USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 874 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 411 MET CE :methyl -173:sc= -6.64! (180deg=-7.01!) USER MOD Set 1.2: A 450 MET CE :methyl 153:sc= -3.7! (180deg=-5.47!) USER MOD Set 2.1: A 421 HIS : no HD1:sc= -4.03! C(o=-11!,f=-14!) USER MOD Set 2.2: A 423 SER OG : rot 70:sc= -0.756 USER MOD Set 2.3: A 439 SER OG : rot 180:sc= 0 USER MOD Set 2.4: A 442 CYS SG : rot 180:sc= -0.86 USER MOD Set 2.5: A 444 ASN : amide:sc= -5.28! C(o=-11!,f=-14!) USER MOD Set 3.1: A 370 SER OG : rot 47:sc= -0.259 USER MOD Set 3.2: A 377 THR OG1 : rot -108:sc= 1.14 USER MOD Set 4.1: A 374 THR OG1 : rot 180:sc= -2.12! USER MOD Set 4.2: A 375 THR OG1 : rot -160:sc= -0.101 USER MOD Set 4.3: A 440 HIS : no HD1:sc= -0.58 X(o=-2.8,f=-3.1) USER MOD Single : A 343 THR OG1 : rot 26:sc= 0.21 USER MOD Single : A 344 TYR OH : rot 18:sc= 0.395 USER MOD Single : A 351 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 352 GLN : amide:sc= -7.08! C(o=-7.1!,f=-11!) USER MOD Single : A 353 HIS : no HE2:sc= -3.3! C(o=-3.3!,f=-3.2!) USER MOD Single : A 354 MET CE :methyl -175:sc= -6.08! (180deg=-6.35!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 50:sc= 0.0456 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 70:sc= -2.13! USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.46) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 57:sc= -4.28! USER MOD Single : A 408 ASN : amide:sc= -1.24! K(o=-1.2!,f=-0.37) USER MOD Single : A 409 TYR OH : rot 130:sc= 0 USER MOD Single : A 416 THR OG1 : rot 23:sc= 0.96 USER MOD Single : A 426 GLN : amide:sc= -2.04! C(o=-2!,f=-12!) USER MOD Single : A 429 TYR OH : rot 180:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -38:sc= 0.457 USER MOD Single : A 445 THR OG1 : rot -115:sc= 1.16 USER MOD Single : A 448 SER OG : rot 180:sc= 0.00436 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 179:sc= -4.57! (180deg=-4.76!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 343 -16.050 0.224 4.441 1.00 0.23 N ATOM 73 CA THR A 343 -15.463 0.741 3.249 1.00 0.19 C ATOM 74 C THR A 343 -14.065 1.217 3.591 1.00 0.13 C ATOM 75 O THR A 343 -13.878 2.063 4.467 1.00 0.16 O ATOM 76 CB THR A 343 -16.303 1.895 2.702 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.630 1.436 2.393 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.663 2.494 1.477 1.00 0.20 C ATOM 0 HA THR A 343 -15.420 -0.031 2.480 1.00 0.19 H new ATOM 0 HB THR A 343 -16.362 2.668 3.468 1.00 0.24 H new ATOM 0 HG1 THR A 343 -17.843 0.655 2.945 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.280 3.313 1.107 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.673 2.872 1.732 1.00 0.20 H new ATOM 0 HG23 THR A 343 -15.572 1.731 0.704 1.00 0.20 H new ATOM 86 N TYR A 344 -13.105 0.671 2.885 1.00 0.10 N ATOM 87 CA TYR A 344 -11.706 0.870 3.166 1.00 0.07 C ATOM 88 C TYR A 344 -10.862 0.536 1.965 1.00 0.06 C ATOM 89 O TYR A 344 -11.360 0.330 0.867 1.00 0.08 O ATOM 90 CB TYR A 344 -11.254 -0.040 4.300 1.00 0.08 C ATOM 91 CG TYR A 344 -11.764 -1.457 4.218 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.157 -2.398 3.403 1.00 0.14 C ATOM 93 CD2 TYR A 344 -12.861 -1.847 4.957 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.635 -3.687 3.325 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.351 -3.134 4.884 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.733 -4.051 4.064 1.00 0.25 C ATOM 97 OH TYR A 344 -13.219 -5.331 3.970 1.00 0.32 O ATOM 0 H TYR A 344 -13.279 0.064 2.084 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.582 1.918 3.438 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.164 -0.062 4.317 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.579 0.394 5.246 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.294 -2.116 2.818 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.345 -1.131 5.605 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.148 -4.408 2.685 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.214 -3.421 5.466 1.00 0.25 H new ATOM 0 HH TYR A 344 -12.536 -5.912 3.576 1.00 0.32 H new ATOM 107 N ILE A 345 -9.566 0.505 2.187 1.00 0.05 N ATOM 108 CA ILE A 345 -8.667 -0.091 1.236 1.00 0.05 C ATOM 109 C ILE A 345 -8.278 -1.454 1.763 1.00 0.05 C ATOM 110 O ILE A 345 -8.376 -1.674 2.954 1.00 0.08 O ATOM 111 CB ILE A 345 -7.397 0.740 1.002 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.725 2.212 0.929 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.762 0.299 -0.301 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.724 2.487 -0.136 1.00 0.07 C ATOM 0 H ILE A 345 -9.116 0.887 3.019 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.181 -0.152 0.277 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.710 0.583 1.833 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.112 2.549 1.890 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.816 2.781 0.734 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.858 0.881 -0.481 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.506 -0.759 -0.241 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.464 0.457 -1.120 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -8.940 3.555 -0.165 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.324 2.172 -1.100 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.641 1.937 0.074 1.00 0.07 H new ATOM 126 N GLU A 346 -7.852 -2.362 0.909 1.00 0.05 N ATOM 127 CA GLU A 346 -7.478 -3.693 1.373 1.00 0.05 C ATOM 128 C GLU A 346 -6.225 -4.157 0.694 1.00 0.05 C ATOM 129 O GLU A 346 -5.873 -3.682 -0.361 1.00 0.06 O ATOM 130 CB GLU A 346 -8.603 -4.688 1.126 1.00 0.06 C ATOM 131 CG GLU A 346 -8.808 -5.592 2.289 1.00 0.07 C ATOM 132 CD GLU A 346 -9.799 -6.717 2.041 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.510 -7.608 1.213 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.868 -6.725 2.693 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.755 -2.212 -0.095 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.295 -3.635 2.446 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.527 -4.148 0.919 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.375 -5.281 0.240 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.848 -6.025 2.571 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.153 -5.001 3.137 1.00 0.07 H new ATOM 141 N VAL A 347 -5.527 -5.029 1.366 1.00 0.05 N ATOM 142 CA VAL A 347 -4.269 -5.553 0.905 1.00 0.05 C ATOM 143 C VAL A 347 -4.068 -6.942 1.437 1.00 0.07 C ATOM 144 O VAL A 347 -4.275 -7.209 2.617 1.00 0.08 O ATOM 145 CB VAL A 347 -3.101 -4.708 1.414 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.789 -5.397 1.109 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.117 -3.323 0.821 1.00 0.06 C ATOM 0 H VAL A 347 -5.821 -5.404 2.268 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.294 -5.544 -0.185 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.209 -4.605 2.494 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.964 -4.787 1.476 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.766 -6.370 1.599 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.690 -5.531 0.032 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.272 -2.752 1.206 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.044 -3.391 -0.264 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -4.047 -2.822 1.091 1.00 0.06 H new ATOM 157 N ASP A 348 -3.635 -7.797 0.564 1.00 0.08 N ATOM 158 CA ASP A 348 -3.253 -9.127 0.932 1.00 0.11 C ATOM 159 C ASP A 348 -1.776 -9.274 0.686 1.00 0.15 C ATOM 160 O ASP A 348 -1.312 -9.094 -0.435 1.00 0.24 O ATOM 161 CB ASP A 348 -4.069 -10.127 0.131 1.00 0.14 C ATOM 162 CG ASP A 348 -3.839 -11.576 0.517 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.694 -11.956 0.811 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.814 -12.354 0.508 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.536 -7.592 -0.430 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.451 -9.319 1.987 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.127 -9.895 0.253 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.835 -10.004 -0.927 1.00 0.14 H new ATOM 169 N LEU A 349 -1.036 -9.526 1.733 1.00 0.13 N ATOM 170 CA LEU A 349 0.396 -9.651 1.627 1.00 0.14 C ATOM 171 C LEU A 349 0.755 -10.945 0.934 1.00 0.20 C ATOM 172 O LEU A 349 1.520 -10.986 -0.022 1.00 0.32 O ATOM 173 CB LEU A 349 1.011 -9.597 3.025 1.00 0.16 C ATOM 174 CG LEU A 349 0.832 -8.287 3.778 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.974 -7.113 2.860 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.502 -8.229 4.452 1.00 0.12 C ATOM 0 H LEU A 349 -1.403 -9.650 2.676 1.00 0.13 H new ATOM 0 HA LEU A 349 0.792 -8.828 1.033 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.579 -10.400 3.623 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.078 -9.802 2.940 1.00 0.16 H new ATOM 0 HG LEU A 349 1.615 -8.243 4.535 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.841 -6.191 3.426 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.966 -7.122 2.408 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.218 -7.170 2.077 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.601 -7.282 4.982 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.291 -8.311 3.705 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.587 -9.052 5.161 1.00 0.12 H new ATOM 188 N GLU A 350 0.128 -11.982 1.429 1.00 0.20 N ATOM 189 CA GLU A 350 0.321 -13.338 0.957 1.00 0.24 C ATOM 190 C GLU A 350 0.098 -13.466 -0.533 1.00 0.22 C ATOM 191 O GLU A 350 0.899 -14.053 -1.252 1.00 0.31 O ATOM 192 CB GLU A 350 -0.672 -14.208 1.657 1.00 0.31 C ATOM 193 CG GLU A 350 -0.240 -14.637 3.030 1.00 0.41 C ATOM 194 CD GLU A 350 0.652 -15.857 2.998 1.00 0.84 C ATOM 195 OE1 GLU A 350 0.123 -16.980 2.859 1.00 1.51 O ATOM 196 OE2 GLU A 350 1.885 -15.701 3.100 1.00 0.96 O1- ATOM 0 H GLU A 350 -0.548 -11.910 2.190 1.00 0.20 H new ATOM 0 HA GLU A 350 1.350 -13.631 1.165 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.619 -13.673 1.735 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.856 -15.095 1.050 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.289 -13.816 3.515 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -1.121 -14.850 3.635 1.00 0.41 H new ATOM 203 N ASN A 351 -1.044 -12.968 -0.956 1.00 0.18 N ATOM 204 CA ASN A 351 -1.498 -13.100 -2.324 1.00 0.19 C ATOM 205 C ASN A 351 -1.310 -11.783 -3.030 1.00 0.21 C ATOM 206 O ASN A 351 -1.883 -11.535 -4.091 1.00 0.35 O ATOM 207 CB ASN A 351 -2.978 -13.499 -2.347 1.00 0.27 C ATOM 208 CG ASN A 351 -3.235 -14.852 -1.719 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.182 -15.884 -2.387 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.540 -14.852 -0.432 1.00 0.39 N ATOM 0 H ASN A 351 -1.689 -12.456 -0.355 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.920 -13.873 -2.830 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.561 -12.743 -1.820 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.330 -13.511 -3.379 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.743 -15.731 0.044 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.573 -13.973 0.084 1.00 0.39 H new ATOM 217 N GLN A 352 -0.476 -10.955 -2.380 1.00 0.12 N ATOM 218 CA GLN A 352 0.014 -9.679 -2.917 1.00 0.11 C ATOM 219 C GLN A 352 -1.014 -8.980 -3.783 1.00 0.11 C ATOM 220 O GLN A 352 -0.828 -8.836 -4.993 1.00 0.18 O ATOM 221 CB GLN A 352 1.282 -9.886 -3.728 1.00 0.18 C ATOM 222 CG GLN A 352 2.473 -10.427 -2.943 1.00 0.30 C ATOM 223 CD GLN A 352 3.263 -9.351 -2.238 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.263 -8.869 -2.760 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.833 -8.973 -1.047 1.00 1.92 N ATOM 0 H GLN A 352 -0.117 -11.160 -1.447 1.00 0.12 H new ATOM 0 HA GLN A 352 0.221 -9.045 -2.055 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.063 -10.573 -4.545 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.566 -8.935 -4.178 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.117 -11.148 -2.207 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.133 -10.966 -3.623 1.00 0.30 H new ATOM 0 HE21 GLN A 352 1.996 -9.399 -0.648 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.338 -8.255 -0.527 1.00 1.92 H new ATOM 234 N HIS A 353 -2.063 -8.505 -3.151 1.00 0.07 N ATOM 235 CA HIS A 353 -3.174 -7.884 -3.864 1.00 0.07 C ATOM 236 C HIS A 353 -3.822 -6.828 -2.978 1.00 0.06 C ATOM 237 O HIS A 353 -4.199 -7.097 -1.853 1.00 0.07 O ATOM 238 CB HIS A 353 -4.211 -8.942 -4.224 1.00 0.08 C ATOM 239 CG HIS A 353 -5.073 -8.562 -5.390 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.806 -8.922 -6.692 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.207 -7.838 -5.435 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.745 -8.426 -7.481 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.608 -7.767 -6.743 1.00 0.13 N ATOM 0 H HIS A 353 -2.177 -8.534 -2.138 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.798 -7.418 -4.775 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.700 -9.878 -4.450 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.846 -9.126 -3.358 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -4.011 -9.482 -6.999 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.711 -7.392 -4.590 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.794 -8.544 -8.553 1.00 0.13 H new ATOM 252 N MET A 354 -3.916 -5.629 -3.492 1.00 0.05 N ATOM 253 CA MET A 354 -4.503 -4.519 -2.790 1.00 0.05 C ATOM 254 C MET A 354 -5.804 -4.108 -3.448 1.00 0.04 C ATOM 255 O MET A 354 -5.875 -3.903 -4.658 1.00 0.05 O ATOM 256 CB MET A 354 -3.511 -3.371 -2.791 1.00 0.05 C ATOM 257 CG MET A 354 -4.039 -2.144 -2.099 1.00 0.06 C ATOM 258 SD MET A 354 -3.679 -0.643 -2.987 1.00 0.06 S ATOM 259 CE MET A 354 -4.664 -1.016 -4.399 1.00 0.06 C ATOM 0 H MET A 354 -3.581 -5.393 -4.426 1.00 0.05 H new ATOM 0 HA MET A 354 -4.729 -4.804 -1.763 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.591 -3.691 -2.302 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.254 -3.120 -3.820 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.118 -2.238 -1.975 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.608 -2.082 -1.100 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.527 -0.241 -5.153 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.362 -1.980 -4.809 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.714 -1.058 -4.109 1.00 0.06 H new ATOM 269 N TRP A 355 -6.828 -4.019 -2.623 1.00 0.05 N ATOM 270 CA TRP A 355 -8.161 -3.683 -3.058 1.00 0.05 C ATOM 271 C TRP A 355 -8.596 -2.348 -2.528 1.00 0.05 C ATOM 272 O TRP A 355 -7.955 -1.774 -1.678 1.00 0.05 O ATOM 273 CB TRP A 355 -9.183 -4.694 -2.567 1.00 0.06 C ATOM 274 CG TRP A 355 -9.038 -6.054 -3.121 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.610 -6.514 -4.250 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.305 -7.135 -2.557 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.273 -7.815 -4.454 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.468 -8.232 -3.414 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.521 -7.276 -1.414 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.867 -9.466 -3.156 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.931 -8.486 -1.159 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.104 -9.572 -2.026 1.00 0.10 C ATOM 0 H TRP A 355 -6.752 -4.181 -1.619 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.119 -3.673 -4.147 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.119 -4.753 -1.480 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.180 -4.325 -2.808 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.246 -5.932 -4.901 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.567 -8.388 -5.245 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.380 -6.444 -0.739 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -8.000 -10.305 -3.823 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.322 -8.604 -0.275 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.625 -10.513 -1.798 1.00 0.10 H new ATOM 293 N TYR A 356 -9.720 -1.903 -3.016 1.00 0.06 N ATOM 294 CA TYR A 356 -10.462 -0.835 -2.414 1.00 0.06 C ATOM 295 C TYR A 356 -11.812 -1.393 -2.121 1.00 0.06 C ATOM 296 O TYR A 356 -12.510 -1.832 -3.012 1.00 0.07 O ATOM 297 CB TYR A 356 -10.559 0.359 -3.330 1.00 0.06 C ATOM 298 CG TYR A 356 -11.392 1.502 -2.742 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.750 1.366 -2.548 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.814 2.703 -2.352 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.500 2.378 -1.989 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.561 3.717 -1.787 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.911 3.613 -1.745 1.00 0.13 C ATOM 304 OH TYR A 356 -13.654 4.554 -1.041 1.00 0.20 O ATOM 0 H TYR A 356 -10.153 -2.281 -3.859 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.969 -0.478 -1.510 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.555 0.724 -3.549 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -10.998 0.048 -4.278 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.236 0.447 -2.840 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.753 2.847 -2.494 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.538 2.213 -1.742 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.071 4.589 -1.380 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.128 5.374 -0.936 1.00 0.20 H new ATOM 314 N TYR A 357 -12.149 -1.462 -0.873 1.00 0.09 N ATOM 315 CA TYR A 357 -13.434 -1.960 -0.510 1.00 0.11 C ATOM 316 C TYR A 357 -14.372 -0.838 -0.188 1.00 0.12 C ATOM 317 O TYR A 357 -14.058 0.062 0.570 1.00 0.14 O ATOM 318 CB TYR A 357 -13.385 -2.918 0.670 1.00 0.12 C ATOM 319 CG TYR A 357 -12.995 -4.315 0.296 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.708 -4.590 -0.107 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.913 -5.357 0.339 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.332 -5.858 -0.460 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.541 -6.639 -0.011 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.248 -6.884 -0.413 1.00 0.14 C ATOM 325 OH TYR A 357 -11.864 -8.159 -0.761 1.00 0.18 O ATOM 0 H TYR A 357 -11.555 -1.181 -0.093 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.796 -2.512 -1.377 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.677 -2.537 1.406 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.363 -2.940 1.150 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.982 -3.791 -0.145 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.929 -5.162 0.650 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.318 -6.053 -0.775 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.260 -7.444 0.030 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.042 -8.395 -0.283 1.00 0.18 H new ATOM 335 N LYS A 358 -15.518 -0.922 -0.771 1.00 0.12 N ATOM 336 CA LYS A 358 -16.587 -0.044 -0.518 1.00 0.14 C ATOM 337 C LYS A 358 -17.862 -0.790 -0.675 1.00 0.17 C ATOM 338 O LYS A 358 -18.023 -1.611 -1.575 1.00 0.19 O ATOM 339 CB LYS A 358 -16.532 1.137 -1.410 1.00 0.18 C ATOM 340 CG LYS A 358 -17.821 1.779 -1.524 1.00 0.24 C ATOM 341 CD LYS A 358 -17.611 3.230 -1.507 1.00 0.28 C ATOM 342 CE LYS A 358 -17.223 3.692 -2.867 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.585 5.109 -3.135 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.736 -1.637 -1.465 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.517 0.334 0.502 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.803 1.850 -1.026 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.189 0.831 -2.398 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.316 1.477 -2.447 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.470 1.479 -0.701 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.521 3.736 -1.186 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -16.833 3.487 -0.788 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.147 3.570 -2.991 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.704 3.055 -3.610 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -17.288 5.367 -4.098 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.615 5.227 -3.047 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.106 5.726 -2.448 1.00 0.47 H new ATOM 357 N ASP A 359 -18.743 -0.510 0.262 1.00 0.23 N ATOM 358 CA ASP A 359 -20.055 -1.099 0.305 1.00 0.30 C ATOM 359 C ASP A 359 -19.910 -2.546 0.654 1.00 0.27 C ATOM 360 O ASP A 359 -20.813 -3.360 0.482 1.00 0.33 O ATOM 361 CB ASP A 359 -20.756 -0.913 -1.029 1.00 0.34 C ATOM 362 CG ASP A 359 -22.256 -0.737 -0.889 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.693 0.359 -0.481 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -23.006 -1.693 -1.183 1.00 0.60 O ATOM 0 H ASP A 359 -18.561 0.143 1.024 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.669 -0.610 1.062 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.339 -0.042 -1.534 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.554 -1.776 -1.663 1.00 0.34 H new ATOM 369 N GLY A 360 -18.732 -2.816 1.199 1.00 0.22 N ATOM 370 CA GLY A 360 -18.366 -4.130 1.614 1.00 0.21 C ATOM 371 C GLY A 360 -17.983 -4.995 0.452 1.00 0.19 C ATOM 372 O GLY A 360 -17.989 -6.224 0.518 1.00 0.23 O ATOM 0 H GLY A 360 -18.010 -2.113 1.359 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.532 -4.071 2.313 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.199 -4.587 2.149 1.00 0.21 H new ATOM 376 N LYS A 361 -17.621 -4.311 -0.589 1.00 0.16 N ATOM 377 CA LYS A 361 -17.437 -4.846 -1.891 1.00 0.17 C ATOM 378 C LYS A 361 -16.210 -4.180 -2.465 1.00 0.13 C ATOM 379 O LYS A 361 -15.749 -3.193 -1.920 1.00 0.15 O ATOM 380 CB LYS A 361 -18.712 -4.508 -2.652 1.00 0.22 C ATOM 381 CG LYS A 361 -18.555 -4.177 -4.106 1.00 0.32 C ATOM 382 CD LYS A 361 -18.912 -5.328 -5.009 1.00 0.55 C ATOM 383 CE LYS A 361 -18.267 -6.592 -4.544 1.00 0.52 C ATOM 384 NZ LYS A 361 -18.481 -7.724 -5.480 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.437 -3.309 -0.544 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.277 -5.924 -1.930 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.395 -5.353 -2.566 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.189 -3.661 -2.159 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -19.185 -3.322 -4.349 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.524 -3.878 -4.297 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.994 -5.455 -5.032 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.595 -5.107 -6.028 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -17.197 -6.425 -4.421 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.663 -6.857 -3.564 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -18.013 -8.575 -5.108 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -19.500 -7.905 -5.579 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -18.080 -7.486 -6.410 1.00 0.68 H new ATOM 398 N VAL A 362 -15.659 -4.694 -3.523 1.00 0.10 N ATOM 399 CA VAL A 362 -14.461 -4.119 -4.049 1.00 0.09 C ATOM 400 C VAL A 362 -14.750 -3.145 -5.124 1.00 0.09 C ATOM 401 O VAL A 362 -15.532 -3.365 -6.049 1.00 0.11 O ATOM 402 CB VAL A 362 -13.500 -5.175 -4.569 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.358 -4.582 -5.333 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.984 -6.000 -3.425 1.00 0.52 C ATOM 0 H VAL A 362 -16.016 -5.502 -4.034 1.00 0.10 H new ATOM 0 HA VAL A 362 -13.985 -3.599 -3.218 1.00 0.09 H new ATOM 0 HB VAL A 362 -14.054 -5.808 -5.262 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.701 -5.379 -5.682 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.742 -4.027 -6.189 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -11.798 -3.908 -4.685 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.295 -6.756 -3.803 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -12.463 -5.355 -2.718 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.819 -6.489 -2.923 1.00 0.52 H new ATOM 414 N ALA A 363 -14.098 -2.060 -4.945 1.00 0.09 N ATOM 415 CA ALA A 363 -14.115 -0.995 -5.850 1.00 0.10 C ATOM 416 C ALA A 363 -12.895 -1.043 -6.714 1.00 0.10 C ATOM 417 O ALA A 363 -12.893 -0.590 -7.858 1.00 0.12 O ATOM 418 CB ALA A 363 -14.096 0.262 -5.050 1.00 0.11 C ATOM 0 H ALA A 363 -13.515 -1.890 -4.126 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.998 -1.047 -6.487 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.108 1.121 -5.721 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.972 0.295 -4.403 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.193 0.291 -4.440 1.00 0.11 H new ATOM 424 N LEU A 364 -11.848 -1.608 -6.147 1.00 0.08 N ATOM 425 CA LEU A 364 -10.565 -1.551 -6.772 1.00 0.07 C ATOM 426 C LEU A 364 -9.745 -2.744 -6.354 1.00 0.06 C ATOM 427 O LEU A 364 -9.882 -3.235 -5.249 1.00 0.08 O ATOM 428 CB LEU A 364 -9.836 -0.268 -6.427 1.00 0.06 C ATOM 429 CG LEU A 364 -8.882 0.159 -7.515 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.563 1.012 -8.549 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.687 0.880 -6.982 1.00 0.06 C ATOM 0 H LEU A 364 -11.871 -2.107 -5.258 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.710 -1.568 -7.852 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.563 0.525 -6.253 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.285 -0.405 -5.497 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.539 -0.763 -7.984 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.843 1.299 -9.315 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.376 0.449 -9.008 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.965 1.907 -8.075 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -7.035 1.164 -7.808 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -8.009 1.775 -6.450 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.144 0.228 -6.298 1.00 0.06 H new ATOM 443 N GLU A 365 -8.891 -3.191 -7.229 1.00 0.07 N ATOM 444 CA GLU A 365 -8.162 -4.436 -7.023 1.00 0.07 C ATOM 445 C GLU A 365 -6.929 -4.454 -7.865 1.00 0.07 C ATOM 446 O GLU A 365 -6.996 -4.287 -9.082 1.00 0.09 O ATOM 447 CB GLU A 365 -8.982 -5.666 -7.391 1.00 0.09 C ATOM 448 CG GLU A 365 -10.291 -5.343 -8.067 1.00 0.22 C ATOM 449 CD GLU A 365 -10.557 -6.212 -9.272 1.00 0.26 C ATOM 450 OE1 GLU A 365 -10.960 -7.379 -9.093 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.370 -5.732 -10.408 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.672 -2.715 -8.104 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.923 -4.475 -5.960 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.391 -6.302 -8.050 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.182 -6.242 -6.487 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.104 -5.464 -7.351 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.288 -4.297 -8.373 1.00 0.22 H new ATOM 458 N THR A 366 -5.803 -4.621 -7.236 1.00 0.06 N ATOM 459 CA THR A 366 -4.601 -4.803 -7.969 1.00 0.06 C ATOM 460 C THR A 366 -3.618 -5.673 -7.242 1.00 0.06 C ATOM 461 O THR A 366 -3.751 -5.968 -6.064 1.00 0.07 O ATOM 462 CB THR A 366 -4.002 -3.451 -8.313 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.765 -3.597 -8.992 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.818 -2.649 -7.058 1.00 0.07 C ATOM 0 H THR A 366 -5.699 -4.634 -6.221 1.00 0.06 H new ATOM 0 HA THR A 366 -4.843 -5.327 -8.894 1.00 0.06 H new ATOM 0 HB THR A 366 -4.687 -2.927 -8.980 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.925 -3.954 -9.890 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.388 -1.679 -7.306 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.784 -2.505 -6.574 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.149 -3.180 -6.382 1.00 0.07 H new ATOM 472 N ASP A 367 -2.649 -6.069 -7.994 1.00 0.07 N ATOM 473 CA ASP A 367 -1.551 -6.846 -7.557 1.00 0.10 C ATOM 474 C ASP A 367 -0.518 -5.902 -7.023 1.00 0.10 C ATOM 475 O ASP A 367 -0.369 -4.789 -7.529 1.00 0.11 O ATOM 476 CB ASP A 367 -1.028 -7.636 -8.748 1.00 0.15 C ATOM 477 CG ASP A 367 -0.936 -6.839 -10.051 1.00 1.14 C ATOM 478 OD1 ASP A 367 -1.929 -6.181 -10.434 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.105 -6.916 -10.730 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.604 -5.843 -8.988 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.825 -7.551 -6.772 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.039 -8.023 -8.504 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.677 -8.497 -8.909 1.00 0.15 H new ATOM 484 N ILE A 368 0.119 -6.310 -5.953 1.00 0.09 N ATOM 485 CA ILE A 368 1.069 -5.462 -5.264 1.00 0.09 C ATOM 486 C ILE A 368 2.251 -6.242 -4.736 1.00 0.09 C ATOM 487 O ILE A 368 2.406 -7.427 -5.012 1.00 0.11 O ATOM 488 CB ILE A 368 0.412 -4.741 -4.093 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.289 -5.762 -3.216 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.536 -3.667 -4.591 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.467 -6.080 -1.953 1.00 0.11 C ATOM 0 H ILE A 368 -0.003 -7.232 -5.535 1.00 0.09 H new ATOM 0 HA ILE A 368 1.420 -4.740 -6.001 1.00 0.09 H new ATOM 0 HB ILE A 368 1.169 -4.236 -3.494 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.279 -5.388 -2.955 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.435 -6.680 -3.785 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.995 -3.164 -3.740 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.017 -2.941 -5.187 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.313 -4.123 -5.205 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.089 -6.816 -1.372 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.447 -6.483 -2.207 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.590 -5.171 -1.364 1.00 0.11 H new ATOM 503 N VAL A 369 3.066 -5.559 -3.957 1.00 0.09 N ATOM 504 CA VAL A 369 4.200 -6.164 -3.292 1.00 0.09 C ATOM 505 C VAL A 369 4.601 -5.315 -2.099 1.00 0.09 C ATOM 506 O VAL A 369 4.901 -4.130 -2.226 1.00 0.11 O ATOM 507 CB VAL A 369 5.397 -6.439 -4.241 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.381 -5.531 -5.445 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.717 -6.305 -3.512 1.00 0.12 C ATOM 0 H VAL A 369 2.958 -4.563 -3.767 1.00 0.09 H new ATOM 0 HA VAL A 369 3.890 -7.148 -2.941 1.00 0.09 H new ATOM 0 HB VAL A 369 5.290 -7.466 -4.590 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.236 -5.757 -6.083 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.459 -5.686 -6.005 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.437 -4.493 -5.118 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.536 -6.503 -4.203 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.813 -5.294 -3.116 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.754 -7.021 -2.691 1.00 0.12 H new ATOM 519 N SER A 370 4.539 -5.928 -0.934 1.00 0.09 N ATOM 520 CA SER A 370 4.632 -5.206 0.315 1.00 0.10 C ATOM 521 C SER A 370 5.414 -5.965 1.372 1.00 0.10 C ATOM 522 O SER A 370 5.305 -7.182 1.481 1.00 0.10 O ATOM 523 CB SER A 370 3.235 -4.964 0.826 1.00 0.12 C ATOM 524 OG SER A 370 3.258 -4.565 2.172 1.00 0.70 O ATOM 0 H SER A 370 4.423 -6.936 -0.828 1.00 0.09 H new ATOM 0 HA SER A 370 5.162 -4.273 0.124 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.750 -4.196 0.223 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.642 -5.873 0.722 1.00 0.12 H new ATOM 0 HG SER A 370 3.934 -3.867 2.295 1.00 0.70 H new ATOM 530 N GLY A 371 6.149 -5.220 2.177 1.00 0.09 N ATOM 531 CA GLY A 371 6.643 -5.750 3.425 1.00 0.10 C ATOM 532 C GLY A 371 7.793 -6.743 3.341 1.00 0.11 C ATOM 533 O GLY A 371 7.716 -7.778 3.991 1.00 0.13 O ATOM 0 H GLY A 371 6.413 -4.253 1.987 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.961 -4.913 4.047 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.813 -6.234 3.941 1.00 0.10 H new ATOM 537 N LYS A 372 8.826 -6.470 2.536 1.00 0.11 N ATOM 538 CA LYS A 372 9.904 -7.411 2.307 1.00 0.14 C ATOM 539 C LYS A 372 10.391 -7.969 3.623 1.00 0.16 C ATOM 540 O LYS A 372 10.435 -7.257 4.615 1.00 0.19 O ATOM 541 CB LYS A 372 11.033 -6.717 1.578 1.00 0.17 C ATOM 542 CG LYS A 372 11.678 -5.604 2.349 1.00 0.22 C ATOM 543 CD LYS A 372 13.084 -5.963 2.634 1.00 0.30 C ATOM 544 CE LYS A 372 14.049 -5.162 1.788 1.00 0.47 C ATOM 545 NZ LYS A 372 15.463 -5.581 1.979 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.929 -5.590 2.031 1.00 0.11 H new ATOM 0 HA LYS A 372 9.541 -8.237 1.695 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.794 -7.455 1.325 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.651 -6.318 0.638 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.635 -4.677 1.777 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.138 -5.430 