USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 649 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 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 61:sc= 0.117 USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 16 ASN : amide:sc= 0.44 X(o=1.8,f=1.8) USER MOD Set 3.2: A 27 TYR OH : rot 40:sc= 0.0266 USER MOD Set 3.3: A 58 THR OG1 : rot 71:sc= 0.443 USER MOD Set 3.4: A 79 TYR OH : rot -155:sc= 0.902 USER MOD Set 4.1: A 15 GLN : amide:sc= 0.754 K(o=1.6,f=-1.9!) USER MOD Set 4.2: A 28 THR OG1 : rot -90:sc= 0.848 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.187 F(o=-0.76,f=-0.19) USER MOD Single : A 17 ASN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.303 K(o=-0.3,f=-4.3!) USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.575 USER MOD Single : A 29 TYR OH : rot 177:sc= 0.0629 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.219 F(o=-2!,f=-0.22) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0.338 (180deg=0.273) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 0.36 (180deg=0.308) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 149:sc= 0.846 (180deg=0.305) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0.0101 X(o=0.01,f=0) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc=-0.000362 (180deg=-0.0861) USER MOD Single : A 56 SER OG : rot 39:sc= -0.0556 USER MOD Single : A 59 SER OG : rot 102:sc= -1.35 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.59! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0.772 (180deg=0.606) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0122) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 -14.459 -0.378 -0.977 1.00 43.23 N ATOM 171 CA ASP A 11 -13.373 0.061 -1.877 1.00 63.30 C ATOM 172 C ASP A 11 -12.030 0.051 -1.145 1.00 74.34 C ATOM 173 O ASP A 11 -11.972 0.160 0.087 1.00 21.40 O ATOM 174 CB ASP A 11 -13.648 1.489 -2.429 1.00 13.03 C ATOM 175 CG ASP A 11 -14.858 1.556 -3.375 1.00 2.55 C ATOM 176 OD1 ASP A 11 -14.728 1.162 -4.542 1.00 54.53 O ATOM 177 OD2 ASP A 11 -15.951 1.990 -2.952 1.00 11.30 O ATOM 0 HA ASP A 11 -13.334 -0.639 -2.712 1.00 63.30 H new ATOM 0 HB2 ASP A 11 -13.812 2.168 -1.593 1.00 13.03 H new ATOM 0 HB3 ASP A 11 -12.763 1.843 -2.958 1.00 13.03 H new ATOM 182 N ILE A 12 -10.962 -0.103 -1.923 1.00 24.34 N ATOM 183 CA ILE A 12 -9.584 -0.026 -1.431 1.00 2.14 C ATOM 184 C ILE A 12 -9.062 1.406 -1.659 1.00 64.31 C ATOM 185 O ILE A 12 -8.746 1.783 -2.795 1.00 51.03 O ATOM 186 CB ILE A 12 -8.664 -1.053 -2.195 1.00 63.51 C ATOM 187 CG1 ILE A 12 -9.217 -2.511 -2.081 1.00 2.13 C ATOM 188 CG2 ILE A 12 -7.199 -0.979 -1.711 1.00 14.32 C ATOM 189 CD1 ILE A 12 -8.554 -3.520 -3.014 1.00 3.02 C ATOM 0 H ILE A 12 -11.027 -0.287 -2.924 1.00 24.34 H new ATOM 0 HA ILE A 12 -9.564 -0.273 -0.369 1.00 2.14 H new ATOM 0 HB ILE A 12 -8.677 -0.771 -3.248 1.00 63.51 H new ATOM 0 HG12 ILE A 12 -9.094 -2.852 -1.053 1.00 2.13 H new ATOM 0 HG13 ILE A 12 -10.287 -2.496 -2.286 1.00 2.13 H new ATOM 0 HG21 ILE A 12 -6.597 -1.702 -2.262 1.00 14.32 H new ATOM 0 HG22 ILE A 12 -6.809 0.024 -1.883 1.00 14.32 H new ATOM 0 HG23 ILE A 12 -7.156 -1.207 -0.646 1.00 14.32 H new ATOM 0 HD11 ILE A 12 -9.002 -4.503 -2.865 1.00 3.02 H new ATOM 0 HD12 ILE A 12 -8.699 -3.209 -4.049 1.00 3.02 H new ATOM 0 HD13 ILE A 12 -7.487 -3.570 -2.796 1.00 3.02 H new ATOM 201 N GLN A 13 -9.006 2.198 -0.585 1.00 62.14 N ATOM 202 CA GLN A 13 -8.407 3.538 -0.604 1.00 22.25 C ATOM 203 C GLN A 13 -6.912 3.421 -0.259 1.00 23.52 C ATOM 204 O GLN A 13 -6.532 2.750 0.708 1.00 54.42 O ATOM 205 CB GLN A 13 -9.130 4.481 0.389 1.00 71.14 C ATOM 206 CG GLN A 13 -8.569 5.920 0.439 1.00 44.14 C ATOM 207 CD GLN A 13 -9.224 6.802 1.507 1.00 61.50 C ATOM 208 OE1 GLN A 13 -8.462 7.736 2.055 1.00 73.14 O flip ATOM 209 NE2 GLN A 13 -10.400 6.644 1.843 1.00 75.21 N flip ATOM 0 H GLN A 13 -9.376 1.928 0.326 1.00 62.14 H new ATOM 0 HA GLN A 13 -8.516 3.969 -1.599 1.00 22.25 H new ATOM 0 HB2 GLN A 13 -10.186 4.526 0.122 1.00 71.14 H new ATOM 0 HB3 GLN A 13 -9.072 4.048 1.388 1.00 71.14 H new ATOM 0 HG2 GLN A 13 -7.496 5.875 0.626 1.00 44.14 H new ATOM 0 HG3 GLN A 13 -8.704 6.387 -0.537 1.00 44.14 H new ATOM 0 HE21 GLN A 13 -10.963 5.916 1.403 1.00 75.21 H new ATOM 0 HE22 GLN A 13 -10.810 7.241 2.561 1.00 75.21 H new ATOM 218 N VAL A 14 -6.087 4.079 -1.071 1.00 72.20 N ATOM 219 CA VAL A 14 -4.633 4.028 -0.999 1.00 1.15 C ATOM 220 C VAL A 14 -4.120 5.457 -0.767 1.00 33.42 C ATOM 221 O VAL A 14 -4.207 6.307 -1.657 1.00 42.11 O ATOM 222 CB VAL A 14 -4.020 3.438 -2.327 1.00 12.10 C ATOM 223 CG1 VAL A 14 -2.508 3.183 -2.167 1.00 30.24 C ATOM 224 CG2 VAL A 14 -4.764 2.154 -2.771 1.00 1.11 C ATOM 0 H VAL A 14 -6.426 4.681 -1.821 1.00 72.20 H new ATOM 0 HA VAL A 14 -4.329 3.375 -0.181 1.00 1.15 H new ATOM 0 HB VAL A 14 -4.154 4.179 -3.115 1.00 12.10 H new ATOM 0 HG11 VAL A 14 -2.107 2.776 -3.096 1.00 30.24 H new ATOM 0 HG12 VAL A 14 -2.004 4.121 -1.934 1.00 30.24 H new ATOM 0 HG13 VAL A 14 -2.343 2.471 -1.358 1.00 30.24 H new ATOM 0 HG21 VAL A 14 -4.317 1.773 -3.689 1.00 1.11 H new ATOM 0 HG22 VAL A 14 -4.685 1.399 -1.989 1.00 1.11 H new ATOM 0 HG23 VAL A 14 -5.814 2.385 -2.948 1.00 1.11 H new ATOM 234 N GLN A 15 -3.627 5.721 0.444 1.00 21.51 N ATOM 235 CA GLN A 15 -3.063 7.026 0.834 1.00 53.33 C ATOM 236 C GLN A 15 -1.539 6.943 0.861 1.00 74.55 C ATOM 237 O GLN A 15 -0.976 5.877 1.126 1.00 51.13 O ATOM 238 CB GLN A 15 -3.610 7.456 2.233 1.00 73.12 C ATOM 239 CG GLN A 15 -5.008 8.115 2.216 1.00 13.15 C ATOM 240 CD GLN A 15 -4.993 9.592 1.796 1.00 43.41 C ATOM 241 OE1 GLN A 15 -4.124 10.042 1.048 1.00 21.24 O ATOM 242 NE2 GLN A 15 -5.978 10.358 2.259 1.00 63.21 N ATOM 0 H GLN A 15 -3.605 5.030 1.194 1.00 21.51 H new ATOM 0 HA GLN A 15 -3.363 7.776 0.102 1.00 53.33 H new ATOM 0 HB2 GLN A 15 -3.647 6.577 2.877 1.00 73.12 H new ATOM 0 HB3 GLN A 15 -2.903 8.152 2.684 1.00 73.12 H new ATOM 0 HG2 GLN A 15 -5.653 7.560 1.534 1.00 13.15 H new ATOM 0 HG3 GLN A 15 -5.449 8.034 3.209 1.00 13.15 H new ATOM 0 HE21 GLN A 15 -6.685 9.961 2.877 1.00 63.21 H new ATOM 0 HE22 GLN A 15 -6.025 11.342 1.996 1.00 63.21 H new ATOM 251 N ASN A 16 -0.881 8.075 0.579 1.00 34.40 N ATOM 252 CA ASN A 16 0.569 8.206 0.737 1.00 62.24 C ATOM 253 C ASN A 16 0.912 9.625 1.212 1.00 51.33 C ATOM 254 O ASN A 16 0.659 10.598 0.503 1.00 50.22 O ATOM 255 CB ASN A 16 1.335 7.862 -0.565 1.00 30.55 C ATOM 256 CG ASN A 16 2.858 7.841 -0.348 1.00 54.54 C ATOM 257 OD1 ASN A 16 3.543 8.859 -0.470 1.00 13.34 O ATOM 258 ND2 ASN A 16 3.401 6.679 -0.018 1.00 2.42 N ATOM 0 H ASN A 16 -1.338 8.920 0.237 1.00 34.40 H new ATOM 0 HA ASN A 16 0.889 7.485 1.489 1.00 62.24 H new ATOM 0 HB2 ASN A 16 1.008 6.889 -0.932 1.00 30.55 H new ATOM 0 HB3 ASN A 16 1.088 8.593 -1.335 1.00 30.55 H new ATOM 0 HD21 ASN A 16 4.406 6.613 0.141 1.00 2.42 H new ATOM 0 HD22 ASN A 16 2.814 5.850 0.077 1.00 2.42 H new ATOM 265 N ASN A 17 1.462 9.719 2.436 1.00 23.34 N ATOM 266 CA ASN A 17 1.958 10.977 3.008 1.00 2.43 C ATOM 267 C ASN A 17 3.484 10.969 2.912 1.00 52.30 C ATOM 268 O ASN A 17 4.155 10.176 3.582 1.00 51.20 O ATOM 269 CB ASN A 17 1.516 11.116 4.492 1.00 34.12 C ATOM 270 CG ASN A 17 -0.005 11.074 4.701 1.00 35.45 C ATOM 271 OD1 ASN A 17 -0.474 10.581 5.723 1.00 35.24 O ATOM 272 ND2 ASN A 17 -0.786 11.608 3.764 1.00 22.14 N ATOM 0 H ASN A 17 1.574 8.918 3.057 1.00 23.34 H new ATOM 0 HA ASN A 17 1.546 11.823 2.458 1.00 2.43 H new ATOM 0 HB2 ASN A 17 1.974 10.315 5.073 1.00 34.12 H new ATOM 0 HB3 ASN A 17 1.900 12.056 4.888 1.00 34.12 H new ATOM 0 HD21 ASN A 17 -1.799 11.614 3.887 1.00 22.14 H new ATOM 0 HD22 ASN A 17 -0.372 12.011 2.924 1.00 22.14 H new ATOM 279 N ASN A 18 4.021 11.838 2.050 1.00 70.23 N ATOM 280 CA ASN A 18 5.468 11.933 1.797 1.00 42.13 C ATOM 281 C ASN A 18 5.992 13.263 2.375 1.00 11.20 C ATOM 282 O ASN A 18 5.297 14.286 2.333 1.00 42.34 O ATOM 283 CB ASN A 18 5.754 11.795 0.268 1.00 23.20 C ATOM 284 CG ASN A 18 7.230 11.510 -0.075 1.00 1.41 C ATOM 285 OD1 ASN A 18 8.148 12.039 0.545 1.00 53.11 O ATOM 286 ND2 ASN A 18 7.461 10.620 -1.037 1.00 63.41 N ATOM 0 H ASN A 18 3.466 12.498 1.505 1.00 70.23 H new ATOM 0 HA ASN A 18 5.996 11.119 2.293 1.00 42.13 H new ATOM 0 HB2 ASN A 18 5.137 10.991 -0.135 1.00 23.20 H new ATOM 0 HB3 ASN A 18 5.447 12.714 -0.232 1.00 23.20 H new ATOM 0 HD21 ASN A 18 8.419 10.363 -1.274 1.00 63.41 H new ATOM 0 HD22 ASN A 18 6.680 10.195 -1.537 1.00 63.41 H new ATOM 293 N THR A 19 7.211 13.220 2.926 1.00 62.01 N ATOM 294 CA THR A 19 7.853 14.345 3.602 1.00 21.30 C ATOM 295 C THR A 19 8.992 14.860 2.705 1.00 64.24 C ATOM 296 O THR A 19 10.005 14.166 2.527 1.00 22.24 O ATOM 297 CB THR A 19 8.404 13.874 4.988 1.00 24.03 C ATOM 298 OG1 THR A 19 7.372 13.165 5.694 1.00 41.40 O ATOM 299 CG2 THR A 19 8.880 15.048 5.849 1.00 54.54 C ATOM 0 H THR A 19 7.789 12.380 2.912 1.00 62.01 H new ATOM 0 HA THR A 19 7.139 15.150 3.776 1.00 21.30 H new ATOM 0 HB THR A 19 9.260 13.226 4.800 1.00 24.03 H new ATOM 0 HG1 THR A 19 7.584 13.146 6.651 1.00 41.40 H new ATOM 0 HG21 THR A 19 9.254 14.673 6.802 1.00 54.54 H new ATOM 0 HG22 THR A 19 9.678 15.580 5.330 1.00 54.54 H new ATOM 0 HG23 THR A 19 8.048 15.728 6.029 1.00 54.54 H new ATOM 407 