.744 -5.788 1.00 34.05 C ATOM 597 CD PRO A 39 -7.200 3.891 -6.697 1.00 44.32 C ATOM 0 HA PRO A 39 -8.370 5.153 -3.929 1.00 41.33 H new ATOM 0 HB2 PRO A 39 -5.679 4.477 -3.803 1.00 12.25 H new ATOM 0 HB3 PRO A 39 -6.909 3.234 -3.912 1.00 12.25 H new ATOM 0 HG2 PRO A 39 -5.198 4.400 -6.099 1.00 34.05 H new ATOM 0 HG3 PRO A 39 -5.625 2.725 -5.812 1.00 34.05 H new ATOM 0 HD2 PRO A 39 -6.905 4.219 -7.694 1.00 44.32 H new ATOM 0 HD3 PRO A 39 -7.733 2.948 -6.817 1.00 44.32 H new ATOM 605 N LEU A 40 -7.113 7.174 -3.354 1.00 74.14 N ATOM 606 CA LEU A 40 -6.578 8.507 -3.100 1.00 61.13 C ATOM 607 C LEU A 40 -5.053 8.491 -3.106 1.00 43.33 C ATOM 608 O LEU A 40 -4.410 9.528 -3.277 1.00 14.21 O ATOM 609 CB LEU A 40 -7.089 9.036 -1.759 1.00 24.11 C ATOM 610 CG LEU A 40 -7.572 10.486 -1.750 1.00 13.53 C ATOM 611 CD1 LEU A 40 -7.860 10.944 -0.328 1.00 55.03 C ATOM 612 CD2 LEU A 40 -6.544 11.396 -2.406 1.00 61.25 C ATOM 0 H LEU A 40 -7.614 6.764 -2.566 1.00 74.14 H new ATOM 0 HA LEU A 40 -6.919 9.167 -3.897 1.00 61.13 H new ATOM 0 HB2 LEU A 40 -7.909 8.399 -1.429 1.00 24.11 H new ATOM 0 HB3 LEU A 40 -6.291 8.935 -1.023 1.00 24.11 H new ATOM 0 HG LEU A 40 -8.497 10.543 -2.324 1.00 13.53 H new ATOM 0 HD11 LEU A 40 -8.203 11.979 -0.341 1.00 55.03 H new ATOM 0 HD12 LEU A 40 -8.633 10.311 0.109 1.00 55.03 H new ATOM 0 HD13 LEU A 40 -6.951 10.871 0.269 1.00 55.03 H new ATOM 0 HD21 LEU A 40 -6.906 12.424 -2.390 1.00 61.25 H new ATOM 0 HD22 LEU A 40 -5.602 11.334 -1.860 1.00 61.25 H new ATOM 0 HD23 LEU A 40 -6.387 11.083 -3.438 1.00 61.25 H new ATOM 624 N THR A 41 -4.477 7.307 -2.921 1.00 52.20 N ATOM 625 CA THR A 41 -3.028 7.156 -2.906 1.00 62.31 C ATOM 626 C THR A 41 -2.397 7.784 -4.143 1.00 44.22 C ATOM 627 O THR A 41 -1.275 8.288 -4.091 1.00 51.13 O ATOM 628 CB THR A 41 -2.619 5.673 -2.832 1.00 63.42 C ATOM 629 OG1 THR A 41 -3.425 4.989 -1.866 1.00 10.50 O ATOM 630 CG2 THR A 41 -1.149 5.534 -2.463 1.00 14.31 C ATOM 0 H THR A 41 -4.993 6.439 -2.779 1.00 52.20 H new ATOM 0 HA THR A 41 -2.666 7.670 -2.016 1.00 62.31 H new ATOM 0 HB THR A 41 -2.774 5.228 -3.815 1.00 63.42 H new ATOM 0 HG1 THR A 41 -3.159 4.047 -1.827 1.00 10.50 H new ATOM 0 HG21 THR A 41 -0.884 4.478 -2.417 1.00 14.31 H new ATOM 0 HG22 THR A 41 -0.536 6.029 -3.216 1.00 14.31 H new ATOM 0 HG23 THR A 41 -0.973 5.995 -1.491 1.00 14.31 H new ATOM 638 N ALA A 42 -3.124 7.752 -5.255 1.00 35.44 N ATOM 639 CA ALA A 42 -2.636 8.321 -6.504 1.00 72.25 C ATOM 640 C ALA A 42 -2.341 9.809 -6.351 1.00 65.15 C ATOM 641 O ALA A 42 -1.435 10.341 -6.993 1.00 22.41 O ATOM 642 CB ALA A 42 -3.647 8.093 -7.618 1.00 53.55 C ATOM 0 H ALA A 42 -4.054 7.337 -5.316 1.00 35.44 H new ATOM 0 HA ALA A 42 -1.705 7.818 -6.765 1.00 72.25 H new ATOM 0 HB1 ALA A 42 -3.270 8.523 -8.546 1.00 53.55 H new ATOM 0 HB2 ALA A 42 -3.805 7.023 -7.752 1.00 53.55 H new ATOM 0 HB3 ALA A 42 -4.592 8.569 -7.355 1.00 53.55 H new ATOM 648 N ALA A 43 -3.111 10.476 -5.498 1.00 62.12 N ATOM 649 CA ALA A 43 -2.930 11.903 -5.260 1.00 71.54 C ATOM 650 C ALA A 43 -1.690 12.165 -4.413 1.00 2.01 C ATOM 651 O ALA A 43 -1.083 13.234 -4.497 1.00 22.44 O ATOM 652 CB ALA A 43 -4.164 12.486 -4.588 1.00 51.02 C ATOM 0 H ALA A 43 -3.866 10.051 -4.960 1.00 62.12 H new ATOM 0 HA ALA A 43 -2.789 12.392 -6.224 1.00 71.54 H new ATOM 0 HB1 ALA A 43 -4.015 13.552 -4.416 1.00 51.02 H new ATOM 0 HB2 ALA A 43 -5.032 12.340 -5.231 1.00 51.02 H new ATOM 0 HB3 ALA A 43 -4.330 11.985 -3.635 1.00 51.02 H new ATOM 658 N LEU A 44 -1.318 11.185 -3.597 1.00 34.21 N ATOM 659 CA LEU A 44 -0.150 11.310 -2.733 1.00 2.22 C ATOM 660 C LEU A 44 1.055 11.820 -3.517 1.00 1.11 C ATOM 661 O LEU A 44 1.926 12.494 -2.967 1.00 24.34 O ATOM 662 CB LEU A 44 0.180 9.962 -2.089 1.00 12.32 C ATOM 663 CG LEU A 44 1.053 10.013 -0.835 1.00 3.21 C ATOM 664 CD1 LEU A 44 0.433 9.187 0.281 1.00 3.45 C ATOM 665 CD2 LEU A 44 2.460 9.523 -1.145 1.00 3.32 C ATOM 0 H LEU A 44 -1.809 10.295 -3.516 1.00 34.21 H new ATOM 0 HA LEU A 44 -0.384 12.032 -1.950 1.00 2.22 H new ATOM 0 HB2 LEU A 44 -0.756 9.464 -1.836 1.00 12.32 H new ATOM 0 HB3 LEU A 44 0.681 9.340 -2.831 1.00 12.32 H new ATOM 0 HG LEU A 44 1.115 11.049 -0.501 1.00 3.21 H new ATOM 0 HD11 LEU A 44 1.068 9.235 1.165 1.00 3.45 H new ATOM 0 HD12 LEU A 44 -0.554 9.583 0.521 1.00 3.45 H new ATOM 0 HD13 LEU A 44 0.340 8.150 -0.042 1.00 3.45 H new ATOM 0 HD21 LEU A 44 3.068 9.566 -0.241 1.00 3.32 H new ATOM 0 HD22 LEU A 44 2.416 8.495 -1.504 1.00 3.32 H new ATOM 0 HD23 LEU A 44 2.905 10.157 -1.912 1.00 3.32 H new ATOM 677 N ARG A 45 1.096 11.496 -4.805 1.00 45.11 N ATOM 678 CA ARG A 45 2.194 11.922 -5.665 1.00 52.32 C ATOM 679 C ARG A 45 2.432 13.424 -5.539 1.00 1.14 C ATOM 680 O ARG A 45 3.526 13.862 -5.182 1.00 62.21 O ATOM 681 CB ARG A 45 1.897 11.563 -7.122 1.00 52.23 C ATOM 682 CG ARG A 45 2.509 10.243 -7.561 1.00 41.13 C ATOM 683 CD ARG A 45 3.408 10.422 -8.774 1.00 43.14 C ATOM 684 NE ARG A 45 2.663 10.872 -9.947 1.00 34.50 N ATOM 685 CZ ARG A 45 3.118 10.771 -11.191 1.00 4.34 C ATOM 686 NH1 ARG A 45 4.311 10.240 -11.422 1.00 73.34 N ATOM 687 NH2 ARG A 45 2.381 11.203 -12.206 1.00 32.23 N ATOM 0 H ARG A 45 0.382 10.940 -5.276 1.00 45.11 H new ATOM 0 HA ARG A 45 3.096 11.400 -5.345 1.00 52.32 H new ATOM 0 HB2 ARG A 45 0.817 11.518 -7.263 1.00 52.23 H new ATOM 0 HB3 ARG A 45 2.270 12.359 -7.767 1.00 52.23 H new ATOM 0 HG2 ARG A 45 3.085 9.817 -6.740 1.00 41.13 H new ATOM 0 HG3 ARG A 45 1.716 9.533 -7.796 1.00 41.13 H new ATOM 0 HD2 ARG A 45 4.190 11.145 -8.542 1.00 43.14 H new ATOM 0 HD3 ARG A 45 3.904 9.478 -9.000 1.00 43.14 H new ATOM 0 HE ARG A 45 1.742 11.287 -9.803 1.00 34.50 H new ATOM 0 HH11 ARG A 45 4.881 9.908 -10.644 1.00 73.34 H new ATOM 0 HH12 ARG A 45 4.659 10.163 -12.378 1.00 73.34 H new ATOM 0 HH21 ARG A 45 1.464 11.613 -12.032 1.00 32.23 H new ATOM 0 HH22 ARG A 45 2.732 11.125 -13.161 1.00 32.23 H new ATOM 701 N PHE A 46 1.401 14.209 -5.834 1.00 32.53 N ATOM 702 CA