3.280 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.297 -5.792 3.689 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.233 -7.027 2.447 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.781 -5.270 0.737 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.951 -4.105 2.035 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 16.081 -5.001 1.377 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.731 -5.453 2.976 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.567 -6.582 1.718 1.00 0.48 H new ATOM 559 N PRO A 373 10.743 -9.246 3.609 1.00 0.18 N ATOM 560 CA PRO A 373 11.050 -10.072 4.786 1.00 0.20 C ATOM 561 C PRO A 373 11.709 -9.353 5.975 1.00 0.20 C ATOM 562 O PRO A 373 11.481 -9.715 7.132 1.00 0.22 O ATOM 563 CB PRO A 373 11.980 -11.077 4.158 1.00 0.23 C ATOM 564 CG PRO A 373 11.276 -11.384 2.900 1.00 0.22 C ATOM 565 CD PRO A 373 10.881 -10.037 2.380 1.00 0.19 C ATOM 0 HA PRO A 373 10.151 -10.461 5.263 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.973 -10.663 3.982 1.00 0.23 H new ATOM 0 HB3 PRO A 373 12.110 -11.961 4.782 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.922 -11.911 2.198 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.406 -12.018 3.072 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.637 -9.622 1.714 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.948 -10.077 1.817 1.00 0.19 H new ATOM 573 N THR A 374 12.506 -8.334 5.697 1.00 0.20 N ATOM 574 CA THR A 374 13.229 -7.623 6.731 1.00 0.23 C ATOM 575 C THR A 374 12.340 -6.585 7.409 1.00 0.20 C ATOM 576 O THR A 374 12.469 -6.317 8.607 1.00 0.23 O ATOM 577 CB THR A 374 14.451 -6.925 6.126 1.00 0.28 C ATOM 578 OG1 THR A 374 14.089 -5.642 5.591 1.00 0.28 O ATOM 579 CG2 THR A 374 15.025 -7.767 5.011 1.00 0.30 C ATOM 0 H THR A 374 12.667 -7.981 4.754 1.00 0.20 H new ATOM 0 HA THR A 374 13.549 -8.349 7.479 1.00 0.23 H new ATOM 0 HB THR A 374 15.190 -6.793 6.916 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.882 -5.211 5.211 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.894 -7.264 4.586 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.325 -8.738 5.406 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.271 -7.907 4.236 1.00 0.30 H new ATOM 587 N THR A 375 11.439 -5.999 6.634 1.00 0.18 N ATOM 588 CA THR A 375 10.510 -5.014 7.148 1.00 0.18 C ATOM 589 C THR A 375 9.139 -5.220 6.526 1.00 0.14 C ATOM 590 O THR A 375 8.708 -4.492 5.633 1.00 0.13 O ATOM 591 CB THR A 375 10.984 -3.572 6.920 1.00 0.23 C ATOM 592 OG1 THR A 375 12.375 -3.450 7.255 1.00 0.30 O ATOM 593 CG2 THR A 375 10.168 -2.618 7.774 1.00 0.27 C ATOM 0 H THR A 375 11.335 -6.194 5.638 1.00 0.18 H new ATOM 0 HA THR A 375 10.453 -5.160 8.227 1.00 0.18 H new ATOM 0 HB THR A 375 10.848 -3.320 5.868 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.591 -2.508 7.416 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.510 -1.597 7.607 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.115 -2.697 7.503 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.292 -2.875 8.826 1.00 0.27 H new ATOM 601 N PRO A 376 8.484 -6.268 6.987 1.00 0.13 N ATOM 602 CA PRO A 376 7.170 -6.707 6.533 1.00 0.11 C ATOM 603 C PRO A 376 6.044 -5.799 6.963 1.00 0.11 C ATOM 604 O PRO A 376 6.170 -4.988 7.882 1.00 0.15 O ATOM 605 CB PRO A 376 7.005 -8.059 7.210 1.00 0.14 C ATOM 606 CG PRO A 376 8.366 -8.436 7.599 1.00 0.16 C ATOM 607 CD PRO A 376 9.012 -7.166 7.986 1.00 0.15 C ATOM 0 HA PRO A 376 7.121 -6.722 5.444 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.347 -7.993 8.077 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.567 -8.792 6.533 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.359 -9.145 8.427 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.895 -8.914 6.775 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.745 -6.860 8.997 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.100 -7.229 7.949 1.00 0.15 H new ATOM 615 N THR A 377 4.939 -5.959 6.263 1.00 0.08 N ATOM 616 CA THR A 377 3.724 -5.259 6.559 1.00 0.08 C ATOM 617 C THR A 377 3.077 -5.815 7.820 1.00 0.08 C ATOM 618 O THR A 377 3.213 -6.993 8.147 1.00 0.11 O ATOM 619 CB THR A 377 2.747 -5.395 5.388 1.00 0.09 C ATOM 620 OG1 THR A 377 3.372 -6.156 4.343 1.00 0.12 O ATOM 621 CG2 THR A 377 2.323 -4.043 4.856 1.00 0.11 C ATOM 0 H THR A 377 4.868 -6.589 5.464 1.00 0.08 H new ATOM 0 HA THR A 377 3.964 -4.208 6.719 1.00 0.08 H new ATOM 0 HB THR A 377 1.852 -5.905 5.743 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.598 -5.563 3.597 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.630 -4.180 4.026 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.833 -3.478 5.649 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.200 -3.497 4.510 1.00 0.11 H new ATOM 629 N PRO A 378 2.334 -4.951 8.497 1.00 0.07 N ATOM 630 CA PRO A 378 1.767 -5.190 9.817 1.00 0.07 C ATOM 631 C PRO A 378 0.497 -6.025 9.789 1.00 0.07 C ATOM 632 O PRO A 378 0.375 -6.991 10.541 1.00 0.09 O ATOM 633 CB PRO A 378 1.428 -3.786 10.315 1.00 0.08 C ATOM 634 CG PRO A 378 1.720 -2.844 9.199 1.00 0.09 C ATOM 635 CD PRO A 378 1.967 -3.649 7.986 1.00 0.08 C ATOM 0 HA PRO A 378 2.464 -5.747 10.442 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.380 -3.724 10.608 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.020 -3.536 11.195 1.00 0.08 H new ATOM 0 HG2 PRO A 378 0.882 -2.164 9.043 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.589 -2.230 9.434 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.079 -3.704 7.356 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.764 -3.220 7.378 1.00 0.08 H new ATOM 643 N ALA A 379 -0.440 -5.630 8.930 1.00 0.06 N ATOM 644 CA ALA A 379 -1.737 -6.275 8.818 1.00 0.07 C ATOM 645 C ALA A 379 -2.624 -6.071 10.036 1.00 0.07 C ATOM 646 O ALA A 379 -2.264 -6.392 11.171 1.00 0.09 O ATOM 647 CB ALA A 379 -1.568 -7.722 8.459 1.00 0.08 C ATOM 0 H ALA A 379 -0.315 -4.847 8.289 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.273 -5.784 8.006 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.547 -8.194 8.378 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.047 -7.802 7.505 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.987 -8.223 9.233 1.00 0.08 H new ATOM 653 N GLY A 380 -3.796 -5.515 9.760 1.00 0.08 N ATOM 654 CA GLY A 380 -4.748 -5.187 10.784 1.00 0.10 C ATOM 655 C GLY A 380 -5.799 -4.255 10.252 1.00 0.10 C ATOM 656 O GLY A 380 -6.411 -4.525 9.223 1.00 0.11 O ATOM 0 H GLY A 380 -4.103 -5.283 8.815 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.217 -6.098 11.157 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.237 -4.723 11.628 1.00 0.10 H new ATOM 660 N VAL A 381 -5.978 -3.145 10.933 1.00 0.11 N ATOM 661 CA VAL A 381 -6.926 -2.146 10.531 1.00 0.12 C ATOM 662 C VAL A 381 -6.242 -0.787 10.496 1.00 0.12 C ATOM 663 O VAL A 381 -5.929 -0.182 11.521 1.00 0.21 O ATOM 664 CB VAL A 381 -8.144 -2.159 11.465 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.770 -1.844 12.907 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.236 -1.227 10.957 1.00 0.87 C ATOM 0 H VAL A 381 -5.465 -2.915 11.784 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.293 -2.364 9.528 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.539 -3.175 11.459 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.665 -1.865 13.528 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -7.059 -2.587 13.269 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.317 -0.854 12.957 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -10.086 -1.257 11.639 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.850 -0.209 10.903 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.555 -1.547 9.965 1.00 0.87 H new ATOM 676 N PHE A 382 -5.963 -0.340 9.301 1.00 0.10 N ATOM 677 CA PHE A 382 -5.162 0.844 9.104 1.00 0.10 C ATOM 678 C PHE A 382 -6.052 1.973 8.627 1.00 0.09 C ATOM 679 O PHE A 382 -7.205 1.736 8.284 1.00 0.11 O ATOM 680 CB PHE A 382 -4.088 0.547 8.062 1.00 0.16 C ATOM 681 CG PHE A 382 -3.293 -0.676 8.365 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.172 -0.600 9.170 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.659 -1.895 7.839 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.433 -1.718 9.448 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.921 -3.020 8.114 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.844 -2.950 8.926 1.00 0.10 C ATOM 0 H PHE A 382 -6.282 -0.782 8.439 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.686 1.137 10.040 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.560 0.432 7.086 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.415 1.401 7.991 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.876 0.352 9.584 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.532 -1.967 7.207 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.546 -1.651 10.061 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.204 -3.967 7.678 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.298 -3.848 9.174 1.00 0.10 H new ATOM 696 N TYR A 383 -5.533 3.191 8.602 1.00 0.08 N ATOM 697 CA TYR A 383 -6.287 4.324 8.075 1.00 0.09 C ATOM 698 C TYR A 383 -5.363 5.332 7.461 1.00 0.09 C ATOM 699 O TYR A 383 -4.328 5.649 8.039 1.00 0.11 O ATOM 700 CB TYR A 383 -7.106 5.053 9.139 1.00 0.12 C ATOM 701 CG TYR A 383 -8.083 4.191 9.911 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.275 3.762 9.341 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.808 3.810 11.217 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.162 2.978 10.049 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.690 3.026 11.932 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.865 2.612 11.346 1.00 0.54 C ATOM 707 OH TYR A 383 -10.748 1.838 12.063 1.00 0.69 O ATOM 0 H TYR A 383 -4.598 3.422 8.938 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.967 3.899 7.337 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.419 5.517 9.847 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.660 5.859 8.658 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.511 4.047 8.326 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.888 4.133 11.682 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.084 2.652 9.591 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.460 2.738 12.947 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.385 1.671 12.958 1.00 0.69 H new ATOM 717 N VAL A 384 -5.742 5.871 6.324 1.00 0.09 N ATOM 718 CA VAL A 384 -4.940 6.898 5.717 1.00 0.10 C ATOM 719 C VAL A 384 -5.079 8.194 6.491 1.00 0.11 C ATOM 720 O VAL A 384 -6.185 8.693 6.716 1.00 0.13 O ATOM 721 CB VAL A 384 -5.256 7.106 4.216 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.701 6.815 3.913 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.912 8.516 3.778 1.00 0.14 C ATOM 0 H VAL A 384 -6.587 5.618 5.811 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.903 6.564 5.762 