N TYR A 27 -0.892 11.473 -4.102 1.00 55.42 N ATOM 408 CA TYR A 27 -1.510 10.501 -5.023 1.00 4.35 C ATOM 409 C TYR A 27 -2.386 9.504 -4.239 1.00 31.31 C ATOM 410 O TYR A 27 -1.948 8.409 -3.860 1.00 63.25 O ATOM 411 CB TYR A 27 -0.420 9.800 -5.906 1.00 44.03 C ATOM 412 CG TYR A 27 0.853 9.321 -5.161 1.00 72.51 C ATOM 413 CD1 TYR A 27 1.848 10.234 -4.799 1.00 32.22 C ATOM 414 CD2 TYR A 27 1.069 7.975 -4.837 1.00 50.33 C ATOM 415 CE1 TYR A 27 2.990 9.835 -4.148 1.00 62.15 C ATOM 416 CE2 TYR A 27 2.225 7.576 -4.187 1.00 63.43 C ATOM 417 CZ TYR A 27 3.176 8.512 -3.847 1.00 75.51 C ATOM 418 OH TYR A 27 4.330 8.123 -3.216 1.00 24.31 O ATOM 0 HA TYR A 27 -2.170 11.027 -5.713 1.00 4.35 H new ATOM 0 HB2 TYR A 27 -0.876 8.939 -6.396 1.00 44.03 H new ATOM 0 HB3 TYR A 27 -0.118 10.492 -6.693 1.00 44.03 H new ATOM 0 HD1 TYR A 27 1.716 11.279 -5.037 1.00 32.22 H new ATOM 0 HD2 TYR A 27 0.324 7.238 -5.098 1.00 50.33 H new ATOM 0 HE1 TYR A 27 3.739 10.563 -3.874 1.00 62.15 H new ATOM 0 HE2 TYR A 27 2.380 6.534 -3.948 1.00 63.43 H new ATOM 0 HH TYR A 27 4.570 8.785 -2.535 1.00 24.31 H new ATOM 428 N THR A 28 -3.630 9.940 -3.953 1.00 24.52 N ATOM 429 CA THR A 28 -4.650 9.111 -3.305 1.00 13.24 C ATOM 430 C THR A 28 -5.456 8.363 -4.378 1.00 15.11 C ATOM 431 O THR A 28 -6.027 8.989 -5.276 1.00 24.43 O ATOM 432 CB THR A 28 -5.623 9.980 -2.440 1.00 73.11 C ATOM 433 OG1 THR A 28 -4.868 10.831 -1.569 1.00 42.42 O ATOM 434 CG2 THR A 28 -6.582 9.111 -1.597 1.00 4.31 C ATOM 0 H THR A 28 -3.950 10.884 -4.169 1.00 24.52 H new ATOM 0 HA THR A 28 -4.147 8.402 -2.648 1.00 13.24 H new ATOM 0 HB THR A 28 -6.225 10.577 -3.125 1.00 73.11 H new ATOM 0 HG1 THR A 28 -4.704 10.368 -0.721 1.00 42.42 H new ATOM 0 HG21 THR A 28 -7.239 9.756 -1.013 1.00 4.31 H new ATOM 0 HG22 THR A 28 -7.182 8.485 -2.258 1.00 4.31 H new ATOM 0 HG23 THR A 28 -6.003 8.478 -0.925 1.00 4.31 H new ATOM 442 N TYR A 29 -5.483 7.030 -4.300 1.00 54.32 N ATOM 443 CA TYR A 29 -6.222 6.184 -5.248 1.00 34.42 C ATOM 444 C TYR A 29 -7.378 5.498 -4.527 1.00 32.42 C ATOM 445 O TYR A 29 -7.294 5.247 -3.334 1.00 51.42 O ATOM 446 CB TYR A 29 -5.264 5.145 -5.883 1.00 14.24 C ATOM 447 CG TYR A 29 -4.074 5.801 -6.608 1.00 52.41 C ATOM 448 CD1 TYR A 29 -4.279 6.563 -7.761 1.00 3.13 C ATOM 449 CD2 TYR A 29 -2.762 5.684 -6.129 1.00 3.14 C ATOM 450 CE1 TYR A 29 -3.229 7.179 -8.408 1.00 42.23 C ATOM 451 CE2 TYR A 29 -1.711 6.294 -6.778 1.00 52.05 C ATOM 452 CZ TYR A 29 -1.949 7.039 -7.913 1.00 52.41 C ATOM 453 OH TYR A 29 -0.902 7.649 -8.557 1.00 44.24 O ATOM 0 H TYR A 29 -4.993 6.503 -3.577 1.00 54.32 H new ATOM 0 HA TYR A 29 -6.633 6.800 -6.048 1.00 34.42 H new ATOM 0 HB2 TYR A 29 -4.889 4.480 -5.105 1.00 14.24 H new ATOM 0 HB3 TYR A 29 -5.820 4.528 -6.589 1.00 14.24 H new ATOM 0 HD1 TYR A 29 -5.279 6.672 -8.153 1.00 3.13 H new ATOM 0 HD2 TYR A 29 -2.572 5.106 -5.237 1.00 3.14 H new ATOM 0 HE1 TYR A 29 -3.407 7.767 -9.296 1.00 42.23 H new ATOM 0 HE2 TYR A 29 -0.705 6.189 -6.399 1.00 52.05 H new ATOM 0 HH TYR A 29 -0.074 7.494 -8.056 1.00 44.24 H new ATOM 463 N THR A 30 -8.487 5.265 -5.233 1.00 32.43 N ATOM 464 CA THR A 30 -9.587 4.437 -4.731 1.00 64.35 C ATOM 465 C THR A 30 -9.943 3.432 -5.829 1.00 33.11 C ATOM 466 O THR A 30 -10.505 3.808 -6.862 1.00 13.42 O ATOM 467 CB THR A 30 -10.824 5.308 -4.328 1.00 34.32 C ATOM 468 OG1 THR A 30 -10.410 6.329 -3.394 1.00 64.03 O ATOM 469 CG2 THR A 30 -11.946 4.457 -3.701 1.00 43.42 C ATOM 0 H THR A 30 -8.648 5.644 -6.166 1.00 32.43 H new ATOM 0 HA THR A 30 -9.280 3.913 -3.826 1.00 64.35 H new ATOM 0 HB THR A 30 -11.221 5.765 -5.234 1.00 34.32 H new ATOM 0 HG1 THR A 30 -11.184 6.875 -3.143 1.00 64.03 H new ATOM 0 HG21 THR A 30 -12.785 5.100 -3.436 1.00 43.42 H new ATOM 0 HG22 THR A 30 -12.277 3.706 -4.418 1.00 43.42 H new ATOM 0 HG23 THR A 30 -11.570 3.963 -2.805 1.00 43.42 H new ATOM 477 N VAL A 31 -9.549 2.165 -5.624 1.00 1.24 N ATOM 478 CA VAL A 31 -9.771 1.072 -6.586 1.00 72.13 C ATOM 479 C VAL A 31 -10.806 0.083 -6.008 1.00 54.10 C ATOM 480 O VAL A 31 -10.695 -0.353 -4.858 1.00 52.04 O ATOM 481 CB VAL A 31 -8.412 0.342 -6.954 1.00 61.51 C ATOM 482 CG1 VAL A 31 -7.444 1.311 -7.673 1.00 34.41 C ATOM 483 CG2 VAL A 31 -7.727 -0.280 -5.718 1.00 31.42 C ATOM 0 H VAL A 31 -9.063 1.867 -4.778 1.00 1.24 H new ATOM 0 HA VAL A 31 -10.164 1.490 -7.513 1.00 72.13 H new ATOM 0 HB VAL A 31 -8.665 -0.474 -7.631 1.00 61.51 H new ATOM 0 HG11 VAL A 31 -6.519 0.788 -7.915 1.00 34.41 H new ATOM 0 HG12 VAL A 31 -7.907 1.674 -8.591 1.00 34.41 H new ATOM 0 HG13 VAL A 31 -7.223 2.155 -7.020 1.00 34.41 H new ATOM 0 HG21 VAL A 31 -6.801 -0.768 -6.022 1.00 31.42 H new ATOM 0 HG22 VAL A 31 -7.504 0.503 -4.993 1.00 31.42 H new ATOM 0 HG23 VAL A 31 -8.392 -1.015 -5.265 1.00 31.42 H new ATOM 493 N THR A 32 -11.836 -0.229 -6.804 1.00 51.43 N ATOM 494 CA THR A 32 -12.899 -1.185 -6.420 1.00 23.21 C ATOM 495 C THR A 32 -12.477 -2.625 -6.774 1.00 22.01 C ATOM 496 O THR A 32 -13.022 -3.600 -6.237 1.00 73.33 O ATOM 497 CB THR A 32 -14.265 -0.821 -7.102 1.00 23.24 C ATOM 498 OG1 THR A 32 -15.294 -1.748 -6.710 1.00 31.14 O ATOM 499 CG2 THR A 32 -14.174 -0.784 -8.635 1.00 41.15 C ATOM 0 H THR A 32 -11.962 0.171 -7.734 1.00 51.43 H new ATOM 0 HA THR A 32 -13.041 -1.119 -5.341 1.00 23.21 H new ATOM 0 HB THR A 32 -14.518 0.182 -6.759 1.00 23.24 H new ATOM 0 HG1 THR A 32 -16.138 -1.503 -7.144 1.00 31.14 H new ATOM 0 HG21 THR A 32 -15.148 -0.527 -9.051 1.00 41.15 H new ATOM 0 HG22 THR A 32 -13.441 -0.036 -8.938 1.00 41.15 H new ATOM 0 HG23 THR A 32 -13.868 -1.763 -9.005 1.00 41.15 H new ATOM 507 N THR A 33 -11.494 -2.741 -7.682 1.00 62.22 N ATOM 508 CA THR A 33 -10.930 -4.021 -8.115 1.00 54.01 C ATOM 509 C THR A 33 -9.468 -4.120 -7.632 1.00 72.10 C ATOM 510 O THR A 33 -8.672 -3.197 -7.841 1.00 50.13 O ATOM 511 CB THR A 33 -11.010 -4.165 -9.674 1.00 24.14 C ATOM 512 OG1 THR A 33 -12.365 -3.930 -10.117 1.00 15.31 O ATOM 513 CG2 THR A 33 -10.545 -5.555 -10.158 1.00 4.23 C ATOM 0 H THR A 33 -11.066 -1.936 -8.139 1.00 62.22 H new ATOM 0 HA THR A 33 -11.509 -4.834 -7.678 1.00 54.01 H new ATOM 0 HB THR A 33 -10.337 -3.423 -10.104 1.00 24.14 H new ATOM 0 HG1 THR A 33 -12.411 -4.019 -11.092 1.00 15.31 H new ATOM 0 HG21 THR A 33 -10.619 -5.606 -11.244 1.00 4.23 H new ATOM 0 HG22 THR A 33 -9.510 -5.718 -9.857 1.00 4.23 H new ATOM 0 HG23 THR A 33 -11.177 -6.325 -9.715 1.00 4.23 H new ATOM 521 N GLU A 34 -9.144 -5.241 -6.975 1.00 33.21 N ATOM 522 CA GLU A 34 -7.803 -5.519 -6.430 1.00 44.12 C ATOM 523 C GLU A 34 -6.752 -5.664 -7.551 1.00 13.34 C ATOM 524 O GLU A 34 -5.591 -5.307 -7.361 1.00 70.13 O ATOM 525 CB GLU A 34 -7.870 -6.799 -5.576 1.00 64.11 C ATOM 526 CG GLU A 34 -6.539 -7.250 -4.950 1.00 71.41 C ATOM 527 CD GLU A 34 -6.626 -8.644 -4.311 1.00 61.11 C ATOM 528 OE1 GLU A 34 -7.366 -8.798 -3.313 1.00 73.03 O ATOM 529 OE2 GLU A 34 -5.983 -9.593 -4.820 1.00 51.44 O ATOM 0 H GLU A 34 -9.812 -5.992 -6.803 1.00 33.21 H new ATOM 0 HA GLU A 34 -7.492 -4.677 -5.811 1.00 44.12 H new ATOM 0 HB2 GLU A 34 -8.593 -6.643 -4.775 1.00 64.11 H new ATOM 0 HB3 GLU A 34 -8.252 -7.609 -6.197 1.00 64.11 H new ATOM 0 HG2 GLU A 34 -5.765 -7.254 -5.717 1.00 71.41 H new ATOM 0 HG3 GLU A 34 -6.234 -6.527 -4.194 1.00 71.41 H new ATOM 536 N SER A 35 -7.184 -6.178 -8.720 1.00 53.25 N ATOM 537 CA SER A 35 -6.325 -6.308 -9.918 1.00 54.23 C ATOM 538 C SER A 35 -5.747 -4.938 -10.338 1.00 3.44 C ATOM 539 O SER A 35 -4.616 -4.850 -10.833 1.00 31.41 O ATOM 540 CB SER A 35 -7.145 -6.937 -11.063 1.00 73.42 C ATOM 541 OG SER A 35 -7.693 -8.186 -10.671 1.00 30.31 O ATOM 0 H SER A 35 -8.136 -6.515 -8.862 1.00 53.25 H new ATOM 0 HA SER A 35 -5.481 -6.956 -9.684 1.00 54.23 H new ATOM 0 HB2 SER A 35 -7.947 -6.260 -11.355 1.00 73.42 H new ATOM 0 HB3 SER A 35 -6.509 -7.074 -11.938 1.00 73.42 H new ATOM 0 HG SER A 35 -8.210 -8.564 -11.413 1.00 30.31 H new ATOM 547 N GLU A 36 -6.538 -3.871 -10.100 1.00 3.24 N ATOM 548 CA GLU A 36 -6.109 -2.489 -10.344 1.00 21.22 C ATOM 549 C GLU A 36 -5.015 -2.081 -9.341 1.00 54.11 C ATOM 550 O GLU A 36 -3.984 -1.552 -9.747 1.00 30.11 O ATOM 551 CB GLU A 36 -7.330 -1.533 -10.287 1.00 0.31 C ATOM 552 CG GLU A 36 -8.429 -1.862 -11.318 1.00 40.44 C ATOM 553 CD GLU A 36 -7.900 -2.030 -12.760 1.00 13.25 C ATOM 554 OE1 GLU A 36 -7.448 -1.032 -13.360 1.00 62.12 O ATOM 555 OE2 GLU A 36 -7.918 -3.162 -13.295 1.00 15.14 O ATOM 0 H GLU A 36 -7.487 -3.949 -9.735 1.00 3.24 H new ATOM 0 HA GLU A 36 -5.678 -2.418 -11.343 1.00 21.22 H new ATOM 0 HB2 GLU A 36 -7.761 -1.569 -9.287 1.00 0.31 H new ATOM 0 HB3 GLU A 36 -6.987 -0.511 -10.449 1.00 0.31 H new ATOM 0 HG2 GLU A 36 -8.934 -2.780 -11.017 1.00 40.44 H new ATOM 0 HG3 GLU A 36 -9.176 -1.068 -11.305 1.00 40.44 H new ATOM 562 N LEU A 37 -5.242 -2.403 -8.042 1.00 43.25 N ATOM 563 CA LEU A 37 -4.289 -2.114 -6.934 1.00 14.11 C ATOM 564 C LEU A 37 -2.893 -2.717 -7.204 1.00 12.34 C ATOM 565 O LEU A 37 -1.883 -2.059 -6.981 1.00 31.53 O ATOM 566 CB LEU A 37 -4.832 -2.675 -5.588 1.00 52.24 C ATOM 567 CG LEU A 37 -3.900 -2.519 -4.338 1.00 42.12 C ATOM 568 CD1 LEU A 37 -3.631 -1.039 -3.992 1.00 63.31 C ATOM 569 CD2 LEU A 37 -4.466 -3.284 -3.130 1.00 45.12 C ATOM 0 H LEU A 37 -6.093 -2.872 -7.730 1.00 