USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 37 THR OG1 : rot -90:sc= 0.155 USER MOD Set 1.2: A 69 THR OG1 : rot -83:sc= 1.35 USER MOD Set 2.1: A 12 MET CE :methyl -138:sc= -0.0522 (180deg=-0.753) USER MOD Set 2.2: A 68 THR OG1 : rot -74:sc= 0.968 USER MOD Single : A 13 TYR OH : rot 150:sc= 0.432 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.99 K(o=0.99,f=-1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -134:sc= 2.15 (180deg=1.29) USER MOD Single : A 29 SER OG : rot 180:sc= 0.163 USER MOD Single : A 35 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.8!) USER MOD Single : A 38 GLN : amide:sc=-0.00619 K(o=-0.0062,f=-3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -45:sc= 0.0328 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -120:sc= -0.509 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 0.843 (180deg=0.708) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0229 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -18:sc= 0.182 USER MOD Single : A 93 MET CE :methyl -177:sc= -3.08! (180deg=-3.3!) USER MOD Single : A 94 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.452 F(o=-1.8,f=-0.45) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= -0.046 (180deg=-0.273) USER MOD Single : A 110 SER OG : rot 43:sc= 1.27 USER MOD Single : A 125 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.43) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 130:sc=-0.00697 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 20.146 5.605 -2.979 1.00 0.00 N ATOM 110 CA GLY A 10 18.759 5.170 -2.924 1.00 0.00 C ATOM 111 C GLY A 10 18.137 5.693 -1.632 1.00 0.00 C ATOM 112 O GLY A 10 18.290 6.873 -1.317 1.00 0.00 O ATOM 0 HA2 GLY A 10 18.210 5.546 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.702 4.082 -2.958 1.00 0.00 H new ATOM 116 N ALA A 11 17.425 4.831 -0.905 1.00 0.00 N ATOM 117 CA ALA A 11 16.961 5.030 0.472 1.00 0.00 C ATOM 118 C ALA A 11 16.567 3.652 1.035 1.00 0.00 C ATOM 119 O ALA A 11 16.766 2.636 0.364 1.00 0.00 O ATOM 120 CB ALA A 11 15.780 6.018 0.541 1.00 0.00 C ATOM 0 H ALA A 11 17.140 3.926 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 11 17.759 5.471 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.466 6.138 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.090 6.984 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.948 5.632 -0.048 1.00 0.00 H new ATOM 126 N MET A 12 16.020 3.591 2.251 1.00 0.00 N ATOM 127 CA MET A 12 14.982 2.620 2.572 1.00 0.00 C ATOM 128 C MET A 12 13.633 3.306 2.440 1.00 0.00 C ATOM 129 O MET A 12 13.548 4.533 2.566 1.00 0.00 O ATOM 130 CB MET A 12 15.069 2.163 4.024 1.00 0.00 C ATOM 131 CG MET A 12 16.486 1.880 4.477 1.00 0.00 C ATOM 132 SD MET A 12 17.325 0.506 3.669 1.00 0.00 S ATOM 133 CE MET A 12 16.244 -0.875 4.167 1.00 0.00 C ATOM 0 H MET A 12 16.280 4.202 3.025 1.00 0.00 H new ATOM 0 HA MET A 12 15.105 1.770 1.901 1.00 0.00 H new ATOM 0 HB2 MET A 12 14.636 2.930 4.666 1.00 0.00 H new ATOM 0 HB3 MET A 12 14.467 1.263 4.152 1.00 0.00 H new ATOM 0 HG2 MET A 12 17.080 2.781 4.324 1.00 0.00 H new ATOM 0 HG3 MET A 12 16.470 1.687 5.550 1.00 0.00 H new ATOM 0 HE1 MET A 12 16.855 -1.734 4.443 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.637 -0.572 5.020 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.593 -1.145 3.336 1.00 0.00 H new ATOM 143 N TYR A 13 12.594 2.486 2.355 1.00 0.00 N ATOM 144 CA TYR A 13 11.199 2.892 2.404 1.00 0.00 C ATOM 145 C TYR A 13 10.367 1.796 3.085 1.00 0.00 C ATOM 146 O TYR A 13 10.722 0.609 3.058 1.00 0.00 O ATOM 147 CB TYR A 13 10.657 3.165 0.990 1.00 0.00 C ATOM 148 CG TYR A 13 10.982 4.519 0.372 1.00 0.00 C ATOM 149 CD1 TYR A 13 10.445 5.680 0.957 1.00 0.00 C ATOM 150 CD2 TYR A 13 11.721 4.629 -0.827 1.00 0.00 C ATOM 151 CE1 TYR A 13 10.685 6.935 0.377 1.00 0.00 C ATOM 152 CE2 TYR A 13 11.968 5.884 -1.422 1.00 0.00 C ATOM 153 CZ TYR A 13 11.474 7.049 -0.789 1.00 0.00 C ATOM 154 OH TYR A 13 11.733 8.298 -1.264 1.00 0.00 O ATOM 0 H TYR A 13 12.707 1.478 2.245 1.00 0.00 H new ATOM 0 HA TYR A 13 11.125 3.815 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.039 2.390 0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.573 3.057 1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.847 5.605 1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.104 3.735 -1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.263 7.822 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.525 5.954 -2.345 1.00 0.00 H new ATOM 0 HH TYR A 13 12.602 8.302 -1.717 1.00 0.00 H new ATOM 164 N GLU A 14 9.243 2.206 3.668 1.00 0.00 N ATOM 165 CA GLU A 14 8.313 1.415 4.452 1.00 0.00 C ATOM 166 C GLU A 14 6.944 2.083 4.300 1.00 0.00 C ATOM 167 O GLU A 14 6.851 3.306 4.385 1.00 0.00 O ATOM 168 CB GLU A 14 8.830 1.431 5.900 1.00 0.00 C ATOM 169 CG GLU A 14 7.841 1.008 6.992 1.00 0.00 C ATOM 170 CD GLU A 14 8.517 1.074 8.365 1.00 0.00 C ATOM 171 OE1 GLU A 14 9.069 2.143 8.724 1.00 0.00 O ATOM 172 OE2 GLU A 14 8.516 0.081 9.126 1.00 0.00 O ATOM 0 H GLU A 14 8.940 3.177 3.595 1.00 0.00 H new ATOM 0 HA GLU A 14 8.226 0.376 4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.700 0.776 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.175 2.440 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.968 1.660 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.486 -0.005 6.800 1.00 0.00 H new ATOM 179 N VAL A 15 5.890 1.308 4.061 1.00 0.00 N ATOM 180 CA VAL A 15 4.497 1.763 3.995 1.00 0.00 C ATOM 181 C VAL A 15 3.631 0.950 4.959 1.00 0.00 C ATOM 182 O VAL A 15 3.911 -0.222 5.224 1.00 0.00 O ATOM 183 CB VAL A 15 3.979 1.715 2.535 1.00 0.00 C ATOM 184 CG1 VAL A 15 3.919 0.288 1.962 1.00 0.00 C ATOM 185 CG2 VAL A 15 2.597 2.353 2.334 1.00 0.00 C ATOM 0 H VAL A 15 5.982 0.305 3.901 1.00 0.00 H new ATOM 0 HA VAL A 15 4.438 2.804 4.313 1.00 0.00 H new ATOM 0 HB VAL A 15 4.721 2.305 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.549 0.323 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.917 -0.151 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.249 -0.320 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.310 2.277 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.863 1.833 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.635 3.403 2.624 1.00 0.00 H new ATOM 195 N THR A 16 2.540 1.542 5.436 1.00 0.00 N ATOM 196 CA THR A 16 1.518 0.862 6.216 1.00 0.00 C ATOM 197 C THR A 16 0.169 0.959 5.507 1.00 0.00 C ATOM 198 O THR A 16 -0.055 1.846 4.673 1.00 0.00 O ATOM 199 CB THR A 16 1.471 1.466 7.628 1.00 0.00 C ATOM 200 OG1 THR A 16 1.374 2.877 7.574 1.00 0.00 O ATOM 201 CG2 THR A 16 2.707 1.105 8.453 1.00 0.00 C ATOM 0 H THR A 16 2.340 2.531 5.286 1.00 0.00 H new ATOM 0 HA THR A 16 1.760 -0.197 6.309 1.00 0.00 H new ATOM 0 HB THR A 16 0.587 1.044 8.107 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.344 3.238 8.485 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.628 1.555 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.775 0.022 8.551 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.600 1.481 7.954 1.00 0.00 H new ATOM 209 N ILE A 17 -0.735 0.036 5.829 1.00 0.00 N ATOM 210 CA ILE A 17 -2.102 0.027 5.352 1.00 0.00 C ATOM 211 C ILE A 17 -2.978 -0.468 6.491 1.00 0.00 C ATOM 212 O ILE A 17 -2.869 -1.629 6.854 1.00 0.00 O ATOM 213 CB ILE A 17 -2.206 -0.813 4.052 1.00 0.00 C ATOM 214 CG1 ILE A 17 -3.654 -0.953 3.537 1.00 0.00 C ATOM 215 CG2 ILE A 17 -1.578 -2.218 4.108 1.00 0.00 C ATOM 216 CD1 ILE A 17 -4.340 0.390 3.282 1.00 0.00 C ATOM 0 H ILE A 17 -0.523 -0.746 6.448 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.449 1.022 5.074 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.611 -0.220 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.649 -1.531 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.237 -1.518 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.709 -2.714 3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.514 -2.132 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.065 -2.804 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.354 0.218 2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.376 0.962 4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.779 0.949 2.533 1.00 0.00 H new ATOM 228 N GLU A 18 -3.804 0.391 7.081 1.00 0.00 N ATOM 229 CA GLU A 18 -4.753 0.037 8.137 1.00 0.00 C ATOM 230 C GLU A 18 -6.147 0.088 7.508 1.00 0.00 C ATOM 231 O GLU A 18 -6.479 1.057 6.817 1.00 0.00 O ATOM 232 CB GLU A 18 -4.593 1.033 9.303 1.00 0.00 C ATOM 233 CG GLU A 18 -3.591 0.546 10.368 1.00 0.00 C ATOM 234 CD GLU A 18 -4.186 -0.413 11.414 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.395 -0.726 11.333 1.00 0.00 O ATOM 236 OE2 GLU A 18 -3.462 -0.885 12.331 1.00 0.00 O ATOM 0 H GLU A 18 -3.834 1.380 6.833 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.581 -0.959 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.262 1.995 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.564 1.197 9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.762 0.047 9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.177 1.413 10.883 1.00 0.00 H new ATOM 243 N GLN A 19 -6.982 -0.933 7.717 1.00 0.00 N ATOM 244 CA GLN A 19 -8.245 -1.122 7.007 1.00 0.00 C ATOM 245 C GLN A 19 -9.408 -1.048 7.998 1.00 0.00 C ATOM 246 O GLN A 19 -9.496 -1.831 8.948 1.00 0.00 O ATOM 247 CB GLN A 19 -8.227 -2.464 6.242 1.00 0.00 C ATOM 248 CG GLN A 19 -7.299 -2.411 5.016 1.00 0.00 C ATOM 249 CD GLN A 19 -6.766 -3.775 4.571 1.00 0.00 C ATOM 250 OE1 GLN A 19 -5.558 -3.954 4.505 1.00 0.00 O ATOM 251 NE2 GLN A 19 -7.623 -4.709 4.188 1.00 0.00 N ATOM 0 H GLN A 19 -6.793 -1.666 8.400 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.378 -0.327 6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.900 -3.259 6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.239 -2.713 5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.839 -1.956 4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.455 -1.760 5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.626 -4.538 4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.280 -5.600 3.829 1.00 0.00 H new ATOM 260 N SER A 20 -10.327 -0.104 7.776 1.00 0.00 N ATOM 261 CA SER A 20 -11.549 0.027 8.560 1.00 0.00 C ATOM 262 C SER A 20 -12.753 0.242 7.646 1.00 0.00 C ATOM 263 O SER A 20 -12.606 0.442 6.434 1.00 0.00 O ATOM 264 CB SER A 20 -11.438 1.199 9.540 1.00 0.00 C ATOM 265 OG SER A 20 -10.216 1.241 10.262 1.00 0.00 O ATOM 0 H SER A 20 -10.239 0.595 7.039 1.00 0.00 H new ATOM 0 HA SER A 20 -11.687 -0.897 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.553 2.132 8.988 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.264 1.145 10.249 1.00 0.00 H new ATOM 0 HG SER A 20 -10.218 2.014 10.864 1.00 0.00 H new ATOM 271 N GLY A 21 -13.944 0.217 8.246 1.00 0.00 N ATOM 272 CA GLY A 21 -15.181 0.057 7.517 1.00 0.00 C ATOM 273 C GLY A 21 -15.235 -1.344 6.926 1.00 0.00 C ATOM 274 O GLY A 21 -14.522 -2.248 7.368 1.00 0.00 O ATOM 0 H GLY A 21 -14.067 0.308 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.031 0.218 8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.249 0.802 6.724 1.00 0.00 H new ATOM 278 N ASP A 22 -16.125 -1.553 5.965 1.00 0.00 N ATOM 279 CA ASP A 22 -16.588 -2.889 5.598 1.00 0.00 C ATOM 280 C ASP A 22 -15.646 -3.536 4.573 1.00 0.00 C ATOM 281 O ASP A 22 -16.043 -3.899 3.471 1.00 0.00 O ATOM 282 CB ASP A 22 -18.058 -2.799 5.149 1.00 0.00 C ATOM 283 CG ASP A 22 -18.942 -3.971 5.604 1.00 0.00 C ATOM 284 OD1 ASP A 22 -18.462 -4.863 6.347 1.00 0.00 O ATOM 285 OD2 ASP A 22 -20.173 -3.905 5.374 1.00 0.00 O ATOM 0 H ASP A 22 -16.547 -0.803 5.417 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.559 -3.559 