USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 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 74 THR OG1 : rot 180:sc= -0.0721 USER MOD Set 1.2: A 77 ASN : amide:sc= -0.261 X(o=-0.33,f=-0.46) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 73 GLN : amide:sc= -1.51 K(o=-1.5,f=-8.1!) 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 48:sc= 0.245 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00864 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= 0.02 X(o=0.02,f=0) USER MOD Single : A 33 SER OG : rot 3:sc= 0.863 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0074 USER MOD Single : A 55 SER OG : rot 180:sc= -0.411 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.227 USER MOD Single : A 63 THR OG1 : rot 86:sc= 0.201 USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= -0.457 (180deg=-1.82!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.57) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -146:sc= -0.786 (180deg=-2.2!) USER MOD Single : A 82 TYR OH : rot 89:sc= -0.132 USER MOD Single : A 84 GLN : amide:sc= -1.42 K(o=-1.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -5.721 5.344 -14.402 1.00 21.45 N ATOM 115 CA ALA A 9 -6.327 6.486 -15.074 1.00 72.33 C ATOM 116 C ALA A 9 -6.772 6.119 -16.486 1.00 21.30 C ATOM 117 O ALA A 9 -6.703 6.939 -17.402 1.00 21.24 O ATOM 118 CB ALA A 9 -5.353 7.654 -15.113 1.00 21.33 C ATOM 0 HA ALA A 9 -7.210 6.782 -14.508 1.00 72.33 H new ATOM 0 HB1 ALA A 9 -5.819 8.500 -15.618 1.00 21.33 H new ATOM 0 HB2 ALA A 9 -5.087 7.940 -14.095 1.00 21.33 H new ATOM 0 HB3 ALA A 9 -4.453 7.360 -15.654 1.00 21.33 H new ATOM 124 N ARG A 10 -7.228 4.882 -16.655 1.00 65.30 N ATOM 125 CA ARG A 10 -7.682 4.406 -17.956 1.00 63.02 C ATOM 126 C ARG A 10 -9.189 4.168 -17.952 1.00 61.12 C ATOM 127 O ARG A 10 -9.853 4.314 -18.978 1.00 52.12 O ATOM 128 CB ARG A 10 -6.952 3.116 -18.334 1.00 62.24 C ATOM 129 CG ARG A 10 -7.312 1.931 -17.453 1.00 1.44 C ATOM 130 CD ARG A 10 -6.110 1.033 -17.209 1.00 23.43 C ATOM 131 NE ARG A 10 -5.751 0.264 -18.398 1.00 4.24 N ATOM 132 CZ ARG A 10 -6.454 -0.771 -18.844 1.00 2.40 C ATOM 133 NH1 ARG A 10 -7.548 -1.158 -18.204 1.00 31.44 N ATOM 134 NH2 ARG A 10 -6.063 -1.420 -19.933 1.00 40.54 N ATOM 0 H ARG A 10 -7.293 4.191 -15.907 1.00 65.30 H new ATOM 0 HA ARG A 10 -7.455 5.174 -18.695 1.00 63.02 H new ATOM 0 HB2 ARG A 10 -7.181 2.870 -19.371 1.00 62.24 H new ATOM 0 HB3 ARG A 10 -5.877 3.287 -18.277 1.00 62.24 H new ATOM 0 HG2 ARG A 10 -7.699 2.290 -16.499 1.00 1.44 H new ATOM 0 HG3 ARG A 10 -8.108 1.355 -17.924 1.00 1.44 H new ATOM 0 HD2 ARG A 10 -5.260 1.641 -16.900 1.00 23.43 H new ATOM 0 HD3 ARG A 10 -6.328 0.350 -16.388 1.00 23.43 H new ATOM 0 HE ARG A 10 -4.915 0.537 -18.914 1.00 4.24 H new ATOM 0 HH11 ARG A 10 -7.852 -0.661 -17.367 1.00 31.44 H new ATOM 0 HH12 ARG A 10 -8.086 -1.953 -18.549 1.00 31.44 H new ATOM 0 HH21 ARG A 10 -5.222 -1.124 -20.429 1.00 40.54 H new ATOM 0 HH22 ARG A 10 -6.603 -2.215 -20.275 1.00 40.54 H new ATOM 148 N SER A 11 -9.722 3.800 -16.791 1.00 64.14 N ATOM 149 CA SER A 11 -11.149 3.537 -16.655 1.00 14.23 C ATOM 150 C SER A 11 -11.965 4.787 -16.974 1.00 63.53 C ATOM 151 O SER A 11 -11.453 5.904 -16.927 1.00 11.32 O ATOM 152 CB SER A 11 -11.468 3.055 -15.238 1.00 5.41 C ATOM 153 OG SER A 11 -11.666 1.653 -15.209 1.00 22.42 O ATOM 0 H SER A 11 -9.187 3.677 -15.931 1.00 64.14 H new ATOM 0 HA SER A 11 -11.418 2.756 -17.366 1.00 14.23 H new ATOM 0 HB2 SER A 11 -10.652 3.324 -14.567 1.00 5.41 H new ATOM 0 HB3 SER A 11 -12.362 3.559 -14.872 1.00 5.41 H new ATOM 0 HG SER A 11 -11.867 1.370 -14.292 1.00 22.42 H new ATOM 159 N GLY A 12 -13.238 4.587 -17.301 1.00 13.35 N ATOM 160 CA GLY A 12 -14.105 5.706 -17.624 1.00 20.54 C ATOM 161 C GLY A 12 -14.510 6.499 -16.397 1.00 22.41 C ATOM 162 O GLY A 12 -15.636 6.379 -15.916 1.00 3.34 O ATOM 0 H GLY A 12 -13.684 3.671 -17.348 1.00 13.35 H new ATOM 0 HA2 GLY A 12 -13.596 6.365 -18.327 1.00 20.54 H new ATOM 0 HA3 GLY A 12 -14.999 5.336 -18.125 1.00 20.54 H new ATOM 166 N GLY A 13 -13.588 7.310 -15.888 1.00 1.42 N ATOM 167 CA GLY A 13 -13.873 8.113 -14.713 1.00 34.22 C ATOM 168 C GLY A 13 -12.710 9.002 -14.322 1.00 11.44 C ATOM 169 O GLY A 13 -11.573 8.542 -14.221 1.00 4.11 O ATOM 0 H GLY A 13 -12.649 7.425 -16.268 1.00 1.42 H new ATOM 0 HA2 GLY A 13 -14.751 8.731 -14.903 1.00 34.22 H new ATOM 0 HA3 GLY A 13 -14.120 7.456 -13.879 1.00 34.22 H new ATOM 173 N LYS A 14 -12.994 10.282 -14.102 1.00 24.22 N ATOM 174 CA LYS A 14 -11.963 11.240 -13.720 1.00 22.30 C ATOM 175 C LYS A 14 -12.512 12.266 -12.735 1.00 12.35 C ATOM 176 O LYS A 14 -13.609 12.795 -12.920 1.00 24.52 O ATOM 177 CB LYS A 14 -11.413 11.950 -14.959 1.00 73.12 C ATOM 178 CG LYS A 14 -10.968 11.000 -16.057 1.00 71.24 C ATOM 179 CD LYS A 14 -10.010 11.675 -17.024 1.00 70.04 C ATOM 180 CE LYS A 14 -8.585 11.179 -16.834 1.00 43.22 C ATOM 181 NZ LYS A 14 -7.593 12.284 -16.954 1.00 22.54 N ATOM 0 H LYS A 14 -13.930 10.680 -14.182 1.00 24.22 H new ATOM 0 HA LYS A 14 -11.155 10.692 -13.234 1.00 22.30 H new ATOM 0 HB2 LYS A 14 -12.179 12.617 -15.355 1.00 73.12 H new ATOM 0 HB3 LYS A 14 -10.569 12.573 -14.665 1.00 73.12 H new ATOM 0 HG2 LYS A 14 -10.485 10.130 -15.613 1.00 71.24 H new ATOM 0 HG3 LYS A 14 -11.840 10.637 -16.601 1.00 71.24 H new ATOM 0 HD2 LYS A 14 -10.330 11.483 -18.048 1.00 70.04 H new ATOM 0 HD3 LYS A 14 -10.043 12.755 -16.877 1.00 70.04 H new ATOM 0 HE2 LYS A 14 -8.491 10.711 -15.854 1.00 43.22 H new ATOM 0 HE3 LYS A 14 -8.365 10.411 -17.576 1.00 43.22 H new ATOM 0 HZ1 LYS A 14 -6.634 11.906 -16.818 1.00 22.54 H new ATOM 0 HZ2 LYS A 14 -7.665 12.714 -17.898 1.00 22.54 H new ATOM 0 HZ3 LYS A 14 -7.787 13.005 -16.229 1.00 22.54 H new ATOM 195 N VAL A 15 -11.743 12.546 -11.687 1.00 64.53 N ATOM 196 CA VAL A 15 -12.151 13.511 -10.674 1.00 73.00 C ATOM 197 C VAL A 15 -11.027 14.493 -10.365 1.00 24.41 C ATOM 198 O VAL A 15 -9.847 14.154 -10.464 1.00 4.14 O ATOM 199 CB VAL A 15 -12.579 12.810 -9.371 1.00 3.02 C ATOM 200 CG1 VAL A 15 -13.176 13.813 -8.396 1.00 3.23 C ATOM 201 CG2 VAL A 15 -13.565 11.690 -9.667 1.00 50.53 C ATOM 0 H VAL A 15 -10.833 12.117 -11.518 1.00 64.53 H new ATOM 0 HA VAL A 15 -13.003 14.056 -11.081 1.00 73.00 H new ATOM 0 HB VAL A 15 -11.695 12.371 -8.908 1.00 3.02 H new ATOM 0 HG11 VAL A 15 -13.472 13.299 -7.482 1.00 3.23 H new ATOM 0 HG12 VAL A 15 -12.435 14.576 -8.159 1.00 3.23 H new ATOM 0 HG13 VAL A 15 -14.050 14.283 -8.847 1.00 3.23 H new ATOM 0 HG21 VAL A 15 -13.856 11.206 -8.735 1.00 50.53 H new ATOM 0 HG22 VAL A 15 -14.449 12.103 -10.153 1.00 50.53 H new ATOM 0 HG23 VAL A 15 -13.097 10.958 -10.325 1.00 50.53 H new ATOM 211 N THR A 16 -11.399 15.712 -9.989 1.00 53.33 N ATOM 212 CA THR A 16 -10.423 16.744 -9.666 1.00 5.41 C ATOM 213 C THR A 16 -10.666 17.315 -8.273 1.00 61.24 C ATOM 214 O THR A 16 -11.723 17.884 -8.001 1.00 0.02 O ATOM 215 CB THR A 16 -10.458 17.893 -10.692 1.00 61.40 C ATOM 216 OG1 THR A 16 -11.798 18.374 -10.842 1.00 51.05 O ATOM 217 CG2 THR A 16 -9.925 17.430 -12.040 1.00 14.50 C ATOM 0 H THR A 16 -12.371 16.009 -9.901 1.00 53.33 H new ATOM 0 HA THR A 16 -9.442 16.270 -9.696 1.00 5.41 H new ATOM 0 HB THR A 16 -9.822 18.699 -10.325 1.00 61.40 H new ATOM 0 HG1 THR A 16 -12.195 18.517 -9.958 1.00 51.05 H new ATOM 0 HG21 THR A 16 -9.959 18.258 -12.749 1.00 14.50 H new ATOM 0 HG22 THR A 16 -8.895 17.091 -11.927 1.00 14.50 H new ATOM 0 HG23 THR A 16 -10.538 16.609 -12.411 1.00 14.50 H new ATOM 225 N PHE A 17 -9.681 17.159 -7.395 1.00 1.21 N ATOM 226 CA PHE A 17 -9.789 17.659 -6.029 1.00 44.02 C ATOM 227 C PHE A 17 -8.804 18.799 -5.788 1.00 41.52 C ATOM 228 O PHE A 17 -7.637 18.718 -6.172 1.00 70.21 O ATOM 229 CB PHE A 17 -9.533 16.530 -5.029 1.00 34.13 C ATOM 230 CG PHE A 17 -10.540 15.418 -5.110 1.00 11.11 C ATOM 231 CD1 PHE A 17 -10.130 14.105 -5.279 1.00 12.50 C ATOM 232 CD2 PHE A 17 -11.896 15.686 -5.018 1.00 34.14 C ATOM 233 CE1 PHE A 17 -11.054 13.080 -5.354 1.00 20.03 C ATOM 234 CE2 PHE A 17 -12.825 14.665 -5.091 1.00 63.42 C ATOM 235 CZ PHE A 17 -12.403 13.360 -5.261 1.00 11.33 C ATOM 0 H PHE A 17 -8.799 16.691 -7.605 1.00 1.21 H new ATOM 0 HA PHE A 17 -10.800 18.039 -5.887 1.00 44.02 H new ATOM 0 HB2 PHE A 17 -8.537 16.121 -5.202 1.00 34.13 H new ATOM 0 HB3 PHE A 17 -9.538 16.941 -4.020 1.00 34.13 H new ATOM 0 HD1 PHE A 17 -9.076 13.880 -5.353 1.00 12.50 H new ATOM 0 HD2 PHE A 17 -12.231 16.704 -4.888 1.00 34.14 H new ATOM 0 HE1 PHE A 17 -10.721 12.061 -5.485 1.00 20.03 H new ATOM 0 HE2 PHE A 17 -13.879 14.887 -5.015 1.00 63.42 H new ATOM 0 HZ PHE A 17 -13.127 12.561 -5.321 1.00 11.33 H new ATOM 245 N ARG A 18 -9.283 19.862 -5.150 1.00 53.34 N ATOM 246 CA ARG A 18 -8.447 21.020 -4.859 1.00 42.45 C ATOM 247 C ARG A 18 -8.220 21.163 -3.357 1.00 43.54 C ATOM 248 O ARG A 18 -9.143 21.483 -2.608 1.00 10.20 O ATOM 249 CB ARG A 18 -9.091 22.293 -5.412 1.00 43.23 C ATOM 250 CG ARG A 18 -10.574 22.409 -5.102 1.00 52.25 C ATOM 251 CD ARG A 18 -11.166 23.686 -5.679 1.00 64.02 C ATOM 252 NE ARG A 18 -11.264 23.635 -7.135 1.00 61.44 N ATOM 253 CZ ARG A 18 -12.249 23.024 -7.784 1.00 61.33 C ATOM 254 NH1 ARG A 18 -13.215 22.416 -7.110 1.00 0.03 N ATOM 255 NH2 ARG A 18 -12.269 23.020 -9.111 1.00 50.31 N ATOM 0 H ARG A 18 -10.246 19.945 -4.825 1.00 53.34 H new ATOM 0 HA ARG A 18 -7.482 20.870 -5.342 1.00 42.45 H new ATOM 0 HB2 ARG A 18 -8.574 23.160 -5.001 1.00 43.23 H new ATOM 0 HB3 ARG A 18 -8.951 22.321 -6.493 1.00 43.23 H new ATOM 0 HG2 ARG A 18 -11.101 21.546 -5.510 1.00 52.25 H new ATOM 0 HG3 ARG A 18 -10.723 22.393 -4.022 1.00 52.25 H new ATOM 0 HD2 ARG A 18 -12.156 23.850 -5.255 1.00 64.02 H new ATOM 0 HD3 ARG A 18 -10.549 24.536 -5.387 1.00 64.02 H new ATOM 0 HE ARG A 18 -10.537 24.093 -7.684 1.00 61.44 H new ATOM 0 HH11 ARG A 18 -13.203 22.416 -6.090 1.00 0.03 H new ATOM 0 HH12 ARG A 18 -13.970 21.948 -7.611 1.00 0.03 H new ATOM 0 HH21 ARG A 18 -11.528 23.486 -9.634 1.00 50.31 H new ATOM 0 HH22 ARG A 18 -13.026 22.551 -9.608 1.00 50.31 H new ATOM 269 N ILE A 19 -6.986 20.924 -2.925 1.00 53.23 N ATOM 270 CA ILE A 19 -6.639 21.027 -1.513 1.00 45.15 C ATOM 271 C ILE A 19 -5.824 22.286 -1.238 1.00 42.33 C ATOM 272 O ILE A 19 -4.851 22.573 -1.936 1.00 64.23 O ATOM 273 CB ILE A 19 -5.840 19.799 -1.040 1.00 23.45 C ATOM 274 CG1 ILE A 19 -4.660 19.536 -1.979 1.00 15.54 C ATOM 275 CG2 ILE A 19 -6.743 18.577 -0.961 1.00 53.15 C ATOM 276 CD1 ILE A 19 -3.786 18.382 -1.543 1.00 22.15 C ATOM 0 H ILE A 19 -6.211 20.658 -3.532 1.00 53.23 H new ATOM 0 HA ILE A 19 -7.577 21.076 -0.960 1.00 45.15 H new ATOM 0 HB ILE A 19 -5.448 20.002 -0.043 1.00 23.45 H new ATOM 0 HG12 ILE A 19 -5.041 19.334 -2.980 1.00 15.54 H new ATOM 0 HG13 ILE A 19 -4.051 20.438 -2.045 1.00 15.54 H new ATOM 0 HG21 ILE A 19 -6.163 17.717 -0.625 1.00 53.15 H new ATOM 0 HG22 ILE A 19 -7.552 18.767 -0.255 1.00 53.15 H new ATOM 0 HG23 ILE A 19 -7.162 18.370 -1.946 1.00 53.15 H new ATOM 0 HD11 ILE A 19 -2.971 18.254 -2.255 1.00 22.15 H new ATOM 0 HD12 ILE A 19 -3.376 18.590 -0.555 1.00 22.15 H new ATOM 0 HD13 ILE A 19 -4.381 17.469 -1.504 1.00 22.15 H new ATOM 288 N ILE A 20 -6.227 23.034 -0.216 1.00 61.43 N ATOM 289 CA ILE A 20 -5.532 24.261 0.153 1.00 73.30 C ATOM 290 C ILE A 20 -4.899 24.140 1.535 1.00 35.51 C ATOM 291 O ILE A 20 -5.580 23.840 2.517 1.00 24.33 O ATOM 292 CB ILE A 20 -6.484 25.472 0.141 1.00 62.33 C ATOM 293 CG1 ILE A 20 -7.085 25.661 -1.253 1.00 51.34 C ATOM 294 CG2 ILE A 20 -5.748 26.728 0.581 1.00 4.13 C ATOM 295 CD1 ILE A 20 -8.328 24.833 -1.493 1.00 13.41 C ATOM 0 H ILE A 20 -7.031 22.812 0.371 1.00 61.43 H new ATOM 0 HA ILE A 20 -4.750 24.416 -0.590 1.00 73.30 H new ATOM 0 HB ILE A 20 -7.296 25.285 0.844 1.00 62.33 H new ATOM 0 HG12 ILE A 20 -7.327 26.714 -1.396 1.00 51.34 H new ATOM 0 HG13 ILE A 20 -6.336 25.402 -2.001 1.00 51.34 H new ATOM 0 HG21 ILE A 20 -6.434 27.575 0.567 1.00 4.13 H new ATOM 0 HG22 ILE A 20 -5.363 26.589 1.591 1.00 4.13 H new ATOM 0 HG23 ILE A 20 -4.919 26.921 -0.100 1.00 4.13 H new ATOM 0 HD11 ILE A 20 -8.699 25.018 -2.501 1.00 13.41 H new ATOM 0 HD12 ILE A 20 -8.088 23.776 -1.383 1.00 13.41 H new ATOM 0 HD13 ILE A 20 -9.094 25.108 -0.768 1.00 13.41 H new ATOM 307 N LEU A 21 -3.594 24.376 1.605 1.00 52.23 N ATOM 308 CA LEU A 21 -2.868 24.296 2.868 1.00 73.34 C ATOM 309 C LEU A 21 -2.676 25.682 3.475 1.00 74.24 C ATOM 310 O LEU A 21 -2.621 26.683 2.760 1.00 41.05 O ATOM 311 CB LEU A 21 -1.509 23.627 2.656 1.00 72.45 C ATOM 312 CG LEU A 21 -1.239 22.375 3.492 1.00 55.05 C ATOM 313 CD1 LEU A 21 0.171 21.862 3.245 1.00 53.01 C ATOM 314 CD2 LEU A 21 -1.452 22.665 4.970 1.00 14.21 C ATOM 0 H LEU A 21 -3.016 24.624 0.802 1.00 52.23 H new ATOM 0 HA LEU A 21 -3.458 23.695 3.560 1.00 73.34 H new ATOM 0 HB2 LEU A 21 -1.417 23.363 1.603 1.00 72.45 H new ATOM 0 HB3 LEU A 21 -0.729 24.358 2.871 1.00 72.45 H new ATOM 0 HG LEU A 21 -1.943 21.600 3.189 1.00 55.05 H new ATOM 0 HD11 LEU A 21 0.345 20.971 3.848 1.00 53.01 H new ATOM 0 HD12 LEU A 21 0.289 21.615 2.190 1.00 53.01 H new ATOM 0 HD13 LEU A 21 0.892 22.632 3.519 1.00 53.01 H new ATOM 0 HD21 LEU A 21 -1.256 21.763 5.550 1.00 14.21 H new ATOM 0 HD22 LEU A 21 -0.772 23.456 5.287 1.00 14.21 H new ATOM 0 HD23 LEU A 21 -2.481 22.984 5.133 1.00 14.21 H new ATOM 326 N THR A 22 -2.573 25.733 4.799 1.00 12.21 N ATOM 327 CA THR A 22 -2.386 26.996 5.503 1.00 71.23 C ATOM 328 C THR A 22 -0.906 27.302 5.699 1.00 23.54 C ATOM 329 O THR A 22 -0.519 28.457 5.873 1.00 25.00 O ATOM 330 CB THR A 22 -3.083 26.982 6.876 1.00 23.14 C ATOM 331 OG1 THR A 22 -2.797 25.756 7.558 1.00 22.43 O ATOM 332 CG2 THR A 22 -4.587 27.143 6.722 1.00 55.02 C ATOM 0 H THR A 22 -2.616 24.914 5.406 1.00 12.21 H new ATOM 0 HA THR A 22 -2.835 27.773 4.884 1.00 71.23 H new ATOM 0 HB THR A 22 -2.702 27.820 7.460 1.00 23.14 H new ATOM 0 HG1 THR A 22 -3.242 25.756 8.431 1.00 22.43 H new ATOM 0 HG21 THR A 22 -5.057 27.130 7.705 1.00 55.02 H new ATOM 0 HG22 THR A 22 -4.803 28.091 6.229 1.00 55.02 H new ATOM 0 HG23 THR A 22 -4.981 26.324 6.121 1.00 55.02 H new ATOM 340 N SER A 23 -0.082 26.259 5.670 1.00 21.23 N ATOM 341 CA SER A 23 1.357 26.416 5.849 1.00 52.14 C ATOM 342 C SER A 23 2.055 26.588 4.503 1.00 4.12 C ATOM 343 O SER A 23 3.204 27.026 4.440 1.00 15.12 O ATOM 344 CB SER A 23 1.936 25.207 6.586 1.00 51.11 C ATOM 345 OG SER A 23 2.941 25.603 7.504 1.00 74.44 O ATOM 0 H SER A 23 -0.386 25.296 5.524 1.00 21.23 H new ATOM 0 HA SER A 23 1.529 27.312 6.446 1.00 52.14 H new ATOM 0 HB2 SER A 23 1.140 24.685 7.116 1.00 51.11 H new ATOM 0 HB3 SER A 23 2.354 24.504 5.866 1.00 51.11 H new ATOM 0 HG SER A 23 3.294 24.813 7.963 1.00 74.44 H new ATOM 351 N GLU A 24 1.353 26.240 3.430 1.00 72.42 N ATOM 352 CA GLU A 24 1.906 26.355 2.085 1.00 34.54 C ATOM 353 C GLU A 24 1.483 27.668 1.434 1.00 72.03 C ATOM 354 O GLU A 24 0.870 27.674 0.366 1.00 15.33 O ATOM 355 CB GLU A 24 1.454 25.175 1.222 1.00 53.24 C ATOM 356 CG GLU A 24 2.275 24.998 -0.044 1.00 64.40 C ATOM 357 CD GLU A 24 1.494 25.336 -1.299 1.00 24.00 C ATOM 358 OE1 GLU A 24 0.281 25.041 -1.340 1.00 4.24 O ATOM 359 OE2 GLU A 24 2.096 25.895 -2.240 1.00 35.20 O ATOM 0 H GLU A 24 0.401 25.876 3.465 1.00 72.42 H new ATOM 0 HA GLU A 24 2.993 26.343 2.164 1.00 34.54 H new ATOM 0 HB2 GLU A 24 1.511 24.261 1.813 1.00 53.24 H new ATOM 0 HB3 GLU A 24 0.408 25.314 0.950 1.00 53.24 H new ATOM 0 HG2 GLU A 24 3.160 25.632 0.010 1.00 64.40 H new ATOM 0 HG3 GLU A 24 2.624 23.967 -0.105 1.00 64.40 H new ATOM 366 N ARG A 25 1.815 28.778 2.084 1.00 12.23 N ATOM 367 CA ARG A 25 1.468 30.098 1.570 1.00 65.31 C ATOM 368 C ARG A 25 2.175 30.367 0.245 1.00 45.51 C ATOM 369 O ARG A 25 1.797 31.272 -0.499 1.00 73.24 O ATOM 370 CB ARG A 25 1.839 31.178 2.587 1.00 10.52 C ATOM 371 CG ARG A 25 3.336 31.312 2.817 1.00 74.54 C ATOM 372 CD ARG A 25 3.644 32.329 3.904 1.00 43.35 C ATOM 373 NE ARG A 25 4.222 31.704 5.090 1.00 11.34 N ATOM 374 CZ ARG A 25 5.454 31.211 5.135 1.00 22.50 C ATOM 375 NH1 ARG A 25 6.235 31.269 4.065 1.00 55.13 N ATOM 376 NH2 ARG A 25 5.909 30.657 6.252 1.00 15.12 N ATOM 0 H ARG A 25 2.324 28.790 2.968 1.00 12.23 H new ATOM 0 HA ARG A 25 0.392 30.124 1.400 1.00 65.31 H new ATOM 0 HB2 ARG A 25 1.445 32.136 2.247 1.00 10.52 H new ATOM 0 HB3 ARG A 25 1.353 30.953 3.536 1.00 10.52 H new ATOM 0 HG2 ARG A 25 3.750 30.343 3.096 1.00 74.54 H new ATOM 0 HG3 ARG A 25 3.822 31.612 1.889 1.00 74.54 H new ATOM 0 HD2 ARG A 25 4.335 33.077 3.515 1.00 43.35 H new ATOM 0 HD3 ARG A 25 2.729 32.853 4.180 1.00 43.35 H new ATOM 0 HE ARG A 25 3.648 31.643 5.931 1.00 11.34 H new ATOM 0 HH11 ARG A 25 5.890 31.693 3.204 1.00 55.13 H new ATOM 0 HH12 ARG A 25 7.181 30.889 4.103 1.00 55.13 H new ATOM 0 HH21 ARG A 25 5.312 30.609 7.078 1.00 15.12 H new ATOM 0 HH22 ARG A 25 6.856 30.279 6.285 1.00 15.12 H new ATOM 390 N SER A 26 3.205 29.577 -0.042 1.00 53.04 N ATOM 391 CA SER A 26 3.968 29.733 -1.275 1.00 54.13 C ATOM 392 C SER A 26 3.063 29.592 -2.496 1.00 13.54 C ATOM 393 O SER A 26 3.277 30.243 -3.518 1.00 12.42 O ATOM 394 CB SER A 26 5.092 28.698 -1.338 1.00 45.25 C ATOM 395 OG SER A 26 6.362 29.318 -1.228 1.00 62.43 O ATOM 0 H SER A 26 3.530 28.823 0.563 1.00 53.04 H new ATOM 0 HA SER A 26 4.403 30.733 -1.280 1.00 54.13 H new ATOM 0 HB2 SER A 26 4.967 27.972 -0.535 1.00 45.25 H new ATOM 0 HB3 SER A 26 5.032 28.148 -2.277 1.00 45.25 H new ATOM 0 HG SER A 26 7.064 28.635 -1.269 1.00 62.43 H new ATOM 401 N GLN A 27 2.051 28.738 -2.379 1.00 65.11 N ATOM 402 CA GLN A 27 1.114 28.511 -3.473 1.00 21.23 C ATOM 403 C GLN A 27 -0.002 27.564 -3.045 1.00 72.30 C ATOM 404 O GLN A 27 -0.105 26.432 -3.518 1.00 65.24 O ATOM 405 CB GLN A 27 1.845 27.940 -4.689 1.00 23.00 C ATOM 406 CG GLN A 27 1.193 28.298 -6.014 1.00 51.25 C ATOM 407 CD GLN A 27 2.107 29.104 -6.916 1.00 62.11 C ATOM 408 OE1 GLN A 27 2.452 28.671 -8.016 1.00 4.00 O ATOM 409 NE2 GLN A 27 2.505 30.284 -6.454 1.00 70.33 N ATOM 0 H GLN A 27 1.859 28.193 -1.539 1.00 65.11 H new ATOM 0 HA GLN A 27 0.670 29.469 -3.742 1.00 21.23 H new ATOM 0 HB2 GLN A 27 2.872 28.304 -4.689 1.00 23.00 H new ATOM 0 HB3 GLN A 27 1.892 26.855 -4.598 1.00 23.00 H new ATOM 0 HG2 GLN A 27 0.897 27.383 -6.527 1.00 51.25 H new ATOM 0 HG3 GLN A 27 0.282 28.866 -5.825 1.00 51.25 H new ATOM 0 HE21 GLN A 27 2.195 30.604 -5.536 1.00 70.33 H new ATOM 0 HE22 GLN A 27 3.121 30.871 -7.017 1.00 70.33 H new ATOM 418 N PRO A 28 -0.860 28.035 -2.128 1.00 2.03 N ATOM 419 CA PRO A 28 -1.984 27.246 -1.616 1.00 73.01 C ATOM 420 C PRO A 28 -3.070 27.036 -2.666 1.00 31.41 C ATOM 421 O PRO A 28 -4.109 27.696 -2.640 1.00 31.43 O ATOM 422 CB PRO A 28 -2.516 28.095 -0.459 1.00 54.52 C ATOM 423 CG PRO A 28 -2.110 29.489 -0.795 1.00 14.05 C ATOM 424 CD PRO A 28 -0.798 29.375 -1.520 1.00 31.21 C ATOM 0 HA PRO A 28 -1.677 26.243 -1.320 1.00 73.01 H new ATOM 0 HB2 PRO A 28 -3.599 28.009 -0.370 1.00 54.52 H new ATOM 0 HB3 PRO A 28 -2.091 27.777 0.493 1.00 54.52 H new ATOM 0 HG2 PRO A 28 -2.860 29.974 -1.420 1.00 14.05 H new ATOM 0 HG3 PRO A 28 -2.007 30.093 0.106 1.00 