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.639 6.403 3.657 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.889 6.971 2.851 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.926 5.781 4.173 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.336 7.482 4.495 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.144 8.635 2.720 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.495 9.230 4.360 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.850 8.698 3.939 1.00 0.14 H new ATOM 733 N TRP A 385 -3.951 8.713 6.932 1.00 0.12 N ATOM 734 CA TRP A 385 -3.939 9.926 7.715 1.00 0.14 C ATOM 735 C TRP A 385 -3.318 11.073 6.962 1.00 0.16 C ATOM 736 O TRP A 385 -3.119 12.156 7.507 1.00 0.19 O ATOM 737 CB TRP A 385 -3.203 9.735 9.012 1.00 0.16 C ATOM 738 CG TRP A 385 -1.871 9.099 8.835 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.618 7.772 8.741 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.616 9.762 8.729 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.267 7.562 8.596 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.369 8.774 8.591 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.232 11.099 8.744 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.719 9.084 8.469 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.100 11.408 8.622 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.068 10.405 8.487 1.00 0.17 C ATOM 0 H TRP A 385 -3.030 8.310 6.759 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.981 10.166 7.925 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.076 10.703 9.497 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.807 9.121 9.679 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.366 6.994 8.775 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.187 6.653 8.507 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.969 11.881 8.850 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.464 8.309 8.364 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.407 12.443 8.630 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.108 10.680 8.396 1.00 0.17 H new ATOM 757 N ASN A 386 -3.023 10.829 5.712 1.00 0.16 N ATOM 758 CA ASN A 386 -2.516 11.867 4.842 1.00 0.21 C ATOM 759 C ASN A 386 -2.561 11.428 3.392 1.00 0.20 C ATOM 760 O ASN A 386 -2.506 10.245 3.087 1.00 0.18 O ATOM 761 CB ASN A 386 -1.102 12.288 5.226 1.00 0.24 C ATOM 762 CG ASN A 386 -0.714 13.566 4.538 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.957 14.659 5.043 1.00 0.41 O ATOM 764 ND2 ASN A 386 -0.112 13.432 3.380 1.00 0.31 N ATOM 0 H ASN A 386 -3.125 9.916 5.268 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.165 12.734 4.964 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -1.039 12.419 6.306 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.399 11.499 4.959 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.177 14.259 2.857 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.067 12.501 3.003 1.00 0.31 H new ATOM 771 N LYS A 387 -2.713 12.389 2.516 1.00 0.22 N ATOM 772 CA LYS A 387 -2.565 12.168 1.104 1.00 0.22 C ATOM 773 C LYS A 387 -1.316 12.845 0.620 1.00 0.19 C ATOM 774 O LYS A 387 -1.144 14.051 0.766 1.00 0.24 O ATOM 775 CB LYS A 387 -3.751 12.706 0.360 1.00 0.32 C ATOM 776 CG LYS A 387 -4.925 11.799 0.333 1.00 1.09 C ATOM 777 CD LYS A 387 -6.159 12.649 0.384 1.00 0.96 C ATOM 778 CE LYS A 387 -6.116 13.722 -0.670 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.441 13.969 -1.294 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.944 13.351 2.766 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.496 11.096 0.921 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.049 13.652 0.813 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.452 12.923 -0.665 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -4.917 11.190 -0.571 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.898 11.113 1.180 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.041 12.026 0.238 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.251 13.105 1.370 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -5.751 14.648 -0.225 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.403 13.437 -1.443 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.353 14.717 -2.012 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.781 13.095 -1.744 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.118 14.268 -0.564 1.00 0.67 H new ATOM 793 N GLU A 388 -0.443 12.063 0.083 1.00 0.18 N ATOM 794 CA GLU A 388 0.807 12.566 -0.410 1.00 0.18 C ATOM 795 C GLU A 388 1.035 12.265 -1.861 1.00 0.23 C ATOM 796 O GLU A 388 1.224 11.150 -2.285 1.00 0.38 O ATOM 797 CB GLU A 388 1.917 12.040 0.443 1.00 0.16 C ATOM 798 CG GLU A 388 2.519 13.133 1.262 1.00 0.16 C ATOM 799 CD GLU A 388 3.615 12.659 2.192 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.310 12.262 3.335 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.790 12.667 1.778 1.00 0.32 O ATOM 0 H GLU A 388 -0.569 11.057 -0.030 1.00 0.18 H new ATOM 0 HA GLU A 388 0.779 13.654 -0.345 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.538 11.255 1.098 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.683 11.587 -0.187 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.924 13.895 0.595 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.735 13.609 1.851 1.00 0.16 H new ATOM 808 N GLU A 389 1.035 13.310 -2.607 1.00 0.17 N ATOM 809 CA GLU A 389 1.145 13.251 -4.018 1.00 0.19 C ATOM 810 C GLU A 389 2.477 13.751 -4.473 1.00 0.21 C ATOM 811 O GLU A 389 2.952 14.790 -4.001 1.00 0.26 O ATOM 812 CB GLU A 389 0.065 14.113 -4.575 1.00 0.21 C ATOM 813 CG GLU A 389 -1.291 13.739 -4.070 1.00 0.30 C ATOM 814 CD GLU A 389 -1.758 14.581 -2.895 1.00 1.06 C ATOM 815 OE1 GLU A 389 -0.908 15.163 -2.189 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -2.987 14.693 -2.689 1.00 1.18 O ATOM 0 H GLU A 389 0.956 14.259 -2.240 1.00 0.17 H new ATOM 0 HA GLU A 389 1.049 12.221 -4.361 1.00 0.19 H new ATOM 0 HB2 GLU A 389 0.269 15.153 -4.320 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.075 14.043 -5.663 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -2.011 13.834 -4.883 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.282 12.690 -3.773 1.00 0.30 H new ATOM 823 N ASP A 390 3.060 13.025 -5.382 1.00 0.20 N ATOM 824 CA ASP A 390 4.408 13.327 -5.851 1.00 0.19 C ATOM 825 C ASP A 390 5.306 13.442 -4.625 1.00 0.21 C ATOM 826 O ASP A 390 6.191 14.295 -4.504 1.00 0.40 O ATOM 827 CB ASP A 390 4.404 14.613 -6.665 1.00 0.24 C ATOM 828 CG ASP A 390 5.767 14.973 -7.231 1.00 0.26 C ATOM 829 OD1 ASP A 390 6.446 14.078 -7.778 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.175 16.148 -7.114 1.00 0.36 O ATOM 0 H ASP A 390 2.631 12.212 -5.824 1.00 0.20 H new ATOM 0 HA ASP A 390 4.781 12.538 -6.504 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.693 14.513 -7.485 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.052 15.431 -6.036 1.00 0.24 H new ATOM 835 N ALA A 391 4.967 12.594 -3.680 1.00 0.15 N ATOM 836 CA ALA A 391 5.586 12.548 -2.392 1.00 0.16 C ATOM 837 C ALA A 391 6.792 11.658 -2.374 1.00 0.15 C ATOM 838 O ALA A 391 7.073 10.912 -3.308 1.00 0.16 O ATOM 839 CB ALA A 391 4.572 12.073 -1.378 1.00 0.16 C ATOM 0 H ALA A 391 4.229 11.900 -3.799 1.00 0.15 H new ATOM 0 HA ALA A 391 5.929 13.552 -2.143 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.034 12.034 -0.392 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.728 12.763 -1.356 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.221 11.079 -1.653 1.00 0.16 H new ATOM 845 N THR A 392 7.478 11.745 -1.278 1.00 0.16 N ATOM 846 CA THR A 392 8.698 11.030 -1.079 1.00 0.17 C ATOM 847 C THR A 392 8.639 10.264 0.217 1.00 0.16 C ATOM 848 O THR A 392 8.735 10.816 1.319 1.00 0.18 O ATOM 849 CB THR A 392 9.913 11.956 -1.083 1.00 0.20 C ATOM 850 OG1 THR A 392 10.115 12.506 -2.393 1.00 0.27 O ATOM 851 CG2 THR A 392 11.152 11.187 -0.631 1.00 0.22 C ATOM 0 H THR A 392 7.202 12.324 -0.485 1.00 0.16 H new ATOM 0 HA THR A 392 8.812 10.336 -1.912 1.00 0.17 H new ATOM 0 HB THR A 392 9.736 12.777 -0.389 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.895 13.099 -2.382 1.00 0.27 H new ATOM 0 HG21 THR A 392 12.015 11.853 -0.636 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.995 10.804 0.377 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.332 10.355 -1.311 1.00 0.22 H new ATOM 859 N LEU A 393 8.412 8.999 0.045 1.00 0.15 N ATOM 860 CA LEU A 393 8.413 8.036 1.098 1.00 0.16 C ATOM 861 C LEU A 393 9.802 7.750 1.531 1.00 0.17 C ATOM 862 O LEU A 393 10.742 7.967 0.786 1.00 0.18 O ATOM 863 CB LEU A 393 7.790 6.791 0.564 1.00 0.16 C ATOM 864 CG LEU A 393 6.286 6.827 0.489 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.823 7.888 -0.480 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.770 5.492 0.053 1.00 0.24 C ATOM 0 H LEU A 393 8.213 8.595 -0.870 1.00 0.15 H new ATOM 0 HA LEU A 393 7.859 8.413 1.958 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.186 6.601 -0.433 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.090 5.952 1.192 1.00 0.16 H new ATOM 0 HG LEU A 393 5.897 7.066 1.479 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.734 7.896 -0.518 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.182 8.863 -0.150 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.219 7.672 -1.472 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.682 5.522 0.000 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.175 5.249 -0.929 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.077 4.731 0.770 1.00 0.24 H new ATOM 878 N LYS A 394 9.919 7.290 2.741 1.00 0.20 N ATOM 879 CA LYS A 394 11.160 7.054 3.346 1.00 0.24 C ATOM 880 C LYS A 394 10.992 6.001 4.385 1.00 0.30 C ATOM 881 O LYS A 394 9.866 5.662 4.755 1.00 0.38 O ATOM 882 CB LYS A 394 11.614 8.310 3.983 1.00 0.29 C ATOM 883 CG LYS A 394 12.439 9.054 3.041 1.00 0.29 C ATOM 884 CD LYS A 394 11.998 10.459 2.908 1.00 0.61 C ATOM 885 CE LYS A 394 12.432 11.255 4.105 1.00 0.52 C ATOM 886 NZ LYS A 394 12.171 12.706 3.946 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.121 7.068 3.336 1.00 0.20 H new ATOM 0 HA LYS A 394 11.893 6.726 2.609 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.755 8.910 4.285 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.182 8.089 4.887 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.478 9.030 3.371 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.403 8.569 2.066 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.417 10.895 2.001 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.913 10.499 2.809 1.00 0.61 H new ATOM 0 HE2 LYS A 394 11.910 10.890 4.989 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.497 11.097 4.276 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.488 13.211 4.798 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.690 13.063 3.119 