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -18.484 -1.871 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.088 -2.740 4.061 1.00 0.00 H new ATOM 290 N PHE A 23 -14.366 -3.693 4.940 1.00 0.00 N ATOM 291 CA PHE A 23 -13.259 -4.255 4.142 1.00 0.00 C ATOM 292 C PHE A 23 -13.412 -5.732 3.728 1.00 0.00 C ATOM 293 O PHE A 23 -12.432 -6.420 3.459 1.00 0.00 O ATOM 294 CB PHE A 23 -11.917 -3.983 4.864 1.00 0.00 C ATOM 295 CG PHE A 23 -11.543 -4.903 6.021 1.00 0.00 C ATOM 296 CD1 PHE A 23 -11.940 -4.607 7.340 1.00 0.00 C ATOM 297 CD2 PHE A 23 -10.742 -6.042 5.787 1.00 0.00 C ATOM 298 CE1 PHE A 23 -11.559 -5.455 8.396 1.00 0.00 C ATOM 299 CE2 PHE A 23 -10.367 -6.885 6.843 1.00 0.00 C ATOM 300 CZ PHE A 23 -10.776 -6.595 8.152 1.00 0.00 C ATOM 0 H PHE A 23 -14.051 -3.411 5.868 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.282 -3.734 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.120 -4.033 4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.938 -2.960 5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.537 -3.729 7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.414 -6.267 4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.872 -5.227 9.404 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.763 -7.758 6.648 1.00 0.00 H new ATOM 0 HZ PHE A 23 -10.491 -7.244 8.967 1.00 0.00 H new ATOM 310 N ARG A 24 -14.635 -6.248 3.710 1.00 0.00 N ATOM 311 CA ARG A 24 -14.977 -7.624 3.414 1.00 0.00 C ATOM 312 C ARG A 24 -15.811 -7.666 2.125 1.00 0.00 C ATOM 313 O ARG A 24 -16.439 -8.689 1.844 1.00 0.00 O ATOM 314 CB ARG A 24 -15.717 -8.225 4.627 1.00 0.00 C ATOM 315 CG ARG A 24 -15.060 -7.954 6.000 1.00 0.00 C ATOM 316 CD ARG A 24 -15.528 -6.628 6.632 1.00 0.00 C ATOM 317 NE ARG A 24 -14.939 -6.367 7.958 1.00 0.00 N ATOM 318 CZ ARG A 24 -15.531 -6.635 9.126 1.00 0.00 C ATOM 319 NH1 ARG A 24 -16.637 -7.375 9.140 1.00 0.00 N ATOM 320 NH2 ARG A 24 -15.040 -6.163 10.270 1.00 0.00 N ATOM 0 H ARG A 24 -15.458 -5.681 3.914 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.086 -8.228 3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -16.733 -7.831 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -15.796 -9.303 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -15.291 -8.776 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.977 -7.933 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.274 -5.806 5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.614 -6.641 6.722 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.009 -5.950 7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.024 -7.731 8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -17.098 -7.586 10.025 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.199 -5.586 10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.505 -6.378 11.152 1.00 0.00 H new ATOM 334 N SER A 25 -15.881 -6.563 1.373 1.00 0.00 N ATOM 335 CA SER A 25 -16.961 -6.293 0.429 1.00 0.00 C ATOM 336 C SER A 25 -16.495 -5.583 -0.853 1.00 0.00 C ATOM 337 O SER A 25 -17.332 -5.316 -1.721 1.00 0.00 O ATOM 338 CB SER A 25 -18.004 -5.429 1.158 1.00 0.00 C ATOM 339 OG SER A 25 -18.464 -6.041 2.358 1.00 0.00 O ATOM 0 H SER A 25 -15.178 -5.825 1.406 1.00 0.00 H new ATOM 0 HA SER A 25 -17.376 -7.247 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 25 -17.569 -4.457 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.851 -5.249 0.496 1.00 0.00 H new ATOM 0 HG SER A 25 -19.123 -5.459 2.790 1.00 0.00 H new ATOM 345 N PHE A 26 -15.201 -5.268 -0.992 1.00 0.00 N ATOM 346 CA PHE A 26 -14.667 -4.385 -2.025 1.00 0.00 C ATOM 347 C PHE A 26 -13.382 -4.975 -2.592 1.00 0.00 C ATOM 348 O PHE A 26 -12.467 -5.239 -1.816 1.00 0.00 O ATOM 349 CB PHE A 26 -14.364 -3.008 -1.430 1.00 0.00 C ATOM 350 CG PHE A 26 -15.539 -2.339 -0.764 1.00 0.00 C ATOM 351 CD1 PHE A 26 -16.627 -1.912 -1.540 1.00 0.00 C ATOM 352 CD2 PHE A 26 -15.542 -2.137 0.626 1.00 0.00 C ATOM 353 CE1 PHE A 26 -17.718 -1.290 -0.924 1.00 0.00 C ATOM 354 CE2 PHE A 26 -16.654 -1.537 1.246 1.00 0.00 C ATOM 355 CZ PHE A 26 -17.743 -1.113 0.466 1.00 0.00 C ATOM 0 H PHE A 26 -14.480 -5.633 -0.369 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.407 -4.284 -2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.560 -3.111 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.994 -2.358 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.622 -2.063 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.692 -2.442 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.547 -0.944 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.670 -1.403 2.318 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.598 -0.651 0.937 1.00 0.00 H new ATOM 365 N ILE A 27 -13.291 -5.136 -3.916 1.00 0.00 N ATOM 366 CA ILE A 27 -12.106 -5.645 -4.610 1.00 0.00 C ATOM 367 C ILE A 27 -10.905 -4.709 -4.384 1.00 0.00 C ATOM 368 O ILE A 27 -10.686 -3.769 -5.160 1.00 0.00 O ATOM 369 CB ILE A 27 -12.390 -5.841 -6.122 1.00 0.00 C ATOM 370 CG1 ILE A 27 -13.578 -6.792 -6.394 1.00 0.00 C ATOM 371 CG2 ILE A 27 -11.143 -6.434 -6.814 1.00 0.00 C ATOM 372 CD1 ILE A 27 -14.003 -6.887 -7.866 1.00 0.00 C ATOM 0 H ILE A 27 -14.058 -4.910 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.856 -6.621 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.640 -4.857 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.315 -7.789 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.433 -6.461 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.347 -6.570 -7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.300 -5.754 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.901 -7.397 -6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -14.842 -7.576 -7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.302 -5.901 -8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.167 -7.251 -8.463 1.00 0.00 H new ATOM 384 N LYS A 28 -10.124 -4.945 -3.329 1.00 0.00 N ATOM 385 CA LYS A 28 -8.908 -4.192 -3.039 1.00 0.00 C ATOM 386 C LYS A 28 -7.804 -4.631 -4.007 1.00 0.00 C ATOM 387 O LYS A 28 -7.911 -5.642 -4.705 1.00 0.00 O ATOM 388 CB LYS A 28 -8.565 -4.389 -1.545 1.00 0.00 C ATOM 389 CG LYS A 28 -8.056 -3.140 -0.809 1.00 0.00 C ATOM 390 CD LYS A 28 -6.554 -3.177 -0.487 1.00 0.00 C ATOM 391 CE LYS A 28 -6.113 -1.947 0.325 1.00 0.00 C ATOM 392 NZ LYS A 28 -6.026 -0.724 -0.506 1.00 0.00 N ATOM 0 H LYS A 28 -10.323 -5.674 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.034 -3.121 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.455 -4.754 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.808 -5.169 -1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.266 -2.261 -1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.614 -3.025 0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.325 -4.084 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.984 -3.223 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.818 -1.780 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.142 -2.144 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.136 -0.226 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.051 -0.986 -1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.830 -0.100 -0.291 1.00 0.00 H new ATOM 406 N SER A 29 -6.750 -3.830 -4.116 1.00 0.00 N ATOM 407 CA SER A 29 -5.609 -4.031 -4.990 1.00 0.00 C ATOM 408 C SER A 29 -4.427 -3.221 -4.458 1.00 0.00 C ATOM 409 O SER A 29 -4.621 -2.059 -4.084 1.00 0.00 O ATOM 410 CB SER A 29 -5.997 -3.522 -6.381 1.00 0.00 C ATOM 411 OG SER A 29 -6.682 -2.275 -6.337 1.00 0.00 O ATOM 0 H SER A 29 -6.668 -2.976 -3.564 1.00 0.00 H new ATOM 0 HA SER A 29 -5.329 -5.083 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.098 -3.417 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.629 -4.262 -6.871 1.00 0.00 H new ATOM 0 HG SER A 29 -6.906 -1.993 -7.248 1.00 0.00 H new ATOM 417 N VAL A 30 -3.210 -3.768 -4.444 1.00 0.00 N ATOM 418 CA VAL A 30 -2.007 -3.022 -4.096 1.00 0.00 C ATOM 419 C VAL A 30 -0.891 -3.429 -5.062 1.00 0.00 C ATOM 420 O VAL A 30 -0.248 -4.466 -4.914 1.00 0.00 O ATOM 421 CB VAL A 30 -1.620 -3.186 -2.611 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.730 -2.011 -2.177 1.00 0.00 C ATOM 423 CG2 VAL A 30 -2.816 -3.220 -1.648 1.00 0.00 C ATOM 0 H VAL A 30 -3.034 -4.746 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.194 -1.954 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.110 -4.147 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.458 -2.129 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.173 -1.994 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.273 -1.075 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.457 -3.338 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.376 -2.289 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.465 -4.058 -1.903 1.00 0.00 H new ATOM 433 N VAL A 31 -0.680 -2.617 -6.091 1.00 0.00 N ATOM 434 CA VAL A 31 0.531 -2.638 -6.900 1.00 0.00 C ATOM 435 C VAL A 31 1.644 -2.137 -5.969 1.00 0.00 C ATOM 436 O VAL A 31 1.476 -1.054 -5.397 1.00 0.00 O ATOM 437 CB VAL A 31 0.357 -1.658 -8.081 1.00 0.00 C ATOM 438 CG1 VAL A 31 1.545 -1.718 -9.051 1.00 0.00 C ATOM 439 CG2 VAL A 31 -0.957 -1.841 -8.865 1.00 0.00 C ATOM 0 H VAL A 31 -1.356 -1.915 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 31 0.753 -3.626 -7.303 1.00 0.00 H new ATOM 0 HB VAL A 31 0.315 -0.674 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.384 -1.014 -9.867 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.461 -1.456 -8.521 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.635 -2.727 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.001 -1.115 -9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.997 -2.849 -9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.804 -1.689 -8.196 1.00 0.00 H new ATOM 449 N VAL A 32 2.758 -2.862 -5.818 1.00 0.00 N ATOM 450 CA VAL A 32 3.928 -2.360 -5.093 1.00 0.00 C ATOM 451 C VAL A 32 5.196 -2.766 -5.846 1.00 0.00 C ATOM 452 O VAL A 32 5.385 -3.954 -6.127 1.00 0.00 O ATOM 453 CB VAL A 32 3.955 -2.853 -3.630 1.00 0.00 C ATOM 454 CG1 VAL A 32 5.114 -2.193 -2.863 1.00 0.00 C ATOM 455 CG2 VAL A 32 2.657 -2.586 -2.859 1.00 0.00 C ATOM 0 H VAL A 32 2.873 -3.804 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 32 3.872 -1.272 -5.047 1.00 0.00 H new ATOM 0 HB VAL A 32 4.085 -3.933 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.119 -2.551 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.059 -2.449 -3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.985 -1.111 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.755 -2.961 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.463 -1.514 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.829 -3.093 -3.354 1.00 0.00 H new ATOM 465 N VAL A 33 6.076 -1.805 -6.137 1.00 0.00 N ATOM 466 CA VAL A 33 7.361 -2.004 -6.817 1.00 0.00 C ATOM 467 C VAL A 33 8.496 -1.780 -5.804 1.00 0.00 C ATOM 468 O VAL A 33 8.293 -1.072 -4.816 1.00 0.00 O ATOM 469 CB VAL A 33 7.452 -1.058 -8.045 1.00 0.00 C ATOM 470 CG1 VAL A 33 8.636 -1.375 -8.981 1.00 0.00 C ATOM 471 CG2 VAL A 33 6.172 -1.114 -8.903 1.00 0.00 C ATOM 0 H VAL A 33 5.908 -0.828 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 33 7.451 -3.022 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 33 7.593 -0.068 -7.612 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.637 -0.675 -9.816 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.571 -1.282 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.538 -2.392 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.274 -0.439 -9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.020 -2.131 -9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.316 -0.812 -8.300 1.00 0.00 H new ATOM 481 N ALA A 34 