14.05 H new ATOM 0 HD2 PRO A 28 -0.687 30.154 -2.274 1.00 31.21 H new ATOM 0 HD3 PRO A 28 0.047 29.468 -0.838 1.00 31.21 H new ATOM 432 N PHE A 29 -2.823 26.112 -3.589 1.00 11.10 N ATOM 433 CA PHE A 29 -3.780 25.815 -4.649 1.00 11.25 C ATOM 434 C PHE A 29 -3.287 24.663 -5.519 1.00 55.02 C ATOM 435 O PHE A 29 -3.136 24.809 -6.732 1.00 65.52 O ATOM 436 CB PHE A 29 -4.019 27.056 -5.512 1.00 23.23 C ATOM 437 CG PHE A 29 -5.399 27.120 -6.101 1.00 1.03 C ATOM 438 CD1 PHE A 29 -5.615 26.796 -7.430 1.00 61.23 C ATOM 439 CD2 PHE A 29 -6.480 27.505 -5.325 1.00 13.13 C ATOM 440 CE1 PHE A 29 -6.884 26.853 -7.975 1.00 42.44 C ATOM 441 CE2 PHE A 29 -7.751 27.564 -5.864 1.00 54.10 C ATOM 442 CZ PHE A 29 -7.953 27.239 -7.191 1.00 52.22 C ATOM 0 H PHE A 29 -1.969 25.556 -3.624 1.00 11.10 H new ATOM 0 HA PHE A 29 -4.720 25.519 -4.184 1.00 11.25 H new ATOM 0 HB2 PHE A 29 -3.849 27.947 -4.908 1.00 23.23 H new ATOM 0 HB3 PHE A 29 -3.287 27.074 -6.319 1.00 23.23 H new ATOM 0 HD1 PHE A 29 -4.782 26.495 -8.048 1.00 61.23 H new ATOM 0 HD2 PHE A 29 -6.328 27.762 -4.287 1.00 13.13 H new ATOM 0 HE1 PHE A 29 -7.039 26.596 -9.012 1.00 42.44 H new ATOM 0 HE2 PHE A 29 -8.586 27.864 -5.248 1.00 54.10 H new ATOM 0 HZ PHE A 29 -8.945 27.287 -7.615 1.00 52.22 H new ATOM 452 N ARG A 30 -3.039 23.519 -4.891 1.00 33.43 N ATOM 453 CA ARG A 30 -2.562 22.342 -5.607 1.00 31.32 C ATOM 454 C ARG A 30 -3.727 21.444 -6.015 1.00 42.41 C ATOM 455 O ARG A 30 -4.433 20.901 -5.166 1.00 30.12 O ATOM 456 CB ARG A 30 -1.578 21.555 -4.739 1.00 70.22 C ATOM 457 CG ARG A 30 -0.134 22.000 -4.899 1.00 43.53 C ATOM 458 CD ARG A 30 0.376 21.742 -6.308 1.00 61.35 C ATOM 459 NE ARG A 30 1.833 21.809 -6.384 1.00 60.53 N ATOM 460 CZ ARG A 30 2.515 22.947 -6.431 1.00 40.53 C ATOM 461 NH1 ARG A 30 1.875 24.109 -6.410 1.00 22.51 N ATOM 462 NH2 ARG A 30 3.840 22.926 -6.499 1.00 40.54 N ATOM 0 H ARG A 30 -3.160 23.382 -3.888 1.00 33.43 H new ATOM 0 HA ARG A 30 -2.052 22.679 -6.509 1.00 31.32 H new ATOM 0 HB2 ARG A 30 -1.867 21.657 -3.693 1.00 70.22 H new ATOM 0 HB3 ARG A 30 -1.653 20.497 -4.988 1.00 70.22 H new ATOM 0 HG2 ARG A 30 -0.052 23.063 -4.670 1.00 43.53 H new ATOM 0 HG3 ARG A 30 0.493 21.470 -4.181 1.00 43.53 H new ATOM 0 HD2 ARG A 30 0.041 20.760 -6.641 1.00 61.35 H new ATOM 0 HD3 ARG A 30 -0.057 22.474 -6.990 1.00 61.35 H new ATOM 0 HE ARG A 30 2.355 20.933 -6.402 1.00 60.53 H new ATOM 0 HH11 ARG A 30 0.857 24.129 -6.358 1.00 22.51 H new ATOM 0 HH12 ARG A 30 2.401 24.982 -6.446 1.00 22.51 H new ATOM 0 HH21 ARG A 30 4.336 22.035 -6.515 1.00 40.54 H new ATOM 0 HH22 ARG A 30 4.363 23.801 -6.535 1.00 40.54 H new ATOM 476 N VAL A 31 -3.922 21.294 -7.321 1.00 42.45 N ATOM 477 CA VAL A 31 -5.000 20.463 -7.843 1.00 30.00 C ATOM 478 C VAL A 31 -4.492 19.075 -8.216 1.00 72.14 C ATOM 479 O VAL A 31 -3.426 18.934 -8.817 1.00 33.33 O ATOM 480 CB VAL A 31 -5.658 21.107 -9.078 1.00 62.51 C ATOM 481 CG1 VAL A 31 -4.630 21.326 -10.178 1.00 23.45 C ATOM 482 CG2 VAL A 31 -6.809 20.246 -9.577 1.00 40.31 C ATOM 0 H VAL A 31 -3.347 21.737 -8.037 1.00 42.45 H new ATOM 0 HA VAL A 31 -5.743 20.374 -7.051 1.00 30.00 H new ATOM 0 HB VAL A 31 -6.059 22.079 -8.790 1.00 62.51 H new ATOM 0 HG11 VAL A 31 -5.113 21.782 -11.042 1.00 23.45 H new ATOM 0 HG12 VAL A 31 -3.842 21.985 -9.814 1.00 23.45 H new ATOM 0 HG13 VAL A 31 -4.197 20.368 -10.467 1.00 23.45 H new ATOM 0 HG21 VAL A 31 -7.263 20.715 -10.450 1.00 40.31 H new ATOM 0 HG22 VAL A 31 -6.434 19.259 -9.849 1.00 40.31 H new ATOM 0 HG23 VAL A 31 -7.556 20.145 -8.790 1.00 40.31 H new ATOM 492 N ILE A 32 -5.262 18.053 -7.858 1.00 11.11 N ATOM 493 CA ILE A 32 -4.891 16.676 -8.157 1.00 63.40 C ATOM 494 C ILE A 32 -6.002 15.959 -8.917 1.00 42.42 C ATOM 495 O ILE A 32 -7.158 15.961 -8.494 1.00 61.53 O ATOM 496 CB ILE A 32 -4.572 15.887 -6.873 1.00 43.11 C ATOM 497 CG1 ILE A 32 -5.786 15.872 -5.943 1.00 11.35 C ATOM 498 CG2 ILE A 32 -3.365 16.488 -6.168 1.00 42.44 C ATOM 499 CD1 ILE A 32 -6.581 14.587 -6.007 1.00 53.22 C ATOM 0 H ILE A 32 -6.147 18.153 -7.360 1.00 11.11 H new ATOM 0 HA ILE A 32 -3.997 16.719 -8.779 1.00 63.40 H new ATOM 0 HB ILE A 32 -4.334 14.859 -7.146 1.00 43.11 H new ATOM 0 HG12 ILE A 32 -5.450 16.031 -4.918 1.00 11.35 H new ATOM 0 HG13 ILE A 32 -6.439 16.707 -6.198 1.00 11.35 H new ATOM 0 HG21 ILE A 32 -3.152 15.920 -5.263 1.00 42.44 H new ATOM 0 HG22 ILE A 32 -2.501 16.451 -6.831 1.00 42.44 H new ATOM 0 HG23 ILE A 32 -3.576 17.524 -5.904 1.00 42.44 H new ATOM 0 HD11 ILE A 32 -7.426 14.648 -5.322 1.00 53.22 H new ATOM 0 HD12 ILE A 32 -6.947 14.436 -7.022 1.00 53.22 H new ATOM 0 HD13 ILE A 32 -5.943 13.750 -5.723 1.00 53.22 H new ATOM 511 N SER A 33 -5.643 15.347 -10.041 1.00 21.11 N ATOM 512 CA SER A 33 -6.610 14.628 -10.862 1.00 21.31 C ATOM 513 C SER A 33 -6.498 13.122 -10.639 1.00 54.44 C ATOM 514 O SER A 33 -5.439 12.530 -10.848 1.00 53.04 O ATOM 515 CB SER A 33 -6.397 14.953 -12.341 1.00 44.25 C ATOM 516 OG SER A 33 -5.305 14.222 -12.872 1.00 73.44 O ATOM 0 H SER A 33 -4.690 15.335 -10.404 1.00 21.11 H new ATOM 0 HA SER A 33 -7.609 14.949 -10.568 1.00 21.31 H new ATOM 0 HB2 SER A 33 -7.302 14.719 -12.902 1.00 44.25 H new ATOM 0 HB3 SER A 33 -6.215 16.021 -12.459 1.00 44.25 H new ATOM 0 HG SER A 33 -4.948 13.621 -12.185 1.00 73.44 H new ATOM 522 N ILE A 34 -7.599 12.511 -10.214 1.00 64.44 N ATOM 523 CA ILE A 34 -7.625 11.075 -9.964 1.00 74.24 C ATOM 524 C ILE A 34 -9.002 10.491 -10.263 1.00 20.52 C ATOM 525 O ILE A 34 -10.023 11.144 -10.055 1.00 15.45 O ATOM 526 CB ILE A 34 -7.247 10.750 -8.507 1.00 72.12 C ATOM 527 CG1 ILE A 34 -7.108 9.238 -8.318 1.00 72.14 C ATOM 528 CG2 ILE A 34 -8.287 11.315 -7.551 1.00 51.24 C ATOM 529 CD1 ILE A 34 -6.044 8.615 -9.194 1.00 60.14 C ATOM 0 H ILE A 34 -8.483 12.987 -10.036 1.00 64.44 H new ATOM 0 HA ILE A 34 -6.889 10.625 -10.630 1.00 74.24 H new ATOM 0 HB ILE A 34 -6.287 11.215 -8.284 1.00 72.12 H new ATOM 0 HG12 ILE A 34 -6.875 9.030 -7.274 1.00 72.14 H new ATOM 0 HG13 ILE A 34 -8.066 8.764 -8.531 1.00 72.14 H new ATOM 0 HG21 ILE A 34 -8.006 11.077 -6.525 1.00 51.24 H new ATOM 0 HG22 ILE A 34 -8.341 12.397 -7.671 1.00 51.24 H new ATOM 0 HG23 ILE A 34 -9.260 10.876 -7.771 1.00 51.24 H new ATOM 0 HD11 ILE A 34 -6.001 7.542 -9.007 1.00 60.14 H new ATOM 0 HD12 ILE A 34 -6.286 8.791 -10.242 1.00 60.14 H new ATOM 0 HD13 ILE A 34 -5.077 9.062 -8.965 1.00 60.14 H new ATOM 541 N ALA A 35 -9.021 9.254 -10.750 1.00 50.44 N ATOM 542 CA ALA A 35 -10.272 8.580 -11.074 1.00 31.12 C ATOM 543 C ALA A 35 -11.188 8.508 -9.857 1.00 2.44 C ATOM 544 O ALA A 35 -10.722 8.382 -8.725 1.00 25.20 O ATOM 545 CB ALA A 35 -9.995 7.184 -11.611 1.00 73.42 C ATOM 0 H ALA A 35 -8.184 8.699 -10.929 1.00 50.44 H new ATOM 0 HA ALA A 35 -10.780 9.160 -11.845 1.00 31.12 H new ATOM 0 HB1 ALA A 35 -10.938 6.692 -11.849 1.00 73.42 H new ATOM 0 HB2 ALA A 35 -9.385 7.255 -12.512 1.00 73.42 H new ATOM 0 HB3 ALA A 35 -9.463 6.603 -10.858 1.00 73.42 H new ATOM 551 N GLU A 36 -12.493 8.591 -10.098 1.00 4.34 N ATOM 552 CA GLU A 36 -13.473 8.537 -9.019 1.00 42.44 C ATOM 553 C GLU A 36 -13.387 7.210 -8.272 1.00 74.53 C ATOM 554 O GLU A 36 -13.800 7.108 -7.118 1.00 11.34 O ATOM 555 CB GLU A 36 -14.885 8.733 -9.574 1.00 53.30 C ATOM 556 CG GLU A 36 -15.888 9.205 -8.534 1.00 44.11 C ATOM 557 CD GLU A 36 -16.973 10.082 -9.126 1.00 54.43 C ATOM 558 OE1 GLU A 36 -18.162 9.832 -8.836 1.00 20.32 O ATOM 559 OE2 GLU A 36 -16.635 11.019 -9.880 1.00 32.21 O ATOM 0 H GLU A 36 -12.896 8.696 -11.029 1.00 4.34 H new ATOM 0 HA GLU A 36 -13.250 9.342 -8.319 1.00 42.44 H new ATOM 0 HB2 GLU A 36 -14.849 9.458 -10.387 1.00 53.30 H new ATOM 0 HB3 GLU A 36 -15.232 7.792 -10.001 1.00 53.30 H new ATOM 0 HG2 GLU A 36 -16.346 8.339 -8.057 1.00 44.11 H new ATOM 0 HG3 GLU A 36 -15.364 9.758 -7.754 1.00 44.11 H new ATOM 566 N GLU A 37 -12.849 6.194 -8.941 1.00 55.42 N ATOM 567 CA GLU A 37 -12.711 4.873 -8.341 1.00 75.41 C ATOM 568 C GLU A 37 -11.244 4.543 -8.082 1.00 12.43 C ATOM 569 O GLU A 37 -10.917 3.465 -7.586 1.00 52.35 O ATOM 570 CB GLU A 37 -13.331 3.809 -9.249 1.00 74.43 C ATOM 571 CG GLU A 37 -14.597 3.187 -8.683 1.00 1.03 C ATOM 572 CD GLU A 37 -15.339 2.343 -9.701 1.00 42.30 C ATOM 573 OE1 GLU A 37 -15.837 2.914 -10.694 1.00 1.42 O ATOM 574 OE2 GLU A 37 -15.422 1.113 -9.505 1.00 63.24 O ATOM 0 H GLU A 37 -12.502 6.261 -9.898 1.00 55.42 H new ATOM 0 HA GLU A 37 -13.238 4.879 -7.387 1.00 75.41 H new ATOM 0 HB2 GLU A 37 -13.558 4.257 -10.217 1.00 74.43 H new ATOM 0 HB3 GLU A 37 -12.598 3.022 -9.426 1.00 74.43 H new ATOM 0 HG2 GLU A 37 -14.340 2.569 -7.823 1.00 1.03 H new ATOM 0 HG3 GLU A 37 -15.256 3.977 -8.323 1.00 1.03 H new ATOM 581 N ALA A 38 -10.365 5.480 -8.421 1.00 2.44 N ATOM 582 CA ALA A 38 -8.933 5.291 -8.224 1.00 0.35 C ATOM 583 C ALA A 38 -8.521 5.660 -6.802 1.00 51.13 C ATOM 584 O ALA A 38 -9.192 6.432 -6.116 1.00 61.43 O ATOM 585 CB ALA A 38 -8.148 6.115 -9.233 1.00 41.43 C ATOM 0 H ALA A 38 -10.619 6.378 -8.833 1.00 2.44 H new ATOM 0 HA ALA A 38 -8.706 4.236 -8.378 1.00 0.35 H new ATOM 0 HB1 ALA A 38 -7.080 5.964 -9.074 1.00 41.43 H new ATOM 0 HB2 ALA A 38 -8.412 5.802 -10.243 1.00 41.43 H new ATOM 0 HB3 ALA A 38 -8.388 7.171 -9.106 1.00 41.43 H new ATOM 591 N PRO A 39 -7.392 5.097 -6.348 1.00 30.44 N ATOM 592 CA PRO A 39 -6.866 5.352 -5.003 1.00 63.34 C ATOM 593 C PRO A 39 -6.335 6.773 -4.849 1.00 23.32 C ATOM 594 O PRO A 39 -5.761 7.337 -5.781 1.00 50.04 O ATOM 595 CB PRO A 39 -5.727 4.338 -4.870 1.00 62.21 C ATOM 596 CG PRO A 39 -5.300 4.062 -6.270 1.00 