43.25 H new ATOM 0 HA LEU A 37 -4.192 -1.030 -6.873 1.00 14.11 H new ATOM 0 HB2 LEU A 37 -5.780 -2.182 -5.371 1.00 52.24 H new ATOM 0 HB3 LEU A 37 -5.048 -3.735 -5.722 1.00 52.24 H new ATOM 0 HG LEU A 37 -2.938 -2.961 -4.597 1.00 42.12 H new ATOM 0 HD11 LEU A 37 -2.981 -0.982 -3.119 1.00 63.31 H new ATOM 0 HD12 LEU A 37 -3.147 -0.550 -4.838 1.00 63.31 H new ATOM 0 HD13 LEU A 37 -4.575 -0.539 -3.775 1.00 63.31 H new ATOM 0 HD21 LEU A 37 -3.800 -3.159 -2.276 1.00 45.12 H new ATOM 0 HD22 LEU A 37 -5.452 -2.893 -2.881 1.00 45.12 H new ATOM 0 HD23 LEU A 37 -4.547 -4.343 -3.375 1.00 45.12 H new ATOM 581 N GLN A 38 -2.879 -3.972 -7.692 1.00 32.24 N ATOM 582 CA GLN A 38 -1.639 -4.742 -7.964 1.00 31.42 C ATOM 583 C GLN A 38 -0.715 -4.005 -8.962 1.00 73.53 C ATOM 584 O GLN A 38 0.513 -4.075 -8.855 1.00 64.21 O ATOM 585 CB GLN A 38 -2.018 -6.152 -8.492 1.00 13.41 C ATOM 586 CG GLN A 38 -2.803 -7.009 -7.472 1.00 42.22 C ATOM 587 CD GLN A 38 -3.400 -8.285 -8.069 1.00 75.21 C ATOM 588 OE1 GLN A 38 -4.508 -8.754 -7.507 1.00 44.25 O flip ATOM 589 NE2 GLN A 38 -2.865 -8.853 -9.022 1.00 74.44 N flip ATOM 0 H GLN A 38 -3.731 -4.488 -7.912 1.00 32.24 H new ATOM 0 HA GLN A 38 -1.080 -4.843 -7.034 1.00 31.42 H new ATOM 0 HB2 GLN A 38 -2.616 -6.043 -9.397 1.00 13.41 H new ATOM 0 HB3 GLN A 38 -1.108 -6.681 -8.773 1.00 13.41 H new ATOM 0 HG2 GLN A 38 -2.139 -7.279 -6.651 1.00 42.22 H new ATOM 0 HG3 GLN A 38 -3.606 -6.407 -7.047 1.00 42.22 H new ATOM 0 HE21 GLN A 38 -2.014 -8.468 -9.433 1.00 74.44 H new ATOM 0 HE22 GLN A 38 -3.273 -9.708 -9.401 1.00 74.44 H new ATOM 598 N LYS A 39 -1.336 -3.292 -9.920 1.00 31.55 N ATOM 599 CA LYS A 39 -0.623 -2.447 -10.900 1.00 1.30 C ATOM 600 C LYS A 39 -0.250 -1.089 -10.262 1.00 63.55 C ATOM 601 O LYS A 39 0.871 -0.602 -10.439 1.00 52.54 O ATOM 602 CB LYS A 39 -1.506 -2.226 -12.157 1.00 15.24 C ATOM 603 CG LYS A 39 -1.911 -3.520 -12.898 1.00 70.20 C ATOM 604 CD LYS A 39 -2.863 -3.256 -14.093 1.00 25.52 C ATOM 605 CE LYS A 39 -4.197 -2.612 -13.664 1.00 23.35 C ATOM 606 NZ LYS A 39 -5.135 -2.453 -14.809 1.00 33.10 N ATOM 0 H LYS A 39 -2.349 -3.285 -10.038 1.00 31.55 H new ATOM 0 HA LYS A 39 0.293 -2.955 -11.201 1.00 1.30 H new ATOM 0 HB2 LYS A 39 -2.411 -1.695 -11.860 1.00 15.24 H new ATOM 0 HB3 LYS A 39 -0.970 -1.579 -12.851 1.00 15.24 H new ATOM 0 HG2 LYS A 39 -1.014 -4.023 -13.259 1.00 70.20 H new ATOM 0 HG3 LYS A 39 -2.396 -4.198 -12.196 1.00 70.20 H new ATOM 0 HD2 LYS A 39 -2.365 -2.605 -14.811 1.00 25.52 H new ATOM 0 HD3 LYS A 39 -3.067 -4.197 -14.604 1.00 25.52 H new ATOM 0 HE2 LYS A 39 -4.665 -3.226 -12.895 1.00 23.35 H new ATOM 0 HE3 LYS A 39 -4.002 -1.637 -13.218 1.00 23.35 H new ATOM 0 HZ1 LYS A 39 -5.927 -1.840 -14.527 1.00 33.10 H new ATOM 0 HZ2 LYS A 39 -4.633 -2.022 -15.612 1.00 33.10 H new ATOM 0 HZ3 LYS A 39 -5.501 -3.385 -15.090 1.00 33.10 H new ATOM 620 N VAL A 40 -1.216 -0.517 -9.494 1.00 51.41 N ATOM 621 CA VAL A 40 -1.083 0.798 -8.821 1.00 25.21 C ATOM 622 C VAL A 40 0.155 0.837 -7.905 1.00 63.11 C ATOM 623 O VAL A 40 0.818 1.857 -7.827 1.00 31.24 O ATOM 624 CB VAL A 40 -2.403 1.157 -8.005 1.00 12.21 C ATOM 625 CG1 VAL A 40 -2.191 2.316 -7.004 1.00 1.22 C ATOM 626 CG2 VAL A 40 -3.573 1.496 -8.967 1.00 64.02 C ATOM 0 H VAL A 40 -2.117 -0.963 -9.325 1.00 51.41 H new ATOM 0 HA VAL A 40 -0.947 1.552 -9.596 1.00 25.21 H new ATOM 0 HB VAL A 40 -2.656 0.269 -7.426 1.00 12.21 H new ATOM 0 HG11 VAL A 40 -3.124 2.517 -6.477 1.00 1.22 H new ATOM 0 HG12 VAL A 40 -1.420 2.039 -6.285 1.00 1.22 H new ATOM 0 HG13 VAL A 40 -1.880 3.210 -7.544 1.00 1.22 H new ATOM 0 HG21 VAL A 40 -4.463 1.738 -8.386 1.00 64.02 H new ATOM 0 HG22 VAL A 40 -3.300 2.351 -9.585 1.00 64.02 H new ATOM 0 HG23 VAL A 40 -3.779 0.637 -9.606 1.00 64.02 H new ATOM 636 N LEU A 41 0.467 -0.303 -7.268 1.00 60.23 N ATOM 637 CA LEU A 41 1.601 -0.423 -6.328 1.00 74.23 C ATOM 638 C LEU A 41 2.965 -0.213 -7.018 1.00 34.20 C ATOM 639 O LEU A 41 3.924 0.181 -6.361 1.00 14.54 O ATOM 640 CB LEU A 41 1.547 -1.797 -5.601 1.00 75.33 C ATOM 641 CG LEU A 41 0.320 -1.986 -4.658 1.00 23.11 C ATOM 642 CD1 LEU A 41 0.267 -3.407 -4.067 1.00 64.10 C ATOM 643 CD2 LEU A 41 0.294 -0.905 -3.554 1.00 65.14 C ATOM 0 H LEU A 41 -0.058 -1.169 -7.388 1.00 60.23 H new ATOM 0 HA LEU A 41 1.503 0.374 -5.591 1.00 74.23 H new ATOM 0 HB2 LEU A 41 1.538 -2.589 -6.350 1.00 75.33 H new ATOM 0 HB3 LEU A 41 2.459 -1.920 -5.017 1.00 75.33 H new ATOM 0 HG LEU A 41 -0.579 -1.861 -5.261 1.00 23.11 H new ATOM 0 HD11 LEU A 41 -0.602 -3.498 -3.416 1.00 64.10 H new ATOM 0 HD12 LEU A 41 0.193 -4.135 -4.875 1.00 64.10 H new ATOM 0 HD13 LEU A 41 1.173 -3.596 -3.491 1.00 64.10 H new ATOM 0 HD21 LEU A 41 -0.572 -1.062 -2.912 1.00 65.14 H new ATOM 0 HD22 LEU A 41 1.204 -0.971 -2.958 1.00 65.14 H new ATOM 0 HD23 LEU A 41 0.232 0.082 -4.013 1.00 65.14 H new ATOM 655 N ASN A 42 3.025 -0.465 -8.342 1.00 45.41 N ATOM 656 CA ASN A 42 4.254 -0.291 -9.153 1.00 60.15 C ATOM 657 C ASN A 42 4.499 1.199 -9.470 1.00 41.22 C ATOM 658 O ASN A 42 5.632 1.686 -9.368 1.00 23.40 O ATOM 659 CB ASN A 42 4.162 -1.125 -10.464 1.00 13.12 C ATOM 660 CG ASN A 42 3.966 -2.625 -10.217 1.00 3.21 C ATOM 661 OD1 ASN A 42 4.403 -3.174 -9.203 1.00 53.50 O ATOM 662 ND2 ASN A 42 3.321 -3.301 -11.151 1.00 64.42 N ATOM 0 H ASN A 42 2.225 -0.795 -8.881 1.00 45.41 H new ATOM 0 HA ASN A 42 5.101 -0.654 -8.571 1.00 60.15 H new ATOM 0 HB2 ASN A 42 3.334 -0.752 -11.066 1.00 13.12 H new ATOM 0 HB3 ASN A 42 5.072 -0.976 -11.046 1.00 13.12 H new ATOM 0 HD21 ASN A 42 3.173 -4.305 -11.044 1.00 64.42 H new ATOM 0 HD22 ASN A 42 2.971 -2.819 -11.979 1.00 64.42 H new ATOM 669 N GLU A 43 3.421 1.912 -9.856 1.00 42.35 N ATOM 670 CA GLU A 43 3.467 3.370 -10.112 1.00 53.24 C ATOM 671 C GLU A 43 3.696 4.132 -8.796 1.00 21.25 C ATOM 672 O GLU A 43 4.508 5.048 -8.736 1.00 33.11 O ATOM 673 CB GLU A 43 2.160 3.862 -10.805 1.00 51.20 C ATOM 674 CG GLU A 43 2.040 3.515 -12.306 1.00 11.21 C ATOM 675 CD GLU A 43 1.952 2.010 -12.612 1.00 44.02 C ATOM 676 OE1 GLU A 43 0.847 1.445 -12.538 1.00 63.34 O ATOM 677 OE2 GLU A 43 2.994 1.386 -12.911 1.00 73.23 O ATOM 0 H GLU A 43 2.499 1.499 -9.999 1.00 42.35 H new ATOM 0 HA GLU A 43 4.299 3.570 -10.787 1.00 53.24 H new ATOM 0 HB2 GLU A 43 1.306 3.434 -10.280 1.00 51.20 H new ATOM 0 HB3 GLU A 43 2.093 4.944 -10.692 1.00 51.20 H new ATOM 0 HG2 GLU A 43 1.154 4.006 -12.709 1.00 11.21 H new ATOM 0 HG3 GLU A 43 2.901 3.929 -12.831 1.00 11.21 H new ATOM 684 N LEU A 44 2.973 3.706 -7.754 1.00 1.12 N ATOM 685 CA LEU A 44 3.068 4.257 -6.387 1.00 33.25 C ATOM 686 C LEU A 44 4.500 4.130 -5.857 1.00 43.14 C ATOM 687 O LEU A 44 5.029 5.068 -5.270 1.00 14.44 O ATOM 688 CB LEU A 44 2.045 3.529 -5.462 1.00 22.31 C ATOM 689 CG LEU A 44 2.165 3.775 -3.907 1.00 0.32 C ATOM 690 CD1 LEU A 44 0.799 4.106 -3.276 1.00 24.15 C ATOM 691 CD2 LEU A 44 2.817 2.564 -3.180 1.00 64.20 C ATOM 0 H LEU A 44 2.290 2.953 -7.834 1.00 1.12 H new ATOM 0 HA LEU A 44 2.821 5.319 -6.402 1.00 33.25 H new ATOM 0 HB2 LEU A 44 1.042 3.823 -5.773 1.00 22.31 H new ATOM 0 HB3 LEU A 44 2.133 2.457 -5.641 1.00 22.31 H new ATOM 0 HG LEU A 44 2.817 4.639 -3.777 1.00 0.32 H new ATOM 0 HD11 LEU A 44 0.923 4.269 -2.205 1.00 24.15 H new ATOM 0 HD12 LEU A 44 0.395 5.008 -3.736 1.00 24.15 H new ATOM 0 HD13 LEU A 44 0.112 3.276 -3.440 1.00 24.15 H new ATOM 0 HD21 LEU A 44 2.882 2.773 -2.112 1.00 64.20 H new ATOM 0 HD22 LEU A 44 2.209 1.673 -3.340 1.00 64.20 H new ATOM 0 HD23 LEU A 44 3.818 2.396 -3.578 1.00 64.20 H new ATOM 703 N LYS A 45 5.108 2.962 -6.118 1.00 15.11 N ATOM 704 CA LYS A 45 6.506 2.668 -5.763 1.00 70.21 C ATOM 705 C LYS A 45 7.476 3.643 -6.470 1.00 45.30 C ATOM 706 O LYS A 45 8.447 4.102 -5.872 1.00 43.32 O ATOM 707 CB LYS A 45 6.832 1.204 -6.151 1.00 34.43 C ATOM 708 CG LYS A 45 8.227 0.718 -5.740 1.00 73.21 C ATOM 709 CD LYS A 45 8.481 -0.762 -6.093 1.00 72.42 C ATOM 710 CE LYS A 45 8.508 -1.034 -7.607 1.00 42.31 C ATOM 711 NZ LYS A 45 8.829 -2.461 -7.899 1.00 74.45 N ATOM 0 H LYS A 45 4.638 2.187 -6.586 1.00 15.11 H new ATOM 0 HA LYS A 45 6.633 2.798 -4.688 1.00 70.21 H new ATOM 0 HB2 LYS A 45 6.088 0.550 -5.697 1.00 34.43 H new ATOM 0 HB3 LYS A 45 6.731 1.100 -7.231 1.00 34.43 H new ATOM 0 HG2 LYS A 45 8.979 1.336 -6.230 1.00 73.21 H new ATOM 0 HG3 LYS A 45 8.351 0.856 -4.666 1.00 73.21 H new ATOM 0 HD2 LYS A 45 9.431 -1.073 -5.659 1.00 72.42 H new ATOM 0 HD3 LYS A 45 7.705 -1.375 -5.635 1.00 72.42 H new ATOM 0 HE2 LYS A 45 7.540 -0.781 -8.041 1.00 42.31 H new ATOM 0 HE3 LYS A 45 9.248 -0.389 -8.081 1.00 42.31 H new ATOM 0 HZ1 LYS A 45 9.072 -2.563 -8.905 1.00 74.45 H new ATOM 0 HZ2 LYS A 45 9.635 -2.762 -7.315 1.00 74.45 H new ATOM 0 HZ3 LYS A 45 8.003 -3.054 -7.681 1.00 74.45 H new ATOM 725 N ASP A 46 7.173 3.948 -7.746 1.00 52.02 N ATOM 726 CA ASP A 46 7.957 4.891 -8.575 1.00 55.15 C ATOM 727 C ASP A 46 7.856 6.333 -8.018 1.00 23.33 C ATOM 728 O ASP A 46 8.853 7.069 -8.003 1.00 52.22 O ATOM 729 CB ASP A 46 7.465 4.832 -10.051 1.00 12.41 C ATOM 730 CG ASP A 46 8.162 5.847 -10.979 1.00 34.20 C ATOM 731 OD1 ASP A 46 9.305 5.589 -11.410 1.00 20.35 O ATOM 732 OD2 ASP A 46 7.568 6.903 -11.281 1.00 41.14 O ATOM 0 H ASP A 46 6.374 3.546 -8.236 1.00 52.02 H new