PHE A 46 1.498 15.661 -5.754 1.00 41.44 C ATOM 703 C PHE A 46 1.187 16.151 -4.343 1.00 44.21 C ATOM 704 O PHE A 46 1.798 17.102 -3.856 1.00 50.22 O ATOM 705 CB PHE A 46 0.541 16.313 -6.755 1.00 2.12 C ATOM 706 CG PHE A 46 1.138 16.501 -8.120 1.00 41.22 C ATOM 707 CD1 PHE A 46 0.503 15.998 -9.244 1.00 12.01 C ATOM 708 CD2 PHE A 46 2.335 17.181 -8.280 1.00 21.22 C ATOM 709 CE1 PHE A 46 1.049 16.170 -10.502 1.00 22.31 C ATOM 710 CE2 PHE A 46 2.886 17.356 -9.535 1.00 70.11 C ATOM 711 CZ PHE A 46 2.243 16.849 -10.647 1.00 70.34 C ATOM 0 H PHE A 46 0.488 13.863 -6.131 1.00 32.53 H new ATOM 0 HA PHE A 46 2.521 15.946 -6.001 1.00 41.44 H new ATOM 0 HB2 PHE A 46 -0.356 15.699 -6.841 1.00 2.12 H new ATOM 0 HB3 PHE A 46 0.228 17.282 -6.368 1.00 2.12 H new ATOM 0 HD1 PHE A 46 -0.430 15.465 -9.136 1.00 12.01 H new ATOM 0 HD2 PHE A 46 2.843 17.579 -7.414 1.00 21.22 H new ATOM 0 HE1 PHE A 46 0.543 15.774 -11.370 1.00 22.31 H new ATOM 0 HE2 PHE A 46 3.819 17.889 -9.646 1.00 70.11 H new ATOM 0 HZ PHE A 46 2.673 16.983 -11.629 1.00 70.34 H new ATOM 721 N ALA A 47 0.233 15.494 -3.692 1.00 50.30 N ATOM 722 CA ALA A 47 -0.159 15.861 -2.337 1.00 25.03 C ATOM 723 C ALA A 47 1.035 15.812 -1.388 1.00 74.14 C ATOM 724 O ALA A 47 1.105 16.573 -0.424 1.00 14.01 O ATOM 725 CB ALA A 47 -1.267 14.944 -1.841 1.00 51.03 C ATOM 0 H ALA A 47 -0.283 14.705 -4.081 1.00 50.30 H new ATOM 0 HA ALA A 47 -0.532 16.885 -2.358 1.00 25.03 H new ATOM 0 HB1 ALA A 47 -1.550 15.230 -0.828 1.00 51.03 H new ATOM 0 HB2 ALA A 47 -2.133 15.031 -2.497 1.00 51.03 H new ATOM 0 HB3 ALA A 47 -0.914 13.913 -1.842 1.00 51.03 H new ATOM 731 N ALA A 48 1.971 14.911 -1.669 1.00 13.13 N ATOM 732 CA ALA A 48 3.162 14.764 -0.841 1.00 55.11 C ATOM 733 C ALA A 48 3.931 16.077 -0.748 1.00 43.15 C ATOM 734 O ALA A 48 4.640 16.324 0.227 1.00 60.43 O ATOM 735 CB ALA A 48 4.056 13.664 -1.393 1.00 75.34 C ATOM 0 H ALA A 48 1.928 14.272 -2.463 1.00 13.13 H new ATOM 0 HA ALA A 48 2.844 14.488 0.164 1.00 55.11 H new ATOM 0 HB1 ALA A 48 4.941 13.565 -0.765 1.00 75.34 H new ATOM 0 HB2 ALA A 48 3.510 12.721 -1.401 1.00 75.34 H new ATOM 0 HB3 ALA A 48 4.358 13.917 -2.409 1.00 75.34 H new ATOM 741 N GLU A 49 3.787 16.916 -1.770 1.00 63.40 N ATOM 742 CA GLU A 49 4.471 18.203 -1.803 1.00 23.00 C ATOM 743 C GLU A 49 3.723 19.238 -0.968 1.00 41.20 C ATOM 744 O GLU A 49 4.334 20.098 -0.334 1.00 61.04 O ATOM 745 CB GLU A 49 4.607 18.696 -3.245 1.00 4.51 C ATOM 746 CG GLU A 49 5.042 17.615 -4.220 1.00 2.22 C ATOM 747 CD GLU A 49 5.784 18.174 -5.418 1.00 43.22 C ATOM 748 OE1 GLU A 49 6.407 17.379 -6.153 1.00 42.41 O ATOM 749 OE2 GLU A 49 5.743 19.406 -5.621 1.00 75.41 O ATOM 0 H GLU A 49 3.203 16.727 -2.585 1.00 63.40 H new ATOM 0 HA GLU A 49 5.465 18.068 -1.377 1.00 23.00 H new ATOM 0 HB2 GLU A 49 3.651 19.105 -3.572 1.00 4.51 H new ATOM 0 HB3 GLU A 49 5.329 19.512 -3.274 1.00 4.51 H new ATOM 0 HG2 GLU A 49 5.682 16.900 -3.702 1.00 2.22 H new ATOM 0 HG3 GLU A 49 4.165 17.067 -4.564 1.00 2.22 H new ATOM 756 N GLU A 50 2.397 19.148 -0.974 1.00 12.11 N ATOM 757 CA GLU A 50 1.565 20.078 -0.218 1.00 63.34 C ATOM 758 C GLU A 50 1.844 19.965 1.278 1.00 63.24 C ATOM 759 O GLU A 50 1.965 20.972 1.976 1.00 61.23 O ATOM 760 CB GLU A 50 0.084 19.811 -0.494 1.00 11.04 C ATOM 761 CG GLU A 50 -0.517 20.735 -1.539 1.00 40.50 C ATOM 762 CD GLU A 50 -0.351 22.201 -1.186 1.00 72.14 C ATOM 763 OE1 GLU A 50 0.600 22.829 -1.696 1.00 43.11 O ATOM 764 OE2 GLU A 50 -1.172 22.719 -0.401 1.00 40.31 O ATOM 0 H GLU A 50 1.876 18.442 -1.493 1.00 12.11 H new ATOM 0 HA GLU A 50 1.810 21.090 -0.540 1.00 63.34 H new ATOM 0 HB2 GLU A 50 -0.035 18.779 -0.823 1.00 11.04 H new ATOM 0 HB3 GLU A 50 -0.475 19.916 0.436 1.00 11.04 H new ATOM 0 HG2 GLU A 50 -0.047 20.542 -2.503 1.00 40.50 H new ATOM 0 HG3 GLU A 50 -1.578 20.510 -1.651 1.00 40.50 H new ATOM 771 N PHE A 51 1.945 18.732 1.763 1.00 20.03 N ATOM 772 CA PHE A 51 2.208 18.486 3.176 1.00 1.14 C ATOM 773 C PHE A 51 3.704 18.326 3.431 1.00 20.03 C ATOM 774 O PHE A 51 4.177 18.511 4.552 1.00 63.33 O ATOM 775 CB PHE A 51 1.463 17.235 3.646 1.00 54.13 C ATOM 776 CG PHE A 51 0.651 17.453 4.891 1.00 61.42 C ATOM 777 CD1 PHE A 51 -0.658 17.004 4.968 1.00 44.42 C ATOM 778 CD2 PHE A 51 1.197 18.106 5.984 1.00 21.20 C ATOM 779 CE1 PHE A 51 -1.407 17.203 6.112 1.00 30.52 C ATOM 780 CE2 PHE A 51 0.453 18.306 7.131 1.00 13.41 C ATOM 781 CZ PHE A 51 -0.851 17.855 7.195 1.00 53.41 C ATOM 0 H PHE A 51 1.849 17.888 1.199 1.00 20.03 H new ATOM 0 HA PHE A 51 1.850 19.347 3.741 1.00 1.14 H new ATOM 0 HB2 PHE A 51 0.805 16.893 2.848 1.00 54.13 H new ATOM 0 HB3 PHE A 51 2.185 16.439 3.827 1.00 54.13 H new ATOM 0 HD1 PHE A 51 -1.098 16.493 4.124 1.00 44.42 H new ATOM 0 HD2 PHE A 51 2.215 18.463 5.939 1.00 21.20 H new ATOM 0 HE1 PHE A 51 -2.426 16.849 6.159 1.00 30.52 H new ATOM 0 HE2 PHE A 51 0.891 18.815 7.977 1.00 13.41 H new ATOM 0 HZ PHE A 51 -1.435 18.012 8.090 1.00 53.41 H new ATOM 791 N GLY A 52 4.444 17.980 2.382 1.00 54.12 N ATOM 792 CA GLY A 52 5.878 17.800 2.512 1.00 73.11 C ATOM 793 C GLY A 52 6.236 16.636 3.414 1.00 62.41 C ATOM 794 O GLY A 52 7.387 16.494 3.827 1.00 25.21 O ATOM 0 H GLY A 52 4.076 17.821 1.444 1.00 54.12 H new ATOM 0 HA2 GLY A 52 6.312 17.638 1.525 1.00 73.11 H new ATOM 0 HA3 GLY A 52 6.321 18.713 2.909 1.00 73.11 H new ATOM 798 N ILE A 53 5.249 15.802 3.721 1.00 33.44 N ATOM 799 CA ILE A 53 5.466 14.645 4.581 1.00 63.41 C ATOM 800 C ILE A 53 4.604 13.465 4.144 1.00 50.20 C ATOM 801 O ILE A 53 3.950 13.514 3.103 1.00 75.20 O ATOM 802 CB ILE A 53 5.160 14.972 6.054 1.00 11.12 C ATOM 803 CG1 ILE A 53 3.661 15.212 6.245 1.00 32.50 C ATOM 804 CG2 ILE A 53 5.957 16.187 6.504 1.00 43.45 C ATOM 805 CD1 ILE A 53 3.280 15.556 7.668 1.00 42.32 C ATOM 0 H ILE A 53 4.291 15.906 3.387 1.00 33.44 H new ATOM 0 HA ILE A 53 6.518 14.377 4.488 1.00 63.41 H new ATOM 0 HB ILE A 53 5.454 14.121 6.668 1.00 11.12 H new ATOM 0 HG12 ILE A 53 3.344 