64.33 C ATOM 597 CD PRO A 39 -6.542 4.167 -7.111 1.00 0.52 C ATOM 0 HA PRO A 39 -7.636 5.252 -4.238 1.00 63.34 H new ATOM 0 HB2 PRO A 39 -4.905 4.741 -4.278 1.00 62.21 H new ATOM 0 HB3 PRO A 39 -6.063 3.428 -4.372 1.00 62.21 H new ATOM 0 HG2 PRO A 39 -4.546 4.779 -6.596 1.00 64.33 H new ATOM 0 HG3 PRO A 39 -4.855 3.071 -6.354 1.00 64.33 H new ATOM 0 HD2 PRO A 39 -6.322 4.549 -8.108 1.00 0.52 H new ATOM 0 HD3 PRO A 39 -7.023 3.197 -7.241 1.00 0.52 H new ATOM 605 N LEU A 40 -6.529 7.346 -3.666 1.00 43.44 N ATOM 606 CA LEU A 40 -6.068 8.703 -3.389 1.00 74.43 C ATOM 607 C LEU A 40 -4.545 8.774 -3.402 1.00 22.23 C ATOM 608 O LEU A 40 -3.963 9.856 -3.489 1.00 71.21 O ATOM 609 CB LEU A 40 -6.602 9.177 -2.036 1.00 65.31 C ATOM 610 CG LEU A 40 -5.952 10.437 -1.463 1.00 23.52 C ATOM 611 CD1 LEU A 40 -6.966 11.248 -0.673 1.00 15.32 C ATOM 612 CD2 LEU A 40 -4.761 10.072 -0.588 1.00 61.34 C ATOM 0 H LEU A 40 -7.002 6.893 -2.884 1.00 43.44 H new ATOM 0 HA LEU A 40 -6.449 9.358 -4.173 1.00 74.43 H new ATOM 0 HB2 LEU A 40 -7.673 9.357 -2.133 1.00 65.31 H new ATOM 0 HB3 LEU A 40 -6.478 8.369 -1.315 1.00 65.31 H new ATOM 0 HG LEU A 40 -5.595 11.048 -2.292 1.00 23.52 H new ATOM 0 HD11 LEU A 40 -6.486 12.141 -0.273 1.00 15.32 H new ATOM 0 HD12 LEU A 40 -7.787 11.540 -1.327 1.00 15.32 H new ATOM 0 HD13 LEU A 40 -7.353 10.645 0.148 1.00 15.32 H new ATOM 0 HD21 LEU A 40 -4.311 10.981 -0.189 1.00 61.34 H new ATOM 0 HD22 LEU A 40 -5.094 9.440 0.235 1.00 61.34 H new ATOM 0 HD23 LEU A 40 -4.024 9.533 -1.183 1.00 61.34 H new ATOM 624 N THR A 41 -3.902 7.613 -3.316 1.00 35.02 N ATOM 625 CA THR A 41 -2.447 7.543 -3.318 1.00 43.02 C ATOM 626 C THR A 41 -1.861 8.326 -4.487 1.00 44.32 C ATOM 627 O THR A 41 -0.760 8.868 -4.394 1.00 2.44 O ATOM 628 CB THR A 41 -1.954 6.085 -3.393 1.00 55.44 C ATOM 629 OG1 THR A 41 -2.703 5.268 -2.487 1.00 12.12 O ATOM 630 CG2 THR A 41 -0.473 5.997 -3.059 1.00 31.50 C ATOM 0 H THR A 41 -4.367 6.708 -3.244 1.00 35.02 H new ATOM 0 HA THR A 41 -2.108 7.985 -2.381 1.00 43.02 H new ATOM 0 HB THR A 41 -2.102 5.726 -4.412 1.00 55.44 H new ATOM 0 HG1 THR A 41 -2.385 4.343 -2.542 1.00 12.12 H new ATOM 0 HG21 THR A 41 -0.148 4.958 -3.118 1.00 31.50 H new ATOM 0 HG22 THR A 41 0.096 6.597 -3.769 1.00 31.50 H new ATOM 0 HG23 THR A 41 -0.305 6.373 -2.050 1.00 31.50 H new ATOM 638 N ALA A 42 -2.603 8.382 -5.588 1.00 14.32 N ATOM 639 CA ALA A 42 -2.158 9.102 -6.774 1.00 41.14 C ATOM 640 C ALA A 42 -2.024 10.595 -6.493 1.00 22.21 C ATOM 641 O ALA A 42 -1.106 11.249 -6.987 1.00 1.04 O ATOM 642 CB ALA A 42 -3.121 8.865 -7.928 1.00 50.01 C ATOM 0 H ALA A 42 -3.516 7.937 -5.683 1.00 14.32 H new ATOM 0 HA ALA A 42 -1.175 8.722 -7.051 1.00 41.14 H new ATOM 0 HB1 ALA A 42 -2.776 9.409 -8.807 1.00 50.01 H new ATOM 0 HB2 ALA A 42 -3.163 7.799 -8.154 1.00 50.01 H new ATOM 0 HB3 ALA A 42 -4.115 9.217 -7.651 1.00 50.01 H new ATOM 648 N ALA A 43 -2.945 11.127 -5.697 1.00 54.31 N ATOM 649 CA ALA A 43 -2.929 12.543 -5.349 1.00 63.32 C ATOM 650 C ALA A 43 -1.721 12.881 -4.482 1.00 64.23 C ATOM 651 O ALA A 43 -1.227 14.009 -4.500 1.00 11.20 O ATOM 652 CB ALA A 43 -4.217 12.926 -4.636 1.00 23.14 C ATOM 0 H ALA A 43 -3.712 10.599 -5.281 1.00 54.31 H new ATOM 0 HA ALA A 43 -2.853 13.118 -6.272 1.00 63.32 H new ATOM 0 HB1 ALA A 43 -4.191 13.986 -4.382 1.00 23.14 H new ATOM 0 HB2 ALA A 43 -5.067 12.730 -5.290 1.00 23.14 H new ATOM 0 HB3 ALA A 43 -4.317 12.337 -3.724 1.00 23.14 H new ATOM 658 N LEU A 44 -1.249 11.897 -3.724 1.00 1.41 N ATOM 659 CA LEU A 44 -0.098 12.091 -2.849 1.00 21.13 C ATOM 660 C LEU A 44 1.070 12.707 -3.613 1.00 14.12 C ATOM 661 O LEU A 44 1.885 13.431 -3.042 1.00 11.54 O ATOM 662 CB LEU A 44 0.328 10.758 -2.232 1.00 24.33 C ATOM 663 CG LEU A 44 0.583 10.767 -0.724 1.00 71.30 C ATOM 664 CD1 LEU A 44 1.602 11.835 -0.361 1.00 45.22 C ATOM 665 CD2 LEU A 44 -0.717 10.988 0.035 1.00 33.10 C ATOM 0 H LEU A 44 -1.645 10.958 -3.698 1.00 1.41 H new ATOM 0 HA LEU A 44 -0.389 12.777 -2.053 1.00 21.13 H new ATOM 0 HB2 LEU A 44 -0.444 10.019 -2.445 1.00 24.33 H new ATOM 0 HB3 LEU A 44 1.237 10.423 -2.732 1.00 24.33 H new ATOM 0 HG LEU A 44 0.988 9.796 -0.438 1.00 71.30 H new ATOM 0 HD11 LEU A 44 1.770 11.826 0.716 1.00 45.22 H new ATOM 0 HD12 LEU A 44 2.541 11.633 -0.877 1.00 45.22 H new ATOM 0 HD13 LEU A 44 1.227 12.813 -0.662 1.00 45.22 H new ATOM 0 HD21 LEU A 44 -0.517 10.991 1.106 1.00 33.10 H new ATOM 0 HD22 LEU A 44 -1.150 11.945 -0.256 1.00 33.10 H new ATOM 0 HD23 LEU A 44 -1.417 10.186 -0.201 1.00 33.10 H new ATOM 677 N ARG A 45 1.142 12.416 -4.908 1.00 3.15 N ATOM 678 CA ARG A 45 2.209 12.942 -5.750 1.00 42.42 C ATOM 679 C ARG A 45 2.324 14.457 -5.600 1.00 73.42 C ATOM 680 O ARG A 45 3.390 14.980 -5.275 1.00 14.01 O ATOM 681 CB ARG A 45 1.956 12.582 -7.215 1.00 51.02 C ATOM 682 CG ARG A 45 3.220 12.236 -7.985 1.00 1.03 C ATOM 683 CD ARG A 45 4.087 13.464 -8.213 1.00 51.44 C ATOM 684 NE ARG A 45 5.040 13.267 -9.302 1.00 61.30 N ATOM 685 CZ ARG A 45 4.703 13.290 -10.587 1.00 24.32 C ATOM 686 NH1 ARG A 45 3.444 13.501 -10.942 1.00 35.03 N ATOM 687 NH2 ARG A 45 5.628 13.101 -11.520 1.00 1.43 N ATOM 0 H ARG A 45 0.474 11.819 -5.396 1.00 3.15 H new ATOM 0 HA ARG A 45 3.147 12.490 -5.428 1.00 42.42 H new ATOM 0 HB2 ARG A 45 1.271 11.735 -7.259 1.00 51.02 H new ATOM 0 HB3 ARG A 45 1.460 13.419 -7.706 1.00 51.02 H new ATOM 0 HG2 ARG A 45 3.788 11.485 -7.436 1.00 1.03 H new ATOM 0 HG3 ARG A 45 2.953 11.794 -8.945 1.00 1.03 H new ATOM 0 HD2 ARG A 45 3.451 14.320 -8.438 1.00 51.44 H new ATOM 0 HD3 ARG A 45 4.628 13.701 -7.297 1.00 51.44 H new ATOM 0 HE ARG A 45 6.018 13.103 -9.063 1.00 61.30 H new ATOM 0 HH11 ARG A 45 2.730 13.646 -10.228 1.00 35.03 H new ATOM 0 HH12 ARG A 45 3.189 13.518 -11.929 1.00 35.03 H new ATOM 0 HH21 ARG A 45 6.598 12.938 -11.251 1.00 1.43 H new ATOM 0 HH22 ARG A 45 5.369 13.119 -12.506 1.00 1.43 H new ATOM 701 N PHE A 46 1.219 15.155 -5.840 1.00 72.10 N ATOM 702 CA PHE A 46 1.195 16.609 -5.733 1.00 42.13 C ATOM 703 C PHE A 46 0.906 17.045 -4.300 1.00 35.52 C ATOM 704 O PHE A 46 1.394 18.077 -3.843 1.00 2.42 O ATOM 705 CB PHE A 46 0.144 17.194 -6.678 1.00 55.03 C ATOM 706 CG PHE A 46 0.673 17.496 -8.051 1.00 71.11 C ATOM 707 CD1 PHE A 46 0.527 16.581 -9.081 1.00 71.30 C ATOM 708 CD2 PHE A 46 1.317 18.695 -8.311 1.00 70.35 C ATOM 709 CE1 PHE A 46 1.012 16.855 -10.346 1.00 5.44 C ATOM 710 CE2 PHE A 46 1.804 18.975 -9.574 1.00 42.20 C ATOM 711 CZ PHE A 46 1.653 18.054 -10.592 1.00 71.10 C ATOM 0 H PHE A 46 0.328 14.737 -6.110 1.00 72.10 H new ATOM 0 HA PHE A 46 2.178 16.985 -6.017 1.00 42.13 H new ATOM 0 HB2 PHE A 46 -0.686 16.493 -6.764 1.00 55.03 H new ATOM 0 HB3 PHE A 46 -0.255 18.110 -6.242 1.00 55.03 H new ATOM 0 HD1 PHE A 46 0.028 15.642 -8.893 1.00 71.30 H new ATOM 0 HD2 PHE A 46 1.440 19.418 -7.519 1.00 70.35 H new ATOM 0 HE1 PHE A 46 0.890 16.133 -11.140 1.00 5.44 H new ATOM 0 HE2 PHE A 46 2.303 19.914 -9.765 1.00 42.20 H new ATOM 0 HZ PHE A 46 2.035 18.271 -11.579 1.00 71.10 H new ATOM 721 N ALA A 47 0.107 16.249 -3.596 1.00 53.01 N ATOM 722 CA ALA A 47 -0.247 16.551 -2.215 1.00 35.53 C ATOM 723 C ALA A 47 0.996 16.650 -1.338 1.00 64.41 C ATOM 724 O ALA A 47 1.106 17.543 -0.499 1.00 21.33 O ATOM 725 CB ALA A 47 -1.196 15.493 -1.670 1.00 73.02 C ATOM 0 H ALA A 47 -0.307 15.391 -3.960 1.00 53.01 H new ATOM 0 HA ALA A 47 -0.749 17.518 -2.198 1.00 35.53 H new ATOM 0 HB1 ALA A 47 -1.452 15.731 -0.638 1.00 73.02 H new ATOM 0 HB2 ALA A 47 -2.103 15.473 -2.274 1.00 73.02 H new ATOM 0 HB3 ALA A 47 -0.713 14.517 -1.708 1.00 73.02 H new ATOM 731 N ALA A 48 1.931 15.726 -1.539 1.00 11.25 N ATOM 732 CA ALA A 48 3.168 15.711 -0.767 1.00 75.21 C ATOM 733 C ALA A 48 3.931 17.021 -0.928 1.00 10.15 C ATOM 734 O ALA A 48 4.694 17.417 -0.047 1.00 31.31 O ATOM 735 CB ALA A 48 4.038 14.536 -1.188 1.00 73.20 C ATOM 0 H ALA A 48 1.855 14.979 -2.229 1.00 11.25 H new ATOM 0 HA ALA A 48 2.909 15.599 0.286 1.00 75.21 H new ATOM 0 HB1 ALA A 48 4.958 14.537 -0.604 1.00 73.20 H new ATOM 0 HB2 ALA A 48 3.499 13.604 -1.015 1.00 73.20 H new ATOM 0 HB3 ALA A 48 4.281 14.624 -2.247 1.00 73.20 H new ATOM 741 N GLU A 49 3.720 17.689 -2.058 1.00 23.15 N ATOM 742 CA GLU A 49 4.391 18.954 -2.333 1.00 11.24 C ATOM 743 C GLU A 49 3.783 20.083 -1.505 1.00 44.20 C ATOM 744 O GLU A 49 4.486 20.996 -1.072 1.00 52.14 O ATOM 745 CB GLU A 49 4.299 19.292 -3.822 1.00 50.40 C ATOM 746 CG GLU A 49 4.586 18.111 -4.733 1.00 61.13 C ATOM 747 CD GLU A 49 5.050 18.537 -6.113 1.00 13.33 C ATOM 748 OE1 GLU A 49 5.079 19.758 -6.377 1.00 60.41 O ATOM 749 OE2 GLU A 49 5.383 17.652 -6.927 1.00 73.44 O ATOM 0 H GLU A 49 3.090 17.376 -2.797 1.00 23.15 H new ATOM 0 HA GLU A 49 5.440 18.848 -2.056 1.00 11.24 H new ATOM 0 HB2 GLU A 49 3.301 19.673 -4.038 1.00 50.40 H new ATOM 0 HB3 GLU A 49 5.002 20.094 -4.048 1.00 50.40 H new ATOM 0 HG2 GLU A 49 5.349 17.481 -4.276 1.00 61.13 H new ATOM 0 HG3 GLU A 49 3.686 17.503 -4.828 1.00 61.13 H new ATOM 756 N GLU A 50 2.473 20.013 -1.290 1.00 63.32 N ATOM 757 CA GLU A 50 1.771 21.030 -0.516 1.00 21.50 C ATOM 758 C GLU A 50 2.352 21.139 0.891 1.00 15.30 C ATOM 759 O GLU A 50 2.556 22.239 1.406 1.00 31.43 O ATOM 760 CB GLU A 50 0.278 20.703 -0.440 1.00 1.44 C ATOM 761 CG GLU A 50 -0.562 21.456 -1.458 1.00 31.22 C ATOM 762 CD GLU A 50 -1.732 22.184 -0.825 1.00 2.21 C ATOM 763 OE1 GLU A 50 -1.648 23.421 -0.674 1.00 0.12 O ATOM 764 OE2 GLU A 50 -2.730 21.518 -0.481 1.00 12.03 O ATOM 0 H GLU A 50 1.877 19.263 -1.641 1.00 63.32 H new ATOM 0 HA GLU A 50 