ATOM 0 HA ASP A 46 9.006 4.596 -8.542 1.00 55.15 H new ATOM 0 HB2 ASP A 46 7.629 3.827 -10.439 1.00 12.41 H new ATOM 0 HB3 ASP A 46 6.390 5.011 -10.074 1.00 12.41 H new ATOM 737 N TYR A 47 6.643 6.712 -7.557 1.00 51.15 N ATOM 738 CA TYR A 47 6.378 8.048 -6.980 1.00 45.34 C ATOM 739 C TYR A 47 7.088 8.215 -5.614 1.00 22.31 C ATOM 740 O TYR A 47 7.643 9.279 -5.332 1.00 12.21 O ATOM 741 CB TYR A 47 4.853 8.298 -6.811 1.00 74.43 C ATOM 742 CG TYR A 47 4.019 8.288 -8.099 1.00 50.54 C ATOM 743 CD1 TYR A 47 4.434 8.996 -9.221 1.00 15.05 C ATOM 744 CD2 TYR A 47 2.818 7.576 -8.191 1.00 11.30 C ATOM 745 CE1 TYR A 47 3.690 8.998 -10.384 1.00 53.52 C ATOM 746 CE2 TYR A 47 2.076 7.576 -9.353 1.00 3.50 C ATOM 747 CZ TYR A 47 2.514 8.287 -10.446 1.00 20.25 C ATOM 748 OH TYR A 47 1.782 8.283 -11.612 1.00 72.41 O ATOM 0 H TYR A 47 5.825 6.104 -7.574 1.00 51.15 H new ATOM 0 HA TYR A 47 6.777 8.785 -7.677 1.00 45.34 H new ATOM 0 HB2 TYR A 47 4.454 7.539 -6.138 1.00 74.43 H new ATOM 0 HB3 TYR A 47 4.716 9.262 -6.321 1.00 74.43 H new ATOM 0 HD1 TYR A 47 5.357 9.556 -9.182 1.00 15.05 H new ATOM 0 HD2 TYR A 47 2.466 7.017 -7.337 1.00 11.30 H new ATOM 0 HE1 TYR A 47 4.031 9.557 -11.243 1.00 53.52 H new ATOM 0 HE2 TYR A 47 1.152 7.019 -9.405 1.00 3.50 H new ATOM 0 HH TYR A 47 0.979 7.733 -11.493 1.00 72.41 H new ATOM 758 N ILE A 48 7.057 7.142 -4.783 1.00 13.55 N ATOM 759 CA ILE A 48 7.746 7.100 -3.469 1.00 60.31 C ATOM 760 C ILE A 48 9.267 7.242 -3.676 1.00 13.05 C ATOM 761 O ILE A 48 9.919 8.043 -3.012 1.00 32.23 O ATOM 762 CB ILE A 48 7.451 5.750 -2.683 1.00 22.13 C ATOM 763 CG1 ILE A 48 5.950 5.629 -2.263 1.00 4.54 C ATOM 764 CG2 ILE A 48 8.374 5.597 -1.448 1.00 50.34 C ATOM 765 CD1 ILE A 48 5.596 4.343 -1.522 1.00 33.44 C ATOM 0 H ILE A 48 6.554 6.283 -5.005 1.00 13.55 H new ATOM 0 HA ILE A 48 7.363 7.928 -2.872 1.00 60.31 H new ATOM 0 HB ILE A 48 7.667 4.936 -3.374 1.00 22.13 H new ATOM 0 HG12 ILE A 48 5.694 6.479 -1.630 1.00 4.54 H new ATOM 0 HG13 ILE A 48 5.330 5.699 -3.157 1.00 4.54 H new ATOM 0 HG21 ILE A 48 8.144 4.663 -0.935 1.00 50.34 H new ATOM 0 HG22 ILE A 48 9.415 5.587 -1.771 1.00 50.34 H new ATOM 0 HG23 ILE A 48 8.213 6.433 -0.768 1.00 50.34 H new ATOM 0 HD11 ILE A 48 4.535 4.348 -1.271 1.00 33.44 H new ATOM 0 HD12 ILE A 48 5.815 3.485 -2.158 1.00 33.44 H new ATOM 0 HD13 ILE A 48 6.185 4.276 -0.607 1.00 33.44 H new ATOM 777 N LYS A 49 9.780 6.453 -4.631 1.00 64.05 N ATOM 778 CA LYS A 49 11.207 6.390 -5.006 1.00 52.23 C ATOM 779 C LYS A 49 11.758 7.787 -5.349 1.00 60.11 C ATOM 780 O LYS A 49 12.745 8.246 -4.762 1.00 74.13 O ATOM 781 CB LYS A 49 11.336 5.452 -6.232 1.00 4.14 C ATOM 782 CG LYS A 49 12.751 5.310 -6.832 1.00 31.13 C ATOM 783 CD LYS A 49 12.727 4.559 -8.188 1.00 14.44 C ATOM 784 CE LYS A 49 11.951 5.329 -9.275 1.00 4.12 C ATOM 785 NZ LYS A 49 11.874 4.567 -10.550 1.00 5.04 N ATOM 0 H LYS A 49 9.199 5.821 -5.182 1.00 64.05 H new ATOM 0 HA LYS A 49 11.788 6.010 -4.166 1.00 52.23 H new ATOM 0 HB2 LYS A 49 10.984 4.461 -5.945 1.00 4.14 H new ATOM 0 HB3 LYS A 49 10.667 5.814 -7.013 1.00 4.14 H new ATOM 0 HG2 LYS A 49 13.188 6.299 -6.972 1.00 31.13 H new ATOM 0 HG3 LYS A 49 13.391 4.775 -6.131 1.00 31.13 H new ATOM 0 HD2 LYS A 49 13.750 4.392 -8.526 1.00 14.44 H new ATOM 0 HD3 LYS A 49 12.273 3.578 -8.048 1.00 14.44 H new ATOM 0 HE2 LYS A 49 10.943 5.542 -8.919 1.00 4.12 H new ATOM 0 HE3 LYS A 49 12.435 6.289 -9.455 1.00 4.12 H new ATOM 0 HZ1 LYS A 49 10.988 4.801 -11.041 1.00 5.04 H new ATOM 0 HZ2 LYS A 49 12.682 4.819 -11.155 1.00 5.04 H new ATOM 0 HZ3 LYS A 49 11.899 3.547 -10.347 1.00 5.04 H new ATOM 799 N LYS A 50 11.066 8.446 -6.292 1.00 73.22 N ATOM 800 CA LYS A 50 11.446 9.763 -6.832 1.00 30.50 C ATOM 801 C LYS A 50 11.369 10.860 -5.747 1.00 52.22 C ATOM 802 O LYS A 50 12.274 11.695 -5.621 1.00 72.52 O ATOM 803 CB LYS A 50 10.525 10.092 -8.041 1.00 23.50 C ATOM 804 CG LYS A 50 10.826 11.429 -8.760 1.00 24.33 C ATOM 805 CD LYS A 50 9.943 11.643 -10.017 1.00 30.13 C ATOM 806 CE LYS A 50 10.182 10.579 -11.113 1.00 61.42 C ATOM 807 NZ LYS A 50 9.331 10.807 -12.316 1.00 52.32 N ATOM 0 H LYS A 50 10.213 8.073 -6.708 1.00 73.22 H new ATOM 0 HA LYS A 50 12.483 9.731 -7.168 1.00 30.50 H new ATOM 0 HB2 LYS A 50 10.604 9.283 -8.767 1.00 23.50 H new ATOM 0 HB3 LYS A 50 9.492 10.110 -7.695 1.00 23.50 H new ATOM 0 HG2 LYS A 50 10.669 12.254 -8.065 1.00 24.33 H new ATOM 0 HG3 LYS A 50 11.876 11.453 -9.050 1.00 24.33 H new ATOM 0 HD2 LYS A 50 8.893 11.625 -9.724 1.00 30.13 H new ATOM 0 HD3 LYS A 50 10.142 12.632 -10.429 1.00 30.13 H new ATOM 0 HE2 LYS A 50 11.232 10.591 -11.406 1.00 61.42 H new ATOM 0 HE3 LYS A 50 9.976 9.589 -10.707 1.00 61.42 H new ATOM 0 HZ1 LYS A 50 9.525 10.070 -13.023 1.00 52.32 H new ATOM 0 HZ2 LYS A 50 8.328 10.770 -12.044 1.00 52.32 H new ATOM 0 HZ3 LYS A 50 9.545 11.741 -12.721 1.00 52.32 H new ATOM 821 N GLN A 51 10.295 10.819 -4.944 1.00 61.12 N ATOM 822 CA GLN A 51 10.012 11.842 -3.911 1.00 71.25 C ATOM 823 C GLN A 51 10.533 11.414 -2.521 1.00 54.42 C ATOM 824 O GLN A 51 10.186 12.046 -1.521 1.00 33.54 O ATOM 825 CB GLN A 51 8.482 12.100 -3.854 1.00 21.44 C ATOM 826 CG GLN A 51 7.861 12.562 -5.180 1.00 53.21 C ATOM 827 CD GLN A 51 6.363 12.807 -5.053 1.00 54.24 C ATOM 828 OE1 GLN A 51 5.939 13.909 -4.727 1.00 1.13 O ATOM 829 NE2 GLN A 51 5.553 11.779 -5.282 1.00 24.05 N ATOM 0 H GLN A 51 9.595 10.078 -4.988 1.00 61.12 H new ATOM 0 HA GLN A 51 10.535 12.759 -4.184 1.00 71.25 H new ATOM 0 HB2 GLN A 51 7.984 11.184 -3.535 1.00 21.44 H new ATOM 0 HB3 GLN A 51 8.282 12.854 -3.092 1.00 21.44 H new ATOM 0 HG2 GLN A 51 8.351 13.478 -5.511 1.00 53.21 H new ATOM 0 HG3 GLN A 51 8.042 11.809 -5.947 1.00 53.21 H new ATOM 0 HE21 GLN A 51 5.940 10.875 -5.552 1.00 24.05 H new ATOM 0 HE22 GLN A 51 4.544 11.894 -5.188 1.00 24.05 H new ATOM 838 N GLY A 52 11.366 10.358 -2.471 1.00 2.22 N ATOM 839 CA GLY A 52 11.858 9.793 -1.201 1.00 1.35 C ATOM 840 C GLY A 52 12.940 10.639 -0.536 1.00 42.11 C ATOM 841 O GLY A 52 14.114 10.251 -0.507 1.00 4.55 O ATOM 0 H GLY A 52 11.714 9.877 -3.300 1.00 2.22 H new ATOM 0 HA2 GLY A 52 11.020 9.683 -0.513 1.00 1.35 H new ATOM 0 HA3 GLY A 52 12.252 8.794 -1.386 1.00 1.35 H new ATOM 845 N CYS A 53 12.526 11.794 0.007 1.00 62.31 N ATOM 846 CA CYS A 53 13.421 12.756 0.660 1.00 61.31 C ATOM 847 C CYS A 53 13.708 12.325 2.110 1.00 32.25 C ATOM 848 O CYS A 53 14.839 11.949 2.440 1.00 64.01 O ATOM 849 CB CYS A 53 12.799 14.168 0.611 1.00 55.14 C ATOM 850 SG CYS A 53 13.786 15.441 1.418 1.00 2.21 S ATOM 0 H CYS A 53 11.549 12.088 0.004 1.00 62.31 H new ATOM 0 HA CYS A 53 14.371 12.780 0.126 1.00 61.31 H new ATOM 0 HB2 CYS A 53 12.646 14.449 -0.431 1.00 55.14 H new ATOM 0 HB3 CYS A 53 11.815 14.136 1.080 1.00 55.14 H new ATOM 0 HG CYS A 53 13.180 16.587 1.320 1.00 2.21 H new ATOM 856 N LYS A 54 12.675 12.375 2.974 1.00 73.44 N ATOM 857 CA LYS A 54 12.784 11.925 4.379 1.00 72.13 C ATOM 858 C LYS A 54 11.913 10.681 4.611 1.00 54.23 C ATOM 859 O LYS A 54 12.430 9.585 4.855 1.00 23.22 O ATOM 860 CB LYS A 54 12.380 13.049 5.374 1.00 75.14 C ATOM 861 CG LYS A 54 13.293 14.290 5.358 1.00 21.55 C ATOM 862 CD LYS A 54 12.967 15.286 6.500 1.00 1.02 C ATOM 863 CE LYS A 54 13.899 16.513 6.507 1.00 20.40 C ATOM 864 NZ LYS A 54 15.328 16.137 6.679 1.00 41.22 N ATOM 0 H LYS A 54 11.750 12.724 2.723 1.00 73.44 H new ATOM 0 HA LYS A 54 13.828 11.673 4.563 1.00 72.13 H new ATOM 0 HB2 LYS A 54 11.361 13.363 5.150 1.00 75.14 H new ATOM 0 HB3 LYS A 54 12.372 12.635 6.382 1.00 75.14 H new ATOM 0 HG2 LYS A 54 14.332 13.973 5.444 1.00 21.55 H new ATOM 0 HG3 LYS A 54 13.193 14.798 4.399 1.00 21.55 H new ATOM 0 HD2 LYS A 54 11.934 15.620 6.400 1.00 1.02 H new ATOM 0 HD3 LYS A 54 13.044 14.771 7.458 1.00 1.02 H new ATOM 0 HE2 LYS A 54 13.780 17.062 5.573 1.00 20.40 H new ATOM 0 HE3 LYS A 54 13.604 17.186 7.312 1.00 20.40 H new ATOM 0 HZ1 LYS A 54 15.899 16.996 6.813 1.00 41.22 H new ATOM 0 HZ2 LYS A 54 15.427 15.521 7.511 1.00 41.22 H new ATOM 0 HZ3 LYS A 54 15.658 15.631 5.833 1.00 41.22 H new ATOM 878 N ARG A 55 10.585 10.854 4.522 1.00 54.53 N ATOM 879 CA ARG A 55 9.619 9.804 4.901 1.00 70.35 C ATOM 880 C ARG A 55 8.578 9.595 3.800 1.00 51.42 C ATOM 881 O ARG A 55 8.238 10.522 3.077 1.00 14.10 O ATOM 882 CB ARG A 55 8.919 10.192 6.230 1.00 74.41 C ATOM 883 CG ARG A 55 8.037 9.081 6.848 1.00 1.03 C ATOM 884 CD ARG A 55 7.364 9.511 8.158 1.00 51.43 C ATOM 885 NE ARG A 55 8.337 9.966 9.173 1.00 72.33 N ATOM 886 CZ ARG A 55 8.165 9.885 10.503 1.00 24.03 C ATOM 887 NH1 ARG A 55 7.053 9.370 11.025 1.00 43.44 N ATOM 888 NH2 ARG A 55 9.113 10.334 11.310 1.00 3.41 N ATOM 0 H ARG A 55 10.151 11.715 4.189 1.00 54.53 H new ATOM 0 HA ARG A 55 10.161 8.868 5.037 1.00 70.35 H new ATOM 0 HB2 ARG A 55 9.681 10.477 6.956 1.00 74.41 H new ATOM 0 HB3 ARG A 55 8.300 11.072 6.055 1.00 74.41 H new ATOM 0 HG2 ARG A 55 7.270 8.792 6.130 1.00 1.03 H new ATOM 0 HG3 ARG A 55 8.650 8.199 7.033 1.00 1.03 H new ATOM 0 HD2 ARG A 55 6.656 10.314 7.952 1.00 51.43 H new ATOM 0 HD3 ARG A 55 6.790 8.676 8.559 1.00 51.43 H new ATOM 0 HE ARG A 55 9.209 10.374 8.837 1.00 72.33 H new ATOM 0 HH11 ARG A 55 6.313 9.028 10.412 1.00 43.44 H new ATOM 0 HH12 ARG A 