16.021 5.587 1.00 32.50 H new ATOM 0 HG13 ILE A 53 3.116 14.319 5.937 1.00 32.50 H new ATOM 0 HG21 ILE A 53 5.730 16.405 7.547 1.00 43.45 H new ATOM 0 HG22 ILE A 53 7.023 15.982 6.400 1.00 43.45 H new ATOM 0 HG23 ILE A 53 5.691 17.046 5.887 1.00 43.45 H new ATOM 0 HD11 ILE A 53 2.203 15.713 7.729 1.00 42.32 H new ATOM 0 HD12 ILE A 53 3.565 14.738 8.329 1.00 42.32 H new ATOM 0 HD13 ILE A 53 3.797 16.466 7.973 1.00 42.32 H new ATOM 817 N ALA A 54 4.607 12.407 4.948 1.00 41.10 N ATOM 818 CA ALA A 54 3.822 11.216 4.647 1.00 42.43 C ATOM 819 C ALA A 54 3.652 10.343 5.885 1.00 24.11 C ATOM 820 O ALA A 54 4.376 9.365 6.070 1.00 22.43 O ATOM 821 CB ALA A 54 4.476 10.423 3.525 1.00 53.43 C ATOM 0 H ALA A 54 5.144 12.350 5.813 1.00 41.10 H new ATOM 0 HA ALA A 54 2.832 11.536 4.322 1.00 42.43 H new ATOM 0 HB1 ALA A 54 3.879 9.536 3.310 1.00 53.43 H new ATOM 0 HB2 ALA A 54 4.540 11.043 2.631 1.00 53.43 H new ATOM 0 HB3 ALA A 54 5.478 10.121 3.829 1.00 53.43 H new ATOM 827 N SER A 55 2.692 10.703 6.731 1.00 41.14 N ATOM 828 CA SER A 55 2.431 9.954 7.954 1.00 15.42 C ATOM 829 C SER A 55 1.202 10.502 8.674 1.00 0.22 C ATOM 830 O SER A 55 0.130 9.897 8.645 1.00 1.44 O ATOM 831 CB SER A 55 3.646 10.010 8.881 1.00 2.43 C ATOM 832 OG SER A 55 4.485 8.884 8.691 1.00 43.53 O ATOM 0 H SER A 55 2.082 11.509 6.592 1.00 41.14 H new ATOM 0 HA SER A 55 2.239 8.916 7.681 1.00 15.42 H new ATOM 0 HB2 SER A 55 4.210 10.923 8.692 1.00 2.43 H new ATOM 0 HB3 SER A 55 3.314 10.049 9.919 1.00 2.43 H new ATOM 0 HG SER A 55 4.633 8.744 7.732 1.00 43.53 H new ATOM 838 N VAL A 56 1.366 11.652 9.320 1.00 3.23 N ATOM 839 CA VAL A 56 0.272 12.284 10.047 1.00 33.35 C ATOM 840 C VAL A 56 -0.787 12.819 9.090 1.00 13.04 C ATOM 841 O VAL A 56 -1.932 13.049 9.481 1.00 51.14 O ATOM 842 CB VAL A 56 0.778 13.438 10.933 1.00 62.21 C ATOM 843 CG1 VAL A 56 1.699 12.910 12.023 1.00 53.51 C ATOM 844 CG2 VAL A 56 1.485 14.486 10.088 1.00 43.44 C ATOM 0 H VAL A 56 2.247 12.165 9.355 1.00 3.23 H new ATOM 0 HA VAL A 56 -0.170 11.516 10.682 1.00 33.35 H new ATOM 0 HB VAL A 56 -0.080 13.909 11.413 1.00 62.21 H new ATOM 0 HG11 VAL A 56 2.047 13.739 12.639 1.00 53.51 H new ATOM 0 HG12 VAL A 56 1.156 12.199 12.645 1.00 53.51 H new ATOM 0 HG13 VAL A 56 2.555 12.413 11.567 1.00 53.51 H new ATOM 0 HG21 VAL A 56 1.836 15.294 10.730 1.00 43.44 H new ATOM 0 HG22 VAL A 56 2.335 14.031 9.580 1.00 43.44 H new ATOM 0 HG23 VAL A 56 0.791 14.885 9.348 1.00 43.44 H new ATOM 854 N ASP A 57 -0.398 13.015 7.836 1.00 62.25 N ATOM 855 CA ASP A 57 -1.314 13.522 6.821 1.00 72.22 C ATOM 856 C ASP A 57 -2.411 12.505 6.522 1.00 31.52 C ATOM 857 O ASP A 57 -3.415 12.827 5.887 1.00 44.54 O ATOM 858 CB ASP A 57 -0.552 13.860 5.538 1.00 14.24 C ATOM 859 CG ASP A 57 0.040 12.632 4.876 1.00 72.03 C ATOM 860 OD1 ASP A 57 0.434 12.727 3.694 1.00 24.14 O ATOM 861 OD2 ASP A 57 0.109 11.576 5.538 1.00 5.15 O ATOM 0 H ASP A 57 0.546 12.830 7.497 1.00 62.25 H new ATOM 0 HA ASP A 57 -1.779 14.429 7.208 1.00 72.22 H new ATOM 0 HB2 ASP A 57 -1.225 14.357 4.839 1.00 14.24 H new ATOM 0 HB3 ASP A 57 0.246 14.566 5.768 1.00 14.24 H new ATOM 866 N SER A 58 -2.212 11.274 6.984 1.00 1.22 N ATOM 867 CA SER A 58 -3.182 10.208 6.762 1.00 3.14 C ATOM 868 C SER A 58 -4.531 10.564 7.379 1.00 51.33 C ATOM 869 O SER A 58 -5.571 10.057 6.959 1.00 23.31 O ATOM 870 CB SER A 58 -2.670 8.893 7.353 1.00 4.01 C ATOM 871 OG SER A 58 -1.679 8.312 6.523 1.00 41.53 O ATOM 0 H SER A 58 -1.388 10.991 7.514 1.00 1.22 H new ATOM 0 HA SER A 58 -3.314 10.088 5.687 1.00 3.14 H new ATOM 0 HB2 SER A 58 -2.257 9.073 8.346 1.00 4.01 H new ATOM 0 HB3 SER A 58 -3.500 8.198 7.474 1.00 4.01 H new ATOM 0 HG SER A 58 -1.367 7.474 6.924 1.00 41.53 H new ATOM 877 N MET A 59 -4.505 11.441 8.377 1.00 35.35 N ATOM 878 CA MET A 59 -5.726 11.866 9.052 1.00 55.43 C ATOM 879 C MET A 59 -5.549 13.246 9.679 1.00 63.44 C ATOM 880 O MET A 59 -5.512 13.382 10.901 1.00 22.31 O ATOM 881 CB MET A 59 -6.121 10.852 10.126 1.00 33.24 C ATOM 882 CG MET A 59 -7.013 9.735 9.609 1.00 35.13 C ATOM 883 SD MET A 59 -6.234 8.113 9.726 1.00 13.11 S ATOM 884 CE MET A 59 -7.314 7.303 10.904 1.00 63.14 C ATOM 0 H MET A 59 -3.653 11.871 8.736 1.00 35.35 H new ATOM 0 HA MET A 59 -6.521 11.924 8.308 1.00 55.43 H new ATOM 0 HB2 MET A 59 -5.217 10.416 10.552 1.00 33.24 H new ATOM 0 HB3 MET A 59 -6.636 11.372 10.934 1.00 33.24 H new ATOM 0 HG2 MET A 59 -7.945 9.728 10.175 1.00 35.13 H new ATOM 0 HG3 MET A 59 -7.273 9.935 8.569 1.00 35.13 H new ATOM 0 HE1 MET A 59 -6.962 6.287 11.081 1.00 63.14 H new ATOM 0 HE2 MET A 59 -7.310 7.857 11.843 1.00 63.14 H new ATOM 0 HE3 MET A 59 -8.328 7.272 10.506 1.00 63.14 H new ATOM 894 N ALA A 60 -5.439 14.265 8.833 1.00 1.34 N ATOM 895 CA ALA A 60 -5.267 15.634 9.305 1.00 22.44 C ATOM 896 C ALA A 60 -5.907 16.630 8.345 1.00 0.20 C ATOM 897 O ALA A 60 -5.217 17.284 7.564 1.00 52.43 O ATOM 898 CB ALA A 60 -3.789 15.947 9.487 1.00 51.30 C ATOM 0 H ALA A 60 -5.466 14.169 7.818 1.00 1.34 H new ATOM 0 HA ALA A 60 -5.768 15.726 10.269 1.00 22.44 H new ATOM 0 HB1 ALA A 60 -3.675 16.972 9.840 1.00 51.30 H new ATOM 0 HB2 ALA A 60 -3.359 15.262 10.218 1.00 51.30 H new ATOM 0 HB3 ALA A 60 -3.273 15.832 8.534 1.00 51.30 H new ATOM 904 N ALA A 61 -7.230 16.740 8.408 1.00 21.25 N ATOM 905 CA ALA A 61 -7.963 17.658 7.545 1.00 23.32 C ATOM 906 C ALA A 61 -9.384 17.872 8.053 1.00 15.11 C ATOM 907 O ALA A 61 -9.949 17.013 8.732 1.00 52.43 O ATOM 908 CB ALA A 61 -7.984 17.135 6.116 1.00 3.24 C ATOM 0 H ALA A 61 -7.816 16.204 9.048 1.00 21.25 H new ATOM 0 HA ALA A 61 -7.451 18.620 7.561 1.00 23.32 H new ATOM 0 HB1 ALA A 61 -8.535 17.830 5.482 1.00 3.24 H new ATOM 0 HB2 ALA A 61 -6.962 17.040 5.748 1.00 3.24 H new ATOM 0 HB3 ALA A 61 -8.470 16.160 6.093 1.00 3.24 H new ATOM 914 N THR A 62 -9.959 19.024 7.721 1.00 73.10 N ATOM 915 CA THR A 62 -11.315 19.352 8.145 1.00 45.01 C ATOM 916 C THR A 62 -12.125 19.934 6.993 1.00 74.13 