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.152 12.863 3.810 1.00 0.67 H new ATOM 1015 N GLU A 404 14.075 5.875 0.428 1.00 0.28 N ATOM 1016 CA GLU A 404 12.976 6.649 -0.111 1.00 0.24 C ATOM 1017 C GLU A 404 12.182 5.879 -1.134 1.00 0.24 C ATOM 1018 O GLU A 404 12.603 4.849 -1.657 1.00 0.31 O ATOM 1019 CB GLU A 404 13.449 7.935 -0.754 1.00 0.27 C ATOM 1020 CG GLU A 404 13.774 9.041 0.201 1.00 0.29 C ATOM 1021 CD GLU A 404 14.908 9.916 -0.276 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.667 10.768 -1.156 1.00 0.45 O ATOM 1023 OE2 GLU A 404 16.037 9.778 0.236 1.00 0.62 O1- ATOM 0 HA GLU A 404 12.340 6.878 0.744 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.335 7.720 -1.351 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.678 8.284 -1.441 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.887 9.656 0.352 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.035 8.613 1.169 1.00 0.29 H new ATOM 1030 N SER A 405 11.009 6.403 -1.370 1.00 0.20 N ATOM 1031 CA SER A 405 10.112 5.932 -2.368 1.00 0.20 C ATOM 1032 C SER A 405 9.499 7.142 -3.067 1.00 0.18 C ATOM 1033 O SER A 405 8.593 7.789 -2.530 1.00 0.23 O ATOM 1034 CB SER A 405 9.052 5.095 -1.665 1.00 0.26 C ATOM 1035 OG SER A 405 7.746 5.421 -2.089 1.00 1.33 O ATOM 0 H SER A 405 10.647 7.200 -0.847 1.00 0.20 H new ATOM 0 HA SER A 405 10.610 5.320 -3.120 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.241 4.039 -1.856 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.130 5.243 -0.588 1.00 0.26 H new ATOM 0 HG SER A 405 7.680 5.310 -3.060 1.00 1.33 H new ATOM 1041 N PRO A 406 10.029 7.511 -4.236 1.00 0.18 N ATOM 1042 CA PRO A 406 9.464 8.568 -5.045 1.00 0.19 C ATOM 1043 C PRO A 406 8.118 8.153 -5.584 1.00 0.17 C ATOM 1044 O PRO A 406 8.011 7.417 -6.563 1.00 0.17 O ATOM 1045 CB PRO A 406 10.477 8.722 -6.172 1.00 0.20 C ATOM 1046 CG PRO A 406 11.084 7.386 -6.269 1.00 0.19 C ATOM 1047 CD PRO A 406 11.209 6.938 -4.854 1.00 0.18 C ATOM 0 HA PRO A 406 9.297 9.494 -4.495 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.998 9.014 -7.106 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.220 9.485 -5.943 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.460 6.706 -6.848 1.00 0.19 H new ATOM 0 HG3 PRO A 406 12.055 7.425 -6.762 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.222 5.851 -4.772 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.126 7.303 -4.393 1.00 0.18 H new ATOM 1055 N VAL A 407 7.112 8.674 -4.965 1.00 0.17 N ATOM 1056 CA VAL A 407 5.776 8.316 -5.219 1.00 0.17 C ATOM 1057 C VAL A 407 5.018 9.498 -5.779 1.00 0.19 C ATOM 1058 O VAL A 407 5.451 10.642 -5.710 1.00 0.30 O ATOM 1059 CB VAL A 407 5.223 7.824 -3.883 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.958 8.534 -3.505 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.103 6.310 -3.873 1.00 0.23 C ATOM 0 H VAL A 407 7.213 9.387 -4.243 1.00 0.17 H new ATOM 0 HA VAL A 407 5.681 7.532 -5.970 1.00 0.17 H new ATOM 0 HB VAL A 407 5.936 8.080 -3.100 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.599 8.154 -2.549 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.152 9.603 -3.420 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.202 8.362 -4.271 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.707 5.983 -2.912 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.430 5.993 -4.670 1.00 0.23 H new ATOM 0 HG23 VAL A 407 6.086 5.866 -4.031 1.00 0.23 H new ATOM 1071 N ASN A 408 3.927 9.171 -6.395 1.00 0.19 N ATOM 1072 CA ASN A 408 3.082 10.091 -7.092 1.00 0.21 C ATOM 1073 C ASN A 408 1.801 10.186 -6.322 1.00 0.19 C ATOM 1074 O ASN A 408 1.161 11.227 -6.248 1.00 0.26 O ATOM 1075 CB ASN A 408 2.856 9.478 -8.449 1.00 0.34 C ATOM 1076 CG ASN A 408 4.165 9.173 -9.101 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.710 9.945 -9.891 1.00 1.84 O ATOM 1078 ND2 ASN A 408 4.676 8.022 -8.743 1.00 1.01 N ATOM 0 H ASN A 408 3.584 8.211 -6.428 1.00 0.19 H new ATOM 0 HA ASN A 408 3.502 11.091 -7.194 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.269 8.565 -8.351 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.281 10.161 -9.074 1.00 0.34 H new ATOM 0 HD21 ASN A 408 5.574 7.722 -9.123 1.00 1.01 H new ATOM 0 HD22 ASN A 408 4.176 7.425 -8.084 1.00 1.01 H new ATOM 1085 N TYR A 409 1.472 9.061 -5.730 1.00 0.15 N ATOM 1086 CA TYR A 409 0.313 8.946 -4.850 1.00 0.15 C ATOM 1087 C TYR A 409 0.664 8.124 -3.626 1.00 0.14 C ATOM 1088 O TYR A 409 0.981 6.939 -3.725 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.869 8.310 -5.556 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.270 9.044 -6.804 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.700 10.358 -6.731 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.196 8.442 -8.049 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.050 11.054 -7.860 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.541 9.133 -9.189 1.00 0.34 C ATOM 1095 CZ TYR A 409 -1.969 10.440 -9.091 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.312 11.134 -10.227 1.00 0.41 O ATOM 0 H TYR A 409 1.996 8.193 -5.840 1.00 0.15 H new ATOM 0 HA TYR A 409 0.031 9.956 -4.552 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.622 7.279 -5.811 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.718 8.275 -4.873 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.761 10.844 -5.768 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.863 7.417 -8.127 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.387 12.077 -7.785 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.477 8.654 -10.155 1.00 0.34 H new ATOM 0 HH TYR A 409 -1.599 11.044 -10.893 1.00 0.41 H new ATOM 1106 N TRP A 410 0.607 8.772 -2.491 1.00 0.13 N ATOM 1107 CA TRP A 410 0.918 8.176 -1.209 1.00 0.11 C ATOM 1108 C TRP A 410 -0.258 8.313 -0.286 1.00 0.10 C ATOM 1109 O TRP A 410 -0.892 9.366 -0.203 1.00 0.12 O ATOM 1110 CB TRP A 410 2.132 8.874 -0.591 1.00 0.12 C ATOM 1111 CG TRP A 410 2.534 8.405 0.771 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.886 9.205 1.805 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.654 7.061 1.246 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.196 8.458 2.902 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.070 7.129 2.587 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.445 5.812 0.675 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.282 5.986 3.360 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.660 4.685 1.431 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.077 4.777 2.764 1.00 0.11 C ATOM 0 H TRP A 410 0.337 9.753 -2.427 1.00 0.13 H new ATOM 0 HA TRP A 410 1.144 7.120 -1.355 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.981 8.746 -1.263 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.924 9.943 -0.539 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.917 10.284 1.766 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.476 8.828 3.810 1.00 0.13 H new ATOM 0 HE3 TRP A 410 2.117 5.728 -0.351 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.596 6.057 4.391 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.505 3.712 0.989 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.240 3.873 3.332 1.00 0.11 H new ATOM 1130 N MET A 411 -0.549 7.245 0.389 1.00 0.09 N ATOM 1131 CA MET A 411 -1.561 7.256 1.395 1.00 0.10 C ATOM 1132 C MET A 411 -1.099 6.505 2.637 1.00 0.09 C ATOM 1133 O MET A 411 -1.349 5.308 2.778 1.00 0.10 O ATOM 1134 CB MET A 411 -2.814 6.649 0.827 1.00 0.12 C ATOM 1135 CG MET A 411 -3.837 7.683 0.423 1.00 0.14 C ATOM 1136 SD MET A 411 -4.711 7.201 -1.069 1.00 0.41 S ATOM 1137 CE MET A 411 -5.073 5.501 -0.669 1.00 0.13 C ATOM 0 H MET A 411 -0.092 6.343 0.257 1.00 0.09 H new ATOM 0 HA MET A 411 -1.764 8.283 1.699 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.556 6.042 -0.041 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.254 5.979 1.566 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.551 7.825 1.234 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.343 8.641 0.262 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.507 5.007 -1.538 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.153 4.991 -0.383 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.780 5.465 0.159 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.393 7.194 3.540 1.00 0.09 N ATOM 1148 CA PRO A 412 0.140 6.590 4.768 1.00 0.09 C ATOM 1149 C PRO A 412 -0.952 6.299 5.765 1.00 0.09 C ATOM 1150 O PRO A 412 -1.916 7.054 5.905 1.00 0.09 O ATOM 1151 CB PRO A 412 1.052 7.686 5.311 1.00 0.10 C ATOM 1152 CG PRO A 412 0.419 8.940 4.842 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.052 8.629 3.453 1.00 0.11 C ATOM 0 HA PRO A 412 0.638 5.638 4.584 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.114 7.652 6.399 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.068 7.585 4.931 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.411 9.230 5.486 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.129 9.767 4.844 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.914 9.234 3.173 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.724 8.817 2.711 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.798 5.172 6.426 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.827 4.644 7.288 1.00 0.10 C ATOM 1163 C ILE A 413 -1.322 4.424 8.696 1.00 0.14 C ATOM 1164 O ILE A 413 -2.103 4.201 9.618 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.352 3.340 6.717 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.281 2.248 6.761 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.790 3.601 5.303 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.613 1.059 5.894 1.00 0.11 C ATOM 0 H ILE A 413 0.044 4.598 6.379 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.632 5.377 7.337 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.192 2.984 7.313 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.328 2.669 6.441 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -1.152 1.915 7.791 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.173 2.679 4.865 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.574 4.358 5.299 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.941 3.955 4.718 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.815 0.320 5.969 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.551 0.615 6.229 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.713 1.381 4.858 1.00 0.11 H new ATOM 1180 N ASP A 414 -0.009 4.424 8.842 1.00 0.15 N ATOM 1181 CA ASP A 414 0.603 4.441 10.162 1.00 0.22 C ATOM 1182 C ASP A 414 1.752 5.429 10.190 1.00 0.21 C ATOM 1183 O ASP A 414 2.159 5.955 9.149 1.00 0.22 O ATOM 1184 CB ASP A 414 1.082 3.052 10.595 1.00 0.31 C ATOM 1185 CG ASP A 414 2.144 2.460 9.696 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.144 3.153 9.442 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 1.961 1.322 9.198 