1.901 21.988 -1.019 1.00 21.50 H new ATOM 0 HB2 GLU A 50 0.141 19.632 -0.589 1.00 1.44 H new ATOM 0 HB3 GLU A 50 -0.086 20.934 0.561 1.00 1.44 H new ATOM 0 HG2 GLU A 50 0.068 22.175 -1.982 1.00 31.22 H new ATOM 0 HG3 GLU A 50 -0.936 20.755 -2.205 1.00 31.22 H new ATOM 771 N PHE A 51 2.614 19.992 1.507 1.00 24.35 N ATOM 772 CA PHE A 51 3.170 19.958 2.855 1.00 33.44 C ATOM 773 C PHE A 51 4.694 19.905 2.814 1.00 21.25 C ATOM 774 O PHE A 51 5.365 20.266 3.781 1.00 71.45 O ATOM 775 CB PHE A 51 2.627 18.751 3.623 1.00 33.42 C ATOM 776 CG PHE A 51 1.678 19.120 4.727 1.00 35.11 C ATOM 777 CD1 PHE A 51 2.150 19.655 5.915 1.00 72.32 C ATOM 778 CD2 PHE A 51 0.313 18.932 4.577 1.00 30.43 C ATOM 779 CE1 PHE A 51 1.279 19.996 6.933 1.00 41.04 C ATOM 780 CE2 PHE A 51 -0.562 19.271 5.591 1.00 15.43 C ATOM 781 CZ PHE A 51 -0.079 19.803 6.771 1.00 42.01 C ATOM 0 H PHE A 51 2.451 19.073 1.095 1.00 24.35 H new ATOM 0 HA PHE A 51 2.870 20.872 3.368 1.00 33.44 H new ATOM 0 HB2 PHE A 51 2.119 18.085 2.925 1.00 33.42 H new ATOM 0 HB3 PHE A 51 3.463 18.193 4.045 1.00 33.42 H new ATOM 0 HD1 PHE A 51 3.211 19.807 6.047 1.00 72.32 H new ATOM 0 HD2 PHE A 51 -0.071 18.516 3.657 1.00 30.43 H new ATOM 0 HE1 PHE A 51 1.660 20.413 7.854 1.00 41.04 H new ATOM 0 HE2 PHE A 51 -1.624 19.120 5.461 1.00 15.43 H new ATOM 0 HZ PHE A 51 -0.762 20.067 7.565 1.00 42.01 H new ATOM 791 N GLY A 52 5.235 19.451 1.687 1.00 13.15 N ATOM 792 CA GLY A 52 6.675 19.358 1.541 1.00 44.12 C ATOM 793 C GLY A 52 7.291 18.350 2.491 1.00 70.34 C ATOM 794 O GLY A 52 8.434 18.509 2.920 1.00 11.31 O ATOM 0 H GLY A 52 4.701 19.146 0.873 1.00 13.15 H new ATOM 0 HA2 GLY A 52 6.916 19.080 0.515 1.00 44.12 H new ATOM 0 HA3 GLY A 52 7.119 20.338 1.718 1.00 44.12 H new ATOM 798 N ILE A 53 6.532 17.310 2.820 1.00 1.24 N ATOM 799 CA ILE A 53 7.010 16.273 3.726 1.00 61.20 C ATOM 800 C ILE A 53 6.885 14.891 3.094 1.00 62.23 C ATOM 801 O ILE A 53 6.572 14.765 1.910 1.00 31.53 O ATOM 802 CB ILE A 53 6.236 16.288 5.058 1.00 64.44 C ATOM 803 CG1 ILE A 53 4.791 15.838 4.838 1.00 73.55 C ATOM 804 CG2 ILE A 53 6.276 17.676 5.678 1.00 41.33 C ATOM 805 CD1 ILE A 53 3.924 15.964 6.071 1.00 62.11 C ATOM 0 H ILE A 53 5.584 17.163 2.473 1.00 1.24 H new ATOM 0 HA ILE A 53 8.061 16.486 3.923 1.00 61.20 H new ATOM 0 HB ILE A 53 6.713 15.590 5.746 1.00 64.44 H new ATOM 0 HG12 ILE A 53 4.353 16.430 4.034 1.00 73.55 H new ATOM 0 HG13 ILE A 53 4.789 14.799 4.507 1.00 73.55 H new ATOM 0 HG21 ILE A 53 5.725 17.670 6.618 1.00 41.33 H new ATOM 0 HG22 ILE A 53 7.311 17.961 5.866 1.00 41.33 H new ATOM 0 HG23 ILE A 53 5.821 18.393 4.995 1.00 41.33 H new ATOM 0 HD11 ILE A 53 2.913 15.627 5.841 1.00 62.11 H new ATOM 0 HD12 ILE A 53 4.338 15.350 6.871 1.00 62.11 H new ATOM 0 HD13 ILE A 53 3.895 17.006 6.391 1.00 62.11 H new ATOM 817 N ALA A 54 7.131 13.857 3.892 1.00 73.35 N ATOM 818 CA ALA A 54 7.042 12.483 3.411 1.00 11.43 C ATOM 819 C ALA A 54 5.680 12.209 2.782 1.00 63.20 C ATOM 820 O ALA A 54 5.535 12.232 1.560 1.00 54.11 O ATOM 821 CB ALA A 54 7.306 11.508 4.549 1.00 11.31 C ATOM 0 H ALA A 54 7.393 13.944 4.874 1.00 73.35 H new ATOM 0 HA ALA A 54 7.802 12.343 2.643 1.00 11.43 H new ATOM 0 HB1 ALA A 54 7.236 10.486 4.176 1.00 11.31 H new ATOM 0 HB2 ALA A 54 8.304 11.680 4.952 1.00 11.31 H new ATOM 0 HB3 ALA A 54 6.567 11.658 5.336 1.00 11.31 H new ATOM 827 N SER A 55 4.686 11.948 3.624 1.00 12.25 N ATOM 828 CA SER A 55 3.336 11.664 3.150 1.00 45.50 C ATOM 829 C SER A 55 2.341 11.675 4.306 1.00 53.32 C ATOM 830 O SER A 55 1.303 11.015 4.253 1.00 51.13 O ATOM 831 CB SER A 55 3.297 10.310 2.440 1.00 31.45 C ATOM 832 OG SER A 55 4.561 9.671 2.490 1.00 41.14 O ATOM 0 H SER A 55 4.790 11.927 4.639 1.00 12.25 H new ATOM 0 HA SER A 55 3.053 12.444 2.444 1.00 45.50 H new ATOM 0 HB2 SER A 55 2.545 9.673 2.906 1.00 31.45 H new ATOM 0 HB3 SER A 55 2.997 10.449 1.401 1.00 31.45 H new ATOM 0 HG SER A 55 4.509 8.807 2.031 1.00 41.14 H new ATOM 838 N VAL A 56 2.665 12.430 5.351 1.00 53.32 N ATOM 839 CA VAL A 56 1.799 12.529 6.520 1.00 5.21 C ATOM 840 C VAL A 56 0.530 13.311 6.200 1.00 4.12 C ATOM 841 O VAL A 56 -0.454 13.244 6.936 1.00 75.11 O ATOM 842 CB VAL A 56 2.524 13.207 7.698 1.00 14.05 C ATOM 843 CG1 VAL A 56 1.721 13.049 8.981 1.00 62.31 C ATOM 844 CG2 VAL A 56 3.924 12.636 7.862 1.00 21.12 C ATOM 0 H VAL A 56 3.521 12.982 5.412 1.00 53.32 H new ATOM 0 HA VAL A 56 1.532 11.511 6.804 1.00 5.21 H new ATOM 0 HB VAL A 56 2.614 14.272 7.482 1.00 14.05 H new ATOM 0 HG11 VAL A 56 2.248 13.534 9.802 1.00 62.31 H new ATOM 0 HG12 VAL A 56 0.741 13.510 8.856 1.00 62.31 H new ATOM 0 HG13 VAL A 56 1.597 11.989 9.205 1.00 62.31 H new ATOM 0 HG21 VAL A 56 4.421 13.127 8.699 1.00 21.12 H new ATOM 0 HG22 VAL A 56 3.860 11.565 8.055 1.00 21.12 H new ATOM 0 HG23 VAL A 56 4.496 12.806 6.950 1.00 21.12 H new ATOM 854 N ASP A 57 0.561 14.052 5.098 1.00 32.00 N ATOM 855 CA ASP A 57 -0.588 14.846 4.679 1.00 50.42 C ATOM 856 C ASP A 57 -1.674 13.958 4.080 1.00 63.21 C ATOM 857 O ASP A 57 -2.762 14.428 3.747 1.00 5.34 O ATOM 858 CB ASP A 57 -0.159 15.905 3.661 1.00 32.14 C ATOM 859 CG ASP A 57 0.180 15.306 2.311 1.00 60.23 C ATOM 860 OD1 ASP A 57 -0.753 14.873 1.602 1.00 20.10 O ATOM 861 OD2 ASP A 57 1.378 15.270 1.962 1.00 44.51 O ATOM 0 H ASP A 57 1.369 14.119 4.479 1.00 32.00 H new ATOM 0 HA ASP A 57 -0.995 15.343 5.560 1.00 50.42 H new ATOM 0 HB2 ASP A 57 -0.960 16.635 3.541 1.00 32.14 H new ATOM 0 HB3 ASP A 57 0.708 16.443 4.044 1.00 32.14 H new ATOM 866 N SER A 58 -1.370 12.671 3.944 1.00 31.25 N ATOM 867 CA SER A 58 -2.318 11.717 3.381 1.00 72.11 C ATOM 868 C SER A 58 -3.606 11.684 4.198 1.00 55.54 C ATOM 869 O SER A 58 -4.656 11.272 3.705 1.00 11.10 O ATOM 870 CB SER A 58 -1.698 10.319 3.330 1.00 52.25 C ATOM 871 OG SER A 58 -2.642 9.358 2.890 1.00 55.30 O ATOM 0 H SER A 58 -0.475 12.265 4.216 1.00 31.25 H new ATOM 0 HA SER A 58 -2.559 12.038 2.367 1.00 72.11 H new ATOM 0 HB2 SER A 58 -0.839 10.323 2.659 1.00 52.25 H new ATOM 0 HB3 SER A 58 -1.329 10.045 4.318 1.00 52.25 H new ATOM 0 HG SER A 58 -2.221 8.473 2.865 1.00 55.30 H new ATOM 877 N MET A 59 -3.517 12.123 5.449 1.00 34.52 N ATOM 878 CA MET A 59 -4.676 12.145 6.335 1.00 43.12 C ATOM 879 C MET A 59 -4.575 13.294 7.333 1.00 43.10 C ATOM 880 O MET A 59 -4.414 13.074 8.533 1.00 60.21 O ATOM 881 CB MET A 59 -4.800 10.815 7.081 1.00 1.31 C ATOM 882 CG MET A 59 -3.529 10.405 7.807 1.00 12.15 C ATOM 883 SD MET A 59 -2.635 9.092 6.955 1.00 61.11 S ATOM 884 CE MET A 59 -1.611 8.463 8.283 1.00 63.53 C ATOM 0 H MET A 59 -2.656 12.468 5.872 1.00 34.52 H new ATOM 0 HA MET A 59 -5.566 12.295 5.724 1.00 43.12 H new ATOM 0 HB2 MET A 59 -5.614 10.887 7.803 1.00 1.31 H new ATOM 0 HB3 MET A 59 -5.072 10.034 6.371 1.00 1.31 H new ATOM 0 HG2 MET A 59 -2.879 11.273 7.911 1.00 12.15 H new ATOM 0 HG3 MET A 59 -3.781 10.073 8.814 1.00 12.15 H new ATOM 0 HE1 MET A 59 -0.997 7.642 7.912 1.00 63.53 H new ATOM 0 HE2 MET A 59 -0.966 9.260 8.654 1.00 63.53 H new ATOM 0 HE3 MET A 59 -2.246 8.103 9.093 1.00 63.53 H new ATOM 894 N ALA A 60 -4.670 14.520 6.829 1.00 45.12 N ATOM 895 CA ALA A 60 -4.590 15.703 7.677 1.00 54.03 C ATOM 896 C ALA A 60 -5.416 16.848 7.100 1.00 43.22 C ATOM 897 O ALA A 60 -4.868 17.830 6.599 1.00 23.22 O ATOM 898 CB ALA A 60 -3.141 16.131 7.852 1.00 22.32 C ATOM 0 H ALA A 60 -4.802 14.720 5.838 1.00 45.12 H new ATOM 0 HA ALA A 60 -5.002 15.448 8.654 1.00 54.03 H new ATOM 0 HB1 ALA A 60 -3.097 17.016 8.487 1.00 22.32 H new ATOM 0 HB2 ALA A 60 -2.576 15.322 8.316 1.00 22.32 H new ATOM 0 HB3 ALA A 60 -2.710 16.362 6.878 1.00 22.32 H new ATOM 904 N ALA A 61 -6.736 16.715 7.173 1.00 40.43 N ATOM 905 CA ALA A 61 -7.636 17.740 6.659 1.00 74.13 C ATOM 906 C ALA A 61 -8.961 17.735 7.414 1.00 54.24 C ATOM 907 O ALA A 61 -9.373 16.712 7.962 1.00 64.23 O ATOM 908 CB ALA A 61 -7.874 17.535 5.170 1.00 73.20 C ATOM 0 H ALA A 61 -7.206 15.908 7.583 1.00 40.43 H new ATOM 0 HA ALA A 61 -7.165 18.711 6.810 1.00 74.13 H new ATOM 0 HB1 ALA A 61 -8.548 18.307 4.800 1.00 73.20 H new ATOM 0 HB2 ALA A 61 -6.925 17.596 4.638 1.00 73.20 H new ATOM 0 HB3 ALA A 61 -8.320 16.554 5.004 1.00 73.20 H new ATOM 914 N THR A 62 -9.627 18.886 7.439 1.00 23.14 N ATOM 915 CA THR A 62 -10.904 19.015 8.129 1.00 73.22 C ATOM 916 C THR A 62 -11.873 19.883 7.334 1.00 42.11 C ATOM 917 O THR A 62 -11.460 20.683 6.493 1.00 12.04 O ATOM 918 CB THR A 62 -10.726 19.619 9.534 1.00 2.23 C ATOM 919 OG1 THR A 62 -9.618 20.526 9.540 1.00 1.44 O ATOM 920 CG2 THR A 62 -10.499 18.527 10.568 1.00 22.33 C ATOM 0 H THR A 62 -9.302 19.742 6.989 1.00 23.14 H new ATOM 0 HA THR A 62 -11.314 18.010 8.224 1.00 73.22 H new ATOM 0 HB THR A 62 -11.638 20.158 9.792 1.00 2.23 H new ATOM 0 HG1 THR A 62 -9.608 21.025 10.383 1.00 1.44 H new ATOM 0 HG21 THR A 62 -10.376 18.978 11.553 1.00 22.33 H new ATOM 0 HG22 THR A 62 -11.357 17.855 10.582 1.00 22.33 H new ATOM 0 HG23 THR A 62 -9.601 17.964 10.312 1.00 22.33 H new ATOM 928 N THR A 63 -13.164 19.722 7.605 1.00 73.42 N ATOM 929 CA THR A 63 -14.192 20.491 6.915 1.00 70.45 C ATOM 930 C THR A 63 -14.461 21.812 7.625 1.00 24.05 C ATOM 931 O THR A 63 -14.095 21.990 8.788 1.00 64.45 O ATOM 932 CB THR A 63 -15.510 19.700 6.810 1.00 61.02 C ATOM 933 OG1 THR A 63 -15.431 18.509 7.601 1.00 11.32 O ATOM 934 CG2 THR A 63 -15.808 19.335 5.363 1.00 34.25 C ATOM 0 H THR A 63 -13.523 19.065 8.298 1.00 73.42 H new ATOM 0 HA THR A 63 -13.816 20.691 5.912 1.00 70.45 H new ATOM 0 HB THR A 63 -16.317 20.330 7.183 1.00 61.02 H new ATOM 0 