55 6.942 9.317 12.038 1.00 43.44 H new ATOM 0 HH21 ARG A 55 9.965 10.737 10.921 1.00 3.41 H new ATOM 0 HH22 ARG A 55 8.991 10.277 12.321 1.00 3.41 H new ATOM 902 N SER A 56 8.107 8.357 3.683 1.00 2.03 N ATOM 903 CA SER A 56 6.946 7.996 2.874 1.00 53.34 C ATOM 904 C SER A 56 6.110 6.988 3.677 1.00 33.44 C ATOM 905 O SER A 56 6.642 5.977 4.146 1.00 64.45 O ATOM 906 CB SER A 56 7.403 7.416 1.516 1.00 21.22 C ATOM 907 OG SER A 56 8.355 6.372 1.685 1.00 64.01 O ATOM 0 H SER A 56 8.530 7.560 4.158 1.00 2.03 H new ATOM 0 HA SER A 56 6.336 8.872 2.653 1.00 53.34 H new ATOM 0 HB2 SER A 56 6.538 7.036 0.973 1.00 21.22 H new ATOM 0 HB3 SER A 56 7.837 8.210 0.908 1.00 21.22 H new ATOM 0 HG SER A 56 8.105 5.823 2.457 1.00 64.01 H new ATOM 913 N ARG A 57 4.828 7.293 3.868 1.00 22.40 N ATOM 914 CA ARG A 57 3.877 6.421 4.571 1.00 73.55 C ATOM 915 C ARG A 57 2.770 6.036 3.588 1.00 54.43 C ATOM 916 O ARG A 57 2.087 6.916 3.084 1.00 64.14 O ATOM 917 CB ARG A 57 3.260 7.168 5.788 1.00 11.22 C ATOM 918 CG ARG A 57 2.227 6.332 6.588 1.00 21.33 C ATOM 919 CD ARG A 57 1.334 7.187 7.505 1.00 5.30 C ATOM 920 NE ARG A 57 2.087 7.894 8.550 1.00 30.34 N ATOM 921 CZ ARG A 57 1.641 8.959 9.237 1.00 71.33 C ATOM 922 NH1 ARG A 57 0.427 9.460 9.011 1.00 71.13 N ATOM 923 NH2 ARG A 57 2.414 9.504 10.169 1.00 22.15 N ATOM 0 H ARG A 57 4.411 8.163 3.536 1.00 22.40 H new ATOM 0 HA ARG A 57 4.389 5.531 4.938 1.00 73.55 H new ATOM 0 HB2 ARG A 57 4.063 7.472 6.459 1.00 11.22 H new ATOM 0 HB3 ARG A 57 2.778 8.080 5.435 1.00 11.22 H new ATOM 0 HG2 ARG A 57 1.597 5.780 5.890 1.00 21.33 H new ATOM 0 HG3 ARG A 57 2.756 5.594 7.192 1.00 21.33 H new ATOM 0 HD2 ARG A 57 0.794 7.915 6.900 1.00 5.30 H new ATOM 0 HD3 ARG A 57 0.587 6.546 7.974 1.00 5.30 H new ATOM 0 HE ARG A 57 3.021 7.549 8.771 1.00 30.34 H new ATOM 0 HH11 ARG A 57 -0.178 9.034 8.308 1.00 71.13 H new ATOM 0 HH12 ARG A 57 0.102 10.269 9.541 1.00 71.13 H new ATOM 0 HH21 ARG A 57 3.337 9.114 10.358 1.00 22.15 H new ATOM 0 HH22 ARG A 57 2.084 10.313 10.696 1.00 22.15 H new ATOM 937 N THR A 58 2.598 4.738 3.319 1.00 33.23 N ATOM 938 CA THR A 58 1.529 4.233 2.435 1.00 62.44 C ATOM 939 C THR A 58 0.515 3.453 3.276 1.00 73.10 C ATOM 940 O THR A 58 0.904 2.759 4.211 1.00 70.32 O ATOM 941 CB THR A 58 2.099 3.299 1.320 1.00 51.34 C ATOM 942 OG1 THR A 58 3.204 3.939 0.670 1.00 60.13 O ATOM 943 CG2 THR A 58 1.040 2.930 0.260 1.00 41.24 C ATOM 0 H THR A 58 3.192 4.004 3.705 1.00 33.23 H new ATOM 0 HA THR A 58 1.053 5.086 1.951 1.00 62.44 H new ATOM 0 HB THR A 58 2.419 2.378 1.808 1.00 51.34 H new ATOM 0 HG1 THR A 58 3.969 3.970 1.281 1.00 60.13 H new ATOM 0 HG21 THR A 58 1.488 2.280 -0.491 1.00 41.24 H new ATOM 0 HG22 THR A 58 0.210 2.411 0.740 1.00 41.24 H new ATOM 0 HG23 THR A 58 0.672 3.838 -0.219 1.00 41.24 H new ATOM 951 N SER A 59 -0.775 3.555 2.936 1.00 11.51 N ATOM 952 CA SER A 59 -1.840 2.876 3.674 1.00 60.03 C ATOM 953 C SER A 59 -2.935 2.376 2.702 1.00 23.34 C ATOM 954 O SER A 59 -3.541 3.164 1.977 1.00 1.34 O ATOM 955 CB SER A 59 -2.396 3.834 4.755 1.00 41.20 C ATOM 956 OG SER A 59 -2.843 5.057 4.200 1.00 11.51 O ATOM 0 H SER A 59 -1.106 4.108 2.146 1.00 11.51 H new ATOM 0 HA SER A 59 -1.446 1.993 4.178 1.00 60.03 H new ATOM 0 HB2 SER A 59 -3.221 3.350 5.278 1.00 41.20 H new ATOM 0 HB3 SER A 59 -1.622 4.033 5.496 1.00 41.20 H new ATOM 0 HG SER A 59 -3.821 5.048 4.133 1.00 11.51 H new ATOM 962 N ILE A 60 -3.172 1.047 2.710 1.00 24.12 N ATOM 963 CA ILE A 60 -4.107 0.345 1.796 1.00 4.44 C ATOM 964 C ILE A 60 -5.318 -0.185 2.594 1.00 34.22 C ATOM 965 O ILE A 60 -5.122 -0.943 3.549 1.00 41.25 O ATOM 966 CB ILE A 60 -3.369 -0.859 1.097 1.00 43.24 C ATOM 967 CG1 ILE A 60 -2.156 -0.358 0.254 1.00 63.55 C ATOM 968 CG2 ILE A 60 -4.339 -1.708 0.245 1.00 34.41 C ATOM 969 CD1 ILE A 60 -1.363 -1.471 -0.417 1.00 45.44 C ATOM 0 H ILE A 60 -2.710 0.416 3.365 1.00 24.12 H new ATOM 0 HA ILE A 60 -4.454 1.045 1.036 1.00 4.44 H new ATOM 0 HB ILE A 60 -2.983 -1.508 1.883 1.00 43.24 H new ATOM 0 HG12 ILE A 60 -2.518 0.328 -0.512 1.00 63.55 H new ATOM 0 HG13 ILE A 60 -1.488 0.210 0.901 1.00 63.55 H new ATOM 0 HG21 ILE A 60 -3.792 -2.528 -0.220 1.00 34.41 H new ATOM 0 HG22 ILE A 60 -5.125 -2.112 0.883 1.00 34.41 H new ATOM 0 HG23 ILE A 60 -4.785 -1.084 -0.529 1.00 34.41 H new ATOM 0 HD11 ILE A 60 -0.538 -1.039 -0.983 1.00 45.44 H new ATOM 0 HD12 ILE A 60 -0.968 -2.146 0.343 1.00 45.44 H new ATOM 0 HD13 ILE A 60 -2.015 -2.026 -1.092 1.00 45.44 H new ATOM 981 N THR A 61 -6.559 0.212 2.206 1.00 54.24 N ATOM 982 CA THR A 61 -7.783 -0.175 2.937 1.00 21.05 C ATOM 983 C THR A 61 -7.998 -1.703 2.891 1.00 2.03 C ATOM 984 O THR A 61 -8.258 -2.282 1.830 1.00 43.10 O ATOM 985 CB THR A 61 -9.054 0.562 2.415 1.00 55.14 C ATOM 986 OG1 THR A 61 -8.845 1.978 2.463 1.00 1.31 O ATOM 987 CG2 THR A 61 -10.309 0.221 3.243 1.00 50.45 C ATOM 0 H THR A 61 -6.732 0.800 1.390 1.00 54.24 H new ATOM 0 HA THR A 61 -7.631 0.132 3.972 1.00 21.05 H new ATOM 0 HB THR A 61 -9.220 0.228 1.391 1.00 55.14 H new ATOM 0 HG1 THR A 61 -8.088 2.217 1.888 1.00 1.31 H new ATOM 0 HG21 THR A 61 -11.168 0.759 2.841 1.00 50.45 H new ATOM 0 HG22 THR A 61 -10.497 -0.852 3.194 1.00 50.45 H new ATOM 0 HG23 THR A 61 -10.151 0.515 4.281 1.00 50.45 H new ATOM 995 N ALA A 62 -7.871 -2.321 4.070 1.00 34.44 N ATOM 996 CA ALA A 62 -7.969 -3.757 4.275 1.00 32.00 C ATOM 997 C ALA A 62 -8.674 -4.006 5.616 1.00 40.02 C ATOM 998 O ALA A 62 -8.030 -4.256 6.641 1.00 55.03 O ATOM 999 CB ALA A 62 -6.562 -4.359 4.243 1.00 13.43 C ATOM 0 H ALA A 62 -7.691 -1.810 4.934 1.00 34.44 H new ATOM 0 HA ALA A 62 -8.552 -4.235 3.488 1.00 32.00 H new ATOM 0 HB1 ALA A 62 -6.624 -5.436 4.396 1.00 13.43 H new ATOM 0 HB2 ALA A 62 -6.101 -4.155 3.276 1.00 13.43 H new ATOM 0 HB3 ALA A 62 -5.958 -3.914 5.034 1.00 13.43 H new ATOM 1005 N ARG A 63 -10.007 -3.824 5.593 1.00 70.41 N ATOM 1006 CA ARG A 63 -10.881 -3.948 6.780 1.00 54.42 C ATOM 1007 C ARG A 63 -10.792 -5.325 7.448 1.00 25.04 C ATOM 1008 O ARG A 63 -10.770 -5.424 8.677 1.00 42.34 O ATOM 1009 CB ARG A 63 -12.377 -3.625 6.456 1.00 0.32 C ATOM 1010 CG ARG A 63 -13.089 -4.482 5.377 1.00 34.00 C ATOM 1011 CD ARG A 63 -12.768 -4.071 3.933 1.00 22.33 C ATOM 1012 NE ARG A 63 -13.181 -2.685 3.660 1.00 62.14 N ATOM 1013 CZ ARG A 63 -12.906 -1.995 2.547 1.00 52.34 C ATOM 1014 NH1 ARG A 63 -12.206 -2.528 1.541 1.00 41.24 N ATOM 1015 NH2 ARG A 63 -13.351 -0.757 2.443 1.00 74.45 N ATOM 0 H ARG A 63 -10.516 -3.584 4.742 1.00 70.41 H new ATOM 0 HA ARG A 63 -10.505 -3.204 7.482 1.00 54.42 H new ATOM 0 HB2 ARG A 63 -12.946 -3.713 7.382 1.00 0.32 H new ATOM 0 HB3 ARG A 63 -12.434 -2.582 6.145 1.00 0.32 H new ATOM 0 HG2 ARG A 63 -12.810 -5.526 5.516 1.00 34.00 H new ATOM 0 HG3 ARG A 63 -14.166 -4.417 5.530 1.00 34.00 H new ATOM 0 HD2 ARG A 63 -11.698 -4.174 3.754 1.00 22.33 H new ATOM 0 HD3 ARG A 63 -13.273 -4.745 3.241 1.00 22.33 H new ATOM 0 HE ARG A 63 -13.723 -2.210 4.381 1.00 62.14 H new ATOM 0 HH11 ARG A 63 -11.865 -3.487 1.609 1.00 41.24 H new ATOM 0 HH12 ARG A 63 -12.013 -1.976 0.705 1.00 41.24 H new ATOM 0 HH21 ARG A 63 -13.893 -0.344 3.202 1.00 74.45 H new ATOM 0 HH22 ARG A 63 -13.153 -0.213 1.603 1.00 74.45 H new ATOM 1029 N THR A 64 -10.742 -6.368 6.626 1.00 4.22 N ATOM 1030 CA THR A 64 -10.889 -7.748 7.074 1.00 60.30 C ATOM 1031 C THR A 64 -9.519 -8.478 7.074 1.00 31.21 C ATOM 1032 O THR A 64 -8.586 -8.040 6.394 1.00 42.32 O ATOM 1033 CB THR A 64 -11.940 -8.440 6.158 1.00 62.22 C ATOM 1034 OG1 THR A 64 -13.091 -7.590 6.010 1.00 54.25 O ATOM 1035 CG2 THR A 64 -12.409 -9.766 6.727 1.00 14.33 C ATOM 0 H THR A 64 -10.597 -6.278 5.620 1.00 4.22 H new ATOM 0 HA THR A 64 -11.243 -7.784 8.104 1.00 60.30 H new ATOM 0 HB THR A 64 -11.456 -8.620 5.198 1.00 62.22 H new ATOM 0 HG1 THR A 64 -13.749 -8.029 5.431 1.00 54.25 H new ATOM 0 HG21 THR A 64 -13.141 -10.212 6.054 1.00 14.33 H new ATOM 0 HG22 THR A 64 -11.557 -10.438 6.833 1.00 14.33 H new ATOM 0 HG23 THR A 64 -12.866 -9.602 7.703 1.00 14.33 H new ATOM 1043 N LYS A 65 -9.436 -9.588 7.842 1.00 14.32 N ATOM 1044 CA LYS A 65 -8.178 -10.287 8.179 1.00 10.31 C ATOM 1045 C LYS A 65 -7.300 -10.689 6.961 1.00 2.32 C ATOM 1046 O LYS A 65 -6.109 -10.381 6.953 1.00 42.20 O ATOM 1047 CB LYS A 65 -8.484 -11.528 9.067 1.00 12.23 C ATOM 1048 CG LYS A 65 -9.445 -12.566 8.449 1.00 61.02 C ATOM 1049 CD LYS A 65 -9.606 -13.834 9.324 1.00 2.24 C ATOM 1050 CE LYS A 65 -10.171 -13.550 10.729 1.00 75.03 C ATOM 1051 NZ LYS A 65 -10.345 -14.804 11.519 1.00 3.12 N ATOM 0 H LYS A 65 -10.258 -10.030 8.252 1.00 14.32 H new ATOM 0 HA LYS A 65 -7.577 -9.562 8.728 1.00 10.31 H new ATOM 0 HB2 LYS A 65 -7.543 -12.025 9.303 1.00 12.23 H new ATOM 0 HB3 LYS A 65 -8.908 -11.183 10.010 1.00 12.23 H new ATOM 0 HG2 LYS A 65 -10.422 -12.106 8.301 1.00 61.02 H new ATOM 0 HG3 LYS A 65 -9.076 -12.854 7.465 1.00 61.02 H new ATOM 0 HD2 LYS A 65 -10.264 -14.536 8.813 1.00 2.24 H new ATOM 0 HD3 LYS A 65 -8.636 -14.321 9.424 1.00 2.24 H new ATOM 0 HE2 LYS A 65 -9.501 -12.875 11.261 1.00 75.03 H new ATOM 0 HE3 LYS A 65 -11.130 -13.041 10.639 1.00 75.03 H new ATOM 0 HZ1 LYS A 65 -10.727 -14.572 12.458 1.00 3.12 H new ATOM 0 HZ2 LYS A 65 -11.004 -15.438 11.024 1.00 3.12 H