1.00 1.59 O ATOM 0 H ASP A 414 0.654 4.412 8.067 1.00 0.15 H new ATOM 0 HA ASP A 414 -0.161 4.754 10.874 1.00 0.22 H new ATOM 0 HB2 ASP A 414 1.473 3.114 11.610 1.00 0.31 H new ATOM 0 HB3 ASP A 414 0.227 2.377 10.624 1.00 0.31 H new ATOM 1192 N TRP A 415 2.272 5.673 11.379 1.00 0.24 N ATOM 1193 CA TRP A 415 3.348 6.629 11.569 1.00 0.25 C ATOM 1194 C TRP A 415 4.703 5.943 11.639 1.00 0.27 C ATOM 1195 O TRP A 415 5.675 6.543 12.102 1.00 0.31 O ATOM 1196 CB TRP A 415 3.111 7.499 12.802 1.00 0.28 C ATOM 1197 CG TRP A 415 2.073 8.553 12.583 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.296 9.878 12.353 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.653 8.376 12.558 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.103 10.537 12.193 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.079 9.635 12.313 1.00 0.28 C ATOM 1202 CE3 TRP A 415 -0.189 7.275 12.719 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.296 9.819 12.226 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.554 7.467 12.629 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -2.092 8.727 12.385 1.00 0.27 C ATOM 0 H TRP A 415 1.962 5.216 12.237 1.00 0.24 H new ATOM 0 HA TRP A 415 3.354 7.282 10.696 1.00 0.25 H new ATOM 0 HB2 TRP A 415 2.807 6.865 13.634 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.049 7.975 13.090 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.270 10.342 12.304 1.00 0.30 H new ATOM 0 HE1 TRP A 415 0.996 11.535 12.014 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.218 6.293 12.910 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.718 10.795 12.039 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -2.217 6.623 12.750 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -3.164 8.841 12.320 1.00 0.27 H new ATOM 1216 N THR A 416 4.783 4.698 11.201 1.00 0.27 N ATOM 1217 CA THR A 416 6.068 4.025 11.147 1.00 0.32 C ATOM 1218 C THR A 416 6.580 4.080 9.730 1.00 0.30 C ATOM 1219 O THR A 416 7.787 4.109 9.475 1.00 0.35 O ATOM 1220 CB THR A 416 5.994 2.562 11.615 1.00 0.40 C ATOM 1221 OG1 THR A 416 4.841 1.908 11.071 1.00 0.41 O ATOM 1222 CG2 THR A 416 5.958 2.482 13.130 1.00 0.44 C ATOM 0 H THR A 416 3.989 4.142 10.883 1.00 0.27 H new ATOM 0 HA THR A 416 6.745 4.539 11.829 1.00 0.32 H new ATOM 0 HB THR A 416 6.889 2.055 11.254 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.552 2.376 10.260 1.00 0.41 H new ATOM 0 HG21 THR A 416 5.906 1.438 13.438 1.00 0.44 H new ATOM 0 HG22 THR A 416 6.860 2.937 13.540 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.082 3.014 13.502 1.00 0.44 H new ATOM 1230 N GLY A 417 5.636 4.146 8.814 1.00 0.24 N ATOM 1231 CA GLY A 417 5.963 4.386 7.441 1.00 0.24 C ATOM 1232 C GLY A 417 5.285 3.448 6.480 1.00 0.19 C ATOM 1233 O GLY A 417 5.805 3.185 5.396 1.00 0.20 O ATOM 0 H GLY A 417 4.640 4.036 9.004 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.691 5.410 7.187 1.00 0.24 H new ATOM 0 HA3 GLY A 417 7.042 4.302 7.315 1.00 0.24 H new ATOM 1237 N VAL A 418 4.140 2.920 6.870 1.00 0.15 N ATOM 1238 CA VAL A 418 3.370 2.091 5.970 1.00 0.11 C ATOM 1239 C VAL A 418 2.148 2.819 5.425 1.00 0.09 C ATOM 1240 O VAL A 418 1.600 3.726 6.060 1.00 0.09 O ATOM 1241 CB VAL A 418 2.966 0.758 6.631 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.001 -0.037 5.767 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.209 -0.053 6.888 1.00 0.17 C ATOM 0 H VAL A 418 3.728 3.050 7.794 1.00 0.15 H new ATOM 0 HA VAL A 418 4.019 1.863 5.124 1.00 0.11 H new ATOM 0 HB VAL A 418 2.454 0.981 7.567 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.743 -0.968 6.272 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.096 0.547 5.600 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.470 -0.261 4.809 1.00 0.14 H new ATOM 0 HG21 VAL A 418 3.936 -0.999 7.356 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.718 -0.248 5.944 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.874 0.501 7.551 1.00 0.17 H new ATOM 1253 N GLY A 419 1.739 2.405 4.237 1.00 0.10 N ATOM 1254 CA GLY A 419 0.584 2.981 3.583 1.00 0.08 C ATOM 1255 C GLY A 419 0.409 2.422 2.191 1.00 0.08 C ATOM 1256 O GLY A 419 1.072 1.446 1.829 1.00 0.09 O ATOM 0 H GLY A 419 2.197 1.665 3.705 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.310 2.780 4.174 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.695 4.064 3.531 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.458 3.038 1.401 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.645 2.631 0.034 1.00 0.09 C ATOM 1262 C ILE A 420 0.060 3.623 -0.883 1.00 0.07 C ATOM 1263 O ILE A 420 0.048 4.824 -0.615 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.150 2.560 -0.310 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.576 1.127 -0.576 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.469 3.397 -1.513 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.751 0.273 0.657 1.00 0.11 C ATOM 0 H ILE A 420 -1.040 3.823 1.693 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.219 1.638 -0.107 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.697 2.947 0.550 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.516 1.140 -1.127 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.834 0.658 -1.222 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.535 3.328 -1.732 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.206 4.436 -1.314 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.899 3.036 -2.369 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.056 -0.732 0.364 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.808 0.222 1.201 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.516 0.712 1.298 1.00 0.11 H new ATOM 1279 N HIS A 421 0.676 3.138 -1.946 1.00 0.07 N ATOM 1280 CA HIS A 421 1.328 4.032 -2.892 1.00 0.07 C ATOM 1281 C HIS A 421 1.332 3.464 -4.284 1.00 0.09 C ATOM 1282 O HIS A 421 1.115 2.281 -4.496 1.00 0.11 O ATOM 1283 CB HIS A 421 2.779 4.316 -2.523 1.00 0.09 C ATOM 1284 CG HIS A 421 3.659 3.114 -2.486 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.194 2.531 -3.611 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.138 2.423 -1.434 1.00 0.13 C ATOM 1287 CE1 HIS A 421 4.992 1.526 -3.208 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.988 1.419 -1.893 1.00 0.15 N ATOM 0 H HIS A 421 0.740 2.146 -2.176 1.00 0.07 H new ATOM 0 HA HIS A 421 0.748 4.954 -2.853 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.189 5.028 -3.239 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.803 4.798 -1.545 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.901 2.617 -0.398 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.560 0.891 -3.872 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.501 0.741 -1.329 1.00 0.15 H new ATOM 1296 N ASP A 422 1.620 4.342 -5.219 1.00 0.11 N ATOM 1297 CA ASP A 422 1.843 3.990 -6.580 1.00 0.14 C ATOM 1298 C ASP A 422 3.326 3.790 -6.750 1.00 0.19 C ATOM 1299 O ASP A 422 4.127 4.479 -6.120 1.00 0.29 O ATOM 1300 CB ASP A 422 1.339 5.122 -7.461 1.00 0.20 C ATOM 1301 CG ASP A 422 2.417 6.071 -7.916 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.935 6.837 -7.078 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 2.770 6.031 -9.114 1.00 0.42 O ATOM 0 H ASP A 422 1.705 5.342 -5.037 1.00 0.11 H new ATOM 0 HA ASP A 422 1.316 3.078 -6.860 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.850 4.696 -8.337 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.581 5.684 -6.915 1.00 0.20 H new ATOM 1308 N SER A 423 3.705 2.837 -7.543 1.00 0.15 N ATOM 1309 CA SER A 423 5.103 2.556 -7.693 1.00 0.19 C ATOM 1310 C SER A 423 5.434 2.351 -9.126 1.00 0.15 C ATOM 1311 O SER A 423 5.102 1.349 -9.750 1.00 0.16 O ATOM 1312 CB SER A 423 5.475 1.323 -6.897 1.00 0.26 C ATOM 1313 OG SER A 423 6.792 1.422 -6.418 1.00 1.48 O ATOM 0 H SER A 423 3.079 2.247 -8.090 1.00 0.15 H new ATOM 0 HA SER A 423 5.672 3.406 -7.317 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.786 1.202 -6.061 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.376 0.436 -7.523 1.00 0.26 H new ATOM 0 HG SER A 423 6.837 2.113 -5.725 1.00 1.48 H new ATOM 1319 N ASP A 424 6.056 3.368 -9.639 1.00 0.13 N ATOM 1320 CA ASP A 424 6.491 3.383 -11.002 1.00 0.13 C ATOM 1321 C ASP A 424 7.945 2.940 -11.124 1.00 0.12 C ATOM 1322 O ASP A 424 8.379 2.424 -12.151 1.00 0.15 O ATOM 1323 CB ASP A 424 6.228 4.758 -11.547 1.00 0.15 C ATOM 1324 CG ASP A 424 6.992 5.066 -12.816 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.627 4.526 -13.884 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.955 5.859 -12.756 1.00 0.35 O1- ATOM 0 H ASP A 424 6.278 4.217 -9.120 1.00 0.13 H new ATOM 0 HA ASP A 424 5.934 2.662 -11.600 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.161 4.864 -11.741 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.489 5.496 -10.788 1.00 0.15 H new ATOM 1331 N TRP A 425 8.693 3.181 -10.036 1.00 0.12 N ATOM 1332 CA TRP A 425 10.082 2.716 -9.905 1.00 0.14 C ATOM 1333 C TRP A 425 10.083 1.217 -9.770 1.00 0.15 C ATOM 1334 O TRP A 425 11.077 0.535 -10.020 1.00 0.18 O ATOM 1335 CB TRP A 425 10.740 3.311 -8.652 1.00 0.14 C ATOM 1336 CG TRP A 425 10.308 2.700 -7.358 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.725 1.537 -6.793 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.378 3.262 -6.463 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.101 1.348 -5.585 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.266 2.405 -5.361 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.631 4.417 -6.500 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.423 2.684 -4.295 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.805 4.701 -5.455 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.698 3.841 -4.360 1.00 0.15 C ATOM 0 H TRP A 425 8.354 3.701 -9.227 1.00 0.12 H new ATOM 0 HA TRP A 425 10.639 3.032 -10.787 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.821 3.205 -8.743 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.526 4.379 -8.621 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.443 0.859 -7.231 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.238 0.553 -4.961 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.699 5.087 -7.344 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.343 2.016 -3.450 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.221 5.609 -5.474 1.00 0.16 H new ATOM 0 HH2 TRP A 425 7.030 4.095 -3.550 1.00 0.15 H new ATOM 1355 N GLN A 426 8.956 0.745 -9.294 1.00 0.15 N ATOM 1356 CA GLN A 426 8.740 -0.649 -9.011 1.00 0.17 C ATOM 1357 C GLN A 426 7.615 -1.133 -9.857 1.00 0.18 C ATOM 1358 O GLN A 426 6.448 -0.932 -9.556 1.00 0.28 O ATOM 1359 CB GLN A 426 8.417 -0.831 -7.573 1.00 0.18 C ATOM 1360 CG GLN A 426 9.348 -1.738 -6.811 1.00 0.58 C ATOM 1361 CD GLN A 426 9.344 -3.124 -7.382 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.208 -3.475 -8.179 