HG1 THR A 63 -15.679 18.714 8.527 1.00 11.32 H new ATOM 0 HG21 THR A 63 -16.743 18.777 5.314 1.00 34.25 H new ATOM 0 HG22 THR A 63 -15.896 20.245 4.769 1.00 34.25 H new ATOM 0 HG23 THR A 63 -14.998 18.721 4.968 1.00 34.25 H new ATOM 942 N LYS A 64 -15.103 22.738 6.921 1.00 23.40 N ATOM 943 CA LYS A 64 -15.423 24.044 7.485 1.00 61.41 C ATOM 944 C LYS A 64 -16.393 23.908 8.654 1.00 2.44 C ATOM 945 O LYS A 64 -16.478 24.791 9.508 1.00 44.51 O ATOM 946 CB LYS A 64 -16.026 24.952 6.411 1.00 61.22 C ATOM 947 CG LYS A 64 -17.234 24.350 5.713 1.00 24.04 C ATOM 948 CD LYS A 64 -16.878 23.831 4.330 1.00 4.13 C ATOM 949 CE LYS A 64 -17.252 22.365 4.172 1.00 43.44 C ATOM 950 NZ LYS A 64 -18.635 22.200 3.645 1.00 64.34 N ATOM 0 H LYS A 64 -15.412 22.608 5.958 1.00 23.40 H new ATOM 0 HA LYS A 64 -14.499 24.490 7.852 1.00 61.41 H new ATOM 0 HB2 LYS A 64 -16.315 25.898 6.868 1.00 61.22 H new ATOM 0 HB3 LYS A 64 -15.262 25.177 5.667 1.00 61.22 H new ATOM 0 HG2 LYS A 64 -17.635 23.535 6.316 1.00 24.04 H new ATOM 0 HG3 LYS A 64 -18.019 25.102 5.630 1.00 24.04 H new ATOM 0 HD2 LYS A 64 -17.394 24.423 3.574 1.00 4.13 H new ATOM 0 HD3 LYS A 64 -15.809 23.956 4.157 1.00 4.13 H new ATOM 0 HE2 LYS A 64 -16.546 21.881 3.497 1.00 43.44 H new ATOM 0 HE3 LYS A 64 -17.168 21.863 5.136 1.00 43.44 H new ATOM 0 HZ1 LYS A 64 -18.668 21.379 3.007 1.00 64.34 H new ATOM 0 HZ2 LYS A 64 -19.293 22.050 4.437 1.00 64.34 H new ATOM 0 HZ3 LYS A 64 -18.912 23.056 3.123 1.00 64.34 H new ATOM 964 N ASP A 65 -17.121 22.798 8.688 1.00 62.33 N ATOM 965 CA ASP A 65 -18.083 22.546 9.754 1.00 21.13 C ATOM 966 C ASP A 65 -17.374 22.126 11.038 1.00 64.21 C ATOM 967 O ASP A 65 -17.917 22.263 12.133 1.00 74.51 O ATOM 968 CB ASP A 65 -19.077 21.464 9.329 1.00 41.23 C ATOM 969 CG ASP A 65 -20.515 21.938 9.403 1.00 31.11 C ATOM 970 OD1 ASP A 65 -21.011 22.491 8.399 1.00 62.12 O ATOM 971 OD2 ASP A 65 -21.145 21.755 10.465 1.00 33.14 O ATOM 0 H ASP A 65 -17.063 22.058 7.989 1.00 62.33 H new ATOM 0 HA ASP A 65 -18.626 23.472 9.945 1.00 21.13 H new ATOM 0 HB2 ASP A 65 -18.853 21.149 8.310 1.00 41.23 H new ATOM 0 HB3 ASP A 65 -18.952 20.589 9.967 1.00 41.23 H new ATOM 976 N GLY A 66 -16.155 21.612 10.894 1.00 15.43 N ATOM 977 CA GLY A 66 -15.392 21.179 12.050 1.00 73.10 C ATOM 978 C GLY A 66 -14.569 19.938 11.769 1.00 64.14 C ATOM 979 O GLY A 66 -13.429 20.030 11.310 1.00 32.33 O ATOM 0 H GLY A 66 -15.683 21.488 9.998 1.00 15.43 H new ATOM 0 HA2 GLY A 66 -14.731 21.985 12.368 1.00 73.10 H new ATOM 0 HA3 GLY A 66 -16.073 20.980 12.877 1.00 73.10 H new ATOM 983 N THR A 67 -15.145 18.772 12.045 1.00 64.13 N ATOM 984 CA THR A 67 -14.456 17.507 11.821 1.00 4.23 C ATOM 985 C THR A 67 -14.528 17.093 10.356 1.00 33.22 C ATOM 986 O THR A 67 -15.604 17.072 9.760 1.00 60.44 O ATOM 987 CB THR A 67 -15.049 16.383 12.691 1.00 30.11 C ATOM 988 OG1 THR A 67 -14.310 15.172 12.497 1.00 75.42 O ATOM 989 CG2 THR A 67 -16.513 16.150 12.350 1.00 52.41 C ATOM 0 H THR A 67 -16.087 18.678 12.424 1.00 64.13 H new ATOM 0 HA THR A 67 -13.414 17.661 12.101 1.00 4.23 H new ATOM 0 HB THR A 67 -14.980 16.687 13.735 1.00 30.11 H new ATOM 0 HG1 THR A 67 -14.692 14.463 13.055 1.00 75.42 H new ATOM 0 HG21 THR A 67 -16.910 15.352 12.977 1.00 52.41 H new ATOM 0 HG22 THR A 67 -17.078 17.065 12.527 1.00 52.41 H new ATOM 0 HG23 THR A 67 -16.602 15.866 11.301 1.00 52.41 H new ATOM 997 N GLY A 68 -13.376 16.763 9.781 1.00 23.22 N ATOM 998 CA GLY A 68 -13.331 16.353 8.390 1.00 74.42 C ATOM 999 C GLY A 68 -12.283 15.289 8.132 1.00 44.10 C ATOM 1000 O GLY A 68 -11.482 15.410 7.204 1.00 32.40 O ATOM 0 H GLY A 68 -12.472 16.772 10.254 1.00 23.22 H new ATOM 0 HA2 GLY A 68 -14.309 15.974 8.095 1.00 74.42 H new ATOM 0 HA3 GLY A 68 -13.124 17.222 7.765 1.00 74.42 H new ATOM 1004 N ILE A 69 -12.285 14.246 8.955 1.00 1.23 N ATOM 1005 CA ILE A 69 -11.326 13.158 8.812 1.00 42.04 C ATOM 1006 C ILE A 69 -11.757 12.186 7.719 1.00 41.15 C ATOM 1007 O ILE A 69 -12.932 11.837 7.612 1.00 2.22 O ATOM 1008 CB ILE A 69 -11.151 12.384 10.131 1.00 21.15 C ATOM 1009 CG1 ILE A 69 -10.658 13.321 11.236 1.00 21.21 C ATOM 1010 CG2 ILE A 69 -10.184 11.225 9.942 1.00 43.04 C ATOM 1011 CD1 ILE A 69 -9.283 13.894 10.974 1.00 62.35 C ATOM 0 H ILE A 69 -12.940 14.132 9.728 1.00 1.23 H new ATOM 0 HA ILE A 69 -10.374 13.611 8.538 1.00 42.04 H new ATOM 0 HB ILE A 69 -12.118 11.979 10.428 1.00 21.15 H new ATOM 0 HG12 ILE A 69 -11.368 14.140 11.350 1.00 21.21 H new ATOM 0 HG13 ILE A 69 -10.642 12.778 12.181 1.00 21.21 H new ATOM 0 HG21 ILE A 69 -10.071 10.688 10.884 1.00 43.04 H new ATOM 0 HG22 ILE A 69 -10.573 10.547 9.182 1.00 43.04 H new ATOM 0 HG23 ILE A 69 -9.214 11.608 9.625 1.00 43.04 H new ATOM 0 HD11 ILE A 69 -8.998 14.548 11.798 1.00 62.35 H new ATOM 0 HD12 ILE A 69 -8.561 13.082 10.889 1.00 62.35 H new ATOM 0 HD13 ILE A 69 -9.298 14.465 10.046 1.00 62.35 H new ATOM 1023 N ASN A 70 -10.797 11.751 6.909 1.00 42.11 N ATOM 1024 CA ASN A 70 -11.077 10.818 5.824 1.00 63.41 C ATOM 1025 C ASN A 70 -11.152 9.385 6.344 1.00 15.44 C ATOM 1026 O ASN A 70 -10.163 8.811 6.799 1.00 32.31 O ATOM 1027 CB ASN A 70 -10.000 10.923 4.742 1.00 23.32 C ATOM 1028 CG ASN A 70 -9.503 12.344 4.557 1.00 71.50 C ATOM 1029 OD1 ASN A 70 -9.973 13.068 3.679 1.00 64.51 O ATOM 1030 ND2 ASN A 70 -8.548 12.749 5.386 1.00 61.03 N ATOM 0 H ASN A 70 -9.819 12.030 6.984 1.00 42.11 H new ATOM 0 HA ASN A 70 -12.043 11.081 5.393 1.00 63.41 H new ATOM 0 HB2 ASN A 70 -9.161 10.279 5.005 1.00 23.32 H new ATOM 0 HB3 ASN A 70 -10.401 10.555 3.797 1.00 23.32 H new ATOM 0 HD21 ASN A 70 -8.174 13.695 5.310 1.00 61.03 H new ATOM 0 HD22 ASN A 70 -8.188 12.114 6.099 1.00 61.03 H new ATOM 1037 N PRO A 71 -12.354 8.794 6.277 1.00 55.05 N ATOM 1038 CA PRO A 71 -12.588 7.421 6.735 1.00 14.51 C ATOM 1039 C PRO A 71 -11.920 6.388 5.835 1.00 30.21 C ATOM 1040 O PRO A 71 -11.229 5.489 6.313 1.00 2.04 O ATOM 1041 CB PRO A 71 -14.111 7.281 6.672 1.00 73.04 C ATOM 1042 CG PRO A 71 -14.540 8.269 5.642 1.00 13.15 C ATOM 1043 CD PRO A 71 -13.578 9.420 5.746 1.00 24.44 C ATOM 0 HA PRO A 71 -12.171 7.245 7.727 1.00 14.51 H new ATOM 0 HB2 PRO A 71 -14.404 6.268 6.396 1.00 73.04 H new ATOM 0 HB3 PRO A 71 -14.568 7.493 7.638 1.00 73.04 H new ATOM 0 HG2 PRO A 71 -14.516 7.829 4.645 1.00 13.15 H new ATOM 0 HG3 PRO A 71 -15.564 8.599 5.820 1.00 13.15 H new ATOM 0 HD2 PRO A 71 -13.403 9.886 4.777 1.00 24.44 H new ATOM 0 HD3 PRO A 71 -13.953 10.198 6.411 1.00 24.44 H new ATOM 1051 N ALA A 72 -12.131 6.522 4.530 1.00 44.02 N ATOM 1052 CA ALA A 72 -11.546 5.601 3.563 1.00 32.11 C ATOM 1053 C ALA A 72 -10.498 6.299 2.704 1.00 43.22 C ATOM 1054 O ALA A 72 -9.590 5.659 2.175 1.00 63.32 O ATOM 1055 CB ALA A 72 -12.633 4.997 2.686 1.00 22.31 C ATOM 0 H ALA A 72 -12.703 7.259 4.118 1.00 44.02 H new ATOM 0 HA ALA A 72 -11.051 4.801 4.114 1.00 32.11 H new ATOM 0 HB1 ALA A 72 -12.182 4.311 1.968 1.00 22.31 H new ATOM 0 HB2 ALA A 72 -13.344 4.454 3.309 1.00 22.31 H new ATOM 0 HB3 ALA A 72 -13.153 5.792 2.151 1.00 22.31 H new ATOM 1061 N GLN A 73 -10.630 7.615 2.569 1.00 34.20 N ATOM 1062 CA GLN A 73 -9.694 8.399 1.772 1.00 32.12 C ATOM 1063 C GLN A 73 -9.785 8.021 0.297 1.00 20.35 C ATOM 1064 O GLN A 73 -8.917 8.375 -0.501 1.00 3.54 O ATOM 1065 CB GLN A 73 -8.265 8.193 2.277 1.00 60.23 C ATOM 1066 CG GLN A 73 -8.167 8.059 3.788 1.00 44.12 C ATOM 1067 CD GLN A 73 -6.956 8.771 4.359 1.00 13.11 C ATOM 1068 OE1 GLN A 73 -7.052 9.469 5.369 1.00 43.31 O ATOM 1069 NE2 GLN A 73 -5.808 8.598 3.715 1.00 73.24 N ATOM 0 H GLN A 73 -11.376 8.160 3.001 1.00 34.20 H new ATOM 0 HA GLN A 73 -9.960 9.451 1.875 1.00 32.12 H new ATOM 0 HB2 GLN A 73 -7.850 7.298 1.814 1.00 60.23 H new ATOM 0 HB3 GLN A 73 -7.650 9.033 1.954 1.00 60.23 H new ATOM 0 HG2 GLN A 73 -9.070 8.464 4.244 1.00 44.12 H new ATOM 0 HG3 GLN A 73 -8.121 7.003 4.053 1.00 44.12 H new ATOM 0 HE21 GLN A 73 -5.774 8.011 2.882 1.00 73.24 H new ATOM 0 HE22 GLN A 73 -4.960 9.052 4.054 1.00 73.24 H new ATOM 1078 N THR A 74 -10.842 7.297 -0.059 1.00 50.52 N ATOM 1079 CA THR A 74 -11.046 6.870 -1.437 1.00 64.44 C ATOM 1080 C THR A 74 -11.619 8.000 -2.285 1.00 20.41 C ATOM 1081 O THR A 74 -12.173 8.964 -1.758 1.00 24.02 O ATOM 1082 CB THR A 74 -11.990 5.655 -1.515 1.00 1.11 C ATOM 1083 OG1 THR A 74 -11.724 4.758 -0.431 1.00 20.10 O ATOM 1084 CG2 THR A 74 -11.823 4.923 -2.838 1.00 41.41 C ATOM 0 H THR A 74 -11.570 6.994 0.588 1.00 50.52 H new ATOM 0 HA THR A 74 -10.068 6.587 -1.827 1.00 64.44 H new ATOM 0 HB THR A 74 -13.016 6.015 -1.445 1.00 1.11 H new ATOM 0 HG1 THR A 74 -12.329 3.989 -0.487 1.00 20.10 H new ATOM 0 HG21 THR A 74 -12.500 4.069 -2.869 1.00 41.41 H new ATOM 0 HG22 THR A 74 -12.055 5.600 -3.660 1.00 41.41 H new ATOM 0 HG23 THR A 74 -10.795 4.574 -2.934 1.00 41.41 H new ATOM 1092 N ALA A 75 -11.483 7.873 -3.601 1.00 12.51 N ATOM 1093 CA ALA A 75 -11.991 8.883 -4.521 1.00 44.34 C ATOM 1094 C ALA A 75 -13.508 9.004 -4.423 1.00 25.34 C ATOM 1095 O ALA A 75 -14.045 10.101 -4.275 1.00 63.42 O ATOM 1096 CB ALA A 75 -11.577 8.552 -5.948 1.00 12.52 C ATOM 0 H ALA A 75 -11.026 7.081 -4.053 1.00 12.51 H new ATOM 0 HA ALA A 75 -11.558 9.844 -4.241 1.00 44.34 H new ATOM 0 HB1 ALA A 75 -11.963 9.314 -6.625 1.00 12.52 H new ATOM 0 HB2 ALA A 75 -10.489 8.525 -6.014 1.00 12.52 H new ATOM 0 HB3 ALA A 75 -11.982 7.580 -6.228 1.00 12.52 H new ATOM 1102 N GLY A 76 -14.194 7.868 -4.506 1.00 25.43 N ATOM 1103 CA GLY A 76 -15.642 7.868 -4.424 1.00 55.45 C ATOM 1104 C GLY A 76 -16.146 8.278 -3.055 1.00 32.13 C ATOM 