9.675 -2.381 -6.025 1.00 0.00 N ATOM 482 CA ALA A 34 10.915 -2.022 -5.340 1.00 0.00 C ATOM 483 C ALA A 34 12.104 -2.202 -6.286 1.00 0.00 C ATOM 484 O ALA A 34 12.547 -3.331 -6.521 1.00 0.00 O ATOM 485 CB ALA A 34 11.109 -2.832 -4.063 1.00 0.00 C ATOM 0 H ALA A 34 9.790 -3.141 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 34 10.850 -0.974 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.042 -2.536 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.276 -2.646 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.148 -3.893 -4.308 1.00 0.00 H new ATOM 491 N ASN A 35 12.610 -1.087 -6.812 1.00 0.00 N ATOM 492 CA ASN A 35 13.870 -0.989 -7.542 1.00 0.00 C ATOM 493 C ASN A 35 15.015 -1.463 -6.635 1.00 0.00 C ATOM 494 O ASN A 35 15.451 -0.705 -5.767 1.00 0.00 O ATOM 495 CB ASN A 35 14.082 0.471 -8.017 1.00 0.00 C ATOM 496 CG ASN A 35 15.299 0.663 -8.925 1.00 0.00 C ATOM 497 OD1 ASN A 35 16.230 -0.133 -8.934 1.00 0.00 O ATOM 498 ND2 ASN A 35 15.346 1.751 -9.684 1.00 0.00 N ATOM 0 H ASN A 35 12.131 -0.190 -6.737 1.00 0.00 H new ATOM 0 HA ASN A 35 13.849 -1.627 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.190 0.802 -8.549 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.189 1.114 -7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.158 1.925 -10.276 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.570 2.413 -9.675 1.00 0.00 H new ATOM 505 N GLY A 36 15.497 -2.698 -6.806 1.00 0.00 N ATOM 506 CA GLY A 36 16.829 -3.093 -6.358 1.00 0.00 C ATOM 507 C GLY A 36 16.937 -3.872 -5.046 1.00 0.00 C ATOM 508 O GLY A 36 18.069 -4.076 -4.603 1.00 0.00 O ATOM 0 H GLY A 36 14.974 -3.448 -7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.282 -3.697 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.432 -2.190 -6.262 1.00 0.00 H new ATOM 512 N THR A 37 15.843 -4.317 -4.416 1.00 0.00 N ATOM 513 CA THR A 37 15.862 -5.362 -3.382 1.00 0.00 C ATOM 514 C THR A 37 14.419 -5.867 -3.165 1.00 0.00 C ATOM 515 O THR A 37 13.475 -5.360 -3.784 1.00 0.00 O ATOM 516 CB THR A 37 16.579 -4.859 -2.099 1.00 0.00 C ATOM 517 OG1 THR A 37 17.082 -5.907 -1.289 1.00 0.00 O ATOM 518 CG2 THR A 37 15.687 -3.988 -1.228 1.00 0.00 C ATOM 0 H THR A 37 14.908 -3.958 -4.611 1.00 0.00 H new ATOM 0 HA THR A 37 16.452 -6.221 -3.702 1.00 0.00 H new ATOM 0 HB THR A 37 17.412 -4.269 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.399 -6.176 -0.640 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.242 -3.666 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.367 -3.114 -1.795 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.812 -4.559 -0.918 1.00 0.00 H new ATOM 526 N GLN A 38 14.225 -6.850 -2.279 1.00 0.00 N ATOM 527 CA GLN A 38 12.947 -7.498 -2.043 1.00 0.00 C ATOM 528 C GLN A 38 12.218 -6.847 -0.871 1.00 0.00 C ATOM 529 O GLN A 38 12.815 -6.103 -0.081 1.00 0.00 O ATOM 530 CB GLN A 38 13.138 -9.015 -1.874 1.00 0.00 C ATOM 531 CG GLN A 38 12.954 -9.715 -3.232 1.00 0.00 C ATOM 532 CD GLN A 38 14.188 -9.793 -4.125 1.00 0.00 C ATOM 533 OE1 GLN A 38 15.127 -9.002 -4.044 1.00 0.00 O ATOM 534 NE2 GLN A 38 14.222 -10.743 -5.037 1.00 0.00 N ATOM 0 H GLN A 38 14.976 -7.220 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 38 12.306 -7.360 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.132 -9.224 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.419 -9.404 -1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.600 -10.729 -3.049 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.167 -9.197 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.449 -11.404 -5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.021 -10.817 -5.667 1.00 0.00 H new ATOM 543 N LEU A 39 10.914 -7.079 -0.796 1.00 0.00 N ATOM 544 CA LEU A 39 10.028 -6.538 0.226 1.00 0.00 C ATOM 545 C LEU A 39 9.965 -7.505 1.400 1.00 0.00 C ATOM 546 O LEU A 39 10.445 -8.633 1.308 1.00 0.00 O ATOM 547 CB LEU A 39 8.645 -6.267 -0.410 1.00 0.00 C ATOM 548 CG LEU A 39 8.301 -4.792 -0.698 1.00 0.00 C ATOM 549 CD1 LEU A 39 7.558 -4.133 0.458 1.00 0.00 C ATOM 550 CD2 LEU A 39 9.511 -3.948 -1.074 1.00 0.00 C ATOM 0 H LEU A 39 10.427 -7.670 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 39 10.401 -5.591 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.585 -6.821 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.879 -6.674 0.251 1.00 0.00 H new ATOM 0 HG LEU A 39 7.642 -4.829 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.339 -3.096 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.625 -4.666 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.178 -4.165 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.195 -2.922 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.232 -3.961 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.974 -4.356 -1.972 1.00 0.00 H new ATOM 562 N LYS A 40 9.383 -7.068 2.511 1.00 0.00 N ATOM 563 CA LYS A 40 9.223 -7.850 3.724 1.00 0.00 C ATOM 564 C LYS A 40 7.825 -7.611 4.250 1.00 0.00 C ATOM 565 O LYS A 40 7.473 -6.459 4.518 1.00 0.00 O ATOM 566 CB LYS A 40 10.294 -7.448 4.738 1.00 0.00 C ATOM 567 CG LYS A 40 10.304 -8.375 5.960 1.00 0.00 C ATOM 568 CD LYS A 40 11.458 -7.989 6.890 1.00 0.00 C ATOM 569 CE LYS A 40 11.589 -8.989 8.040 1.00 0.00 C ATOM 570 NZ LYS A 40 12.599 -8.553 9.022 1.00 0.00 N ATOM 0 H LYS A 40 8.998 -6.127 2.591 1.00 0.00 H new ATOM 0 HA LYS A 40 9.349 -8.915 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.273 -7.469 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.120 -6.422 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.355 -8.302 6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.412 -9.412 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.390 -7.954 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.290 -6.989 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.625 -9.104 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.863 -9.967 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.663 -9.253 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.524 -8.467 8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.324 -7.631 9.417 1.00 0.00 H new ATOM 584 N ASP A 41 7.027 -8.664 4.359 1.00 0.00 N ATOM 585 CA ASP A 41 5.683 -8.574 4.922 1.00 0.00 C ATOM 586 C ASP A 41 5.767 -8.451 6.438 1.00 0.00 C ATOM 587 O ASP A 41 6.652 -9.025 7.088 1.00 0.00 O ATOM 588 CB ASP A 41 4.794 -9.767 4.546 1.00 0.00 C ATOM 589 CG ASP A 41 3.320 -9.333 4.520 1.00 0.00 C ATOM 590 OD1 ASP A 41 2.734 -9.155 5.611 1.00 0.00 O ATOM 591 OD2 ASP A 41 2.787 -9.110 3.409 1.00 0.00 O ATOM 0 H ASP A 41 7.290 -9.603 4.061 1.00 0.00 H new ATOM 0 HA ASP A 41 5.218 -7.685 4.495 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.085 -10.155 3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.932 -10.575 5.265 1.00 0.00 H new ATOM 596 N GLY A 42 4.800 -7.743 7.009 1.00 0.00 N ATOM 597 CA GLY A 42 4.551 -7.721 8.438 1.00 0.00 C ATOM 598 C GLY A 42 4.148 -9.099 8.990 1.00 0.00 C ATOM 599 O GLY A 42 4.411 -9.359 10.163 1.00 0.00 O ATOM 0 H GLY A 42 4.156 -7.157 6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.447 -7.375 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.761 -7.002 8.654 1.00 0.00 H new ATOM 603 N ALA A 43 3.577 -9.986 8.158 1.00 0.00 N ATOM 604 CA ALA A 43 2.970 -11.266 8.529 1.00 0.00 C ATOM 605 C ALA A 43 3.906 -12.084 9.407 1.00 0.00 C ATOM 606 O ALA A 43 3.594 -12.390 10.554 1.00 0.00 O ATOM 607 CB ALA A 43 2.614 -12.072 7.268 1.00 0.00 C ATOM 0 H ALA A 43 3.526 -9.815 7.154 1.00 0.00 H new ATOM 0 HA ALA A 43 2.062 -11.053 9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.164 -13.021 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.907 -11.505 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.518 -12.261 6.690 1.00 0.00 H new ATOM 613 N THR A 44 5.078 -12.409 8.867 1.00 0.00 N ATOM 614 CA THR A 44 6.062 -13.209 9.581 1.00 0.00 C ATOM 615 C THR A 44 7.496 -12.780 9.263 1.00 0.00 C ATOM 616 O THR A 44 8.434 -13.477 9.649 1.00 0.00 O ATOM 617 CB THR A 44 5.769 -14.705 9.347 1.00 0.00 C ATOM 618 OG1 THR A 44 6.280 -15.444 10.438 1.00 0.00 O ATOM 619 CG2 THR A 44 6.324 -15.340 8.079 1.00 0.00 C ATOM 0 H THR A 44 5.368 -12.127 7.931 1.00 0.00 H new ATOM 0 HA THR A 44 5.972 -13.033 10.653 1.00 0.00 H new ATOM 0 HB THR A 44 4.685 -14.741 9.239 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.178 -15.121 10.660 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.042 -16.392 8.045 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.917 -14.827 7.207 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.411 -15.256 8.075 1.00 0.00 H new ATOM 627 N GLY A 45 7.696 -11.667 8.547 1.00 0.00 N ATOM 628 CA GLY A 45 8.985 -11.361 7.945 1.00 0.00 C ATOM 629 C GLY A 45 9.168 -12.107 6.631 1.00 0.00 C ATOM 630 O GLY A 45 10.306 -12.340 6.219 1.00 0.00 O ATOM 0 H GLY A 45 6.975 -10.966 8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.063 -10.288 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.785 -11.631 8.634 1.00 0.00 H new ATOM 634 N GLU A 46 8.064 -12.474 5.977 1.00 0.00 N ATOM 635 CA GLU A 46 8.048 -13.090 4.661 1.00 0.00 C ATOM 636 C GLU A 46 8.793 -12.179 3.691 1.00 0.00 C ATOM 637 O GLU A 46 8.409 -11.020 3.544 1.00 0.00 O ATOM 638 CB GLU A 46 6.606 -13.281 4.179 1.00 0.00 C ATOM 639 CG GLU A 46 5.791 -14.274 5.021 1.00 0.00 C ATOM 640 CD GLU A 46 4.519 -14.765 4.320 1.00 0.00 C ATOM 641 OE1 GLU A 46 4.130 -14.209 3.266 1.00 0.00 O ATOM 642 OE2 GLU A 46 3.905 -15.720 4.849 1.00 0.00 O ATOM 0 H GLU A 46 7.130 -12.344 6.366 1.00 0.00 H new ATOM 0 HA GLU A 46 8.529 -14.067 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.101 -12.315 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.622 -13.625 3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.417 -15.132 5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.518 -13.801 5.964 1.00 0.00 H new ATOM 649 N SER A 47 9.881 -12.654 3.089 1.00 0.00 N ATOM 650 CA SER A 47 10.586 -11.908 2.059 1.00 0.00 C ATOM 651 C SER A 47 9.801 -12.069 0.755 1.00 0.00 C ATOM 652 O SER A 47 9.547 -13.197 0.322 1.00 0.00 O ATOM 653 CB SER A 47 12.016 -12.421 1.903 1.00 0.00 C ATOM 654 OG SER A 47 12.615 -12.742 3.152 1.00 0.00 O ATOM 0 H SER A 47 10.294 -13.562 3.302 1.00 0.00 H new ATOM 0 HA SER A 47 10.654 -10.855 2.330 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.015 -13.305 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.617 -11.665 1.398 1.00 0.00 H new ATOM 0 HG SER A 47 13.527 -13.067 3.003 1.00 0.00 H new ATOM 660 N LEU A 48 9.369 -10.965 0.152 1.00 0.00 N ATOM 661 CA LEU A 48 8.446 -10.941 -0.975 1.00 0.00 C ATOM 662 C LEU A 48 9.140 -10.432 -2.236 1.00 0.00 C ATOM 663 O LEU A 48 9.816 -9.398 -2.229 1.00 0.00 O ATOM 664 CB LEU A 48 7.238 -10.050 -0.673 1.00 0.00 C ATOM 665 CG LEU A 48 6.415 -10.412 0.577 1.00 0.00 C ATOM 666 CD1 LEU A 48 5.254 -9.422 0.632 1.00 0.00 C ATOM 667 CD2 LEU A 48 5.883 -11.847 0.570 1.00 0.00 C ATOM 0 H LEU A 48 9.662 -10.033 0.445 1.00 0.00 H new ATOM 0 HA LEU A 48 8.106 -11.963 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.589 -9.024 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.574 -10.071 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 48 7.060 -10.351 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.635 -9.635 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.645 -8.407 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.652 -9.517 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.314 -12.028 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.237 -11.991 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.719 -12.545 0.519 1.00 0.00 H new ATOM 679 N ALA A 49 8.909 -11.143 -3.336 1.00 0.00 N ATOM 680 CA ALA A 49 9.463 -10.906 -4.661 1.00 