C ATOM 917 O THR A 62 -11.567 20.460 6.029 1.00 22.14 O ATOM 918 CB THR A 62 -11.310 20.356 9.313 1.00 12.01 C ATOM 919 OG1 THR A 62 -10.144 21.185 9.243 1.00 75.34 O ATOM 920 CG2 THR A 62 -11.343 19.631 10.650 1.00 20.10 C ATOM 0 H THR A 62 -9.507 19.746 7.160 1.00 73.10 H new ATOM 0 HA THR A 62 -11.777 18.422 8.477 1.00 45.01 H new ATOM 0 HB THR A 62 -12.202 20.977 9.232 1.00 12.01 H new ATOM 0 HG1 THR A 62 -10.150 21.821 9.988 1.00 75.34 H new ATOM 0 HG21 THR A 62 -11.339 20.361 11.460 1.00 20.10 H new ATOM 0 HG22 THR A 62 -12.246 19.024 10.713 1.00 20.10 H new ATOM 0 HG23 THR A 62 -10.467 18.988 10.737 1.00 20.10 H new ATOM 928 N THR A 63 -13.447 19.837 7.097 1.00 13.32 N ATOM 929 CA THR A 63 -14.335 20.354 6.064 1.00 74.25 C ATOM 930 C THR A 63 -14.796 21.770 6.391 1.00 21.53 C ATOM 931 O THR A 63 -14.684 22.222 7.531 1.00 61.01 O ATOM 932 CB THR A 63 -15.572 19.453 5.884 1.00 62.24 C ATOM 933 OG1 THR A 63 -16.324 19.876 4.741 1.00 70.21 O ATOM 934 CG2 THR A 63 -16.455 19.492 7.121 1.00 10.45 C ATOM 0 H THR A 63 -13.926 19.405 7.887 1.00 13.32 H new ATOM 0 HA THR A 63 -13.764 20.366 5.135 1.00 74.25 H new ATOM 0 HB THR A 63 -15.229 18.429 5.734 1.00 62.24 H new ATOM 0 HG1 THR A 63 -17.107 19.297 4.632 1.00 70.21 H new ATOM 0 HG21 THR A 63 -17.322 18.848 6.970 1.00 10.45 H new ATOM 0 HG22 THR A 63 -15.888 19.141 7.984 1.00 10.45 H new ATOM 0 HG23 THR A 63 -16.789 20.514 7.298 1.00 10.45 H new ATOM 942 N LYS A 64 -15.315 22.466 5.386 1.00 71.54 N ATOM 943 CA LYS A 64 -15.795 23.830 5.567 1.00 52.35 C ATOM 944 C LYS A 64 -16.976 23.868 6.532 1.00 45.50 C ATOM 945 O LYS A 64 -17.209 24.874 7.203 1.00 41.35 O ATOM 946 CB LYS A 64 -16.204 24.432 4.220 1.00 34.40 C ATOM 947 CG LYS A 64 -15.176 24.221 3.122 1.00 11.12 C ATOM 948 CD LYS A 64 -13.816 24.770 3.519 1.00 11.23 C ATOM 949 CE LYS A 64 -12.778 23.664 3.627 1.00 70.31 C ATOM 950 NZ LYS A 64 -11.951 23.557 2.393 1.00 75.32 N ATOM 0 H LYS A 64 -15.414 22.107 4.436 1.00 71.54 H new ATOM 0 HA LYS A 64 -14.983 24.421 5.991 1.00 52.35 H new ATOM 0 HB2 LYS A 64 -17.152 23.993 3.908 1.00 34.40 H new ATOM 0 HB3 LYS A 64 -16.374 25.501 4.346 1.00 34.40 H new ATOM 0 HG2 LYS A 64 -15.090 23.157 2.902 1.00 11.12 H new ATOM 0 HG3 LYS A 64 -15.514 24.709 2.208 1.00 11.12 H new ATOM 0 HD2 LYS A 64 -13.490 25.505 2.783 1.00 11.23 H new ATOM 0 HD3 LYS A 64 -13.897 25.289 4.474 1.00 11.23 H new ATOM 0 HE2 LYS A 64 -12.131 23.856 4.483 1.00 70.31 H new ATOM 0 HE3 LYS A 64 -13.278 22.713 3.813 1.00 70.31 H new ATOM 0 HZ1 LYS A 64 -10.967 23.342 2.652 1.00 75.32 H new ATOM 0 HZ2 LYS A 64 -12.324 22.796 1.790 1.00 75.32 H new ATOM 0 HZ3 LYS A 64 -11.984 24.458 1.874 1.00 75.32 H new ATOM 964 N ASP A 65 -17.715 22.767 6.598 1.00 13.14 N ATOM 965 CA ASP A 65 -18.870 22.674 7.484 1.00 31.01 C ATOM 966 C ASP A 65 -18.430 22.466 8.930 1.00 15.41 C ATOM 967 O ASP A 65 -19.173 22.766 9.864 1.00 3.03 O ATOM 968 CB ASP A 65 -19.784 21.529 7.046 1.00 33.55 C ATOM 969 CG ASP A 65 -21.247 21.926 7.039 1.00 33.24 C ATOM 970 OD1 ASP A 65 -21.668 22.624 6.093 1.00 13.22 O ATOM 971 OD2 ASP A 65 -21.972 21.538 7.980 1.00 64.35 O ATOM 0 H ASP A 65 -17.536 21.926 6.049 1.00 13.14 H new ATOM 0 HA ASP A 65 -19.421 23.612 7.422 1.00 31.01 H new ATOM 0 HB2 ASP A 65 -19.495 21.199 6.048 1.00 33.55 H new ATOM 0 HB3 ASP A 65 -19.644 20.680 7.715 1.00 33.55 H new ATOM 976 N GLY A 66 -17.218 21.950 9.107 1.00 41.04 N ATOM 977 CA GLY A 66 -16.701 21.710 10.441 1.00 21.11 C ATOM 978 C GLY A 66 -15.646 20.622 10.467 1.00 31.32 C ATOM 979 O GLY A 66 -14.539 20.806 9.959 1.00 35.01 O ATOM 0 H GLY A 66 -16.585 21.694 8.350 1.00 41.04 H new ATOM 0 HA2 GLY A 66 -16.276 22.633 10.834 1.00 21.11 H new ATOM 0 HA3 GLY A 66 -17.522 21.431 11.101 1.00 21.11 H new ATOM 983 N THR A 67 -15.987 19.483 11.063 1.00 72.15 N ATOM 984 CA THR A 67 -15.061 18.362 11.156 1.00 63.23 C ATOM 985 C THR A 67 -15.047 17.551 9.865 1.00 44.43 C ATOM 986 O THR A 67 -16.097 17.230 9.311 1.00 61.14 O ATOM 987 CB THR A 67 -15.421 17.431 12.329 1.00 74.12 C ATOM 988 OG1 THR A 67 -15.998 18.190 13.397 1.00 4.24 O ATOM 989 CG2 THR A 67 -14.190 16.692 12.831 1.00 34.14 C ATOM 0 H THR A 67 -16.898 19.313 11.488 1.00 72.15 H new ATOM 0 HA THR A 67 -14.071 18.784 11.328 1.00 63.23 H new ATOM 0 HB THR A 67 -16.145 16.697 11.973 1.00 74.12 H new ATOM 0 HG1 THR A 67 -16.226 17.591 14.138 1.00 4.24 H new ATOM 0 HG21 THR A 67 -14.469 16.041 13.659 1.00 34.14 H new ATOM 0 HG22 THR A 67 -13.771 16.092 12.023 1.00 34.14 H new ATOM 0 HG23 THR A 67 -13.446 17.413 13.171 1.00 34.14 H new ATOM 997 N GLY A 68 -13.849 17.223 9.390 1.00 4.12 N ATOM 998 CA GLY A 68 -13.721 16.452 8.168 1.00 42.05 C ATOM 999 C GLY A 68 -12.878 15.206 8.353 1.00 22.03 C ATOM 1000 O GLY A 68 -11.683 15.207 8.057 1.00 43.40 O ATOM 0 H GLY A 68 -12.965 17.478 9.830 1.00 4.12 H new ATOM 0 HA2 GLY A 68 -14.713 16.167 7.817 1.00 42.05 H new ATOM 0 HA3 GLY A 68 -13.276 17.076 7.393 1.00 42.05 H new ATOM 1004 N ILE A 69 -13.500 14.141 8.847 1.00 72.34 N ATOM 1005 CA ILE A 69 -12.799 12.883 9.072 1.00 42.00 C ATOM 1006 C ILE A 69 -12.658 12.092 7.776 1.00 74.11 C ATOM 1007 O ILE A 69 -13.605 11.982 6.999 1.00 74.34 O ATOM 1008 CB ILE A 69 -13.524 12.013 10.115 1.00 33.13 C ATOM 1009 CG1 ILE A 69 -12.647 10.827 10.521 1.00 70.31 C ATOM 1010 CG2 ILE A 69 -14.858 11.529 9.566 1.00 20.01 C ATOM 1011 CD1 ILE A 69 -11.346 11.234 11.177 1.00 34.34 C ATOM 0 H ILE A 69 -14.488 14.124 9.099 1.00 72.34 H new ATOM 0 HA ILE A 69 -11.808 13.137 9.449 1.00 42.00 H new ATOM 0 HB ILE A 69 -13.716 12.618 11.001 1.00 33.13 H new ATOM 0 HG12 ILE A 69 -13.206 10.190 11.206 1.00 70.31 H new ATOM 0 HG13 ILE A 69 -12.427 10.229 9.637 1.00 70.31 H new ATOM 0 HG21 ILE A 69 -15.359 10.915 10.315 1.00 20.01 H new ATOM 0 HG22 ILE A 69 -15.484 12.387 9.323 1.00 20.01 H new ATOM 0 HG23 ILE A 69 -14.688 10.937 8.667 1.00 20.01 H new ATOM 0 HD11 ILE A 69 -10.776 10.343 11.438 