new ATOM 0 HZ3 LYS A 65 -9.425 -15.277 11.626 1.00 3.12 H new ATOM 1065 N LYS A 66 -7.884 -11.362 5.939 1.00 34.45 N ATOM 1066 CA LYS A 66 -7.106 -11.871 4.781 1.00 54.51 C ATOM 1067 C LYS A 66 -6.516 -10.709 3.976 1.00 55.15 C ATOM 1068 O LYS A 66 -5.364 -10.763 3.540 1.00 63.55 O ATOM 1069 CB LYS A 66 -7.982 -12.782 3.867 1.00 63.33 C ATOM 1070 CG LYS A 66 -7.256 -13.329 2.605 1.00 30.41 C ATOM 1071 CD LYS A 66 -5.987 -14.150 2.950 1.00 1.53 C ATOM 1072 CE LYS A 66 -5.150 -14.512 1.710 1.00 51.14 C ATOM 1073 NZ LYS A 66 -5.883 -15.387 0.759 1.00 0.31 N ATOM 0 H LYS A 66 -8.883 -11.564 5.892 1.00 34.45 H new ATOM 0 HA LYS A 66 -6.287 -12.476 5.169 1.00 54.51 H new ATOM 0 HB2 LYS A 66 -8.342 -13.625 4.456 1.00 63.33 H new ATOM 0 HB3 LYS A 66 -8.859 -12.218 3.549 1.00 63.33 H new ATOM 0 HG2 LYS A 66 -7.945 -13.955 2.038 1.00 30.41 H new ATOM 0 HG3 LYS A 66 -6.979 -12.495 1.961 1.00 30.41 H new ATOM 0 HD2 LYS A 66 -5.370 -13.580 3.645 1.00 1.53 H new ATOM 0 HD3 LYS A 66 -6.282 -15.066 3.463 1.00 1.53 H new ATOM 0 HE2 LYS A 66 -4.851 -13.597 1.199 1.00 51.14 H new ATOM 0 HE3 LYS A 66 -4.236 -15.013 2.028 1.00 51.14 H new ATOM 0 HZ1 LYS A 66 -5.274 -15.600 -0.057 1.00 0.31 H new ATOM 0 HZ2 LYS A 66 -6.146 -16.273 1.235 1.00 0.31 H new ATOM 0 HZ3 LYS A 66 -6.742 -14.901 0.432 1.00 0.31 H new ATOM 1087 N GLU A 67 -7.319 -9.654 3.830 1.00 32.42 N ATOM 1088 CA GLU A 67 -6.933 -8.431 3.121 1.00 4.43 C ATOM 1089 C GLU A 67 -5.778 -7.744 3.862 1.00 45.51 C ATOM 1090 O GLU A 67 -4.832 -7.243 3.240 1.00 20.13 O ATOM 1091 CB GLU A 67 -8.160 -7.482 2.989 1.00 3.31 C ATOM 1092 CG GLU A 67 -9.250 -7.949 1.993 1.00 22.02 C ATOM 1093 CD GLU A 67 -9.843 -9.329 2.329 1.00 75.33 C ATOM 1094 OE1 GLU A 67 -10.585 -9.431 3.322 1.00 33.21 O ATOM 1095 OE2 GLU A 67 -9.515 -10.329 1.653 1.00 24.42 O ATOM 0 H GLU A 67 -8.267 -9.623 4.205 1.00 32.42 H new ATOM 0 HA GLU A 67 -6.593 -8.685 2.117 1.00 4.43 H new ATOM 0 HB2 GLU A 67 -8.615 -7.364 3.972 1.00 3.31 H new ATOM 0 HB3 GLU A 67 -7.807 -6.498 2.681 1.00 3.31 H new ATOM 0 HG2 GLU A 67 -10.053 -7.212 1.975 1.00 22.02 H new ATOM 0 HG3 GLU A 67 -8.824 -7.980 0.990 1.00 22.02 H new ATOM 1102 N ALA A 68 -5.868 -7.769 5.205 1.00 64.45 N ATOM 1103 CA ALA A 68 -4.864 -7.187 6.103 1.00 71.41 C ATOM 1104 C ALA A 68 -3.515 -7.896 5.986 1.00 74.42 C ATOM 1105 O ALA A 68 -2.477 -7.280 6.187 1.00 62.25 O ATOM 1106 CB ALA A 68 -5.375 -7.237 7.544 1.00 52.34 C ATOM 0 H ALA A 68 -6.650 -8.200 5.698 1.00 64.45 H new ATOM 0 HA ALA A 68 -4.706 -6.149 5.809 1.00 71.41 H new ATOM 0 HB1 ALA A 68 -4.628 -6.804 8.210 1.00 52.34 H new ATOM 0 HB2 ALA A 68 -6.302 -6.669 7.621 1.00 52.34 H new ATOM 0 HB3 ALA A 68 -5.559 -8.273 7.829 1.00 52.34 H new ATOM 1112 N GLU A 69 -3.549 -9.199 5.664 1.00 30.31 N ATOM 1113 CA GLU A 69 -2.336 -10.021 5.517 1.00 42.21 C ATOM 1114 C GLU A 69 -1.705 -9.846 4.125 1.00 15.34 C ATOM 1115 O GLU A 69 -0.491 -9.629 4.011 1.00 40.33 O ATOM 1116 CB GLU A 69 -2.677 -11.514 5.765 1.00 73.13 C ATOM 1117 CG GLU A 69 -3.229 -11.822 7.172 1.00 51.13 C ATOM 1118 CD GLU A 69 -2.291 -11.377 8.306 1.00 12.32 C ATOM 1119 OE1 GLU A 69 -1.264 -12.058 8.549 1.00 13.40 O ATOM 1120 OE2 GLU A 69 -2.562 -10.343 8.960 1.00 11.43 O ATOM 0 H GLU A 69 -4.415 -9.712 5.499 1.00 30.31 H new ATOM 0 HA GLU A 69 -1.609 -9.688 6.258 1.00 42.21 H new ATOM 0 HB2 GLU A 69 -3.410 -11.834 5.024 1.00 73.13 H new ATOM 0 HB3 GLU A 69 -1.779 -12.110 5.603 1.00 73.13 H new ATOM 0 HG2 GLU A 69 -4.193 -11.327 7.292 1.00 51.13 H new ATOM 0 HG3 GLU A 69 -3.408 -12.894 7.258 1.00 51.13 H new ATOM 1127 N LYS A 70 -2.549 -9.917 3.079 1.00 23.14 N ATOM 1128 CA LYS A 70 -2.077 -9.992 1.685 1.00 73.12 C ATOM 1129 C LYS A 70 -1.540 -8.629 1.200 1.00 23.30 C ATOM 1130 O LYS A 70 -0.463 -8.572 0.611 1.00 14.15 O ATOM 1131 CB LYS A 70 -3.195 -10.547 0.754 1.00 11.21 C ATOM 1132 CG LYS A 70 -4.448 -9.660 0.615 1.00 61.44 C ATOM 1133 CD LYS A 70 -5.590 -10.330 -0.186 1.00 2.41 C ATOM 1134 CE LYS A 70 -5.154 -10.797 -1.584 1.00 31.13 C ATOM 1135 NZ LYS A 70 -6.306 -11.308 -2.376 1.00 60.21 N ATOM 0 H LYS A 70 -3.565 -9.924 3.174 1.00 23.14 H new ATOM 0 HA LYS A 70 -1.242 -10.691 1.644 1.00 73.12 H new ATOM 0 HB2 LYS A 70 -2.772 -10.705 -0.238 1.00 11.21 H new ATOM 0 HB3 LYS A 70 -3.503 -11.523 1.128 1.00 11.21 H new ATOM 0 HG2 LYS A 70 -4.814 -9.403 1.609 1.00 61.44 H new ATOM 0 HG3 LYS A 70 -4.171 -8.726 0.126 1.00 61.44 H new ATOM 0 HD2 LYS A 70 -5.966 -11.186 0.375 1.00 2.41 H new ATOM 0 HD3 LYS A 70 -6.417 -9.627 -0.286 1.00 2.41 H new ATOM 0 HE2 LYS A 70 -4.686 -9.968 -2.115 1.00 31.13 H new ATOM 0 HE3 LYS A 70 -4.402 -11.580 -1.488 1.00 31.13 H new ATOM 0 HZ1 LYS A 70 -5.958 -11.738 -3.257 1.00 60.21 H new ATOM 0 HZ2 LYS A 70 -6.819 -12.022 -1.821 1.00 60.21 H new ATOM 0 HZ3 LYS A 70 -6.947 -10.521 -2.604 1.00 60.21 H new ATOM 1149 N PHE A 71 -2.282 -7.538 1.496 1.00 51.34 N ATOM 1150 CA PHE A 71 -1.900 -6.170 1.082 1.00 43.20 C ATOM 1151 C PHE A 71 -0.693 -5.681 1.888 1.00 50.32 C ATOM 1152 O PHE A 71 0.126 -4.918 1.376 1.00 74.45 O ATOM 1153 CB PHE A 71 -3.093 -5.181 1.228 1.00 13.32 C ATOM 1154 CG PHE A 71 -4.330 -5.522 0.378 1.00 42.33 C ATOM 1155 CD1 PHE A 71 -4.210 -6.185 -0.847 1.00 11.32 C ATOM 1156 CD2 PHE A 71 -5.616 -5.185 0.811 1.00 24.23 C ATOM 1157 CE1 PHE A 71 -5.328 -6.491 -1.598 1.00 11.43 C ATOM 1158 CE2 PHE A 71 -6.731 -5.494 0.054 1.00 35.31 C ATOM 1159 CZ PHE A 71 -6.586 -6.149 -1.149 1.00 34.03 C ATOM 0 H PHE A 71 -3.154 -7.580 2.023 1.00 51.34 H new ATOM 0 HA PHE A 71 -1.623 -6.205 0.028 1.00 43.20 H new ATOM 0 HB2 PHE A 71 -3.390 -5.146 2.276 1.00 13.32 H new ATOM 0 HB3 PHE A 71 -2.751 -4.181 0.960 1.00 13.32 H new ATOM 0 HD1 PHE A 71 -3.231 -6.461 -1.210 1.00 11.32 H new ATOM 0 HD2 PHE A 71 -5.741 -4.674 1.754 1.00 24.23 H new ATOM 0 HE1 PHE A 71 -5.216 -7.002 -2.543 1.00 11.43 H new ATOM 0 HE2 PHE A 71 -7.715 -5.222 0.406 1.00 35.31 H new ATOM 0 HZ PHE A 71 -7.456 -6.394 -1.740 1.00 34.03 H new ATOM 1169 N ALA A 72 -0.597 -6.151 3.146 1.00 43.31 N ATOM 1170 CA ALA A 72 0.539 -5.859 4.028 1.00 14.31 C ATOM 1171 C ALA A 72 1.831 -6.442 3.459 1.00 30.43 C ATOM 1172 O ALA A 72 2.782 -5.711 3.240 1.00 74.24 O ATOM 1173 CB ALA A 72 0.291 -6.417 5.426 1.00 20.42 C ATOM 0 H ALA A 72 -1.307 -6.744 3.576 1.00 43.31 H new ATOM 0 HA ALA A 72 0.643 -4.776 4.093 1.00 14.31 H new ATOM 0 HB1 ALA A 72 1.144 -6.190 6.065 1.00 20.42 H new ATOM 0 HB2 ALA A 72 -0.607 -5.963 5.845 1.00 20.42 H new ATOM 0 HB3 ALA A 72 0.158 -7.497 5.368 1.00 20.42 H new ATOM 1179 N ALA A 73 1.815 -7.763 3.192 1.00 4.32 N ATOM 1180 CA ALA A 73 3.000 -8.512 2.743 1.00 12.04 C ATOM 1181 C ALA A 73 3.596 -7.909 1.451 1.00 14.13 C ATOM 1182 O ALA A 73 4.806 -7.667 1.379 1.00 33.32 O ATOM 1183 CB ALA A 73 2.639 -9.994 2.555 1.00 61.35 C ATOM 0 H ALA A 73 0.978 -8.339 3.282 1.00 4.32 H new ATOM 0 HA ALA A 73 3.769 -8.435 3.511 1.00 12.04 H new ATOM 0 HB1 ALA A 73 3.520 -10.544 2.223 1.00 61.35 H new ATOM 0 HB2 ALA A 73 2.290 -10.406 3.502 1.00 61.35 H new ATOM 0 HB3 ALA A 73 1.851 -10.085 1.807 1.00 61.35 H new ATOM 1189 N ILE A 74 2.713 -7.614 0.470 1.00 10.24 N ATOM 1190 CA ILE A 74 3.106 -7.002 -0.816 1.00 74.55 C ATOM 1191 C ILE A 74 3.657 -5.571 -0.590 1.00 70.14 C ATOM 1192 O ILE A 74 4.637 -5.186 -1.222 1.00 22.43 O ATOM 1193 CB ILE A 74 1.899 -6.951 -1.837 1.00 54.05 C ATOM 1194 CG1 ILE A 74 1.268 -8.366 -2.035 1.00 12.52 C ATOM 1195 CG2 ILE A 74 2.346 -6.361 -3.205 1.00 43.23 C ATOM 1196 CD1 ILE A 74 -0.003 -8.392 -2.874 1.00 5.43 C ATOM 0 H ILE A 74 1.712 -7.793 0.549 1.00 10.24 H new ATOM 0 HA ILE A 74 3.887 -7.629 -1.246 1.00 74.55 H new ATOM 0 HB ILE A 74 1.139 -6.294 -1.413 1.00 54.05 H new ATOM 0 HG12 ILE A 74 2.008 -9.015 -2.503 1.00 12.52 H new ATOM 0 HG13 ILE A 74 1.047 -8.789 -1.055 1.00 12.52 H new ATOM 0 HG21 ILE A 74 1.496 -6.338 -3.887 1.00 43.23 H new ATOM 0 HG22 ILE A 74 2.721 -5.348 -3.059 1.00 43.23 H new ATOM 0 HG23 ILE A 74 3.134 -6.983 -3.629 1.00 43.23 H new ATOM 0 HD11 ILE A 74 -0.365 -9.417 -2.954 1.00 5.43 H new ATOM 0 HD12 ILE A 74 -0.765 -7.774 -2.399 1.00 5.43 H new ATOM 0 HD13 ILE A 74 0.210 -8.003 -3.870 1.00 5.43 H new ATOM 1208 N LEU A 75 3.031 -4.810 0.337 1.00 71.22 N ATOM 1209 CA LEU A 75 3.417 -3.404 0.619 1.00 3.11 C ATOM 1210 C LEU A 75 4.771 -3.334 1.374 1.00 64.35 C ATOM 1211 O LEU A 75 5.530 -2.375 1.207 1.00 4.14 O ATOM 1212 CB LEU A 75 2.287 -2.676 1.403 1.00 11.11 C ATOM 1213 CG LEU A 75 2.414 -1.122 1.539 1.00 71.22 C ATOM 1214 CD1 LEU A 75 2.578 -0.439 0.162 1.00 61.11 C ATOM 1215 CD2 LEU A 75 1.207 -0.540 2.318 1.00 31.41 C ATOM 0 H LEU A 75 2.253 -5.146 0.905 1.00 71.22 H new ATOM 0 HA LEU A 75 3.552 -2.889 -0.332 1.00 3.11 H new ATOM 0 HB2 LEU A 75 1.337 -2.898 0.916 1.00 11.11 H new ATOM 0 HB3 LEU A 75 2.239 -3.102 2.405 1.00 11.11 H new ATOM 0 HG LEU A 75 3.319 -0.911 2.109 1.00 71.22 H new ATOM 0 HD11 LEU A 75 2.663 0.639 0.298 1.00 61.11 H new ATOM 0 HD12 LEU A 75 3.477 -0.815 -0.326 1.00 61.11 H new ATOM 0 HD13 LEU A 75 1.710 -0.659 -0.459 1.00 61.11 H new ATOM 0 HD21 LEU A 75 1.315 0.541 2.401 1.00 31.41 H new ATOM 0 HD22 LEU A 75 0.284 -0.773 1.786 1.00 31.41 H new ATOM 0 HD23 LEU A 75 1.172 -0.979 