0.00 C ATOM 681 C ALA A 49 8.845 -9.688 -5.365 1.00 0.00 C ATOM 682 O ALA A 49 8.070 -9.827 -6.315 1.00 0.00 O ATOM 683 CB ALA A 49 9.236 -12.182 -5.478 1.00 0.00 C ATOM 0 H ALA A 49 8.289 -11.953 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 49 10.524 -10.675 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.638 -12.047 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.741 -13.018 -4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.168 -12.389 -5.540 1.00 0.00 H new ATOM 689 N SER A 50 9.199 -8.475 -4.940 1.00 0.00 N ATOM 690 CA SER A 50 8.830 -7.240 -5.623 1.00 0.00 C ATOM 691 C SER A 50 9.319 -7.246 -7.089 1.00 0.00 C ATOM 692 O SER A 50 10.372 -7.833 -7.374 1.00 0.00 O ATOM 693 CB SER A 50 9.432 -6.049 -4.864 1.00 0.00 C ATOM 694 OG SER A 50 10.566 -6.388 -4.088 1.00 0.00 O ATOM 0 H SER A 50 9.758 -8.323 -4.100 1.00 0.00 H new ATOM 0 HA SER A 50 7.743 -7.156 -5.639 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.710 -5.275 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.670 -5.621 -4.212 1.00 0.00 H new ATOM 0 HG SER A 50 10.391 -6.184 -3.146 1.00 0.00 H new ATOM 700 N PRO A 51 8.634 -6.553 -8.020 1.00 0.00 N ATOM 701 CA PRO A 51 7.302 -5.976 -7.859 1.00 0.00 C ATOM 702 C PRO A 51 6.247 -7.075 -7.726 1.00 0.00 C ATOM 703 O PRO A 51 6.423 -8.177 -8.249 1.00 0.00 O ATOM 704 CB PRO A 51 7.054 -5.162 -9.134 1.00 0.00 C ATOM 705 CG PRO A 51 7.913 -5.857 -10.186 1.00 0.00 C ATOM 706 CD PRO A 51 9.110 -6.356 -9.383 1.00 0.00 C ATOM 0 HA PRO A 51 7.239 -5.363 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.000 -5.167 -9.412 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.345 -4.120 -9.005 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.379 -6.678 -10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.216 -5.170 -10.976 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.496 -7.287 -9.798 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.925 -5.633 -9.410 1.00 0.00 H new ATOM 714 N VAL A 52 5.115 -6.766 -7.100 1.00 0.00 N ATOM 715 CA VAL A 52 3.992 -7.686 -6.982 1.00 0.00 C ATOM 716 C VAL A 52 2.690 -6.903 -7.061 1.00 0.00 C ATOM 717 O VAL A 52 2.672 -5.685 -6.835 1.00 0.00 O ATOM 718 CB VAL A 52 4.146 -8.523 -5.692 1.00 0.00 C ATOM 719 CG1 VAL A 52 3.761 -7.738 -4.434 1.00 0.00 C ATOM 720 CG2 VAL A 52 3.328 -9.817 -5.729 1.00 0.00 C ATOM 0 H VAL A 52 4.952 -5.862 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 52 3.975 -8.397 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 52 5.206 -8.773 -5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.887 -8.372 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.401 -6.860 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.720 -7.422 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.473 -10.366 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.272 -9.576 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.656 -10.431 -6.567 1.00 0.00 H new ATOM 730 N ILE A 53 1.611 -7.623 -7.354 1.00 0.00 N ATOM 731 CA ILE A 53 0.252 -7.166 -7.212 1.00 0.00 C ATOM 732 C ILE A 53 -0.297 -7.947 -6.029 1.00 0.00 C ATOM 733 O ILE A 53 -0.651 -9.118 -6.144 1.00 0.00 O ATOM 734 CB ILE A 53 -0.533 -7.411 -8.514 1.00 0.00 C ATOM 735 CG1 ILE A 53 0.139 -6.813 -9.768 1.00 0.00 C ATOM 736 CG2 ILE A 53 -1.974 -6.891 -8.376 1.00 0.00 C ATOM 737 CD1 ILE A 53 0.662 -5.383 -9.644 1.00 0.00 C ATOM 0 H ILE A 53 1.673 -8.577 -7.710 1.00 0.00 H new ATOM 0 HA ILE A 53 0.174 -6.094 -7.032 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.543 -8.491 -8.664 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.972 -7.458 -10.049 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.579 -6.844 -10.588 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.516 -7.071 -9.304 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.472 -7.412 -7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.956 -5.821 -8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.111 -5.077 -10.589 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.163 -4.714 -9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.412 -5.337 -8.854 1.00 0.00 H new ATOM 749 N LEU A 54 -0.315 -7.311 -4.867 1.00 0.00 N ATOM 750 CA LEU A 54 -1.022 -7.819 -3.711 1.00 0.00 C ATOM 751 C LEU A 54 -2.505 -7.667 -4.014 1.00 0.00 C ATOM 752 O LEU A 54 -3.038 -6.551 -4.021 1.00 0.00 O ATOM 753 CB LEU A 54 -0.594 -7.046 -2.462 1.00 0.00 C ATOM 754 CG LEU A 54 0.245 -7.799 -1.407 1.00 0.00 C ATOM 755 CD1 LEU A 54 1.098 -8.969 -1.911 1.00 0.00 C ATOM 756 CD2 LEU A 54 1.170 -6.767 -0.768 1.00 0.00 C ATOM 0 H LEU A 54 0.163 -6.425 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.796 -8.867 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.024 -6.175 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.494 -6.674 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.468 -8.261 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.638 -9.413 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.453 -9.720 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.811 -8.607 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.787 -7.251 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.811 -6.329 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.573 -5.983 -0.302 1.00 0.00 H new ATOM 768 N SER A 55 -3.152 -8.780 -4.325 1.00 0.00 N ATOM 769 CA SER A 55 -4.554 -8.807 -4.680 1.00 0.00 C ATOM 770 C SER A 55 -5.401 -8.602 -3.424 1.00 0.00 C ATOM 771 O SER A 55 -4.888 -8.520 -2.302 1.00 0.00 O ATOM 772 CB SER A 55 -4.901 -10.114 -5.404 1.00 0.00 C ATOM 773 OG SER A 55 -4.092 -10.293 -6.555 1.00 0.00 O ATOM 0 H SER A 55 -2.709 -9.698 -4.337 1.00 0.00 H new ATOM 0 HA SER A 55 -4.774 -7.994 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.764 -10.956 -4.726 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.952 -10.105 -5.693 1.00 0.00 H new ATOM 0 HG SER A 55 -4.333 -11.134 -6.996 1.00 0.00 H new ATOM 779 N ASP A 56 -6.710 -8.504 -3.614 1.00 0.00 N ATOM 780 CA ASP A 56 -7.721 -8.394 -2.563 1.00 0.00 C ATOM 781 C ASP A 56 -7.514 -9.477 -1.501 1.00 0.00 C ATOM 782 O ASP A 56 -7.590 -9.218 -0.303 1.00 0.00 O ATOM 783 CB ASP A 56 -9.088 -8.541 -3.244 1.00 0.00 C ATOM 784 CG ASP A 56 -10.288 -8.150 -2.388 1.00 0.00 C ATOM 785 OD1 ASP A 56 -10.166 -7.224 -1.561 1.00 0.00 O ATOM 786 OD2 ASP A 56 -11.392 -8.647 -2.725 1.00 0.00 O ATOM 0 H ASP A 56 -7.118 -8.499 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.651 -7.434 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.093 -7.931 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.209 -9.578 -3.559 1.00 0.00 H new ATOM 791 N GLU A 57 -7.131 -10.670 -1.958 1.00 0.00 N ATOM 792 CA GLU A 57 -6.959 -11.879 -1.175 1.00 0.00 C ATOM 793 C GLU A 57 -5.767 -11.800 -0.229 1.00 0.00 C ATOM 794 O GLU A 57 -5.773 -12.425 0.832 1.00 0.00 O ATOM 795 CB GLU A 57 -6.723 -13.047 -2.140 1.00 0.00 C ATOM 796 CG GLU A 57 -7.954 -13.389 -2.994 1.00 0.00 C ATOM 797 CD GLU A 57 -7.897 -12.767 -4.395 1.00 0.00 C ATOM 798 OE1 GLU A 57 -7.798 -11.530 -4.549 1.00 0.00 O ATOM 799 OE2 GLU A 57 -7.952 -13.536 -5.383 1.00 0.00 O ATOM 0 H GLU A 57 -6.922 -10.819 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.857 -12.015 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.889 -12.802 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.430 -13.928 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.038 -14.472 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.852 -13.042 -2.484 1.00 0.00 H new ATOM 806 N GLU A 58 -4.724 -11.081 -0.628 1.00 0.00 N ATOM 807 CA GLU A 58 -3.513 -10.887 0.156 1.00 0.00 C ATOM 808 C GLU A 58 -3.794 -9.862 1.259 1.00 0.00 C ATOM 809 O GLU A 58 -3.233 -9.947 2.347 1.00 0.00 O ATOM 810 CB GLU A 58 -2.365 -10.404 -0.747 1.00 0.00 C ATOM 811 CG GLU A 58 -2.300 -11.069 -2.131 1.00 0.00 C ATOM 812 CD GLU A 58 -2.001 -12.569 -2.117 1.00 0.00 C ATOM 813 OE1 GLU A 58 -2.954 -13.382 -2.106 1.00 0.00 O ATOM 814 OE2 GLU A 58 -0.815 -12.940 -2.274 1.00 0.00 O ATOM 0 H GLU A 58 -4.698 -10.605 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.213 -11.833 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.459 -9.327 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.420 -10.579 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.251 -10.909 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.534 -10.567 -2.722 1.00 0.00 H new ATOM 821 N LEU A 59 -4.678 -8.899 0.975 1.00 0.00 N ATOM 822 CA LEU A 59 -5.094 -7.825 1.882 1.00 0.00 C ATOM 823 C LEU A 59 -6.313 -8.208 2.735 1.00 0.00 C ATOM 824 O LEU A 59 -6.948 -7.336 3.332 1.00 0.00 O ATOM 825 CB LEU A 59 -5.347 -6.553 1.052 1.00 0.00 C ATOM 826 CG LEU A 59 -4.089 -5.704 0.798 1.00 0.00 C ATOM 827 CD1 LEU A 59 -3.699 -4.846 2.002 1.00 0.00 C ATOM 828 CD2 LEU A 59 -2.870 -6.488 0.317 1.00 0.00 C ATOM 0 H LEU A 59 -5.142 -8.845 0.068 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.293 -7.640 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.778 -6.839 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.088 -5.940 1.565 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.393 -5.055 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.805 -4.270 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.516 -4.166 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.498 -5.490 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.034 -5.805 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.599 -7.233 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.106 -6.986 -0.623 1.00 0.00 H new ATOM 840 N ALA A 60 -6.645 -9.496 2.827 1.00 0.00 N ATOM 841 CA ALA A 60 -7.729 -10.065 3.629 1.00 0.00 C ATOM 842 C ALA A 60 -7.400 -10.072 5.138 1.00 0.00 C ATOM 843 O ALA A 60 -7.596 -11.071 5.840 1.00 0.00 O ATOM 844 CB ALA A 60 -8.018 -11.467 3.091 1.00 0.00 C ATOM 0 H ALA A 60 -6.134 -10.213 2.313 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.620 -9.444 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.824 -11.920 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.315 -11.401 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.121 -12.081 3.175 1.00 0.00 H new ATOM 850 N VAL A 61 -6.872 -8.956 5.631 1.00 0.00 N ATOM 851 CA VAL A 61 -6.342 -8.719 6.964 1.00 0.00 C ATOM 852 C VAL A 61 -6.748 -7.310 7.410 1.00 0.00 C ATOM 853 O VAL A 61 -7.116 -6.469 6.593 1.00 0.00 O ATOM 854 CB VAL A 61 -4.803 -8.890 6.966 1.00 0.00 C ATOM 855 CG1 VAL A 61 -4.375 -10.356 7.052 1.00 0.00 C ATOM 856 CG2 VAL A 61 -4.105 -8.278 5.744 1.00 0.00 C ATOM 0 H VAL A 61 -6.799 -8.120 5.052 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.752 -9.445 7.666 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.491 -8.349 7.859 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.287 -10.418 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.762 -10.795 7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.771 -10.902 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.030 -8.440 5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.480 -8.751 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.309 -7.208 5.706 1.00 0.00 H new ATOM 866 N GLU A 62 -6.668 -7.024 8.711 1.00 0.00 N ATOM 867 CA GLU A 62 -7.049 -5.718 9.253 1.00 0.00 C ATOM 868 C GLU A 62 -6.012 -4.624 8.966 1.00 0.00 C ATOM 869 O GLU A 62 -6.348 -3.439 8.946 1.00 0.00 O ATOM 870 CB GLU A 62 -7.318 -5.827 10.762 1.00 0.00 C ATOM 871 CG GLU A 62 -6.065 -6.189 11.580 1.00 0.00 C ATOM 872 CD GLU A 62 -6.261 -6.188 13.099 1.00 0.00 C ATOM 873 OE1 GLU A 62 -7.390 -5.972 13.604 1.00 0.00 O ATOM 874 OE2 GLU A 62 -5.235 -6.402 13.798 1.00 0.00 O ATOM 0 H GLU A 62 -6.340 -7.686 9.414 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.964 -5.418 