1.00 34.34 H new ATOM 0 HD12 ILE A 69 -10.766 11.846 10.486 1.00 34.34 H new ATOM 0 HD13 ILE A 69 -11.557 11.807 12.080 1.00 34.34 H new ATOM 1023 N ASN A 70 -11.470 11.541 7.551 1.00 42.41 N ATOM 1024 CA ASN A 70 -11.205 10.759 6.349 1.00 32.42 C ATOM 1025 C ASN A 70 -11.060 9.278 6.686 1.00 74.54 C ATOM 1026 O ASN A 70 -9.956 8.757 6.845 1.00 33.31 O ATOM 1027 CB ASN A 70 -9.937 11.262 5.656 1.00 33.03 C ATOM 1028 CG ASN A 70 -9.734 12.754 5.835 1.00 14.21 C ATOM 1029 OD1 ASN A 70 -10.185 13.556 5.016 1.00 21.44 O ATOM 1030 ND2 ASN A 70 -9.053 13.134 6.910 1.00 61.13 N ATOM 0 H ASN A 70 -10.675 11.622 8.185 1.00 42.41 H new ATOM 0 HA ASN A 70 -12.052 10.880 5.673 1.00 32.42 H new ATOM 0 HB2 ASN A 70 -9.073 10.730 6.054 1.00 33.03 H new ATOM 0 HB3 ASN A 70 -9.991 11.030 4.592 1.00 33.03 H new ATOM 0 HD21 ASN A 70 -8.885 14.125 7.084 1.00 61.13 H new ATOM 0 HD22 ASN A 70 -8.698 12.435 7.562 1.00 61.13 H new ATOM 1037 N PRO A 71 -12.202 8.582 6.796 1.00 63.51 N ATOM 1038 CA PRO A 71 -12.229 7.151 7.113 1.00 23.41 C ATOM 1039 C PRO A 71 -11.702 6.293 5.968 1.00 64.11 C ATOM 1040 O PRO A 71 -10.857 5.422 6.171 1.00 65.44 O ATOM 1041 CB PRO A 71 -13.714 6.868 7.353 1.00 50.43 C ATOM 1042 CG PRO A 71 -14.429 7.916 6.572 1.00 14.41 C ATOM 1043 CD PRO A 71 -13.554 9.138 6.619 1.00 64.22 C ATOM 0 HA PRO A 71 -11.592 6.911 7.964 1.00 23.41 H new ATOM 0 HB2 PRO A 71 -13.986 5.868 7.016 1.00 50.43 H new ATOM 0 HB3 PRO A 71 -13.962 6.926 8.413 1.00 50.43 H new ATOM 0 HG2 PRO A 71 -14.593 7.593 5.544 1.00 14.41 H new ATOM 0 HG3 PRO A 71 -15.410 8.122 7.001 1.00 14.41 H new ATOM 0 HD2 PRO A 71 -13.631 9.723 5.703 1.00 64.22 H new ATOM 0 HD3 PRO A 71 -13.828 9.797 7.442 1.00 64.22 H new ATOM 1051 N ALA A 72 -12.206 6.546 4.765 1.00 63.05 N ATOM 1052 CA ALA A 72 -11.783 5.798 3.587 1.00 53.43 C ATOM 1053 C ALA A 72 -10.987 6.682 2.632 1.00 75.21 C ATOM 1054 O ALA A 72 -10.131 6.197 1.892 1.00 14.44 O ATOM 1055 CB ALA A 72 -12.991 5.205 2.877 1.00 53.12 C ATOM 0 H ALA A 72 -12.908 7.263 4.580 1.00 63.05 H new ATOM 0 HA ALA A 72 -11.134 4.987 3.916 1.00 53.43 H new ATOM 0 HB1 ALA A 72 -12.661 4.649 1.999 1.00 53.12 H new ATOM 0 HB2 ALA A 72 -13.518 4.533 3.555 1.00 53.12 H new ATOM 0 HB3 ALA A 72 -13.661 6.007 2.567 1.00 53.12 H new ATOM 1061 N GLN A 73 -11.277 7.979 2.653 1.00 25.05 N ATOM 1062 CA GLN A 73 -10.588 8.929 1.788 1.00 41.01 C ATOM 1063 C GLN A 73 -10.727 8.530 0.322 1.00 14.54 C ATOM 1064 O GLN A 73 -9.930 8.939 -0.522 1.00 51.35 O ATOM 1065 CB GLN A 73 -9.108 9.016 2.166 1.00 14.43 C ATOM 1066 CG GLN A 73 -8.843 8.772 3.643 1.00 24.00 C ATOM 1067 CD GLN A 73 -7.600 9.485 4.138 1.00 25.50 C ATOM 1068 OE1 GLN A 73 -6.723 8.875 4.751 1.00 63.53 O ATOM 1069 NE2 GLN A 73 -7.517 10.783 3.874 1.00 2.44 N ATOM 0 H GLN A 73 -11.984 8.396 3.259 1.00 25.05 H new ATOM 0 HA GLN A 73 -11.049 9.907 1.926 1.00 41.01 H new ATOM 0 HB2 GLN A 73 -8.548 8.287 1.580 1.00 14.43 H new ATOM 0 HB3 GLN A 73 -8.730 10.002 1.895 1.00 14.43 H new ATOM 0 HG2 GLN A 73 -9.704 9.105 4.223 1.00 24.00 H new ATOM 0 HG3 GLN A 73 -8.737 7.701 3.817 1.00 24.00 H new ATOM 0 HE21 GLN A 73 -8.267 11.248 3.363 1.00 2.44 H new ATOM 0 HE22 GLN A 73 -6.703 11.315 4.182 1.00 2.44 H new ATOM 1078 N THR A 74 -11.746 7.729 0.026 1.00 30.15 N ATOM 1079 CA THR A 74 -11.989 7.274 -1.336 1.00 73.44 C ATOM 1080 C THR A 74 -12.676 8.355 -2.163 1.00 62.10 C ATOM 1081 O THR A 74 -13.254 9.294 -1.617 1.00 22.14 O ATOM 1082 CB THR A 74 -12.856 6.000 -1.357 1.00 44.10 C ATOM 1083 OG1 THR A 74 -12.577 5.199 -0.203 1.00 41.31 O ATOM 1084 CG2 THR A 74 -12.596 5.189 -2.618 1.00 10.42 C ATOM 0 H THR A 74 -12.416 7.382 0.712 1.00 30.15 H new ATOM 0 HA THR A 74 -11.015 7.050 -1.772 1.00 73.44 H new ATOM 0 HB THR A 74 -13.904 6.300 -1.346 1.00 44.10 H new ATOM 0 HG1 THR A 74 -13.133 4.392 -0.223 1.00 41.31 H new ATOM 0 HG21 THR A 74 -13.219 4.295 -2.610 1.00 10.42 H new ATOM 0 HG22 THR A 74 -12.836 5.791 -3.494 1.00 10.42 H new ATOM 0 HG23 THR A 74 -11.546 4.899 -2.654 1.00 10.42 H new ATOM 1092 N ALA A 75 -12.609 8.216 -3.483 1.00 60.11 N ATOM 1093 CA ALA A 75 -13.227 9.180 -4.385 1.00 21.10 C ATOM 1094 C ALA A 75 -14.738 9.228 -4.185 1.00 41.24 C ATOM 1095 O ALA A 75 -15.337 10.302 -4.164 1.00 51.40 O ATOM 1096 CB ALA A 75 -12.894 8.839 -5.830 1.00 50.30 C ATOM 0 H ALA A 75 -12.133 7.445 -3.951 1.00 60.11 H new ATOM 0 HA ALA A 75 -12.825 10.167 -4.154 1.00 21.10 H new ATOM 0 HB1 ALA A 75 -13.362 9.567 -6.493 1.00 50.30 H new ATOM 0 HB2 ALA A 75 -11.813 8.863 -5.970 1.00 50.30 H new ATOM 0 HB3 ALA A 75 -13.268 7.842 -6.064 1.00 50.30 H new ATOM 1102 N GLY A 76 -15.349 8.056 -4.040 1.00 40.22 N ATOM 1103 CA GLY A 76 -16.785 7.988 -3.845 1.00 74.42 C ATOM 1104 C GLY A 76 -17.220 8.585 -2.522 1.00 20.14 C ATOM 1105 O GLY A 76 -18.263 9.232 -2.438 1.00 4.42 O ATOM 0 H GLY A 76 -14.875 7.153 -4.054 1.00 40.22 H new ATOM 0 HA2 GLY A 76 -17.284 8.514 -4.659 1.00 74.42 H new ATOM 0 HA3 GLY A 76 -17.106 6.948 -3.893 1.00 74.42 H new ATOM 1109 N ASN A 77 -16.419 8.366 -1.484 1.00 31.32 N ATOM 1110 CA ASN A 77 -16.728 8.885 -0.157 1.00 11.53 C ATOM 1111 C ASN A 77 -16.527 10.397 -0.104 1.00 24.11 C ATOM 1112 O ASN A 77 -17.463 11.150 0.163 1.00 51.00 O ATOM 1113 CB ASN A 77 -15.851 8.206 0.897 1.00 72.31 C ATOM 1114 CG ASN A 77 -16.050 6.703 0.932 1.00 32.25 C ATOM 1115 OD1 ASN A 77 -15.890 6.020 -0.080 1.00 14.25 O ATOM 1116 ND2 ASN A 77 -16.401 6.180 2.102 1.00 52.13 N ATOM 0 H ASN A 77 -15.551 7.833 -1.537 1.00 31.32 H new ATOM 0 HA ASN A 77 -17.775 8.667 0.056 1.00 11.53 H new ATOM 0 HB2 ASN A 77 -14.804 8.427 0.691 1.00 72.31 H new ATOM 0 HB3 ASN A 77 -16.078 8.623 1.878 1.00 72.31 H new ATOM 0 HD21 ASN A 77 -16.549 5.174 2.187 1.00 52.13 H new ATOM 0 HD22 ASN A 77 -16.522 6.784 2.915 1.00 52.13 H new ATOM 1123 N VAL A 78 -15.298 10.834 -0.361 1.00 22.01 N ATOM 1124 CA VAL A 78 -14.973 12.255 -0.345 1.00 1.24 C ATOM 1125 C VAL A 78 -15.899 13.041 -1.266 1.00 0.21 C ATOM 1126 O VAL A 78 -16.149 14.227 -1.048 1.00 62.03 O ATOM 1127 CB VAL A 78 -13.513 12.502 -0.770 1.00 12.22 C ATOM 1128 CG1 VAL A 78 -12.558 11.728 0.125 1.00 2.05 C ATOM 1129 CG2 VAL A 78 -13.313 12.125 -2.230 1.00 21.32 C ATOM 0 H VAL A 78 -14.511 10.224 -0.583 1.00 22.01 H new ATOM 0 HA VAL A 78 -15.108 12.599 0.680 1.00 1.24 H new ATOM 0 HB VAL A 78 -13.295 13.564 -0.660 1.00 12.22 H new ATOM 0 HG11 VAL A 78 -11.532 11.915 -0.190 1.00 2.05 H new ATOM 0 HG12 VAL A 78 -12.685 12.052 1.158 1.00 2.05 H new ATOM 0 HG13 VAL A 78 -12.772 10.662 0.050 1.00 2.05 H new ATOM 0 HG21 VAL A 78 -12.276 12.306 -2.514 1.00 21.32 H new ATOM 0 HG22 VAL A 78 -13.549 11.070 -2.369 1.00 21.32 H new ATOM 0 HG23 VAL A 78 -13.971 12.729 -2.855 1.00 21.32 H new ATOM 1139 N PHE A 79 -16.407 12.373 -2.296 1.00 65.41 N ATOM 1140 CA PHE A 79 -17.306 13.009 -3.252 1.00 64.40 C ATOM 1141 C PHE A 79 -18.495 13.646 -2.539 1.00 43.13 C ATOM 1142 O PHE A 79 -18.835 14.802 -2.790 1.00 22.15 O ATOM 1143 CB PHE A 79 -17.800 11.986 -4.278 1.00 4.33 C ATOM 1144 CG PHE A 79 -18.911 12.499 -5.148 1.00 42.53 C ATOM 1145 CD1 PHE A 79 -18.670 13.484 -6.093 1.00 13.11 C ATOM 1146 CD2 PHE A 79 -20.196 11.998 -5.021 1.00 71.45 C ATOM 1147 CE1 PHE A 79 -19.691 13.958 -6.896 1.00 5.41 C ATOM 1148 CE2 PHE A 79 -21.220 12.468 -5.822 1.00 31.41 C ATOM 1149 CZ PHE A 79 -20.967 13.450 -6.759 1.00 54.03 C ATOM 0 H PHE A 79 -16.211 11.391 -2.490 1.00 65.41 H new ATOM 0 HA PHE A 79 -16.752 13.793 -3.768 1.00 64.40 H new ATOM 0 HB2 PHE A 79 -16.964 11.684 -4.910 1.00 4.33 H new ATOM 0 HB3 PHE A 79 -18.142 11.094 -3.754 1.00 4.33 H new ATOM 0 HD1 PHE A 79 -17.674 13.886 -6.203 1.00 13.11 H new ATOM 0 HD2 PHE A 79 -20.400 11.232 -4.288 1.00 71.45 H new ATOM 0 HE1 PHE A 79 -19.490 14.725 -7.630 1.00 5.41 H new ATOM 0 HE2 PHE A 79 -22.217 12.067 -5.715 1.00 31.41 H new ATOM 0 HZ PHE A 79 -21.766 13.820 -7.384 1.00 54.03 H new ATOM 1159 N MET A 80 -19.123 12.883 -1.651 1.00 3.14 N ATOM 1160 CA MET A 80 -20.273 13.373 -0.901 1.00 14.12 C ATOM 1161 C MET A 80 -19.845 13.919 0.458 1.00 61.52 C ATOM 1162 O MET A 80 -20.559 14.709 1.075 1.00 75.14 O ATOM 1163 CB MET A 80 -21.301 12.255 -0.714 1.00 1.14 C ATOM 1164 CG MET A 80 -22.468 12.334 -1.684 1.00 14.13 C ATOM 1165 SD MET A 80 -22.975 10.715 -2.294 1.00 70.12 S ATOM 1166 CE MET A 80 -24.558 10.526 -1.478 1.00 73.34 C ATOM 0 H MET A 80 -18.855 11.923 -1.433 1.00 3.14 H new ATOM 0 HA MET A 80 -20.728 14.183 -1.471 1.00 14.12 H new ATOM 0 HB2 MET A 80 -20.804 11.292 -0.834 1.00 1.14 H new ATOM 0 HB3 MET A 80 -21.684 12.292 0.306 1.00 1.14 H new ATOM 0 HG2 MET A 80 -23.314 12.813 -1.191 1.00 14.13 H new ATOM 0 HG3 MET A 80 -22.192 12.966 -2.528 1.00 14.13 H new ATOM 0 HE1 MET A 80 -24.999 9.569 -1.756 1.00 73.34 H new ATOM 0 HE2 MET A 80 -24.417 10.560 -0.398 1.00 73.34 H new ATOM 0 HE3 MET A 80 -25.223 11.334 -1.783 1.00 73.34 H new ATOM 1176 N LYS A 81 -18.674 13.491 0.919 1.00 14.43 N ATOM 1177 CA LYS A 81 -18.149 13.937 2.205 1.00 55.15 C ATOM 1178 C LYS A 81 -17.820 15.426 2.171 1.00 62.02 C ATOM 1179 O LYS A 81 -18.336 16.204 2.973 1.00 2.23 O ATOM 1180 CB LYS A 81 -16.899 13.135 2.574 1.00 54.32 C ATOM 1181 CG LYS A 81 -16.658 13.040 4.070 1.00 1.14 C ATOM 1182 CD LYS A 81 -17.265 11.775 4.654 1.00 42.22 C ATOM 1183 CE LYS A 81 -16.780 11.528 6.074 1.00 23.00 C ATOM 1184 NZ LYS A 81 -17.793 10.800 6.887 1.00 25.51 N ATOM 0 H LYS A 81 -18.071 12.836 0.421 1.00 14.43 H new ATOM 0 HA LYS A 81 -18.916 13.770 2.961 1.00 55.15 H new ATOM 0 HB2 LYS A 81 -16.989 12.129 2.164 1.00 54.32 H new ATOM 0 HB3 LYS A 81 -16.030 13.595 2.103 1.00 54.32 H new ATOM 0 HG2 LYS A 81 -15.586 13.055 4.268 1.00 1.14 H new ATOM 0 HG3 LYS A 81 -17.086 13.912 4.564 1.00 1.14 H new ATOM 0 HD2 LYS A 81 -18.352 11.856 4.649 1.00 42.22 H new ATOM 0 HD3 LYS A 81 -17.006 10.922 4.026 1.00 42.22 H new ATOM 0 HE2 LYS A 81 -15.855 10.953 6.047 1.00 23.00 H new ATOM 0 HE3 LYS A 81 -16.549 12.481 6.550 1.00 23.00 H new ATOM 0 HZ1 LYS A 81 -17.425 10.651 7.848 1.00 25.51 H new ATOM 0 HZ2 LYS A 81 -18.668 11.360 6.934 1.00 25.51 H new ATOM 0 HZ3 LYS A 81 -17.995 9.880 6.447 1.00 25.51 H new ATOM 1198 N TYR A 82 -16.959 15.816 1.237 1.00 72.50 N ATOM 1199 CA TYR A 82 -16.560 17.211 1.100 1.00 53.24 C ATOM 1200 C TYR A 82 -16.920 17.747 -0.283 1.00 64.10 C ATOM 1201 O TYR A 82 -17.150 18.943 -0.457 1.00 71.35 O ATOM 1202 CB TYR A 82 -15.057 17.360 1.342 1.00 54.23 C ATOM 1203 CG TYR A 82 -14.540 16.508 2.479 1.00 42.43 C ATOM 1204 CD1 TYR A 82 -13.638 15.477 2.245 1.00 13.13 C ATOM 1205 CD2 TYR A 82 -14.953 16.734 3.786 1.00 61.01 C ATOM 1206 CE1 TYR A 82 -13.163 14.696 3.281 1.00 72.31 C ATOM 1207 CE2 TYR A 82 -14.482 15.959 4.828 1.00 60.33 C ATOM 1208 CZ TYR A 82 -13.588 14.941 4.570 1.00 24.32 C ATOM 1209 OH TYR A 82 -13.117 14.165 5.605 1.00 12.20 O ATOM 0 H TYR A 82 -16.524 15.185 0.564 1.00 72.50 H new ATOM 0 HA TYR A 82 -17.100 17.792 1.847 1.00 53.24 H new ATOM 0 HB2 TYR A 82 -14.523 17.096 0.429 1.00 54.23 H new ATOM 0 HB3 TYR A 82 -14.833 18.406 1.552 1.00 54.23 H new ATOM 0 HD1 TYR A 82 -13.303 15.283 1.237 1.00 13.13 H new ATOM 0 HD2 TYR A 82 -15.654 17.529 3.991 1.00 61.01 H new ATOM 0 HE1 TYR A 82 -12.463 13.898 3.083 1.00 72.31 H new ATOM 0 HE2 TYR A 82 -14.812 16.149 5.839 1.00 60.33 H new ATOM 0 HH TYR A 82 -13.731 13.417 5.759 1.00 12.20 H new ATOM 1219 N GLY A 83 -16.966 16.851 -1.264 1.00 61.32 N ATOM 1220 CA GLY A 83 -17.298 17.251 -2.619 1.00 72.31 C ATOM 1221 C GLY A 83 -16.458 18.416 -3.102 1.00 12.50 C ATOM 1222 O GLY A 83 -16.961 19.529 -3.259 1.00 34.54 O ATOM 0 H GLY A 83 -16.779 15.855 -1.145 1.00 61.32 H new ATOM 0 HA2 GLY A 83 -17.157 16.403 -3.289 1.00 72.31 H new ATOM 0 HA3 GLY A 83 -18.352 17.523 -2.666 1.00 72.31 H new ATOM 1226 N GLN A 84 -15.175 18.162 -3.337 1.00 1.15 N ATOM 1227 CA GLN A 84 -14.263 19.201 -3.802 1.00 35.31 C ATOM 