3.315 1.00 31.41 H new ATOM 1227 N ILE A 76 5.067 -4.383 2.172 1.00 45.40 N ATOM 1228 CA ILE A 76 6.376 -4.563 2.836 1.00 44.44 C ATOM 1229 C ILE A 76 7.443 -4.837 1.750 1.00 54.54 C ATOM 1230 O ILE A 76 8.567 -4.338 1.846 1.00 40.31 O ATOM 1231 CB ILE A 76 6.328 -5.722 3.944 1.00 51.15 C ATOM 1232 CG1 ILE A 76 5.909 -5.170 5.357 1.00 1.11 C ATOM 1233 CG2 ILE A 76 7.660 -6.515 4.067 1.00 40.31 C ATOM 1234 CD1 ILE A 76 4.592 -4.422 5.419 1.00 42.04 C ATOM 0 H ILE A 76 4.403 -5.130 2.374 1.00 45.40 H new ATOM 0 HA ILE A 76 6.640 -3.653 3.375 1.00 44.44 H new ATOM 0 HB ILE A 76 5.564 -6.415 3.592 1.00 51.15 H new ATOM 0 HG12 ILE A 76 5.860 -6.008 6.052 1.00 1.11 H new ATOM 0 HG13 ILE A 76 6.697 -4.507 5.713 1.00 1.11 H new ATOM 0 HG21 ILE A 76 7.557 -7.283 4.834 1.00 40.31 H new ATOM 0 HG22 ILE A 76 7.893 -6.985 3.112 1.00 40.31 H new ATOM 0 HG23 ILE A 76 8.465 -5.834 4.342 1.00 40.31 H new ATOM 0 HD11 ILE A 76 4.410 -4.090 6.441 1.00 42.04 H new ATOM 0 HD12 ILE A 76 4.634 -3.556 4.758 1.00 42.04 H new ATOM 0 HD13 ILE A 76 3.784 -5.081 5.102 1.00 42.04 H new ATOM 1246 N LYS A 77 7.060 -5.609 0.705 1.00 24.34 N ATOM 1247 CA LYS A 77 7.943 -5.874 -0.453 1.00 54.03 C ATOM 1248 C LYS A 77 8.175 -4.597 -1.298 1.00 71.02 C ATOM 1249 O LYS A 77 9.273 -4.397 -1.804 1.00 33.41 O ATOM 1250 CB LYS A 77 7.387 -7.026 -1.339 1.00 74.23 C ATOM 1251 CG LYS A 77 7.217 -8.385 -0.617 1.00 21.10 C ATOM 1252 CD LYS A 77 8.496 -8.887 0.084 1.00 11.24 C ATOM 1253 CE LYS A 77 9.665 -9.156 -0.881 1.00 10.43 C ATOM 1254 NZ LYS A 77 9.354 -10.219 -1.878 1.00 23.23 N ATOM 0 H LYS A 77 6.146 -6.058 0.642 1.00 24.34 H new ATOM 0 HA LYS A 77 8.907 -6.190 -0.054 1.00 54.03 H new ATOM 0 HB2 LYS A 77 6.420 -6.721 -1.740 1.00 74.23 H new ATOM 0 HB3 LYS A 77 8.055 -7.165 -2.189 1.00 74.23 H new ATOM 0 HG2 LYS A 77 6.421 -8.295 0.122 1.00 21.10 H new ATOM 0 HG3 LYS A 77 6.895 -9.132 -1.342 1.00 21.10 H new ATOM 0 HD2 LYS A 77 8.809 -8.149 0.823 1.00 11.24 H new ATOM 0 HD3 LYS A 77 8.266 -9.804 0.627 1.00 11.24 H new ATOM 0 HE2 LYS A 77 9.918 -8.234 -1.405 1.00 10.43 H new ATOM 0 HE3 LYS A 77 10.545 -9.448 -0.307 1.00 10.43 H new ATOM 0 HZ1 LYS A 77 10.196 -10.408 -2.458 1.00 23.23 H new ATOM 0 HZ2 LYS A 77 9.073 -11.089 -1.382 1.00 23.23 H new ATOM 0 HZ3 LYS A 77 8.575 -9.903 -2.491 1.00 23.23 H new ATOM 1268 N VAL A 78 7.133 -3.741 -1.420 1.00 61.21 N ATOM 1269 CA VAL A 78 7.211 -2.431 -2.126 1.00 52.10 C ATOM 1270 C VAL A 78 8.247 -1.506 -1.436 1.00 44.31 C ATOM 1271 O VAL A 78 9.033 -0.820 -2.102 1.00 63.31 O ATOM 1272 CB VAL A 78 5.782 -1.740 -2.191 1.00 53.21 C ATOM 1273 CG1 VAL A 78 5.844 -0.276 -2.694 1.00 32.54 C ATOM 1274 CG2 VAL A 78 4.818 -2.575 -3.075 1.00 43.13 C ATOM 0 H VAL A 78 6.210 -3.936 -1.032 1.00 61.21 H new ATOM 0 HA VAL A 78 7.542 -2.609 -3.149 1.00 52.10 H new ATOM 0 HB VAL A 78 5.401 -1.706 -1.170 1.00 53.21 H new ATOM 0 HG11 VAL A 78 4.838 0.144 -2.717 1.00 32.54 H new ATOM 0 HG12 VAL A 78 6.468 0.313 -2.022 1.00 32.54 H new ATOM 0 HG13 VAL A 78 6.270 -0.254 -3.697 1.00 32.54 H new ATOM 0 HG21 VAL A 78 3.843 -2.089 -3.110 1.00 43.13 H new ATOM 0 HG22 VAL A 78 5.223 -2.650 -4.084 1.00 43.13 H new ATOM 0 HG23 VAL A 78 4.710 -3.574 -2.653 1.00 43.13 H new ATOM 1284 N TYR A 79 8.236 -1.534 -0.094 1.00 52.22 N ATOM 1285 CA TYR A 79 9.210 -0.810 0.753 1.00 63.03 C ATOM 1286 C TYR A 79 10.595 -1.495 0.737 1.00 31.55 C ATOM 1287 O TYR A 79 11.631 -0.828 0.873 1.00 44.23 O ATOM 1288 CB TYR A 79 8.661 -0.680 2.207 1.00 10.23 C ATOM 1289 CG TYR A 79 7.696 0.495 2.419 1.00 23.33 C ATOM 1290 CD1 TYR A 79 6.551 0.651 1.627 1.00 42.24 C ATOM 1291 CD2 TYR A 79 7.942 1.462 3.402 1.00 61.25 C ATOM 1292 CE1 TYR A 79 5.695 1.718 1.814 1.00 12.12 C ATOM 1293 CE2 TYR A 79 7.091 2.527 3.588 1.00 4.42 C ATOM 1294 CZ TYR A 79 5.970 2.650 2.793 1.00 2.24 C ATOM 1295 OH TYR A 79 5.129 3.717 2.971 1.00 74.02 O ATOM 0 H TYR A 79 7.548 -2.062 0.442 1.00 52.22 H new ATOM 0 HA TYR A 79 9.344 0.190 0.341 1.00 63.03 H new ATOM 0 HB2 TYR A 79 8.151 -1.606 2.474 1.00 10.23 H new ATOM 0 HB3 TYR A 79 9.502 -0.571 2.891 1.00 10.23 H new ATOM 0 HD1 TYR A 79 6.334 -0.075 0.858 1.00 42.24 H new ATOM 0 HD2 TYR A 79 8.818 1.370 4.027 1.00 61.25 H new ATOM 0 HE1 TYR A 79 4.815 1.822 1.197 1.00 12.12 H new ATOM 0 HE2 TYR A 79 7.299 3.262 4.351 1.00 4.42 H new ATOM 0 HH TYR A 79 5.621 4.456 3.386 1.00 74.02 H new ATOM 1305 N ALA A 80 10.603 -2.825 0.549 1.00 74.30 N ATOM 1306 CA ALA A 80 11.846 -3.620 0.472 1.00 21.43 C ATOM 1307 C ALA A 80 12.611 -3.346 -0.826 1.00 60.03 C ATOM 1308 O ALA A 80 13.841 -3.486 -0.875 1.00 41.54 O ATOM 1309 CB ALA A 80 11.542 -5.115 0.636 1.00 73.41 C ATOM 0 H ALA A 80 9.753 -3.380 0.446 1.00 74.30 H new ATOM 0 HA ALA A 80 12.491 -3.312 1.295 1.00 21.43 H new ATOM 0 HB1 ALA A 80 12.470 -5.684 0.576 1.00 73.41 H new ATOM 0 HB2 ALA A 80 11.073 -5.287 1.605 1.00 73.41 H new ATOM 0 HB3 ALA A 80 10.867 -5.438 -0.156 1.00 73.41 H new ATOM 1315 N GLU A 81 11.863 -2.954 -1.873 1.00 63.10 N ATOM 1316 CA GLU A 81 12.429 -2.505 -3.150 1.00 23.53 C ATOM 1317 C GLU A 81 13.226 -1.198 -2.961 1.00 34.15 C ATOM 1318 O GLU A 81 14.292 -1.020 -3.547 1.00 12.44 O ATOM 1319 CB GLU A 81 11.282 -2.250 -4.162 1.00 41.22 C ATOM 1320 CG GLU A 81 10.459 -3.493 -4.569 1.00 20.24 C ATOM 1321 CD GLU A 81 11.176 -4.418 -5.562 1.00 12.33 C ATOM 1322 OE1 GLU A 81 11.031 -4.204 -6.789 1.00 22.34 O ATOM 1323 OE2 GLU A 81 11.890 -5.352 -5.132 1.00 20.41 O ATOM 0 H GLU A 81 10.843 -2.941 -1.853 1.00 63.10 H new ATOM 0 HA GLU A 81 13.098 -3.280 -3.524 1.00 23.53 H new ATOM 0 HB2 GLU A 81 10.603 -1.511 -3.735 1.00 41.22 H new ATOM 0 HB3 GLU A 81 11.708 -1.808 -5.063 1.00 41.22 H new ATOM 0 HG2 GLU A 81 10.211 -4.061 -3.673 1.00 20.24 H new ATOM 0 HG3 GLU A 81 9.517 -3.165 -5.009 1.00 20.24 H new ATOM 1330 N LEU A 82 12.685 -0.292 -2.125 1.00 5.02 N ATOM 1331 CA LEU A 82 13.149 1.114 -2.046 1.00 11.34 C ATOM 1332 C LEU A 82 13.991 1.403 -0.789 1.00 3.41 C ATOM 1333 O LEU A 82 14.582 2.485 -0.684 1.00 61.11 O ATOM 1334 CB LEU A 82 11.915 2.054 -2.085 1.00 64.32 C ATOM 1335 CG LEU A 82 10.956 1.868 -3.299 1.00 0.13 C ATOM 1336 CD1 LEU A 82 9.761 2.828 -3.206 1.00 62.15 C ATOM 1337 CD2 LEU A 82 11.706 2.026 -4.641 1.00 34.53 C ATOM 0 H LEU A 82 11.919 -0.508 -1.487 1.00 5.02 H new ATOM 0 HA LEU A 82 13.800 1.294 -2.901 1.00 11.34 H new ATOM 0 HB2 LEU A 82 11.343 1.909 -1.169 1.00 64.32 H new ATOM 0 HB3 LEU A 82 12.268 3.085 -2.080 1.00 64.32 H new ATOM 0 HG LEU A 82 10.568 0.850 -3.264 1.00 0.13 H new ATOM 0 HD11 LEU A 82 9.107 2.679 -4.065 1.00 62.15 H new ATOM 0 HD12 LEU A 82 9.206 2.631 -2.289 1.00 62.15 H new ATOM 0 HD13 LEU A 82 10.121 3.857 -3.199 1.00 62.15 H new ATOM 0 HD21 LEU A 82 11.007 1.890 -5.466 1.00 34.53 H new ATOM 0 HD22 LEU A 82 12.145 3.022 -4.697 1.00 34.53 H new ATOM 0 HD23 LEU A 82 12.495 1.277 -4.707 1.00 34.53 H new ATOM 1349 N GLY A 83 14.041 0.450 0.158 1.00 43.33 N ATOM 1350 CA GLY A 83 14.713 0.670 1.448 1.00 50.12 C ATOM 1351 C GLY A 83 15.439 -0.565 1.964 1.00 42.54 C ATOM 1352 O GLY A 83 16.657 -0.685 1.805 1.00 74.33 O ATOM 0 H GLY A 83 13.626 -0.476 0.054 1.00 43.33 H new ATOM 0 HA2 GLY A 83 15.427 1.487 1.344 1.00 50.12 H new ATOM 0 HA3 GLY A 83 13.975 0.985 2.186 1.00 50.12 H new ATOM 1403 N ILE A 87 10.731 -4.545 7.122 1.00 65.15 N ATOM 1404 CA ILE A 87 9.797 -3.392 7.191 1.00 63.15 C ATOM 1405 C ILE A 87 8.673 -3.681 8.211 1.00 42.44 C ATOM 1406 O ILE A 87 8.273 -4.840 8.381 1.00 71.11 O ATOM 1407 CB ILE A 87 9.185 -3.088 5.766 1.00 43.53 C ATOM 1408 CG1 ILE A 87 10.310 -2.781 4.731 1.00 20.04 C ATOM 1409 CG2 ILE A 87 8.146 -1.939 5.799 1.00 43.13 C ATOM 1410 CD1 ILE A 87 11.118 -1.519 5.008 1.00 73.53 C ATOM 0 HA ILE A 87 10.351 -2.513 7.519 1.00 63.15 H new ATOM 0 HB ILE A 87 8.656 -3.988 5.453 1.00 43.53 H new ATOM 0 HG12 ILE A 87 10.992 -3.630 4.697 1.00 20.04 H new ATOM 0 HG13 ILE A 87 9.859 -2.695 3.742 1.00 20.04 H new ATOM 0 HG21 ILE A 87 7.757 -1.771 4.795 1.00 43.13 H new ATOM 0 HG22 ILE A 87 7.326 -2.209 6.465 1.00 43.13 H new ATOM 0 HG23 ILE A 87 8.623 -1.028 6.160 1.00 43.13 H new ATOM 0 HD11 ILE A 87 11.874 -1.394 4.233 1.00 73.53 H new ATOM 0 HD12 ILE A 87 10.454 -0.655 5.010 1.00 73.53 H new ATOM 0 HD13 ILE A 87 11.605 -1.605 5.979 1.00 73.53 H new ATOM 1422 N ASN A 88 8.164 -2.627 8.880 1.00 70.21 N ATOM 1423 CA ASN A 88 7.096 -2.754 9.884 1.00 13.24 C ATOM 1424 C ASN A 88 5.719 -2.621 9.224 1.00 1.02 C ATOM 1425 O ASN A 88 5.515 -1.765 8.358 1.00 52.45 O ATOM 1426 CB ASN A 88 7.253 -1.677 10.981 1.00 33.31 C ATOM 1427 CG ASN A 88 6.224 -1.808 12.108 1.00 32.12 C ATOM 1428 OD1 ASN A 88 5.180 -1.152 12.108 1.00 24.54 O ATOM 1429 ND2 ASN A 88 6.507 -2.675 13.070 1.00 24.25 N ATOM 0 H ASN A 88 8.482 -1.668 8.738 1.00 70.21 H new ATOM 0 HA ASN A 88 7.176 -3.740 10.341 1.00 13.24 H new ATOM 0 HB2 ASN A 88 8.255 -1.742 11.404 1.00 33.31 H new ATOM 0 HB3 ASN A 88 7.162 -0.690 10.528 1.00 33.31 H new ATOM 0 HD21 ASN A 88 5.852 -2.815 13.839 1.00 24.25 H new ATOM 0 HD22 ASN A 88 7.380 -3.202 13.041 1.00 24.25 H new ATOM 1436 N VAL A 89 4.793 -3.481 9.659 1.00 5.00 N ATOM 1437 CA VAL A 89 3.380 -3.446 9.280 1.00 23.21 C ATOM 1438 C VAL A 89 