1105 O GLY A 76 -17.164 8.959 -2.939 1.00 31.24 O ATOM 0 H GLY A 76 -13.772 6.948 -4.629 1.00 25.43 H new ATOM 0 HA2 GLY A 76 -16.045 8.548 -5.175 1.00 55.45 H new ATOM 0 HA3 GLY A 76 -16.016 6.872 -4.662 1.00 55.45 H new ATOM 1109 N ASN A 77 -15.432 7.861 -2.014 1.00 73.52 N ATOM 1110 CA ASN A 77 -15.814 8.186 -0.645 1.00 54.40 C ATOM 1111 C ASN A 77 -15.584 9.666 -0.353 1.00 44.04 C ATOM 1112 O ASN A 77 -16.504 10.383 0.040 1.00 5.23 O ATOM 1113 CB ASN A 77 -15.022 7.330 0.345 1.00 11.31 C ATOM 1114 CG ASN A 77 -15.564 5.918 0.451 1.00 13.03 C ATOM 1115 OD1 ASN A 77 -14.829 4.945 0.286 1.00 23.23 O ATOM 1116 ND2 ASN A 77 -16.858 5.800 0.728 1.00 42.31 N ATOM 0 H ASN A 77 -14.586 7.297 -2.093 1.00 73.52 H new ATOM 0 HA ASN A 77 -16.877 7.972 -0.530 1.00 54.40 H new ATOM 0 HB2 ASN A 77 -13.978 7.293 0.035 1.00 11.31 H new ATOM 0 HB3 ASN A 77 -15.046 7.800 1.328 1.00 11.31 H new ATOM 0 HD21 ASN A 77 -17.279 4.875 0.812 1.00 42.31 H new ATOM 0 HD22 ASN A 77 -17.430 6.635 0.857 1.00 42.31 H new ATOM 1123 N VAL A 78 -14.349 10.117 -0.550 1.00 24.21 N ATOM 1124 CA VAL A 78 -13.996 11.511 -0.310 1.00 54.10 C ATOM 1125 C VAL A 78 -14.835 12.446 -1.174 1.00 44.25 C ATOM 1126 O VAL A 78 -15.215 13.535 -0.742 1.00 61.53 O ATOM 1127 CB VAL A 78 -12.504 11.770 -0.591 1.00 73.52 C ATOM 1128 CG1 VAL A 78 -12.175 13.244 -0.415 1.00 21.04 C ATOM 1129 CG2 VAL A 78 -11.635 10.909 0.313 1.00 32.41 C ATOM 0 H VAL A 78 -13.576 9.537 -0.875 1.00 24.21 H new ATOM 0 HA VAL A 78 -14.199 11.712 0.742 1.00 54.10 H new ATOM 0 HB VAL A 78 -12.294 11.497 -1.625 1.00 73.52 H new ATOM 0 HG11 VAL A 78 -11.117 13.407 -0.618 1.00 21.04 H new ATOM 0 HG12 VAL A 78 -12.773 13.836 -1.108 1.00 21.04 H new ATOM 0 HG13 VAL A 78 -12.400 13.547 0.608 1.00 21.04 H new ATOM 0 HG21 VAL A 78 -10.584 11.105 0.101 1.00 32.41 H new ATOM 0 HG22 VAL A 78 -11.846 11.148 1.355 1.00 32.41 H new ATOM 0 HG23 VAL A 78 -11.852 9.856 0.131 1.00 32.41 H new ATOM 1139 N PHE A 79 -15.120 12.015 -2.398 1.00 61.55 N ATOM 1140 CA PHE A 79 -15.913 12.813 -3.325 1.00 54.42 C ATOM 1141 C PHE A 79 -17.249 13.205 -2.700 1.00 1.43 C ATOM 1142 O PHE A 79 -17.713 14.334 -2.858 1.00 42.11 O ATOM 1143 CB PHE A 79 -16.153 12.039 -4.623 1.00 50.21 C ATOM 1144 CG PHE A 79 -17.116 12.717 -5.556 1.00 62.50 C ATOM 1145 CD1 PHE A 79 -18.316 12.112 -5.893 1.00 62.34 C ATOM 1146 CD2 PHE A 79 -16.820 13.958 -6.096 1.00 74.11 C ATOM 1147 CE1 PHE A 79 -19.204 12.732 -6.751 1.00 52.43 C ATOM 1148 CE2 PHE A 79 -17.705 14.584 -6.954 1.00 61.52 C ATOM 1149 CZ PHE A 79 -18.898 13.970 -7.283 1.00 63.42 C ATOM 0 H PHE A 79 -14.813 11.117 -2.771 1.00 61.55 H new ATOM 0 HA PHE A 79 -15.356 13.722 -3.550 1.00 54.42 H new ATOM 0 HB2 PHE A 79 -15.201 11.900 -5.135 1.00 50.21 H new ATOM 0 HB3 PHE A 79 -16.533 11.047 -4.380 1.00 50.21 H new ATOM 0 HD1 PHE A 79 -18.560 11.144 -5.480 1.00 62.34 H new ATOM 0 HD2 PHE A 79 -15.888 14.442 -5.844 1.00 74.11 H new ATOM 0 HE1 PHE A 79 -20.136 12.250 -7.006 1.00 52.43 H new ATOM 0 HE2 PHE A 79 -17.464 15.552 -7.367 1.00 61.52 H new ATOM 0 HZ PHE A 79 -19.590 14.457 -7.955 1.00 63.42 H new ATOM 1159 N MET A 80 -17.862 12.264 -1.989 1.00 45.20 N ATOM 1160 CA MET A 80 -19.143 12.511 -1.339 1.00 34.01 C ATOM 1161 C MET A 80 -18.943 12.975 0.100 1.00 24.54 C ATOM 1162 O MET A 80 -19.852 13.531 0.717 1.00 23.51 O ATOM 1163 CB MET A 80 -20.004 11.246 -1.364 1.00 52.54 C ATOM 1164 CG MET A 80 -21.476 11.508 -1.089 1.00 31.30 C ATOM 1165 SD MET A 80 -22.316 10.075 -0.387 1.00 12.23 S ATOM 1166 CE MET A 80 -22.843 10.733 1.194 1.00 74.03 C ATOM 0 H MET A 80 -17.492 11.324 -1.849 1.00 45.20 H new ATOM 0 HA MET A 80 -19.654 13.301 -1.889 1.00 34.01 H new ATOM 0 HB2 MET A 80 -19.904 10.768 -2.338 1.00 52.54 H new ATOM 0 HB3 MET A 80 -19.624 10.543 -0.623 1.00 52.54 H new ATOM 0 HG2 MET A 80 -21.569 12.351 -0.404 1.00 31.30 H new ATOM 0 HG3 MET A 80 -21.970 11.795 -2.017 1.00 31.30 H new ATOM 0 HE1 MET A 80 -23.379 9.963 1.748 1.00 74.03 H new ATOM 0 HE2 MET A 80 -21.970 11.050 1.765 1.00 74.03 H new ATOM 0 HE3 MET A 80 -23.500 11.587 1.032 1.00 74.03 H new ATOM 1176 N LYS A 81 -17.747 12.742 0.631 1.00 42.02 N ATOM 1177 CA LYS A 81 -17.426 13.136 1.997 1.00 4.33 C ATOM 1178 C LYS A 81 -17.417 14.655 2.138 1.00 43.14 C ATOM 1179 O LYS A 81 -18.144 15.217 2.957 1.00 74.32 O ATOM 1180 CB LYS A 81 -16.065 12.568 2.408 1.00 73.34 C ATOM 1181 CG LYS A 81 -15.985 12.183 3.875 1.00 65.33 C ATOM 1182 CD LYS A 81 -16.867 10.985 4.186 1.00 4.34 C ATOM 1183 CE LYS A 81 -16.412 9.746 3.431 1.00 44.11 C ATOM 1184 NZ LYS A 81 -17.111 8.520 3.904 1.00 32.24 N ATOM 0 H LYS A 81 -16.984 12.282 0.135 1.00 42.02 H new ATOM 0 HA LYS A 81 -18.196 12.732 2.655 1.00 4.33 H new ATOM 0 HB2 LYS A 81 -15.848 11.691 1.798 1.00 73.34 H new ATOM 0 HB3 LYS A 81 -15.292 13.306 2.192 1.00 73.34 H new ATOM 0 HG2 LYS A 81 -14.952 11.953 4.136 1.00 65.33 H new ATOM 0 HG3 LYS A 81 -16.289 13.029 4.491 1.00 65.33 H new ATOM 0 HD2 LYS A 81 -16.848 10.787 5.258 1.00 4.34 H new ATOM 0 HD3 LYS A 81 -17.900 11.214 3.922 1.00 4.34 H new ATOM 0 HE2 LYS A 81 -16.598 9.882 2.366 1.00 44.11 H new ATOM 0 HE3 LYS A 81 -15.336 9.621 3.554 1.00 44.11 H new ATOM 0 HZ1 LYS A 81 -16.464 7.708 3.847 1.00 32.24 H new ATOM 0 HZ2 LYS A 81 -17.415 8.652 4.890 1.00 32.24 H new ATOM 0 HZ3 LYS A 81 -17.943 8.342 3.306 1.00 32.24 H new ATOM 1198 N TYR A 82 -16.590 15.314 1.333 1.00 54.01 N ATOM 1199 CA TYR A 82 -16.487 16.768 1.368 1.00 23.03 C ATOM 1200 C TYR A 82 -16.848 17.373 0.015 1.00 4.01 C ATOM 1201 O TYR A 82 -17.313 18.509 -0.066 1.00 31.13 O ATOM 1202 CB TYR A 82 -15.072 17.190 1.767 1.00 65.20 C ATOM 1203 CG TYR A 82 -14.432 16.276 2.788 1.00 72.33 C ATOM 1204 CD1 TYR A 82 -13.397 15.420 2.431 1.00 71.01 C ATOM 1205 CD2 TYR A 82 -14.863 16.267 4.108 1.00 35.24 C ATOM 1206 CE1 TYR A 82 -12.810 14.582 3.360 1.00 53.52 C ATOM 1207 CE2 TYR A 82 -14.282 15.434 5.044 1.00 24.13 C ATOM 1208 CZ TYR A 82 -13.256 14.594 4.665 1.00 23.52 C ATOM 1209 OH TYR A 82 -12.674 13.761 5.594 1.00 14.22 O ATOM 0 H TYR A 82 -15.982 14.864 0.649 1.00 54.01 H new ATOM 0 HA TYR A 82 -17.193 17.139 2.111 1.00 23.03 H new ATOM 0 HB2 TYR A 82 -14.446 17.220 0.875 1.00 65.20 H new ATOM 0 HB3 TYR A 82 -15.104 18.203 2.168 1.00 65.20 H new ATOM 0 HD1 TYR A 82 -13.045 15.409 1.410 1.00 71.01 H new ATOM 0 HD2 TYR A 82 -15.667 16.923 4.408 1.00 35.24 H new ATOM 0 HE1 TYR A 82 -12.007 13.922 3.066 1.00 53.52 H new ATOM 0 HE2 TYR A 82 -14.629 15.440 6.067 1.00 24.13 H new ATOM 0 HH TYR A 82 -11.910 14.215 6.008 1.00 14.22 H new ATOM 1219 N GLY A 83 -16.629 16.604 -1.047 1.00 73.41 N ATOM 1220 CA GLY A 83 -16.937 17.079 -2.383 1.00 60.03 C ATOM 1221 C GLY A 83 -16.327 18.437 -2.670 1.00 72.34 C ATOM 1222 O GLY A 83 -17.033 19.444 -2.715 1.00 74.43 O ATOM 0 H GLY A 83 -16.244 15.660 -1.006 1.00 73.41 H new ATOM 0 HA2 GLY A 83 -16.572 16.358 -3.115 1.00 60.03 H new ATOM 0 HA3 GLY A 83 -18.019 17.137 -2.504 1.00 60.03 H new ATOM 1226 N GLN A 84 -15.012 18.464 -2.863 1.00 55.43 N ATOM 1227 CA GLN A 84 -14.308 19.710 -3.145 1.00 33.21 C ATOM 1228 C GLN A 84 -14.651 20.775 -2.109 1.00 11.21 C ATOM 1229 O GLN A 84 -15.114 21.862 -2.453 1.00 73.10 O ATOM 1230 CB GLN A 84 -14.659 20.213 -4.546 1.00 62.23 C ATOM 1231 CG GLN A 84 -14.039 19.387 -5.662 1.00 34.41 C ATOM 1232 CD GLN A 84 -15.031 18.435 -6.303 1.00 5.40 C ATOM 1233 OE1 GLN A 84 -15.460 18.640 -7.439 1.00 3.42 O ATOM 1234 NE2 GLN A 84 -15.400 17.387 -5.577 1.00 22.23 N ATOM 0 H GLN A 84 -14.413 17.639 -2.829 1.00 55.43 H new ATOM 0 HA GLN A 84 -13.237 19.512 -3.096 1.00 33.21 H new ATOM 0 HB2 GLN A 84 -15.743 20.211 -4.663 1.00 62.23 H new ATOM 0 HB3 GLN A 84 -14.330 21.247 -4.645 1.00 62.23 H new ATOM 0 HG2 GLN A 84 -13.638 20.055 -6.424 1.00 34.41 H new ATOM 0 HG3 GLN A 84 -13.199 18.817 -5.264 1.00 34.41 H new ATOM 0 HE21 GLN A 84 -15.019 17.256 -4.640 1.00 22.23 H new ATOM 0 HE22 GLN A 84 -16.064 16.712 -5.956 1.00 22.23 H new ATOM 1243 N GLU A 85 -14.420 20.455 -0.839 1.00 53.14 N ATOM 1244 CA GLU A 85 -14.706 21.386 0.246 1.00 34.54 C ATOM 1245 C GLU A 85 -13.999 20.959 1.529 1.00 23.32 C ATOM 1246 O GLU A 85 -14.642 20.669 2.538 1.00 30.14 O ATOM 1247 CB GLU A 85 -16.215 21.474 0.488 1.00 23.42 C ATOM 1248 CG GLU A 85 -16.664 22.812 1.050 1.00 1.00 C ATOM 1249 CD GLU A 85 -16.550 23.937 0.040 1.00 62.25 C ATOM 1250 OE1 GLU A 85 -17.147 23.817 -1.051 1.00 34.04 O ATOM 1251 OE2 GLU A 85 -15.863 24.936 0.338 1.00 13.12 O ATOM 0 H GLU A 85 -14.036 19.559 -0.537 1.00 53.14 H new ATOM 0 HA GLU A 85 -14.334 22.368 -0.045 1.00 34.54 H new ATOM 0 HB2 GLU A 85 -16.736 21.291 -0.451 1.00 23.42 H new ATOM 0 HB3 GLU A 85 -16.511 20.682 1.177 1.00 23.42 H new ATOM 0 HG2 GLU A 85 -17.698 22.733 1.385 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -16.063 23.054 1.927 1.00 1.00 H new ATOM 1258 N ILE A 86 -12.671 20.922 1.482 1.00 53.35 N ATOM 1259 CA ILE A 86 -11.876 20.532 2.639 1.00 33.31 C ATOM 1260 C ILE A 86 -10.590 21.346 2.722 1.00 23.03 C ATOM 1261 O ILE A 86 -10.027 21.743 1.702 1.00 70.23 O ATOM 1262 CB ILE A 86 -11.521 19.034 2.598 1.00 23.33 C ATOM 1263 CG1 ILE A 86 -10.846 18.612 3.905 1.00 31.41 C ATOM 1264 CG2 ILE A 86 -10.619 18.736 1.410 1.00 62.41 C ATOM 1265 CD1 ILE A 86 -11.263 17.239 4.384 1.00 32.15 C ATOM 0 H ILE A 86 -12.123 21.158 0.654 1.00 53.35 H new ATOM 0 HA ILE A 86 -12.485 20.729 3.521 1.00 33.31 H new ATOM 0 HB ILE A 86 -12.441 18.460 2.484 1.00 23.33 H new ATOM 0 HG12 ILE A 86 -9.765 18.627 3.768 