1228 C GLN A 84 -14.344 20.435 -2.910 1.00 52.31 C ATOM 1229 O GLN A 84 -14.664 21.528 -3.376 1.00 3.51 O ATOM 1230 CB GLN A 84 -14.585 19.580 -5.249 1.00 2.05 C ATOM 1231 CG GLN A 84 -14.182 18.519 -6.260 1.00 35.55 C ATOM 1232 CD GLN A 84 -15.301 18.178 -7.224 1.00 71.42 C ATOM 1233 OE1 GLN A 84 -15.279 18.583 -8.387 1.00 22.51 O ATOM 1234 NE2 GLN A 84 -16.288 17.429 -6.746 1.00 21.30 N ATOM 0 H GLN A 84 -14.743 17.246 -3.213 1.00 1.15 H new ATOM 0 HA GLN A 84 -13.248 18.807 -3.754 1.00 35.31 H new ATOM 0 HB2 GLN A 84 -15.655 19.766 -5.337 1.00 2.05 H new ATOM 0 HB3 GLN A 84 -14.078 20.514 -5.493 1.00 2.05 H new ATOM 0 HG2 GLN A 84 -13.316 18.869 -6.823 1.00 35.55 H new ATOM 0 HG3 GLN A 84 -13.875 17.617 -5.731 1.00 35.55 H new ATOM 0 HE21 GLN A 84 -16.266 17.115 -5.776 1.00 21.30 H new ATOM 0 HE22 GLN A 84 -17.068 17.168 -7.349 1.00 21.30 H new ATOM 1243 N GLU A 85 -14.053 20.252 -1.626 1.00 44.01 N ATOM 1244 CA GLU A 85 -14.094 21.352 -0.670 1.00 21.24 C ATOM 1245 C GLU A 85 -13.610 20.896 0.704 1.00 13.43 C ATOM 1246 O GLU A 85 -14.402 20.753 1.636 1.00 0.45 O ATOM 1247 CB GLU A 85 -15.514 21.911 -0.563 1.00 10.32 C ATOM 1248 CG GLU A 85 -15.564 23.368 -0.134 1.00 43.22 C ATOM 1249 CD GLU A 85 -16.924 23.774 0.398 1.00 33.42 C ATOM 1250 OE1 GLU A 85 -17.171 24.991 0.528 1.00 54.14 O ATOM 1251 OE2 GLU A 85 -17.742 22.874 0.686 1.00 44.53 O ATOM 0 H GLU A 85 -13.787 19.353 -1.224 1.00 44.01 H new ATOM 0 HA GLU A 85 -13.428 22.137 -1.029 1.00 21.24 H new ATOM 0 HB2 GLU A 85 -16.010 21.808 -1.528 1.00 10.32 H new ATOM 0 HB3 GLU A 85 -16.079 21.311 0.151 1.00 10.32 H new ATOM 0 HG2 GLU A 85 -14.811 23.542 0.634 1.00 43.22 H new ATOM 0 HG3 GLU A 85 -15.306 24.002 -0.983 1.00 43.22 H new ATOM 1258 N ILE A 86 -12.306 20.670 0.821 1.00 52.03 N ATOM 1259 CA ILE A 86 -11.717 20.231 2.080 1.00 41.53 C ATOM 1260 C ILE A 86 -10.343 20.858 2.291 1.00 24.40 C ATOM 1261 O ILE A 86 -9.583 21.048 1.341 1.00 54.42 O ATOM 1262 CB ILE A 86 -11.584 18.698 2.135 1.00 10.12 C ATOM 1263 CG1 ILE A 86 -10.929 18.268 3.449 1.00 1.44 C ATOM 1264 CG2 ILE A 86 -10.780 18.193 0.946 1.00 33.24 C ATOM 1265 CD1 ILE A 86 -10.756 16.771 3.577 1.00 2.11 C ATOM 0 H ILE A 86 -11.637 20.784 0.059 1.00 52.03 H new ATOM 0 HA ILE A 86 -12.389 20.557 2.874 1.00 41.53 H new ATOM 0 HB ILE A 86 -12.581 18.260 2.087 1.00 10.12 H new ATOM 0 HG12 ILE A 86 -9.953 18.747 3.533 1.00 1.44 H new ATOM 0 HG13 ILE A 86 -11.533 18.628 4.282 1.00 1.44 H new ATOM 0 HG21 ILE A 86 -10.695 17.108 0.999 1.00 33.24 H new ATOM 0 HG22 ILE A 86 -11.284 18.473 0.021 1.00 33.24 H new ATOM 0 HG23 ILE A 86 -9.785 18.637 0.965 1.00 33.24 H new ATOM 0 HD11 ILE A 86 -10.286 16.539 4.533 1.00 2.11 H new ATOM 0 HD12 ILE A 86 -11.731 16.286 3.526 1.00 2.11 H new ATOM 0 HD13 ILE A 86 -10.126 16.407 2.765 1.00 2.11 H new ATOM 1277 N ARG A 87 -10.029 21.174 3.543 1.00 23.21 N ATOM 1278 CA ARG A 87 -8.745 21.778 3.880 1.00 73.13 C ATOM 1279 C ARG A 87 -7.877 20.805 4.672 1.00 35.42 C ATOM 1280 O ARG A 87 -8.385 19.997 5.452 1.00 4.32 O ATOM 1281 CB ARG A 87 -8.957 23.061 4.685 1.00 11.12 C ATOM 1282 CG ARG A 87 -8.491 24.316 3.965 1.00 21.03 C ATOM 1283 CD ARG A 87 -6.978 24.460 4.020 1.00 11.44 C ATOM 1284 NE ARG A 87 -6.571 25.801 4.433 1.00 21.22 N ATOM 1285 CZ ARG A 87 -6.565 26.210 5.697 1.00 43.52 C ATOM 1286 NH1 ARG A 87 -6.941 25.388 6.666 1.00 73.42 N ATOM 1287 NH2 ARG A 87 -6.181 27.446 5.993 1.00 23.52 N ATOM 0 H ARG A 87 -10.646 21.022 4.341 1.00 23.21 H new ATOM 0 HA ARG A 87 -8.231 22.021 2.950 1.00 73.13 H new ATOM 0 HB2 ARG A 87 -10.016 23.160 4.922 1.00 11.12 H new ATOM 0 HB3 ARG A 87 -8.425 22.977 5.633 1.00 11.12 H new ATOM 0 HG2 ARG A 87 -8.817 24.283 2.925 1.00 21.03 H new ATOM 0 HG3 ARG A 87 -8.958 25.191 4.417 1.00 21.03 H new ATOM 0 HD2 ARG A 87 -6.569 23.727 4.715 1.00 11.44 H new ATOM 0 HD3 ARG A 87 -6.557 24.239 3.039 1.00 11.44 H new ATOM 0 HE ARG A 87 -6.275 26.459 3.712 1.00 21.22 H new ATOM 0 HH11 ARG A 87 -7.236 24.438 6.443 1.00 73.42 H new ATOM 0 HH12 ARG A 87 -6.935 25.706 7.635 1.00 73.42 H new ATOM 0 HH21 ARG A 87 -5.891 28.082 5.250 1.00 23.52 H new ATOM 0 HH22 ARG A 87 -6.176 27.760 6.963 1.00 23.52 H new ATOM 1301 N LEU A 88 -6.568 20.886 4.467 1.00 44.12 N ATOM 1302 CA LEU A 88 -5.628 20.012 5.162 1.00 54.35 C ATOM 1303 C LEU A 88 -4.892 20.770 6.262 1.00 32.51 C ATOM 1304 O LEU A 88 -4.178 21.736 5.993 1.00 24.41 O ATOM 1305 CB LEU A 88 -4.622 19.423 4.172 1.00 72.43 C ATOM 1306 CG LEU A 88 -4.957 18.037 3.620 1.00 71.43 C ATOM 1307 CD1 LEU A 88 -6.038 18.133 2.554 1.00 43.31 C ATOM 1308 CD2 LEU A 88 -3.710 17.370 3.058 1.00 44.40 C ATOM 0 H LEU A 88 -6.132 21.548 3.825 1.00 44.12 H new ATOM 0 HA LEU A 88 -6.194 19.201 5.621 1.00 54.35 H new ATOM 0 HB2 LEU A 88 -4.522 20.112 3.333 1.00 72.43 H new ATOM 0 HB3 LEU A 88 -3.649 19.372 4.660 1.00 72.43 H new ATOM 0 HG LEU A 88 -5.335 17.424 4.438 1.00 71.43 H new ATOM 0 HD11 LEU A 88 -6.263 17.137 2.173 1.00 43.31 H new ATOM 0 HD12 LEU A 88 -6.939 18.568 2.987 1.00 43.31 H new ATOM 0 HD13 LEU A 88 -5.688 18.763 1.737 1.00 43.31 H new ATOM 0 HD21 LEU A 88 -3.968 16.385 2.670 1.00 44.40 H new ATOM 0 HD22 LEU A 88 -3.302 17.981 2.253 1.00 44.40 H new ATOM 0 HD23 LEU A 88 -2.966 17.265 3.848 1.00 44.40 H new ATOM 1320 N ILE A 89 -5.070 20.323 7.501 1.00 51.21 N ATOM 1321 CA ILE A 89 -4.420 20.957 8.641 1.00 31.23 C ATOM 1322 C ILE A 89 -3.564 19.957 9.411 1.00 11.05 C ATOM 1323 O ILE A 89 -3.989 18.842 9.715 1.00 51.04 O ATOM 1324 CB ILE A 89 -5.450 21.580 9.602 1.00 51.55 C ATOM 1325 CG1 ILE A 89 -6.333 22.583 8.856 1.00 75.22 C ATOM 1326 CG2 ILE A 89 -4.745 22.254 10.770 1.00 74.13 C ATOM 1327 CD1 ILE A 89 -7.548 21.954 8.209 1.00 65.22 C ATOM 0 H ILE A 89 -5.658 19.525 7.740 1.00 51.21 H new ATOM 0 HA ILE A 89 -3.783 21.747 8.242 1.00 31.23 H new ATOM 0 HB ILE A 89 -6.085 20.786 9.995 1.00 51.55 H new ATOM 0 HG12 ILE A 89 -6.661 23.355 9.553 1.00 75.22 