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.717 -4.879 11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.086 -6.582 10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.723 -7.177 11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.271 -5.485 11.331 1.00 0.00 H new ATOM 881 N LYS A 63 -4.740 -4.996 8.798 1.00 0.00 N ATOM 882 CA LYS A 63 -3.629 -4.066 8.628 1.00 0.00 C ATOM 883 C LYS A 63 -2.431 -4.808 8.064 1.00 0.00 C ATOM 884 O LYS A 63 -2.206 -5.955 8.481 1.00 0.00 O ATOM 885 CB LYS A 63 -3.272 -3.432 9.982 1.00 0.00 C ATOM 886 CG LYS A 63 -1.961 -2.619 9.964 1.00 0.00 C ATOM 887 CD LYS A 63 -0.747 -3.400 10.471 1.00 0.00 C ATOM 888 CE LYS A 63 -0.313 -2.928 11.859 1.00 0.00 C ATOM 889 NZ LYS A 63 -1.405 -2.860 12.857 1.00 0.00 N ATOM 0 H LYS A 63 -4.452 -5.974 8.776 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.917 -3.275 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.088 -2.780 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.190 -4.220 10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.766 -2.283 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.089 -1.726 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.986 -4.463 10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.080 -3.282 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.460 -3.600 12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.140 -1.941 11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.000 -2.732 13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.029 -2.058 12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.954 -3.743 12.831 1.00 0.00 H new ATOM 903 N VAL A 64 -1.611 -4.142 7.241 1.00 0.00 N ATOM 904 CA VAL A 64 -0.276 -4.627 6.934 1.00 0.00 C ATOM 905 C VAL A 64 0.742 -3.478 7.073 1.00 0.00 C ATOM 906 O VAL A 64 0.399 -2.295 7.037 1.00 0.00 O ATOM 907 CB VAL A 64 -0.234 -5.320 5.552 1.00 0.00 C ATOM 908 CG1 VAL A 64 0.905 -6.345 5.534 1.00 0.00 C ATOM 909 CG2 VAL A 64 -1.519 -6.074 5.193 1.00 0.00 C ATOM 0 H VAL A 64 -1.857 -3.266 6.780 1.00 0.00 H new ATOM 0 HA VAL A 64 0.005 -5.395 7.655 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.097 -4.520 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.938 -6.836 4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.853 -5.839 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.736 -7.091 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.410 -6.532 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.705 -6.850 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.357 -5.378 5.178 1.00 0.00 H new ATOM 919 N THR A 65 2.011 -3.848 7.206 1.00 0.00 N ATOM 920 CA THR A 65 3.225 -3.043 7.221 1.00 0.00 C ATOM 921 C THR A 65 4.148 -3.699 6.187 1.00 0.00 C ATOM 922 O THR A 65 4.499 -4.870 6.361 1.00 0.00 O ATOM 923 CB THR A 65 3.858 -3.085 8.630 1.00 0.00 C ATOM 924 OG1 THR A 65 2.889 -2.867 9.643 1.00 0.00 O ATOM 925 CG2 THR A 65 5.007 -2.085 8.798 1.00 0.00 C ATOM 0 H THR A 65 2.238 -4.836 7.319 1.00 0.00 H new ATOM 0 HA THR A 65 3.040 -1.995 6.985 1.00 0.00 H new ATOM 0 HB THR A 65 4.271 -4.088 8.736 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.321 -2.901 10.522 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.411 -2.161 9.807 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.792 -2.308 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.636 -1.074 8.631 1.00 0.00 H new ATOM 933 N LEU A 66 4.508 -3.014 5.098 1.00 0.00 N ATOM 934 CA LEU A 66 5.383 -3.544 4.048 1.00 0.00 C ATOM 935 C LEU A 66 6.604 -2.659 3.955 1.00 0.00 C ATOM 936 O LEU A 66 6.492 -1.438 3.842 1.00 0.00 O ATOM 937 CB LEU A 66 4.712 -3.552 2.668 1.00 0.00 C ATOM 938 CG LEU A 66 3.942 -4.816 2.252 1.00 0.00 C ATOM 939 CD1 LEU A 66 4.833 -6.058 2.134 1.00 0.00 C ATOM 940 CD2 LEU A 66 2.830 -5.124 3.237 1.00 0.00 C ATOM 0 H LEU A 66 4.195 -2.060 4.918 1.00 0.00 H new ATOM 0 HA LEU A 66 5.630 -4.572 4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.021 -2.710 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.483 -3.368 1.920 1.00 0.00 H new ATOM 0 HG LEU A 66 3.534 -4.593 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.227 -6.914 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.604 -5.882 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.302 -6.262 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.301 -6.023 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.256 -5.284 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.133 -4.287 3.273 1.00 0.00 H new ATOM 952 N SER A 67 7.765 -3.294 3.931 1.00 0.00 N ATOM 953 CA SER A 67 9.031 -2.592 4.043 1.00 0.00 C ATOM 954 C SER A 67 10.139 -3.218 3.195 1.00 0.00 C ATOM 955 O SER A 67 10.005 -4.329 2.688 1.00 0.00 O ATOM 956 CB SER A 67 9.434 -2.492 5.518 1.00 0.00 C ATOM 957 OG SER A 67 8.358 -2.478 6.442 1.00 0.00 O ATOM 0 H SER A 67 7.855 -4.305 3.834 1.00 0.00 H new ATOM 0 HA SER A 67 8.891 -1.588 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.085 -3.333 5.757 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.021 -1.584 5.656 1.00 0.00 H new ATOM 0 HG SER A 67 8.711 -2.414 7.354 1.00 0.00 H new ATOM 963 N THR A 68 11.233 -2.485 3.026 1.00 0.00 N ATOM 964 CA THR A 68 12.396 -2.856 2.230 1.00 0.00 C ATOM 965 C THR A 68 13.299 -3.804 3.026 1.00 0.00 C ATOM 966 O THR A 68 13.469 -3.634 4.236 1.00 0.00 O ATOM 967 CB THR A 68 13.135 -1.564 1.837 1.00 0.00 C ATOM 968 OG1 THR A 68 13.119 -0.578 2.855 1.00 0.00 O ATOM 969 CG2 THR A 68 12.502 -0.877 0.630 1.00 0.00 C ATOM 0 H THR A 68 11.338 -1.569 3.463 1.00 0.00 H new ATOM 0 HA THR A 68 12.094 -3.386 1.327 1.00 0.00 H new ATOM 0 HB THR A 68 14.149 -1.907 1.632 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.226 -0.178 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 68 13.060 0.029 0.393 1.00 0.00 H new ATOM 0 HG22 THR A 68 12.525 -1.552 -0.226 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.469 -0.617 0.860 1.00 0.00 H new ATOM 977 N THR A 69 13.913 -4.795 2.365 1.00 0.00 N ATOM 978 CA THR A 69 14.902 -5.635 3.035 1.00 0.00 C ATOM 979 C THR A 69 16.264 -4.927 3.098 1.00 0.00 C ATOM 980 O THR A 69 16.877 -4.834 4.162 1.00 0.00 O ATOM 981 CB THR A 69 14.989 -7.024 2.371 1.00 0.00 C ATOM 982 OG1 THR A 69 15.124 -6.921 0.968 1.00 0.00 O ATOM 983 CG2 THR A 69 13.756 -7.888 2.653 1.00 0.00 C ATOM 0 H THR A 69 13.744 -5.028 1.386 1.00 0.00 H new ATOM 0 HA THR A 69 14.580 -5.799 4.063 1.00 0.00 H new ATOM 0 HB THR A 69 15.870 -7.495 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.241 -6.794 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.869 -8.855 2.162 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.654 -8.036 3.728 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.866 -7.389 2.270 1.00 0.00 H new ATOM 991 N GLY A 70 16.758 -4.430 1.962 1.00 0.00 N ATOM 992 CA GLY A 70 18.169 -4.080 1.798 1.00 0.00 C ATOM 993 C GLY A 70 18.395 -2.583 1.789 1.00 0.00 C ATOM 994 O GLY A 70 18.808 -2.000 2.790 1.00 0.00 O ATOM 0 H GLY A 70 16.191 -4.259 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.748 -4.527 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.540 -4.506 0.866 1.00 0.00 H new ATOM 998 N LYS A 71 18.143 -2.007 0.623 1.00 0.00 N ATOM 999 CA LYS A 71 18.063 -0.612 0.229 1.00 0.00 C ATOM 1000 C LYS A 71 17.465 -0.655 -1.170 1.00 0.00 C ATOM 1001 O LYS A 71 17.891 -1.507 -1.962 1.00 0.00 O ATOM 1002 CB LYS A 71 19.480 -0.042 0.190 1.00 0.00 C ATOM 1003 CG LYS A 71 19.532 1.449 -0.127 1.00 0.00 C ATOM 1004 CD LYS A 71 20.975 1.844 -0.428 1.00 0.00 C ATOM 1005 CE LYS A 71 20.976 3.025 -1.372 1.00 0.00 C ATOM 1006 NZ LYS A 71 22.357 3.317 -1.794 1.00 0.00 N ATOM 0 H LYS A 71 17.964 -2.601 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 71 17.471 0.006 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 71 19.959 -0.217 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.060 -0.584 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.894 1.674 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.152 2.026 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.496 2.099 0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.510 1.005 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.357 2.809 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.543 3.896 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.357 4.129 -2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.935 3.541 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.755 2.487 -2.278 1.00 0.00 H new ATOM 1020 N ALA A 72 16.500 0.211 -1.472 1.00 0.00 N ATOM 1021 CA ALA A 72 15.869 0.275 -2.782 1.00 0.00 C ATOM 1022 C ALA A 72 15.785 1.723 -3.252 1.00 0.00 C ATOM 1023 O ALA A 72 16.000 2.650 -2.469 1.00 0.00 O ATOM 1024 CB ALA A 72 14.498 -0.411 -2.764 1.00 0.00 C ATOM 0 H ALA A 72 16.133 0.892 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 72 16.482 -0.270 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.047 -0.349 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.619 -1.458 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.852 0.086 -2.040 1.00 0.00 H new ATOM 1030 N ILE A 73 15.511 1.917 -4.540 1.00 0.00 N ATOM 1031 CA ILE A 73 15.692 3.204 -5.216 1.00 0.00 C ATOM 1032 C ILE A 73 14.347 3.754 -5.701 1.00 0.00 C ATOM 1033 O ILE A 73 14.301 4.823 -6.300 1.00 0.00 O ATOM 1034 CB ILE A 73 16.714 3.102 -6.380 1.00 0.00 C ATOM 1035 CG1 ILE A 73 17.753 1.966 -6.277 1.00 0.00 C ATOM 1036 CG2 ILE A 73 17.442 4.443 -6.570 1.00 0.00 C ATOM 1037 CD1 ILE A 73 18.693 2.027 -5.070 1.00 0.00 C ATOM 0 H ILE A 73 15.154 1.182 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 73 16.104 3.906 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 73 16.103 2.850 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.221 1.015 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.357 1.969 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.156 4.357 -7.389 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.715 5.222 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.972 4.702 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.379 1.181 -5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 73 19.262 2.956 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 73 18.108 1.987 -4.151 1.00 0.00 H new ATOM 1049 N GLU A 74 13.244 3.040 -5.485 1.00 0.00 N ATOM 1050 CA GLU A 74 11.906 3.564 -5.691 1.00 0.00 C ATOM 1051 C GLU A 74 10.956 2.819 -4.771 1.00 0.00 C ATOM 1052 O GLU A 74 11.197 1.651 -4.448 1.00 0.00 O ATOM 1053 CB GLU A 74 11.428 3.378 -7.145 1.00 0.00 C ATOM 1054 CG GLU A 74 11.748 4.591 -8.009 1.00 0.00 C ATOM 1055 CD GLU A 74 10.697 4.857 -9.090 1.00 0.00 C ATOM 1056 OE1 GLU A 74 9.478 4.898 -8.812 1.00 0.00 O ATOM 1057 OE2 GLU A 74 11.094 5.082 -10.251 1.00 0.00 O ATOM 0 H GLU A 74 13.260 2.074 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 74 11.922 4.633 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.901 2.494 -7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.353 3.200 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.834 5.471 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.718 4.445 -8.483 1.00 0.00 H new ATOM 1064 N PHE A 75 9.829 3.437 -4.443 1.00 0.00 N ATOM 1065 CA PHE A 75 8.688 2.782 -3.821 1.00 0.00 C ATOM 1066 C PHE A 75 7.437 3.399 -4.432 1.00 0.00 C ATOM 1067 O PHE A 75 7.162 4.572 -4.191 1.00 0.00 O ATOM 1068 CB PHE A 75 8.760 2.929 -2.283 1.00 0.00 C ATOM 1069 CG PHE A 75 8.091 1.845 -1.447 1.00 0.00 C ATOM 1070 CD1 PHE A 75 8.119 0.493 -1.848 1.00 0.00 C ATOM 1071 CD2 PHE A 75 7.532 2.162 -0.191 1.00 0.00 C ATOM 1072 CE1 PHE A 75 7.562 -0.510 -1.041 1.00 0.00 C ATOM 1073 CE2 PHE A 75 7.036 1.148 0.639 1.00 0.00 C ATOM 1074 CZ PHE A 75 7.032 -0.188 0.215 