1.00 31.41 H new ATOM 0 HG13 ILE A 86 -11.079 19.344 4.678 1.00 31.41 H new ATOM 0 HG21 ILE A 86 -10.377 17.673 1.395 1.00 62.41 H new ATOM 0 HG22 ILE A 86 -11.133 19.005 0.487 1.00 62.41 H new ATOM 0 HG23 ILE A 86 -9.700 19.316 1.496 1.00 62.41 H new ATOM 0 HD11 ILE A 86 -10.746 17.006 5.315 1.00 32.15 H new ATOM 0 HD12 ILE A 86 -12.340 17.224 4.554 1.00 32.15 H new ATOM 0 HD13 ILE A 86 -11.005 16.496 3.629 1.00 32.15 H new ATOM 1277 N ARG A 87 -10.128 21.590 3.945 1.00 74.04 N ATOM 1278 CA ARG A 87 -8.907 22.356 4.161 1.00 13.55 C ATOM 1279 C ARG A 87 -7.817 21.481 4.773 1.00 14.23 C ATOM 1280 O ARG A 87 -8.097 20.606 5.594 1.00 63.12 O ATOM 1281 CB ARG A 87 -9.186 23.553 5.072 1.00 12.54 C ATOM 1282 CG ARG A 87 -10.224 24.514 4.515 1.00 44.31 C ATOM 1283 CD ARG A 87 -9.722 25.209 3.259 1.00 65.02 C ATOM 1284 NE ARG A 87 -10.205 26.584 3.163 1.00 73.40 N ATOM 1285 CZ ARG A 87 -10.167 27.300 2.045 1.00 72.21 C ATOM 1286 NH1 ARG A 87 -9.671 26.774 0.934 1.00 42.15 N ATOM 1287 NH2 ARG A 87 -10.627 28.545 2.037 1.00 62.41 N ATOM 0 H ARG A 87 -10.581 21.268 4.800 1.00 74.04 H new ATOM 0 HA ARG A 87 -8.558 22.717 3.193 1.00 13.55 H new ATOM 0 HB2 ARG A 87 -9.524 23.189 6.042 1.00 12.54 H new ATOM 0 HB3 ARG A 87 -8.255 24.095 5.241 1.00 12.54 H new ATOM 0 HG2 ARG A 87 -11.141 23.970 4.289 1.00 44.31 H new ATOM 0 HG3 ARG A 87 -10.473 25.260 5.270 1.00 44.31 H new ATOM 0 HD2 ARG A 87 -8.632 25.207 3.255 1.00 65.02 H new ATOM 0 HD3 ARG A 87 -10.045 24.649 2.381 1.00 65.02 H new ATOM 0 HE ARG A 87 -10.593 27.018 4.001 1.00 73.40 H new ATOM 0 HH11 ARG A 87 -9.317 25.817 0.936 1.00 42.15 H new ATOM 0 HH12 ARG A 87 -9.643 27.326 0.077 1.00 42.15 H new ATOM 0 HH21 ARG A 87 -11.010 28.953 2.890 1.00 62.41 H new ATOM 0 HH22 ARG A 87 -10.597 29.094 1.178 1.00 62.41 H new ATOM 1301 N LEU A 88 -6.575 21.723 4.369 1.00 74.35 N ATOM 1302 CA LEU A 88 -5.443 20.956 4.876 1.00 4.42 C ATOM 1303 C LEU A 88 -4.871 21.599 6.136 1.00 33.01 C ATOM 1304 O LEU A 88 -4.535 22.784 6.143 1.00 71.54 O ATOM 1305 CB LEU A 88 -4.354 20.848 3.807 1.00 54.23 C ATOM 1306 CG LEU A 88 -4.440 19.633 2.883 1.00 41.05 C ATOM 1307 CD1 LEU A 88 -3.342 19.684 1.831 1.00 33.31 C ATOM 1308 CD2 LEU A 88 -4.352 18.344 3.687 1.00 43.23 C ATOM 0 H LEU A 88 -6.326 22.444 3.692 1.00 74.35 H new ATOM 0 HA LEU A 88 -5.797 19.956 5.128 1.00 4.42 H new ATOM 0 HB2 LEU A 88 -4.384 21.749 3.194 1.00 54.23 H new ATOM 0 HB3 LEU A 88 -3.384 20.833 4.305 1.00 54.23 H new ATOM 0 HG LEU A 88 -5.404 19.655 2.374 1.00 41.05 H new ATOM 0 HD11 LEU A 88 -3.419 18.811 1.182 1.00 33.31 H new ATOM 0 HD12 LEU A 88 -3.451 20.590 1.235 1.00 33.31 H new ATOM 0 HD13 LEU A 88 -2.368 19.687 2.321 1.00 33.31 H new ATOM 0 HD21 LEU A 88 -4.415 17.490 3.013 1.00 43.23 H new ATOM 0 HD22 LEU A 88 -3.404 18.314 4.223 1.00 43.23 H new ATOM 0 HD23 LEU A 88 -5.174 18.304 4.401 1.00 43.23 H new ATOM 1320 N ILE A 89 -4.763 20.810 7.199 1.00 25.44 N ATOM 1321 CA ILE A 89 -4.229 21.301 8.464 1.00 44.05 C ATOM 1322 C ILE A 89 -3.335 20.258 9.125 1.00 24.23 C ATOM 1323 O ILE A 89 -3.467 19.055 8.896 1.00 12.44 O ATOM 1324 CB ILE A 89 -5.356 21.687 9.439 1.00 52.43 C ATOM 1325 CG1 ILE A 89 -6.411 20.580 9.498 1.00 5.11 C ATOM 1326 CG2 ILE A 89 -5.989 23.007 9.021 1.00 24.43 C ATOM 1327 CD1 ILE A 89 -6.966 20.349 10.886 1.00 75.23 C ATOM 0 H ILE A 89 -5.038 19.828 7.210 1.00 25.44 H new ATOM 0 HA ILE A 89 -3.639 22.188 8.234 1.00 44.05 H new ATOM 0 HB ILE A 89 -4.929 21.810 10.434 1.00 52.43 H new ATOM 0 HG12 ILE A 89 -7.230 20.834 8.825 1.00 5.11 H new ATOM 0 HG13 ILE A 89 -5.973 19.652 9.131 1.00 5.11 H new ATOM 0 HG21 ILE A 89 -6.784 23.267 9.720 1.00 24.43 H new ATOM 0 HG22 ILE A 89 -5.232 23.791 9.025 1.00 24.43 H new ATOM 0 HG23 ILE A 89 -6.405 22.910 8.018 1.00 24.43 H new ATOM 0 HD11 ILE A 89 -7.708 19.551 10.853 1.00 75.23 H new ATOM 0 HD12 ILE A 89 -6.157 20.064 11.559 1.00 75.23 H new ATOM 0 HD13 ILE A 89 -7.434 21.265 11.248 1.00 75.23 H new ATOM 1339 N PRO A 90 -2.402 20.727 9.968 1.00 72.51 N ATOM 1340 CA PRO A 90 -1.469 19.851 10.683 1.00 71.43 C ATOM 1341 C PRO A 90 -2.162 19.019 11.757 1.00 61.24 C ATOM 1342 O PRO A 90 -2.087 19.335 12.944 1.00 20.32 O ATOM 1343 CB PRO A 90 -0.480 20.830 11.320 1.00 54.11 C ATOM 1344 CG PRO A 90 -1.243 22.102 11.457 1.00 11.45 C ATOM 1345 CD PRO A 90 -2.187 22.148 10.288 1.00 34.31 C ATOM 0 HA PRO A 90 -1.002 19.124 10.018 1.00 71.43 H new ATOM 0 HB2 PRO A 90 -0.134 20.469 12.289 1.00 54.11 H new ATOM 0 HB3 PRO A 90 0.403 20.963 10.695 1.00 54.11 H new ATOM 0 HG2 PRO A 90 -1.789 22.130 12.400 1.00 11.45 H new ATOM 0 HG3 PRO A 90 -0.573 22.961 11.451 1.00 11.45 H new ATOM 0 HD2 PRO A 90 -3.121 22.648 10.545 1.00 34.31 H new ATOM 0 HD3 PRO A 90 -1.757 22.689 9.445 1.00 34.31 H new ATOM 1353 N ARG A 91 -2.836 17.955 11.332 1.00 65.12 N ATOM 1354 CA ARG A 91 -3.542 17.078 12.258 1.00 53.22 C ATOM 1355 C ARG A 91 -2.973 15.663 12.208 1.00 15.23 C ATOM 1356 O ARG A 91 -2.311 15.283 11.243 1.00 50.24 O ATOM 1357 CB ARG A 91 -5.036 17.051 11.928 1.00 21.22 C ATOM 1358 CG ARG A 91 -5.886 16.401 13.008 1.00 60.24 C ATOM 1359 CD ARG A 91 -7.265 17.036 13.088 1.00 33.12 C ATOM 1360 NE ARG A 91 -8.171 16.272 13.942 1.00 62.52 N ATOM 1361 CZ ARG A 91 -8.130 16.301 15.269 1.00 23.12 C ATOM 1362 NH1 ARG A 91 -7.233 17.053 15.891 1.00 4.24 N ATOM 1363 NH2 ARG A 91 -8.988 15.577 15.977 1.00 44.20 N ATOM 0 H ARG A 91 -2.908 17.680 10.352 1.00 65.12 H new ATOM 0 HA ARG A 91 -3.406 17.470 13.266 1.00 53.22 H new ATOM 0 HB2 ARG A 91 -5.383 18.072 11.770 1.00 21.22 H new ATOM 0 HB3 ARG A 91 -5.183 16.515 10.990 1.00 21.22 H new ATOM 0 HG2 ARG A 91 -5.986 15.335 12.802 1.00 60.24 H new ATOM 0 HG3 ARG A 91 -5.385 16.493 13.972 1.00 60.24 H new ATOM 0 HD2 ARG A 91 -7.175 18.052 13.473 1.00 33.12 H new ATOM 0 HD3 ARG A 91 -7.688 17.111 12.086 1.00 33.12 H new ATOM 0 HE ARG A 91 -8.874 15.684 13.494 1.00 62.52 H new ATOM 0 HH11 ARG A 91 -6.572 17.611 15.350 1.00 4.24 H new ATOM 0 HH12 ARG A 91 -7.204 17.074 16.910 1.00 4.24 H new ATOM 0 HH21 ARG A 91 -9.680 14.997 15.502 1.00 44.20 H new ATOM 0 HH22 ARG A 91 -8.955 15.600 16.996 1.00 44.20 H new ATOM 1377 N ASP A 92 -3.236 14.889 13.255 1.00 33.30 N ATOM 1378 CA ASP A 92 -2.751 13.515 13.331 1.00 13.51 C ATOM 1379 C ASP A 92 -1.226 13.478 13.356 1.00 15.32 C ATOM 1380 O ASP A 92 -0.612 12.507 12.915 1.00 71.01 O ATOM 1381 CB ASP A 92 -3.274 12.701 12.147 1.00 52.03 C ATOM 1382 CG ASP A 92 -3.707 11.305 12.550 1.00 42.10 C ATOM 1383 OD1 ASP A 92 -4.717 10.815 12.003 1.00 51.32 O ATOM 1384 OD2 ASP A 92 -3.034 10.702 13.412 1.00 34.01 O ATOM 0 H ASP A 92 -3.782 15.189 14.063 1.00 33.30 H new ATOM 0 HA ASP A 92 -3.122 13.075 14.256 1.00 13.51 H new ATOM 0 HB2 ASP A 92 -4.117 13.223 11.695 1.00 52.03 H new ATOM 0 HB3 ASP A 92 -2.497 12.632 11.386 1.00 52.03 H new ATOM 1389 N ARG A 93 -0.622 14.543 13.874 1.00 32.54 N ATOM 1390 CA ARG A 93 0.831 14.632 13.955 1.00 53.52 C ATOM 1391 C ARG A 93 1.259 15.422 15.188 1.00 1.31 C ATOM 1392 O ARG A 93 1.899 14.884 16.092 1.00 42.14 O ATOM 1393 CB ARG A 93 1.393 15.291 12.694 1.00 52.14 C ATOM 1394 CG ARG A 93 2.900 15.153 12.555 1.00 40.15 C ATOM 1395 CD ARG A 93 3.303 14.862 11.117 1.00 15.22 C ATOM 1396 NE ARG A 93 4.514 15.581 10.732 1.00 61.10 N ATOM 1397 CZ ARG A 93 5.718 15.306 11.221 1.00 64.05 C ATOM 1398 NH1 ARG A 93 5.871 14.333 12.108 1.00 1.02 N ATOM 1399 NH2 ARG A 93 6.773 16.005 10.821 1.00 62.33 N ATOM 0 H ARG A 93 -1.116 15.355 14.243 1.00 32.54 H new ATOM 0 HA ARG A 93 1.228 13.620 14.037 1.00 53.52 H new ATOM 0 HB2 ARG A 93 0.914 14.850 11.820 1.00 52.14 H new ATOM 0 HB3 ARG A 93 1.133 16.349 12.700 1.00 52.14 H new ATOM 0 HG2 ARG A 93 3.383 16.071 12.891 1.00 40.15 H new ATOM 0 HG3 ARG A 93 3.254 14.351 13.203 1.00 40.15 H new ATOM 0 HD2 ARG A 93 3.463 13.791 10.995 1.00 15.22 H new ATOM 0 HD3 ARG A 93 2.488 15.140 10.449 1.00 15.22 H new ATOM 0 HE ARG A 93 4.431 16.335 10.051 1.00 61.10 H new ATOM 0 HH11 ARG A 93 5.063 13.793 12.417 1.00 1.02 H new ATOM 0 HH12 ARG A 93 6.797 14.124 12.482 1.00 1.02 H new ATOM 0 HH21 ARG A 93 6.659 16.754 10.138 1.00 62.33 H new ATOM 0 HH22 ARG A 93 7.697 15.793 11.197 1.00 62.33 H new ATOM 1413 N VAL A 94 0.902 16.702 15.218 1.00 11.43 N ATOM 1414 CA VAL A 94 1.249 17.567 16.340 1.00 35.53 C ATOM 1415 C VAL A 94 0.550 17.115 17.618 1.00 54.32 C ATOM 1416 O VAL A 94 1.198 16.735 18.592 1.00 41.43 O ATOM 1417 CB VAL A 94 0.876 19.033 16.055 1.00 52.51 C ATOM 1418 CG1 VAL A 94 1.321 19.930 17.200 1.00 42.21 C ATOM 1419 CG2 VAL A 94 1.487 19.492 14.739 1.00 32.32 C ATOM 0 H VAL A 94 0.373 17.163 14.478 1.00 11.43 H new ATOM 0 HA VAL A 94 2.328 17.495 16.474 1.00 35.53 H new ATOM 0 HB VAL A 94 -0.208 19.104 15.970 1.00 52.51 H new ATOM 0 HG11 VAL A 94 1.049 20.962 16.980 1.00 42.21 H new ATOM 0 HG12 VAL A 94 0.832 19.614 18.121 1.00 42.21 H new ATOM 0 HG13 VAL A 94 2.402 19.858 17.320 1.00 42.21 H new ATOM 0 HG21 VAL A 94 1.213 20.531 14.553 1.00 32.32 H new ATOM 0 HG22 VAL A 94 2.572 19.407 14.793 1.00 32.32 H new ATOM 0 HG23 VAL A 94 1.114 18.868 13.927 1.00 32.32 H new ATOM 1429 N GLY A 95 -0.779 17.160 17.606 1.00 33.53 N ATOM 1430 CA GLY A 95 -1.545 16.752 18.770 1.00 52.13 C ATOM 1431 C GLY A 95 -2.025 17.933 19.590 1.00 32.33 C ATOM 1432 O GLY A 95 -1.470 18.228 20.649 1.00 51.14 O ATOM 0 H GLY A 95 -1.338 17.471 16.812 1.00 33.53 H new ATOM 0 HA2 GLY A 95 -2.404 16.164 18.448 1.00 52.13 H new ATOM 0 HA3 GLY A 95 -0.932 16.104 19.396 1.00 52.13 H new