H new ATOM 0 HG13 ILE A 89 -5.738 23.078 8.089 1.00 75.22 H new ATOM 0 HG21 ILE A 89 -5.486 22.689 11.440 1.00 74.13 H new ATOM 0 HG22 ILE A 89 -4.154 21.516 11.313 1.00 74.13 H new ATOM 0 HG23 ILE A 89 -4.089 23.040 10.395 1.00 74.13 H new ATOM 0 HD11 ILE A 89 -8.128 22.723 7.698 1.00 65.22 H new ATOM 0 HD12 ILE A 89 -7.228 21.202 7.488 1.00 65.22 H new ATOM 0 HD13 ILE A 89 -8.165 21.483 8.974 1.00 65.22 H new ATOM 1339 N PRO A 90 -2.329 20.364 9.738 1.00 5.12 N ATOM 1340 CA PRO A 90 -1.387 19.520 10.480 1.00 71.13 C ATOM 1341 C PRO A 90 -1.810 19.316 11.931 1.00 43.53 C ATOM 1342 O PRO A 90 -1.321 19.999 12.831 1.00 43.21 O ATOM 1343 CB PRO A 90 -0.075 20.306 10.410 1.00 73.40 C ATOM 1344 CG PRO A 90 -0.492 21.724 10.224 1.00 74.40 C ATOM 1345 CD PRO A 90 -1.756 21.680 9.409 1.00 4.23 C ATOM 0 HA PRO A 90 -1.321 18.516 10.060 1.00 71.13 H new ATOM 0 HB2 PRO A 90 0.510 20.182 11.321 1.00 73.40 H new ATOM 0 HB3 PRO A 90 0.547 19.965 9.583 1.00 73.40 H new ATOM 0 HG2 PRO A 90 -0.664 22.210 11.185 1.00 74.40 H new ATOM 0 HG3 PRO A 90 0.283 22.295 9.712 1.00 74.40 H new ATOM 0 HD2 PRO A 90 -2.434 22.491 9.675 1.00 4.23 H new ATOM 0 HD3 PRO A 90 -1.550 21.773 8.343 1.00 4.23 H new ATOM 1353 N ARG A 91 -2.720 18.374 12.150 1.00 32.44 N ATOM 1354 CA ARG A 91 -3.209 18.081 13.493 1.00 42.35 C ATOM 1355 C ARG A 91 -2.819 16.669 13.917 1.00 22.44 C ATOM 1356 O ARG A 91 -2.499 15.824 13.081 1.00 41.03 O ATOM 1357 CB ARG A 91 -4.729 18.242 13.551 1.00 71.50 C ATOM 1358 CG ARG A 91 -5.232 19.520 12.901 1.00 72.12 C ATOM 1359 CD ARG A 91 -6.656 19.839 13.328 1.00 74.11 C ATOM 1360 NE ARG A 91 -6.715 20.995 14.218 1.00 41.42 N ATOM 1361 CZ ARG A 91 -7.840 21.454 14.754 1.00 34.22 C ATOM 1362 NH1 ARG A 91 -8.995 20.856 14.493 1.00 43.45 N ATOM 1363 NH2 ARG A 91 -7.813 22.512 15.555 1.00 65.42 N ATOM 0 H ARG A 91 -3.134 17.800 11.416 1.00 32.44 H new ATOM 0 HA ARG A 91 -2.749 18.788 14.183 1.00 42.35 H new ATOM 0 HB2 ARG A 91 -5.195 17.387 13.061 1.00 71.50 H new ATOM 0 HB3 ARG A 91 -5.048 18.225 14.593 1.00 71.50 H new ATOM 0 HG2 ARG A 91 -4.576 20.348 13.169 1.00 72.12 H new ATOM 0 HG3 ARG A 91 -5.190 19.419 11.817 1.00 72.12 H new ATOM 0 HD2 ARG A 91 -7.265 20.030 12.444 1.00 74.11 H new ATOM 0 HD3 ARG A 91 -7.086 18.973 13.830 1.00 74.11 H new ATOM 0 HE ARG A 91 -5.844 21.477 14.440 1.00 41.42 H new ATOM 0 HH11 ARG A 91 -9.020 20.042 13.879 1.00 43.45 H new ATOM 0 HH12 ARG A 91 -9.858 21.211 14.906 1.00 43.45 H new ATOM 0 HH21 ARG A 91 -6.927 22.974 15.760 1.00 65.42 H new ATOM 0 HH22 ARG A 91 -8.678 22.863 15.966 1.00 65.42 H new ATOM 1377 N ASP A 92 -2.847 16.420 15.222 1.00 72.20 N ATOM 1378 CA ASP A 92 -2.497 15.110 15.758 1.00 33.33 C ATOM 1379 C ASP A 92 -1.035 14.779 15.474 1.00 13.15 C ATOM 1380 O ASP A 92 -0.709 13.664 15.067 1.00 43.32 O ATOM 1381 CB ASP A 92 -3.402 14.032 15.160 1.00 73.31 C ATOM 1382 CG ASP A 92 -3.786 12.971 16.172 1.00 32.54 C ATOM 1383 OD1 ASP A 92 -3.543 11.776 15.901 1.00 31.34 O ATOM 1384 OD2 ASP A 92 -4.329 13.335 17.236 1.00 20.12 O ATOM 0 H ASP A 92 -3.108 17.108 15.928 1.00 72.20 H new ATOM 0 HA ASP A 92 -2.642 15.137 16.838 1.00 33.33 H new ATOM 0 HB2 ASP A 92 -4.305 14.498 14.766 1.00 73.31 H new ATOM 0 HB3 ASP A 92 -2.894 13.561 14.319 1.00 73.31 H new ATOM 1389 N ARG A 93 -0.160 15.755 15.692 1.00 52.43 N ATOM 1390 CA ARG A 93 1.267 15.569 15.457 1.00 75.20 C ATOM 1391 C ARG A 93 2.086 16.577 16.258 1.00 33.40 C ATOM 1392 O ARG A 93 2.821 16.207 17.173 1.00 22.04 O ATOM 1393 CB ARG A 93 1.582 15.708 13.967 1.00 44.33 C ATOM 1394 CG ARG A 93 3.047 15.481 13.631 1.00 62.44 C ATOM 1395 CD ARG A 93 3.397 16.038 12.260 1.00 64.12 C ATOM 1396 NE ARG A 93 4.533 16.954 12.315 1.00 3.13 N ATOM 1397 CZ ARG A 93 5.794 16.555 12.442 1.00 51.03 C ATOM 1398 NH1 ARG A 93 6.078 15.263 12.525 1.00 65.33 N ATOM 1399 NH2 ARG A 93 6.773 17.449 12.485 1.00 41.43 N ATOM 0 H ARG A 93 -0.414 16.683 16.031 1.00 52.43 H new ATOM 0 HA ARG A 93 1.536 14.565 15.786 1.00 75.20 H new ATOM 0 HB2 ARG A 93 0.975 14.996 13.408 1.00 44.33 H new ATOM 0 HB3 ARG A 93 1.292 16.705 13.634 1.00 44.33 H new ATOM 0 HG2 ARG A 93 3.673 15.954 14.388 1.00 62.44 H new ATOM 0 HG3 ARG A 93 3.266 14.414 13.658 1.00 62.44 H new ATOM 0 HD2 ARG A 93 3.627 15.216 11.583 1.00 64.12 H new ATOM 0 HD3 ARG A 93 2.532 16.558 11.848 1.00 64.12 H new ATOM 0 HE ARG A 93 4.348 17.955 12.252 1.00 3.13 H new ATOM 0 HH11 ARG A 93 5.328 14.573 12.491 1.00 65.33 H new ATOM 0 HH12 ARG A 93 7.047 14.959 12.622 1.00 65.33 H new ATOM 0 HH21 ARG A 93 6.558 18.444 12.421 1.00 41.43 H new ATOM 0 HH22 ARG A 93 7.741 17.141 12.583 1.00 41.43 H new ATOM 1413 N VAL A 94 1.953 17.852 15.907 1.00 64.34 N ATOM 1414 CA VAL A 94 2.680 18.913 16.593 1.00 44.13 C ATOM 1415 C VAL A 94 2.005 19.280 17.909 1.00 31.33 C ATOM 1416 O VAL A 94 2.570 19.084 18.985 1.00 52.35 O ATOM 1417 CB VAL A 94 2.791 20.175 15.716 1.00 30.13 C ATOM 1418 CG1 VAL A 94 3.528 21.278 16.459 1.00 5.42 C ATOM 1419 CG2 VAL A 94 3.484 19.851 14.401 1.00 30.24 C ATOM 0 H VAL A 94 1.349 18.175 15.152 1.00 64.34 H new ATOM 0 HA VAL A 94 3.681 18.531 16.796 1.00 44.13 H new ATOM 0 HB VAL A 94 1.785 20.530 15.492 1.00 30.13 H new ATOM 0 HG11 VAL A 94 3.597 22.161 15.824 1.00 5.42 H new ATOM 0 HG12 VAL A 94 2.985 21.528 17.371 1.00 5.42 H new ATOM 0 HG13 VAL A 94 4.531 20.937 16.716 1.00 5.42 H new ATOM 0 HG21 VAL A 94 3.554 20.754 13.794 1.00 30.24 H new ATOM 0 HG22 VAL A 94 4.486 19.470 14.602 1.00 30.24 H new ATOM 0 HG23 VAL A 94 2.910 19.096 13.864 1.00 30.24 H new ATOM 1429 N GLY A 95 0.790 19.813 17.817 1.00 62.22 N ATOM 1430 CA GLY A 95 0.057 20.198 19.008 1.00 14.21 C ATOM 1431 C GLY A 95 -0.942 21.307 18.741 1.00 44.22 C ATOM 1432 O GLY A 95 -1.526 21.862 19.671 1.00 53.41 O ATOM 0 H GLY A 95 0.301 19.985 16.939 1.00 62.22 H new ATOM 0 HA2 GLY A 95 -0.467 19.329 19.405 1.00 14.21 H new ATOM 0 HA3 GLY A 95 0.760 20.524 19.774 1.00 14.21 H new