1.00 0.00 C ATOM 0 H PHE A 75 9.680 4.433 -4.607 1.00 0.00 H new ATOM 0 HA PHE A 75 8.678 1.708 -4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.811 2.976 -1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.314 3.886 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.576 0.226 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.486 3.191 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.542 -1.532 -1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.652 1.399 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 75 6.625 -0.961 0.850 1.00 0.00 H new ATOM 1084 N ALA A 76 6.713 2.642 -5.257 1.00 0.00 N ATOM 1085 CA ALA A 76 5.466 3.070 -5.879 1.00 0.00 C ATOM 1086 C ALA A 76 4.365 2.164 -5.358 1.00 0.00 C ATOM 1087 O ALA A 76 4.521 0.941 -5.421 1.00 0.00 O ATOM 1088 CB ALA A 76 5.581 3.024 -7.408 1.00 0.00 C ATOM 0 H ALA A 76 6.986 1.694 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 76 5.235 4.104 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.640 3.347 -7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.383 3.687 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.802 2.005 -7.726 1.00 0.00 H new ATOM 1094 N VAL A 77 3.288 2.755 -4.840 1.00 0.00 N ATOM 1095 CA VAL A 77 2.186 2.072 -4.184 1.00 0.00 C ATOM 1096 C VAL A 77 0.913 2.597 -4.838 1.00 0.00 C ATOM 1097 O VAL A 77 0.631 3.797 -4.840 1.00 0.00 O ATOM 1098 CB VAL A 77 2.238 2.284 -2.656 1.00 0.00 C ATOM 1099 CG1 VAL A 77 1.018 1.660 -1.959 1.00 0.00 C ATOM 1100 CG2 VAL A 77 3.498 1.636 -2.059 1.00 0.00 C ATOM 0 H VAL A 77 3.160 3.766 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 77 2.235 0.990 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 77 2.247 3.361 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.087 1.828 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.106 2.120 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.994 0.589 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.514 1.798 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.489 0.566 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.385 2.085 -2.507 1.00 0.00 H new ATOM 1110 N SER A 78 0.171 1.695 -5.470 1.00 0.00 N ATOM 1111 CA SER A 78 -0.946 2.034 -6.332 1.00 0.00 C ATOM 1112 C SER A 78 -2.084 1.050 -6.072 1.00 0.00 C ATOM 1113 O SER A 78 -1.843 -0.050 -5.571 1.00 0.00 O ATOM 1114 CB SER A 78 -0.436 1.982 -7.778 1.00 0.00 C ATOM 1115 OG SER A 78 -0.835 3.117 -8.504 1.00 0.00 O ATOM 0 H SER A 78 0.335 0.691 -5.394 1.00 0.00 H new ATOM 0 HA SER A 78 -1.337 3.033 -6.137 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.652 1.911 -7.779 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.814 1.084 -8.267 1.00 0.00 H new ATOM 0 HG SER A 78 -1.583 3.553 -8.045 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.321 1.418 -6.398 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.471 0.550 -6.191 1.00 0.00 C ATOM 1123 C GLY A 79 -5.761 1.338 -6.047 1.00 0.00 C ATOM 1124 O GLY A 79 -5.802 2.537 -6.343 1.00 0.00 O ATOM 0 H GLY A 79 -3.551 2.322 -6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.560 -0.140 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.313 -0.053 -5.297 1.00 0.00 H new ATOM 1128 N GLY A 80 -6.810 0.653 -5.603 1.00 0.00 N ATOM 1129 CA GLY A 80 -8.142 1.214 -5.420 1.00 0.00 C ATOM 1130 C GLY A 80 -9.176 0.144 -5.091 1.00 0.00 C ATOM 1131 O GLY A 80 -8.822 -1.039 -4.986 1.00 0.00 O ATOM 0 H GLY A 80 -6.754 -0.335 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.117 1.952 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.441 1.739 -6.327 1.00 0.00 H new ATOM 1135 N VAL A 81 -10.425 0.558 -4.903 1.00 0.00 N ATOM 1136 CA VAL A 81 -11.608 -0.290 -4.759 1.00 0.00 C ATOM 1137 C VAL A 81 -12.718 0.262 -5.673 1.00 0.00 C ATOM 1138 O VAL A 81 -12.467 1.108 -6.537 1.00 0.00 O ATOM 1139 CB VAL A 81 -12.047 -0.431 -3.272 1.00 0.00 C ATOM 1140 CG1 VAL A 81 -11.265 -1.517 -2.533 1.00 0.00 C ATOM 1141 CG2 VAL A 81 -11.988 0.854 -2.450 1.00 0.00 C ATOM 0 H VAL A 81 -10.654 1.550 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.375 -1.307 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 81 -13.097 -0.711 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.609 -1.575 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.425 -2.478 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.202 -1.274 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.313 0.649 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.965 1.230 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.644 1.602 -2.896 1.00 0.00 H new ATOM 1266 N GLU A 91 -21.726 -1.604 4.310 1.00 0.00 N ATOM 1267 CA GLU A 91 -21.200 -0.336 4.798 1.00 0.00 C ATOM 1268 C GLU A 91 -20.021 0.058 3.900 1.00 0.00 C ATOM 1269 O GLU A 91 -19.446 -0.811 3.248 1.00 0.00 O ATOM 1270 CB GLU A 91 -20.728 -0.505 6.253 1.00 0.00 C ATOM 1271 CG GLU A 91 -21.739 0.019 7.280 1.00 0.00 C ATOM 1272 CD GLU A 91 -21.287 1.327 7.930 1.00 0.00 C ATOM 1273 OE1 GLU A 91 -20.193 1.351 8.541 1.00 0.00 O ATOM 1274 OE2 GLU A 91 -22.047 2.317 7.889 1.00 0.00 O ATOM 0 HA GLU A 91 -21.966 0.439 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.537 -1.561 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.781 0.019 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -22.701 0.173 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.890 -0.734 8.053 1.00 0.00 H new ATOM 1281 N PRO A 92 -19.612 1.333 3.884 1.00 0.00 N ATOM 1282 CA PRO A 92 -18.460 1.769 3.110 1.00 0.00 C ATOM 1283 C PRO A 92 -17.151 1.549 3.878 1.00 0.00 C ATOM 1284 O PRO A 92 -17.163 1.097 5.033 1.00 0.00 O ATOM 1285 CB PRO A 92 -18.741 3.250 2.856 1.00 0.00 C ATOM 1286 CG PRO A 92 -19.435 3.679 4.150 1.00 0.00 C ATOM 1287 CD PRO A 92 -20.265 2.459 4.532 1.00 0.00 C ATOM 0 HA PRO A 92 -18.330 1.208 2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.824 3.813 2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.378 3.399 1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.714 3.933 4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -20.061 4.558 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -20.295 2.327 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -21.296 2.563 4.194 1.00 0.00 H new ATOM 1295 N MET A 93 -16.007 1.924 3.293 1.00 0.00 N ATOM 1296 CA MET A 93 -14.688 1.706 3.875 1.00 0.00 C ATOM 1297 C MET A 93 -13.818 2.956 3.861 1.00 0.00 C ATOM 1298 O MET A 93 -14.043 3.884 3.084 1.00 0.00 O ATOM 1299 CB MET A 93 -13.987 0.512 3.224 1.00 0.00 C ATOM 1300 CG MET A 93 -13.257 0.807 1.901 1.00 0.00 C ATOM 1301 SD MET A 93 -12.332 -0.605 1.217 1.00 0.00 S ATOM 1302 CE MET A 93 -11.692 -1.407 2.713 1.00 0.00 C ATOM 0 H MET A 93 -15.977 2.394 2.388 1.00 0.00 H new ATOM 0 HA MET A 93 -14.845 1.467 4.927 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.265 0.107 3.933 1.00 0.00 H new ATOM 0 HB3 MET A 93 -14.728 -0.267 3.043 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.988 1.138 1.163 1.00 0.00 H new ATOM 0 HG3 MET A 93 -12.566 1.635 2.059 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.065 -2.253 2.432 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.102 -0.691 3.285 1.00 0.00 H new ATOM 0 HE3 MET A 93 -12.525 -1.759 3.322 1.00 0.00 H new ATOM 1312 N GLN A 94 -12.789 2.973 4.710 1.00 0.00 N ATOM 1313 CA GLN A 94 -11.816 4.053 4.807 1.00 0.00 C ATOM 1314 C GLN A 94 -10.441 3.457 5.058 1.00 0.00 C ATOM 1315 O GLN A 94 -10.298 2.517 5.849 1.00 0.00 O ATOM 1316 CB GLN A 94 -12.193 5.016 5.944 1.00 0.00 C ATOM 1317 CG GLN A 94 -13.290 6.005 5.527 1.00 0.00 C ATOM 1318 CD GLN A 94 -14.008 6.634 6.718 1.00 0.00 C ATOM 1319 OE1 GLN A 94 -14.009 7.845 6.921 1.00 0.00 O ATOM 1320 NE2 GLN A 94 -14.686 5.825 7.515 1.00 0.00 N ATOM 0 H GLN A 94 -12.608 2.213 5.366 1.00 0.00 H new ATOM 0 HA GLN A 94 -11.807 4.617 3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.532 4.442 6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -11.308 5.569 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -12.848 6.794 4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -14.018 5.489 4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -14.683 4.820 7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -15.212 6.207 8.301 1.00 0.00 H new ATOM 1329 N TRP A 95 -9.418 4.066 4.466 1.00 0.00 N ATOM 1330 CA TRP A 95 -8.020 3.709 4.673 1.00 0.00 C ATOM 1331 C TRP A 95 -7.311 4.896 5.303 1.00 0.00 C ATOM 1332 O TRP A 95 -7.500 6.047 4.892 1.00 0.00 O ATOM 1333 CB TRP A 95 -7.351 3.341 3.336 1.00 0.00 C ATOM 1334 CG TRP A 95 -7.861 2.123 2.623 1.00 0.00 C ATOM 1335 CD1 TRP A 95 -8.626 1.145 3.163 1.00 0.00 C ATOM 1336 CD2 TRP A 95 -7.751 1.800 1.201 1.00 0.00 C ATOM 1337 NE1 TRP A 95 -9.063 0.303 2.165 1.00 0.00 N ATOM 1338 CE2 TRP A 95 -8.643 0.724 0.930 1.00 0.00 C ATOM 1339 CE3 TRP A 95 -7.044 2.327 0.095 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 -8.943 0.296 -0.367 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 -7.359 1.932 -1.221 1.00 0.00 C ATOM 1342 CH2 TRP A 95 -8.344 0.957 -1.450 1.00 0.00 C ATOM 0 H TRP A 95 -9.542 4.840 3.813 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.956 2.841 5.330 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.452 4.193 2.663 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -6.285 3.203 3.519 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.857 1.041 4.213 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.629 -0.530 2.325 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.252 3.042 0.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -9.622 -0.527 -0.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -6.841 2.380 -2.056 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -8.640 0.716 -2.460 1.00 0.00 H new ATOM 1353 N VAL A 96 -6.436 4.622 6.261 1.00 0.00 N ATOM 1354 CA VAL A 96 -5.309 5.454 6.588 1.00 0.00 C ATOM 1355 C VAL A 96 -4.071 4.643 6.210 1.00 0.00 C ATOM 1356 O VAL A 96 -4.057 3.413 6.323 1.00 0.00 O ATOM 1357 CB VAL A 96 -5.353 5.863 8.067 1.00 0.00 C ATOM 1358 CG1 VAL A 96 -6.227 7.112 8.247 1.00 0.00 C ATOM 1359 CG2 VAL A 96 -5.852 4.800 9.052 1.00 0.00 C ATOM 0 H VAL A 96 -6.502 3.787 6.844 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.307 6.397 6.041 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.306 6.040 8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.250 7.391 9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.813 7.933 7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.240 6.899 7.906 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.838 5.206 10.063 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.870 4.512 8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.203 3.925 9.003 1.00 0.00 H new ATOM 1369 N VAL A 97 -3.079 5.333 5.662 1.00 0.00 N ATOM 1370 CA VAL A 97 -1.829 4.813 5.165 1.00 0.00 C ATOM 1371 C VAL A 97 -0.755 5.834 5.542 1.00 0.00 C ATOM 1372 O VAL A 97 -1.072 6.997 5.830 1.00 0.00 O ATOM 1373 CB VAL A 97 -1.945 4.647 3.639 1.00 0.00 C ATOM 1374 CG1 VAL A 97 -2.861 3.486 3.242 1.00 0.00 C ATOM 1375 CG2 VAL A 97 -2.428 5.909 2.901 1.00 0.00 C ATOM 0 H VAL A 97 -3.140 6.345 5.549 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.576 3.841 5.588 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.921 4.440 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.907 3.414 2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.467 2.556 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.862 3.661 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.482 5.707 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.415 6.189 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.729 6.726 3.081 1.00 0.00 H new ATOM 1385 N THR A 98 0.509 5.430 5.561 