2.552 -2.991 10.501 1.00 12.20 C ATOM 1439 O VAL A 89 2.739 -3.496 11.614 1.00 71.12 O ATOM 1440 CB VAL A 89 2.887 -4.853 8.762 1.00 24.31 C ATOM 1441 CG1 VAL A 89 3.294 -5.995 9.724 1.00 24.55 C ATOM 1442 CG2 VAL A 89 1.360 -4.853 8.501 1.00 43.15 C ATOM 0 H VAL A 89 5.013 -4.241 10.302 1.00 5.00 H new ATOM 0 HA VAL A 89 3.247 -2.741 8.460 1.00 23.21 H new ATOM 0 HB VAL A 89 3.386 -5.040 7.811 1.00 24.31 H new ATOM 0 HG11 VAL A 89 2.936 -6.947 9.331 1.00 24.55 H new ATOM 0 HG12 VAL A 89 4.380 -6.025 9.814 1.00 24.55 H new ATOM 0 HG13 VAL A 89 2.853 -5.819 10.705 1.00 24.55 H new ATOM 0 HG21 VAL A 89 1.052 -5.836 8.145 1.00 43.15 H new ATOM 0 HG22 VAL A 89 0.833 -4.620 9.426 1.00 43.15 H new ATOM 0 HG23 VAL A 89 1.120 -4.103 7.748 1.00 43.15 H new ATOM 1452 N THR A 90 1.667 -2.017 10.280 1.00 42.12 N ATOM 1453 CA THR A 90 0.747 -1.496 11.293 1.00 42.42 C ATOM 1454 C THR A 90 -0.691 -1.578 10.733 1.00 62.24 C ATOM 1455 O THR A 90 -0.929 -1.208 9.586 1.00 64.14 O ATOM 1456 CB THR A 90 1.101 -0.010 11.649 1.00 44.13 C ATOM 1457 OG1 THR A 90 2.500 0.108 11.980 1.00 61.41 O ATOM 1458 CG2 THR A 90 0.262 0.519 12.818 1.00 64.32 C ATOM 0 H THR A 90 1.568 -1.559 9.374 1.00 42.12 H new ATOM 0 HA THR A 90 0.831 -2.089 12.204 1.00 42.42 H new ATOM 0 HB THR A 90 0.874 0.590 10.768 1.00 44.13 H new ATOM 0 HG1 THR A 90 2.707 1.041 12.198 1.00 61.41 H new ATOM 0 HG21 THR A 90 0.542 1.551 13.029 1.00 64.32 H new ATOM 0 HG22 THR A 90 -0.795 0.476 12.556 1.00 64.32 H new ATOM 0 HG23 THR A 90 0.442 -0.093 13.702 1.00 64.32 H new ATOM 1466 N TRP A 91 -1.626 -2.096 11.530 1.00 15.54 N ATOM 1467 CA TRP A 91 -3.044 -2.205 11.161 1.00 1.21 C ATOM 1468 C TRP A 91 -3.868 -1.777 12.376 1.00 63.31 C ATOM 1469 O TRP A 91 -3.907 -2.493 13.377 1.00 64.13 O ATOM 1470 CB TRP A 91 -3.346 -3.671 10.731 1.00 52.52 C ATOM 1471 CG TRP A 91 -4.755 -3.941 10.241 1.00 15.32 C ATOM 1472 CD1 TRP A 91 -5.495 -3.180 9.375 1.00 61.43 C ATOM 1473 CD2 TRP A 91 -5.570 -5.081 10.563 1.00 23.43 C ATOM 1474 NE1 TRP A 91 -6.709 -3.774 9.143 1.00 24.50 N ATOM 1475 CE2 TRP A 91 -6.780 -4.941 9.857 1.00 1.35 C ATOM 1476 CE3 TRP A 91 -5.393 -6.206 11.381 1.00 54.31 C ATOM 1477 CZ2 TRP A 91 -7.804 -5.881 9.936 1.00 52.44 C ATOM 1478 CZ3 TRP A 91 -6.413 -7.137 11.460 1.00 73.24 C ATOM 1479 CH2 TRP A 91 -7.604 -6.971 10.740 1.00 35.41 C ATOM 0 H TRP A 91 -1.421 -2.457 12.462 1.00 15.54 H new ATOM 0 HA TRP A 91 -3.298 -1.562 10.318 1.00 1.21 H new ATOM 0 HB2 TRP A 91 -2.648 -3.948 9.941 1.00 52.52 H new ATOM 0 HB3 TRP A 91 -3.145 -4.326 11.578 1.00 52.52 H new ATOM 0 HD1 TRP A 91 -5.169 -2.247 8.938 1.00 61.43 H new ATOM 0 HE1 TRP A 91 -7.442 -3.406 8.536 1.00 24.50 H new ATOM 0 HE3 TRP A 91 -4.478 -6.343 11.938 1.00 54.31 H new ATOM 0 HZ2 TRP A 91 -8.723 -5.755 9.383 1.00 52.44 H new ATOM 0 HZ3 TRP A 91 -6.289 -8.007 12.088 1.00 73.24 H new ATOM 0 HH2 TRP A 91 -8.380 -7.718 10.821 1.00 35.41 H new ATOM 1490 N ASP A 92 -4.450 -0.567 12.307 1.00 13.31 N ATOM 1491 CA ASP A 92 -5.266 0.012 13.394 1.00 53.00 C ATOM 1492 C ASP A 92 -6.755 -0.027 13.014 1.00 41.45 C ATOM 1493 O ASP A 92 -7.550 -0.745 13.632 1.00 25.32 O ATOM 1494 CB ASP A 92 -4.841 1.476 13.701 1.00 33.13 C ATOM 1495 CG ASP A 92 -3.442 1.611 14.310 1.00 2.11 C ATOM 1496 OD1 ASP A 92 -3.291 1.355 15.526 1.00 22.15 O ATOM 1497 OD2 ASP A 92 -2.497 1.996 13.595 1.00 34.44 O ATOM 0 H ASP A 92 -4.368 0.041 11.492 1.00 13.31 H new ATOM 0 HA ASP A 92 -5.103 -0.586 14.290 1.00 53.00 H new ATOM 0 HB2 ASP A 92 -4.880 2.055 12.778 1.00 33.13 H new ATOM 0 HB3 ASP A 92 -5.566 1.917 14.385 1.00 33.13 H new ATOM 1502 N GLY A 93 -7.118 0.766 11.991 1.00 32.25 N ATOM 1503 CA GLY A 93 -8.494 0.841 11.499 1.00 44.42 C ATOM 1504 C GLY A 93 -8.740 -0.140 10.368 1.00 60.44 C ATOM 1505 O GLY A 93 -8.116 -1.206 10.309 1.00 1.03 O ATOM 0 H GLY A 93 -6.466 1.368 11.488 1.00 32.25 H new ATOM 0 HA2 GLY A 93 -9.185 0.634 12.317 1.00 44.42 H new ATOM 0 HA3 GLY A 93 -8.702 1.854 11.154 1.00 44.42 H new ATOM 1509 N ASP A 94 -9.617 0.238 9.440 1.00 22.00 N ATOM 1510 CA ASP A 94 -9.978 -0.583 8.265 1.00 53.51 C ATOM 1511 C ASP A 94 -8.913 -0.483 7.153 1.00 65.43 C ATOM 1512 O ASP A 94 -9.189 -0.822 6.007 1.00 44.14 O ATOM 1513 CB ASP A 94 -11.371 -0.139 7.724 1.00 52.52 C ATOM 1514 CG ASP A 94 -12.514 -0.354 8.731 1.00 53.12 C ATOM 1515 OD1 ASP A 94 -12.677 0.477 9.642 1.00 43.10 O ATOM 1516 OD2 ASP A 94 -13.251 -1.346 8.620 1.00 72.45 O ATOM 0 H ASP A 94 -10.108 1.132 9.475 1.00 22.00 H new ATOM 0 HA ASP A 94 -10.025 -1.626 8.579 1.00 53.51 H new ATOM 0 HB2 ASP A 94 -11.328 0.916 7.454 1.00 52.52 H new ATOM 0 HB3 ASP A 94 -11.592 -0.693 6.811 1.00 52.52 H new ATOM 1521 N THR A 95 -7.685 -0.065 7.511 1.00 74.53 N ATOM 1522 CA THR A 95 -6.607 0.234 6.560 1.00 54.15 C ATOM 1523 C THR A 95 -5.235 -0.172 7.172 1.00 62.44 C ATOM 1524 O THR A 95 -4.965 0.115 8.346 1.00 75.14 O ATOM 1525 CB THR A 95 -6.640 1.766 6.203 1.00 1.34 C ATOM 1526 OG1 THR A 95 -7.907 2.105 5.597 1.00 51.04 O ATOM 1527 CG2 THR A 95 -5.523 2.192 5.251 1.00 53.00 C ATOM 0 H THR A 95 -7.413 0.075 8.484 1.00 74.53 H new ATOM 0 HA THR A 95 -6.749 -0.339 5.644 1.00 54.15 H new ATOM 0 HB THR A 95 -6.496 2.297 7.144 1.00 1.34 H new ATOM 0 HG1 THR A 95 -7.920 3.060 5.379 1.00 51.04 H new ATOM 0 HG21 THR A 95 -5.606 3.260 5.047 1.00 53.00 H new ATOM 0 HG22 THR A 95 -4.556 1.984 5.709 1.00 53.00 H new ATOM 0 HG23 THR A 95 -5.610 1.637 4.317 1.00 53.00 H new ATOM 1535 N VAL A 96 -4.385 -0.840 6.360 1.00 51.25 N ATOM 1536 CA VAL A 96 -3.035 -1.281 6.760 1.00 44.32 C ATOM 1537 C VAL A 96 -2.019 -0.183 6.407 1.00 63.15 C ATOM 1538 O VAL A 96 -1.746 0.075 5.230 1.00 13.22 O ATOM 1539 CB VAL A 96 -2.630 -2.625 6.042 1.00 20.23 C ATOM 1540 CG1 VAL A 96 -1.173 -3.039 6.362 1.00 22.05 C ATOM 1541 CG2 VAL A 96 -3.612 -3.753 6.412 1.00 64.44 C ATOM 0 H VAL A 96 -4.622 -1.089 5.400 1.00 51.25 H new ATOM 0 HA VAL A 96 -3.038 -1.462 7.835 1.00 44.32 H new ATOM 0 HB VAL A 96 -2.686 -2.450 4.968 1.00 20.23 H new ATOM 0 HG11 VAL A 96 -0.938 -3.970 5.846 1.00 22.05 H new ATOM 0 HG12 VAL A 96 -0.491 -2.257 6.028 1.00 22.05 H new ATOM 0 HG13 VAL A 96 -1.063 -3.182 7.437 1.00 22.05 H new ATOM 0 HG21 VAL A 96 -3.317 -4.673 5.907 1.00 64.44 H new ATOM 0 HG22 VAL A 96 -3.596 -3.910 7.491 1.00 64.44 H new ATOM 0 HG23 VAL A 96 -4.619 -3.476 6.100 1.00 64.44 H new ATOM 1551 N THR A 97 -1.492 0.460 7.446 1.00 70.44 N ATOM 1552 CA THR A 97 -0.514 1.538 7.341 1.00 24.14 C ATOM 1553 C THR A 97 0.910 0.976 7.502 1.00 64.45 C ATOM 1554 O THR A 97 1.192 0.237 8.438 1.00 14.42 O ATOM 1555 CB THR A 97 -0.809 2.607 8.435 1.00 74.23 C ATOM 1556 OG1 THR A 97 -2.168 3.066 8.289 1.00 5.11 O ATOM 1557 CG2 THR A 97 0.156 3.799 8.366 1.00 4.14 C ATOM 0 H THR A 97 -1.741 0.239 8.410 1.00 70.44 H new ATOM 0 HA THR A 97 -0.587 2.005 6.359 1.00 24.14 H new ATOM 0 HB THR A 97 -0.666 2.138 9.409 1.00 74.23 H new ATOM 0 HG1 THR A 97 -2.362 3.738 8.975 1.00 5.11 H new ATOM 0 HG21 THR A 97 -0.093 4.515 9.150 1.00 4.14 H new ATOM 0 HG22 THR A 97 1.178 3.448 8.507 1.00 4.14 H new ATOM 0 HG23 THR A 97 0.069 4.282 7.393 1.00 4.14 H new ATOM 1565 N VAL A 98 1.788 1.330 6.568 1.00 42.55 N ATOM 1566 CA VAL A 98 3.200 0.934 6.565 1.00 24.14 C ATOM 1567 C VAL A 98 4.045 2.214 6.473 1.00 0.12 C ATOM 1568 O VAL A 98 3.849 3.026 5.561 1.00 41.23 O ATOM 1569 CB VAL A 98 3.506 -0.049 5.371 1.00 51.14 C ATOM 1570 CG1 VAL A 98 5.013 -0.360 5.249 1.00 63.53 C ATOM 1571 CG2 VAL A 98 2.685 -1.356 5.523 1.00 12.43 C ATOM 0 H VAL A 98 1.535 1.914 5.771 1.00 42.55 H new ATOM 0 HA VAL A 98 3.446 0.396 7.480 1.00 24.14 H new ATOM 0 HB VAL A 98 3.206 0.450 4.450 1.00 51.14 H new ATOM 0 HG11 VAL A 98 5.178 -1.041 4.414 1.00 63.53 H new ATOM 0 HG12 VAL A 98 5.563 0.565 5.077 1.00 63.53 H new ATOM 0 HG13 VAL A 98 5.364 -0.825 6.170 1.00 63.53 H new ATOM 0 HG21 VAL A 98 2.907 -2.024 4.691 1.00 12.43 H new ATOM 0 HG22 VAL A 98 2.949 -1.844 6.461 1.00 12.43 H new ATOM 0 HG23 VAL A 98 1.621 -1.119 5.524 1.00 12.43 H new ATOM 1581 N GLU A 99 4.950 2.403 7.444 1.00 61.34 N ATOM 1582 CA GLU A 99 5.771 3.613 7.579 1.00 53.44 C ATOM 1583 C GLU A 99 7.186 3.212 8.013 1.00 11.21 C ATOM 1584 O GLU A 99 7.362 2.619 9.088 1.00 41.54 O ATOM 1585 CB GLU A 99 5.129 4.571 8.620 1.00 72.25 C ATOM 1586 CG GLU A 99 5.957 5.836 8.937 1.00 12.30 C ATOM 1587 CD GLU A 99 5.305 6.736 10.001 1.00 0.03 C ATOM 1588 OE1 GLU A 99 5.247 6.329 11.182 1.00 62.34 O ATOM 1589 OE2 GLU A 99 4.849 7.850 9.667 1.00 71.03 O ATOM 0 H GLU A 99 5.134 1.709 8.168 1.00 61.34 H new ATOM 0 HA GLU A 99 5.826 4.134 6.623 1.00 53.44 H new ATOM 0 HB2 GLU A 99 4.149 4.878 8.254 1.00 72.25 H new ATOM 0 HB3 GLU A 99 4.965 4.020 9.546 1.00 72.25 H new ATOM 0 HG2 GLU A 99 6.948 5.537 9.280 1.00 12.30 H new ATOM 0 HG3 GLU A 99 6.097 6.410 8.021 1.00 12.30 H new ATOM 1596 N GLY A 100 8.180 3.531 7.160 1.00 61.23 N ATOM 1597 CA GLY A 100 9.590 3.259 7.442 1.00 64.43 C ATOM 1598 C GLY A 100 9.897 1.773 7.628 1.00 11.33 C ATOM 1599 O GLY A 100 9.767 0.989 6.685 1.00 20.13 O ATOM 0 H GLY A 100 8.021 3.983 6.260 1.00 61.23 H new ATOM 0 HA2 GLY A 100 10.198 3.648 6.625 1.00 64.43 H new ATOM 0 HA3 GLY A 100 9.883 3.798 8.343 1.00 64.43 H new