1.00 0.00 N ATOM 1386 CA THR A 98 1.631 6.330 5.790 1.00 0.00 C ATOM 1387 C THR A 98 2.849 5.723 5.087 1.00 0.00 C ATOM 1388 O THR A 98 2.992 4.498 5.084 1.00 0.00 O ATOM 1389 CB THR A 98 1.855 6.482 7.308 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.647 6.801 7.967 1.00 0.00 O ATOM 1391 CG2 THR A 98 2.842 7.597 7.641 1.00 0.00 C ATOM 0 H THR A 98 0.786 4.459 5.416 1.00 0.00 H new ATOM 0 HA THR A 98 1.446 7.327 5.389 1.00 0.00 H new ATOM 0 HB THR A 98 2.250 5.523 7.643 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.813 6.891 8.929 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.965 7.663 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.805 7.380 7.179 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.462 8.545 7.260 1.00 0.00 H new ATOM 1399 N VAL A 99 3.718 6.545 4.491 1.00 0.00 N ATOM 1400 CA VAL A 99 5.017 6.125 3.979 1.00 0.00 C ATOM 1401 C VAL A 99 6.103 6.776 4.833 1.00 0.00 C ATOM 1402 O VAL A 99 6.062 7.975 5.144 1.00 0.00 O ATOM 1403 CB VAL A 99 5.203 6.404 2.470 1.00 0.00 C ATOM 1404 CG1 VAL A 99 6.387 5.587 1.918 1.00 0.00 C ATOM 1405 CG2 VAL A 99 3.982 6.028 1.621 1.00 0.00 C ATOM 0 H VAL A 99 3.531 7.538 4.350 1.00 0.00 H new ATOM 0 HA VAL A 99 5.089 5.040 4.059 1.00 0.00 H new ATOM 0 HB VAL A 99 5.369 7.479 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.507 5.793 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.299 5.865 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.194 4.524 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.185 6.251 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.776 4.963 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.117 6.602 1.954 1.00 0.00 H new ATOM 1415 N TYR A 100 7.099 5.962 5.162 1.00 0.00 N ATOM 1416 CA TYR A 100 8.258 6.266 5.965 1.00 0.00 C ATOM 1417 C TYR A 100 9.484 5.947 5.112 1.00 0.00 C ATOM 1418 O TYR A 100 9.718 4.792 4.762 1.00 0.00 O ATOM 1419 CB TYR A 100 8.229 5.437 7.259 1.00 0.00 C ATOM 1420 CG TYR A 100 6.936 5.498 8.063 1.00 0.00 C ATOM 1421 CD1 TYR A 100 5.863 4.640 7.737 1.00 0.00 C ATOM 1422 CD2 TYR A 100 6.822 6.361 9.171 1.00 0.00 C ATOM 1423 CE1 TYR A 100 4.688 4.640 8.507 1.00 0.00 C ATOM 1424 CE2 TYR A 100 5.647 6.363 9.946 1.00 0.00 C ATOM 1425 CZ TYR A 100 4.573 5.503 9.618 1.00 0.00 C ATOM 1426 OH TYR A 100 3.458 5.490 10.401 1.00 0.00 O ATOM 0 H TYR A 100 7.109 4.993 4.843 1.00 0.00 H new ATOM 0 HA TYR A 100 8.279 7.314 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.426 4.396 7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.047 5.769 7.898 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.946 3.978 6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.637 7.022 9.426 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.873 3.980 8.249 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.565 7.025 10.796 1.00 0.00 H new ATOM 0 HH TYR A 100 3.555 6.149 11.119 1.00 0.00 H new ATOM 1436 N LYS A 101 10.260 6.962 4.743 1.00 0.00 N ATOM 1437 CA LYS A 101 11.635 6.785 4.290 1.00 0.00 C ATOM 1438 C LYS A 101 12.451 6.319 5.499 1.00 0.00 C ATOM 1439 O LYS A 101 11.973 6.434 6.620 1.00 0.00 O ATOM 1440 CB LYS A 101 12.142 8.124 3.715 1.00 0.00 C ATOM 1441 CG LYS A 101 13.236 7.914 2.658 1.00 0.00 C ATOM 1442 CD LYS A 101 13.198 8.922 1.506 1.00 0.00 C ATOM 1443 CE LYS A 101 13.977 10.216 1.722 1.00 0.00 C ATOM 1444 NZ LYS A 101 13.226 11.270 2.445 1.00 0.00 N ATOM 0 H LYS A 101 9.951 7.934 4.750 1.00 0.00 H new ATOM 0 HA LYS A 101 11.723 6.040 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.308 8.668 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.532 8.742 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.210 7.971 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.142 6.908 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.583 8.435 0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.157 9.177 1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.887 9.989 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.285 10.607 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.825 12.113 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.371 11.517 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.954 10.919 3.386 1.00 0.00 H new ATOM 1458 N ASN A 102 13.710 5.922 5.300 1.00 0.00 N ATOM 1459 CA ASN A 102 14.639 5.350 6.291 1.00 0.00 C ATOM 1460 C ASN A 102 14.644 6.083 7.646 1.00 0.00 C ATOM 1461 O ASN A 102 15.472 6.956 7.913 1.00 0.00 O ATOM 1462 CB ASN A 102 16.070 5.219 5.721 1.00 0.00 C ATOM 1463 CG ASN A 102 16.852 6.514 5.510 1.00 0.00 C ATOM 1464 OD1 ASN A 102 16.268 7.498 4.852 1.00 0.00 O flip ATOM 1465 ND2 ASN A 102 18.033 6.592 5.841 1.00 0.00 N flip ATOM 0 H ASN A 102 14.142 5.995 4.379 1.00 0.00 H new ATOM 0 HA ASN A 102 14.256 4.351 6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 102 16.645 4.581 6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 102 16.008 4.701 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 102 18.472 5.824 6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 102 18.574 7.424 5.608 1.00 0.00 H new ATOM 1472 N GLY A 103 13.691 5.735 8.502 1.00 0.00 N ATOM 1473 CA GLY A 103 13.446 6.366 9.784 1.00 0.00 C ATOM 1474 C GLY A 103 13.054 7.844 9.672 1.00 0.00 C ATOM 1475 O GLY A 103 13.580 8.657 10.436 1.00 0.00 O ATOM 0 H GLY A 103 13.042 4.972 8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.653 5.826 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.342 6.281 10.399 1.00 0.00 H new ATOM 1479 N LYS A 104 12.172 8.230 8.742 1.00 0.00 N ATOM 1480 CA LYS A 104 11.342 9.436 8.820 1.00 0.00 C ATOM 1481 C LYS A 104 10.093 9.250 7.963 1.00 0.00 C ATOM 1482 O LYS A 104 10.171 8.765 6.838 1.00 0.00 O ATOM 1483 CB LYS A 104 12.047 10.712 8.329 1.00 0.00 C ATOM 1484 CG LYS A 104 12.289 11.754 9.420 1.00 0.00 C ATOM 1485 CD LYS A 104 10.992 12.488 9.773 1.00 0.00 C ATOM 1486 CE LYS A 104 11.324 13.695 10.649 1.00 0.00 C ATOM 1487 NZ LYS A 104 10.209 14.041 11.546 1.00 0.00 N ATOM 0 H LYS A 104 12.012 7.695 7.889 1.00 0.00 H new ATOM 0 HA LYS A 104 11.109 9.566 9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.004 10.437 7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.448 11.163 7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.690 11.268 10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.037 12.471 9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.483 12.811 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.311 11.818 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.214 13.481 11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.560 14.550 10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.471 14.864 12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.367 14.269 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.000 13.234 12.168 1.00 0.00 H new ATOM 1501 N GLU A 105 8.972 9.740 8.454 1.00 0.00 N ATOM 1502 CA GLU A 105 7.707 9.865 7.739 1.00 0.00 C ATOM 1503 C GLU A 105 7.869 10.930 6.644 1.00 0.00 C ATOM 1504 O GLU A 105 8.540 11.937 6.897 1.00 0.00 O ATOM 1505 CB GLU A 105 6.658 10.301 8.773 1.00 0.00 C ATOM 1506 CG GLU A 105 5.233 10.255 8.220 1.00 0.00 C ATOM 1507 CD GLU A 105 4.242 10.876 9.203 1.00 0.00 C ATOM 1508 OE1 GLU A 105 4.102 10.358 10.331 1.00 0.00 O ATOM 1509 OE2 GLU A 105 3.628 11.920 8.872 1.00 0.00 O ATOM 0 H GLU A 105 8.911 10.081 9.413 1.00 0.00 H new ATOM 0 HA GLU A 105 7.403 8.931 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.725 9.655 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.882 11.314 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.191 10.788 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.951 9.222 8.018 1.00 0.00 H new ATOM 1516 N ILE A 106 7.252 10.782 5.461 1.00 0.00 N ATOM 1517 CA ILE A 106 7.243 11.827 4.440 1.00 0.00 C ATOM 1518 C ILE A 106 5.838 12.132 3.897 1.00 0.00 C ATOM 1519 O ILE A 106 5.656 13.140 3.211 1.00 0.00 O ATOM 1520 CB ILE A 106 8.186 11.412 3.298 1.00 0.00 C ATOM 1521 CG1 ILE A 106 7.670 10.139 2.578 1.00 0.00 C ATOM 1522 CG2 ILE A 106 9.653 11.325 3.773 1.00 0.00 C ATOM 1523 CD1 ILE A 106 8.311 8.810 2.946 1.00 0.00 C ATOM 0 H ILE A 106 6.749 9.936 5.192 1.00 0.00 H new ATOM 0 HA ILE A 106 7.589 12.750 4.906 1.00 0.00 H new ATOM 0 HB ILE A 106 8.181 12.197 2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.599 10.058 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.795 10.286 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.289 11.029 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.973 12.298 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 106 9.734 10.586 4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.851 8.011 2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 106 9.378 8.848 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.164 8.617 4.009 1.00 0.00 H new ATOM 1535 N GLU A 107 4.848 11.284 4.157 1.00 0.00 N ATOM 1536 CA GLU A 107 3.533 11.288 3.519 1.00 0.00 C ATOM 1537 C GLU A 107 2.509 10.915 4.596 1.00 0.00 C ATOM 1538 O GLU A 107 2.923 10.471 5.669 1.00 0.00 O ATOM 1539 CB GLU A 107 3.626 10.316 2.330 1.00 0.00 C ATOM 1540 CG GLU A 107 2.308 9.982 1.615 1.00 0.00 C ATOM 1541 CD GLU A 107 1.441 8.973 2.365 1.00 0.00 C ATOM 1542 OE1 GLU A 107 1.936 8.298 3.289 1.00 0.00 O ATOM 1543 OE2 GLU A 107 0.250 8.840 2.019 1.00 0.00 O ATOM 0 H GLU A 107 4.943 10.541 4.849 1.00 0.00 H new ATOM 0 HA GLU A 107 3.213 12.250 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.315 10.737 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.068 9.385 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.739 10.901 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.532 9.589 0.623 1.00 0.00 H new ATOM 1550 N LYS A 108 1.212 11.192 4.389 1.00 0.00 N ATOM 1551 CA LYS A 108 0.172 10.958 5.379 1.00 0.00 C ATOM 1552 C LYS A 108 -1.242 10.956 4.765 1.00 0.00 C ATOM 1553 O LYS A 108 -2.156 11.555 5.344 1.00 0.00 O ATOM 1554 CB LYS A 108 0.353 12.022 6.477 1.00 0.00 C ATOM 1555 CG LYS A 108 0.350 13.492 6.018 1.00 0.00 C ATOM 1556 CD LYS A 108 0.777 14.424 7.156 1.00 0.00 C ATOM 1557 CE LYS A 108 0.424 15.871 6.796 1.00 0.00 C ATOM 1558 NZ LYS A 108 1.005 16.830 7.754 1.00 0.00 N ATOM 0 H LYS A 108 0.862 11.589 3.517 1.00 0.00 H new ATOM 0 HA LYS A 108 0.271 9.961 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.442 11.893 7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.295 11.827 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.025 13.613 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.647 13.767 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.278 14.137 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.849 14.333 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.786 16.095 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.660 15.987 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.744 17.798 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.640 16.632 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.041 16.737 7.754 1.00 0.00 H new ATOM 1572 N LYS A 109 -1.449 10.416 3.560 1.00 0.00 N ATOM 1573 CA LYS A 109 -2.751 10.446 2.891 1.00 0.00 C ATOM 1574 C LYS A 109 -3.721 9.455 3.561 1.00 0.00 C ATOM 1575 O LYS A 109 -3.327 8.614 4.371 1.00 0.00 O ATOM 1576 CB LYS A 109 -2.550 10.189 1.381 1.00 0.00 C ATOM 1577 CG LYS A 109 -3.525 11.055 0.570 1.00 0.00 C ATOM 1578 CD LYS A 109 -3.839 10.594 -0.852 1.00 0.00 C ATOM 1579 CE LYS A 109 -2.784 10.989 -1.887 1.00 0.00 C ATOM 1580 NZ LYS A 109 -2.670 12.452 -2.055 1.00 0.00 N ATOM 0 H LYS A 109 -0.720 9.947 3.023 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.212 11.429 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.523 10.419 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.714 9.135 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.463 11.117 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.119 12.065 0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.946 9.509 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.800 11.010 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.817 10.586 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.034 10.536 -2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.172 12.662 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.620 12.873 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.137 12.853 -1.257 1.00 0.00 H new ATOM 1594 N SER A 110 -5.005 9.571 3.237 1.00 0.00 N ATOM 1595 CA SER A 110 -6.100 8.713 3.663 1.00 0.00 C ATOM 1596 C SER A 110 -7.148 8.771 2.548 1.00 0.00 C ATOM 1597 O SER A 110 -7.129 9.722 1.759 1.00 0.00 O ATOM 1598 CB SER A 110 -6.607 9.271 5.002 1.00 0.00 C ATOM 1599 OG SER A 110 -7.739 8.618 5.553 1.00 0.00 O ATOM 0 H SER A 110 -5.328 10.321 2.626 1.00 0.00 H new ATOM 0 HA SER A 110 -5.825 7.670 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.794 9.221 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.849 10.325 4.867 1.00 0.00 H new ATOM 0 HG SER A 110 -7.633 7.648 5.463 1.00 0.00 H new ATOM 1605 N LEU A 111 -8.059 7.795 2.469 1.00 0.00 N ATOM 1606 CA LEU A 111 -9.119 7.749 1.466 1.00 0.00 C ATOM 1607 C LEU A 111 -10.440 7.441 2.148 1.00 0.00 C ATOM 1608 O LEU A 111 -10.520 6.571 3.026 1.00 0.00 O ATOM 1609 CB LEU A 111 -8.862 6.652 0.423 1.00 0.00 C ATOM 1610 CG LEU A 111 -7.585 6.816 -0.410 1.00 0.00 C ATOM 1611 CD1 LEU A 111 -7.480 5.632 -1.358 1.00 0.00 C ATOM 1612 CD2 LEU A 111 -7.465 8.112 -1.221 1.00 0.00 C ATOM 0 H LEU A 111 -8.077 7.004 3.112 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.144 8.717 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.819 5.691 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.714 6.614 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.771 6.864 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.577 5.728 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.435 4.708 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.352 5.610 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.522 8.113 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.293 8.178 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.494 8.968 -0.546 1.00 0.00 H new ATOM 1624 N VAL A 112 -11.493 8.089 1.671 1.00 0.00 N ATOM 1625 CA VAL A 112 -12.867 7.893 2.069 1.00 0.00 C ATOM 1626 C VAL A 112 -13.709 7.863 0.796 1.00 0.00 C ATOM 1627 O VAL A 112 -13.794 8.853 0.063 1.00 0.00 O ATOM 1628 CB VAL A 112 -13.260 8.954 3.111 1.00 0.00 C ATOM 1629 CG1 VAL A 112 -13.001 10.405 2.687 1.00 0.00 C ATOM 1630 CG2 VAL A 112 -14.721 8.775 3.554 1.00 0.00 C ATOM 0 H VAL A 112 -11.398 8.807 0.953 1.00 0.00 H new ATOM 0 HA VAL A 112 -13.037 6.944 2.578 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.593 8.777 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.310 11.078 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -11.938 10.542 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.571 10.628 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -14.974 9.537 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -15.378 8.874 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -14.849 7.787 3.996 1.00 0.00 H new ATOM 1640 N PHE A 113 -14.307 6.709 0.523 1.00 0.00 N ATOM 1641 CA PHE A 113 -15.361 6.540 -0.456 1.00 0.00 C ATOM 1642 C PHE A 113 -16.625 6.294 0.333 1.00 0.00 C ATOM 1643 O PHE A 113 -16.646 5.429 1.204 1.00 0.00 O ATOM 1644 CB PHE A 113 -15.035 5.383 -1.406 1.00 0.00 C ATOM 1645 CG PHE A 113 -14.791 5.872 -2.817 1.00 0.00 C ATOM 1646 CD1 PHE A 113 -13.519 6.357 -3.172 1.00 0.00 C ATOM 1647 CD2 PHE A 113 -15.829 5.870 -3.769 1.00 0.00 C ATOM 1648 CE1 PHE A 113 -13.274 6.824 -4.474 1.00 0.00 C ATOM 1649 CE2 PHE A 113 -15.580 6.336 -5.073 1.00 0.00 C ATOM 1650 CZ PHE A 113 -14.308 6.822 -5.423 1.00 0.00 C ATOM 0 H PHE A 113 -14.059 5.840 0.996 1.00 0.00 H new ATOM 0 HA PHE A 113 -15.475 7.419 -1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -14.153 4.854 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -15.858 4.668 -1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -12.726 6.370 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -16.812 5.512 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -12.292 7.184 -4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -16.370 6.320 -5.809 1.00 0.00 H new ATOM 0 HZ PHE A 113 -14.127 7.193 -6.421 1.00 0.00 H new ATOM 1796 N ASP A 123 -8.190 5.954 -7.308 1.00 0.00 N ATOM 1797 CA ASP A 123 -7.929 6.037 -5.868 1.00 0.00 C ATOM 1798 C ASP A 123 -6.464 6.381 -5.587 1.00 0.00 C ATOM 1799 O ASP A 123 -6.158 7.506 -5.196 1.00 0.00 O ATOM 1800 CB ASP A 123 -8.267 4.710 -5.176 1.00 0.00 C ATOM 1801 CG ASP A 123 -9.731 4.525 -4.807 1.00 0.00 C ATOM 1802 OD1 ASP A 123 -10.308 5.413 -4.145 1.00 0.00 O ATOM 1803 OD2 ASP A 123 -10.266 3.445 -5.139 1.00 0.00 O ATOM 0 HA ASP A 123 -8.564 6.829 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.968 3.891 -5.830 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.668 4.629 -4.269 1.00 0.00 H new ATOM 1808 N LEU A 124 -5.551 5.407 -5.710 1.00 0.00 N ATOM 1809 CA LEU A 124 -4.264 5.408 -5.012 1.00 0.00 C ATOM 1810 C LEU A 124 -3.133 5.414 -6.038 1.00 0.00 C ATOM 1811 O LEU A 124 -3.113 4.582 -6.951 1.00 0.00 O ATOM 1812 CB LEU A 124 -4.198 4.207 -4.047 1.00 0.00 C ATOM 1813 CG LEU A 124 -3.546 4.531 -2.689 1.00 0.00 C ATOM 1814 CD1 LEU A 124 -3.728 3.362 -1.719 1.00 0.00 C ATOM 1815 CD2 LEU A 124 -2.045 4.802 -2.792 1.00 0.00 C ATOM 0 H LEU A 124 -5.690 4.589 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.153 6.307 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.208 3.836 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.640 3.401 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.044 5.433 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.262 3.606 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -4.791 3.177 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.260 2.469 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.647 5.024 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.543 3.923 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.873 5.653 -3.451 1.00 0.00 H new ATOM 1827 N ASN A 125 -2.243 6.400 -5.928 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.373 6.922 -6.982 1.00 0.00 C ATOM 1829 C ASN A 125 -0.044 7.440 -6.419 1.00 0.00 C ATOM 1830 O ASN A 125 0.512 8.430 -6.890 1.00 0.00 O ATOM 1831 CB ASN A 125 -2.121 8.063 -7.689 1.00 0.00 C ATOM 1832 CG ASN A 125 -2.635 9.102 -6.700 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -1.901 9.717 -5.934 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -3.935 9.182 -6.535 1.00 0.00 N ATOM 0 H ASN A 125 -2.101 6.887 -5.043 1.00 0.00 H new ATOM 0 HA ASN A 125 -1.134 6.119 -7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.456 8.543 -8.407 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.958 7.653 -8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -4.319 9.749 -5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -4.561 8.677 -7.163 1.00 0.00 H new ATOM 1841 N LEU A 126 0.440 6.816 -5.356 1.00 0.00 N ATOM 1842 CA LEU A 126 1.695 7.220 -4.723 1.00 0.00 C ATOM 1843 C LEU A 126 2.894 6.649 -5.491 1.00 0.00 C ATOM 1844 O LEU A 126 2.821 5.560 -6.079 1.00 0.00 O ATOM 1845 CB LEU A 126 1.696 6.773 -3.253 1.00 0.00 C ATOM 1846 CG LEU A 126 1.365 7.880 -2.230 1.00 0.00 C ATOM 1847 CD1 LEU A 126 0.092 8.692 -2.520 1.00 0.00 C ATOM 1848 CD2 LEU A 126 1.185 7.186 -0.884 1.00 0.00 C ATOM 0 H LEU A 126 -0.018 6.022 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 126 1.783 8.306 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.975 5.964 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.677 6.362 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 126 2.183 8.600 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.047 9.442 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.188 9.187 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.769 8.024 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.948 7.928 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.372 6.464 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.107 6.670 -0.615 1.00 0.00 H new ATOM 1860 N TYR A 127 3.999 7.401 -5.467 1.00 0.00 N ATOM 1861 CA TYR A 127 5.304 7.052 -5.997 1.00 0.00 C ATOM 1862 C TYR A 127 6.379 7.916 -5.345 1.00 0.00 C ATOM 1863 O TYR A 127 6.206 9.130 -5.199 1.00 0.00 O ATOM 1864 CB TYR A 127 5.322 7.164 -7.524 1.00 0.00 C ATOM 1865 CG TYR A 127 4.316 8.105 -8.168 1.00 0.00 C ATOM 1866 CD1 TYR A 127 4.416 9.500 -8.021 1.00 0.00 C ATOM 1867 CD2 TYR A 127 3.233 7.553 -8.881 1.00 0.00 C ATOM 1868 CE1 TYR A 127 3.414 10.338 -8.547 1.00 0.00 C ATOM 1869 CE2 TYR A 127 2.235 8.380 -9.413 1.00 0.00 C ATOM 1870 CZ TYR A 127 2.304 9.779 -9.226 1.00 0.00 C ATOM 1871 OH TYR A 127 1.344 10.594 -9.743 1.00 0.00 O ATOM 0 H TYR A 127 3.996 8.330 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 127 5.520 6.011 -5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 127 6.320 7.480 -7.827 1.00 0.00 H new ATOM 0 HB3 TYR A 127 5.164 6.168 -7.937 1.00 0.00 H new ATOM 0 HD1 TYR A 127 5.262 9.929 -7.504 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.172 6.484 -9.018 1.00 0.00 H new ATOM 0 HE1 TYR A 127 3.492 11.409 -8.432 1.00 0.00 H new ATOM 0 HE2 TYR A 127 1.414 7.949 -9.966 1.00 0.00 H new ATOM 0 HH TYR A 127 0.653 10.051 -10.177 1.00 0.00 H new ATOM 1881 N TYR A 128 7.487 7.280 -4.965 1.00 0.00 N ATOM 1882 CA TYR A 128 8.635 7.852 -4.283 1.00 0.00 C ATOM 1883 C TYR A 128 9.927 7.229 -4.807 1.00 0.00 C ATOM 1884 O TYR A 128 9.910 6.120 -5.343 1.00 0.00 O ATOM 1885 CB TYR A 128 8.507 7.631 -2.766 1.00 0.00 C ATOM 1886 CG TYR A 128 7.402 8.452 -2.143 1.00 0.00 C ATOM 1887 CD1 TYR A 128 7.429 9.852 -2.293 1.00 0.00 C ATOM 1888 CD2 TYR A 128 6.326 7.824 -1.488 1.00 0.00 C ATOM 1889 CE1 TYR A 128 6.341 10.623 -1.871 1.00 0.00 C ATOM 1890 CE2 TYR A 128 5.240 8.601 -1.045 1.00 0.00 C ATOM 1891 CZ TYR A 128 5.225 9.993 -1.286 1.00 0.00 C ATOM 1892 OH TYR A 128 4.127 10.730 -0.992 1.00 0.00 O ATOM 0 H TYR A 128 7.609 6.283 -5.140 1.00 0.00 H new ATOM 0 HA TYR A 128 8.666 8.924 -4.480 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.321 6.575 -2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.453 7.881 -2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.291 10.331 -2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.334 6.756 -1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.356 11.696 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.419 8.134 -0.521 1.00 0.00 H new ATOM 0 HH TYR A 128 3.330 10.289 -1.355 1.00 0.00 H new ATOM 1902 N ASN A 129 11.047 7.929 -4.618 1.00 0.00 N ATOM 1903 CA ASN A 129 12.402 7.529 -4.988 1.00 0.00 C ATOM 1904 C ASN A 129 13.396 8.218 -4.072 1.00 0.00 C ATOM 1905 O ASN A 129 12.988 9.197 -3.413 1.00 0.00 O ATOM 1906 CB ASN A 129 12.688 7.836 -6.465 1.00 0.00 C ATOM 1907 CG ASN A 129 13.111 9.268 -6.740 1.00 0.00 C ATOM 1908 OD1 ASN A 129 14.277 9.638 -6.631 1.00 0.00 O ATOM 1909 ND2 ASN A 129 12.185 10.113 -7.146 1.00 0.00 N ATOM 0 H ASN A 129 11.029 8.847 -4.175 1.00 0.00 H new ATOM 0 HA ASN A 129 12.502 6.450 -4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 129 13.471 7.165 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 129 11.794 7.616 -7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 129 12.436 11.076 -7.370 1.00 0.00 H new ATOM 0 HD22 ASN A 129 11.217 9.804 -7.236 1.00 0.00 H new