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.317 -3.891 -7.052 1.00 0.22 N ATOM 0 H GLN A 426 8.148 1.333 -9.089 1.00 0.15 H new ATOM 0 HA GLN A 426 9.642 -1.220 -9.234 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.416 0.147 -7.092 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.405 -1.227 -7.493 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.359 -1.333 -6.841 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.049 -1.773 -5.763 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.623 -3.555 -6.384 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.219 -4.818 -7.466 1.00 0.22 H new ATOM 1372 N PRO A 427 7.969 -1.779 -10.907 1.00 0.16 N ATOM 1373 CA PRO A 427 7.049 -2.203 -11.902 1.00 0.18 C ATOM 1374 C PRO A 427 6.427 -3.576 -11.658 1.00 0.16 C ATOM 1375 O PRO A 427 5.639 -4.054 -12.469 1.00 0.18 O ATOM 1376 CB PRO A 427 7.956 -2.222 -13.107 1.00 0.23 C ATOM 1377 CG PRO A 427 9.198 -2.770 -12.557 1.00 0.23 C ATOM 1378 CD PRO A 427 9.334 -2.085 -11.256 1.00 0.19 C ATOM 0 HA PRO A 427 6.169 -1.562 -11.966 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.556 -2.845 -13.907 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.101 -1.225 -13.522 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.140 -3.852 -12.436 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.049 -2.567 -13.208 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.808 -2.724 -10.511 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.942 -1.184 -11.336 1.00 0.19 H new ATOM 1386 N GLU A 428 6.748 -4.221 -10.554 1.00 0.14 N ATOM 1387 CA GLU A 428 6.220 -5.546 -10.340 1.00 0.14 C ATOM 1388 C GLU A 428 5.250 -5.577 -9.182 1.00 0.12 C ATOM 1389 O GLU A 428 5.357 -4.802 -8.241 1.00 0.15 O ATOM 1390 CB GLU A 428 7.323 -6.531 -10.069 1.00 0.17 C ATOM 1391 CG GLU A 428 7.054 -7.881 -10.660 1.00 0.22 C ATOM 1392 CD GLU A 428 7.729 -8.093 -12.002 1.00 0.64 C ATOM 1393 OE1 GLU A 428 7.737 -7.148 -12.820 1.00 1.10 O1- ATOM 1394 OE2 GLU A 428 8.260 -9.196 -12.242 1.00 0.98 O ATOM 0 H GLU A 428 7.352 -3.861 -9.815 1.00 0.14 H new ATOM 0 HA GLU A 428 5.696 -5.824 -11.254 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.258 -6.143 -10.473 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.458 -6.631 -8.992 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.394 -8.649 -9.965 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.978 -8.011 -10.778 1.00 0.22 H new ATOM 1401 N TYR A 429 4.329 -6.519 -9.284 1.00 0.11 N ATOM 1402 CA TYR A 429 3.174 -6.653 -8.402 1.00 0.10 C ATOM 1403 C TYR A 429 2.600 -8.038 -8.573 1.00 0.10 C ATOM 1404 O TYR A 429 2.328 -8.464 -9.694 1.00 0.14 O ATOM 1405 CB TYR A 429 2.057 -5.713 -8.789 1.00 0.13 C ATOM 1406 CG TYR A 429 2.436 -4.518 -9.613 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.802 -3.332 -9.007 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.408 -4.578 -10.995 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.136 -2.224 -9.761 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.741 -3.484 -11.758 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.105 -2.306 -11.141 1.00 0.30 C ATOM 1412 OH TYR A 429 3.430 -1.209 -11.908 1.00 0.38 O ATOM 0 H TYR A 429 4.362 -7.238 -10.007 1.00 0.11 H new ATOM 0 HA TYR A 429 3.516 -6.441 -7.389 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.309 -6.283 -9.340 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.579 -5.359 -7.876 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.827 -3.270 -7.929 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.120 -5.498 -11.482 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.419 -1.301 -9.277 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.718 -3.547 -12.836 1.00 0.29 H new ATOM 0 HH TYR A 429 3.357 -1.441 -12.857 1.00 0.38 H new ATOM 1422 N GLY A 430 2.456 -8.755 -7.500 1.00 0.10 N ATOM 1423 CA GLY A 430 1.896 -10.077 -7.603 1.00 0.12 C ATOM 1424 C GLY A 430 2.476 -10.991 -6.574 1.00 0.13 C ATOM 1425 O GLY A 430 3.218 -10.526 -5.715 1.00 0.13 O ATOM 0 H GLY A 430 2.711 -8.459 -6.558 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.814 -10.027 -7.480 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.086 -10.479 -8.598 1.00 0.12 H new ATOM 1429 N GLY A 431 2.195 -12.292 -6.729 1.00 0.16 N ATOM 1430 CA GLY A 431 2.749 -13.334 -5.866 1.00 0.20 C ATOM 1431 C GLY A 431 4.135 -13.008 -5.364 1.00 0.17 C ATOM 1432 O GLY A 431 4.908 -12.373 -6.083 1.00 0.16 O ATOM 0 H GLY A 431 1.576 -12.648 -7.458 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.086 -13.483 -5.014 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.779 -14.275 -6.415 1.00 0.20 H new ATOM 1436 N ASP A 432 4.519 -13.580 -4.227 1.00 0.18 N ATOM 1437 CA ASP A 432 5.395 -12.881 -3.297 1.00 0.18 C ATOM 1438 C ASP A 432 6.647 -12.416 -3.959 1.00 0.18 C ATOM 1439 O ASP A 432 7.610 -13.147 -4.204 1.00 0.19 O ATOM 1440 CB ASP A 432 5.775 -13.789 -2.139 1.00 0.22 C ATOM 1441 CG ASP A 432 4.599 -14.534 -1.545 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.213 -15.590 -2.095 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.063 -14.074 -0.519 1.00 0.33 O1- ATOM 0 H ASP A 432 4.240 -14.515 -3.931 1.00 0.18 H new ATOM 0 HA ASP A 432 4.842 -12.015 -2.934 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.517 -14.511 -2.482 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.248 -13.192 -1.359 1.00 0.22 H new ATOM 1448 N LEU A 433 6.562 -11.147 -4.235 1.00 0.16 N ATOM 1449 CA LEU A 433 7.608 -10.369 -4.792 1.00 0.15 C ATOM 1450 C LEU A 433 8.312 -9.654 -3.685 1.00 0.14 C ATOM 1451 O LEU A 433 9.502 -9.390 -3.780 1.00 0.15 O ATOM 1452 CB LEU A 433 6.964 -9.422 -5.759 1.00 0.14 C ATOM 1453 CG LEU A 433 6.533 -10.077 -7.054 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.687 -9.125 -7.853 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.745 -10.537 -7.841 1.00 0.18 C ATOM 0 H LEU A 433 5.713 -10.608 -4.065 1.00 0.16 H new ATOM 0 HA LEU A 433 8.353 -10.969 -5.315 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.094 -8.967 -5.285 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.662 -8.616 -5.984 1.00 0.14 H new ATOM 0 HG LEU A 433 5.931 -10.957 -6.829 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.381 -9.603 -8.783 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.803 -8.853 -7.277 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.263 -8.228 -8.079 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.419 -11.006 -8.770 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.377 -9.679 -8.070 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.311 -11.257 -7.250 1.00 0.18 H new ATOM 1467 N TRP A 434 7.567 -9.319 -2.651 1.00 0.14 N ATOM 1468 CA TRP A 434 8.092 -8.521 -1.560 1.00 0.14 C ATOM 1469 C TRP A 434 9.451 -9.020 -1.110 1.00 0.17 C ATOM 1470 O TRP A 434 10.365 -8.229 -0.870 1.00 0.22 O ATOM 1471 CB TRP A 434 7.099 -8.455 -0.394 1.00 0.15 C ATOM 1472 CG TRP A 434 6.515 -9.773 0.050 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.638 -10.557 -0.637 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.722 -10.429 1.309 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.313 -11.669 0.104 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.967 -11.609 1.301 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.482 -10.138 2.434 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.951 -12.488 2.377 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.466 -11.007 3.504 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.706 -12.170 3.469 1.00 0.19 C ATOM 0 H TRP A 434 6.589 -9.589 -2.543 1.00 0.14 H new ATOM 0 HA TRP A 434 8.230 -7.505 -1.931 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.600 -7.996 0.459 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.280 -7.794 -0.677 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.253 -10.337 -1.622 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.686 -12.417 -0.192 1.00 0.18 H new ATOM 0 HE3 TRP A 434 8.080 -9.239 2.470 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.361 -13.392 2.350 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 8.053 -10.781 4.382 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.713 -12.834 4.321 1.00 0.19 H new ATOM 1491 N LYS A 435 9.597 -10.336 -1.117 1.00 0.17 N ATOM 1492 CA LYS A 435 10.788 -10.989 -0.638 1.00 0.19 C ATOM 1493 C LYS A 435 12.025 -10.608 -1.409 1.00 0.20 C ATOM 1494 O LYS A 435 13.140 -10.704 -0.902 1.00 0.22 O ATOM 1495 CB LYS A 435 10.577 -12.454 -0.731 1.00 0.20 C ATOM 1496 CG LYS A 435 9.603 -12.882 0.287 1.00 0.22 C ATOM 1497 CD LYS A 435 9.546 -14.352 0.350 1.00 0.26 C ATOM 1498 CE LYS A 435 8.558 -14.740 1.386 1.00 0.35 C ATOM 1499 NZ LYS A 435 7.866 -16.017 1.083 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.883 -10.978 -1.459 1.00 0.17 H new ATOM 0 HA LYS A 435 10.956 -10.670 0.391 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.217 -12.717 -1.726 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.522 -12.977 -0.586 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.883 -12.480 1.261 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.617 -12.482 0.048 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.260 -14.762 -0.619 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.528 -14.759 0.591 1.00 0.26 H new ATOM 0 HE2 LYS A 435 9.064 -14.828 2.347 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.817 -13.947 1.487 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.189 -16.234 1.842 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 7.357 -15.930 0.180 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 8.566 -16.783 1.014 1.00 0.64 H new ATOM 1513 N THR A 436 11.825 -10.185 -2.625 1.00 0.19 N ATOM 1514 CA THR A 436 12.925 -9.849 -3.483 1.00 0.21 C ATOM 1515 C THR A 436 12.905 -8.363 -3.803 1.00 0.19 C ATOM 1516 O THR A 436 13.941 -7.698 -3.854 1.00 0.23 O ATOM 1517 CB THR A 436 12.830 -10.662 -4.780 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.667 -10.270 -5.523 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.720 -12.132 -4.446 1.00 0.25 C ATOM 0 H THR A 436 10.904 -10.064 -3.046 1.00 0.19 H new ATOM 0 HA THR A 436 13.859 -10.086 -2.974 1.00 0.21 H new ATOM 0 HB THR A 436 13.723 -10.478 -5.377 1.00 0.22 H new ATOM 0 HG1 THR A 436 10.929 -10.090 -4.904 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.652 -12.710 -5.367 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.601 -12.445 -3.885 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.827 -12.303 -3.844 1.00 0.25 H new ATOM 1527 N ARG A 437 11.698 -7.848 -3.970 1.00 0.16 N ATOM 1528 CA ARG A 437 11.494 -6.504 -4.479 1.00 0.15 C ATOM 1529 C ARG A 437 11.631 -5.453 -3.391 1.00 0.17 C ATOM 1530 O ARG A 437 11.788 -4.263 -3.667 1.00 0.20 O ATOM 1531 CB ARG A 437 10.139 -6.457 -5.114 1.00 0.14 C ATOM 1532 CG ARG A 437 9.962 -7.540 -6.127 1.00 0.15 C ATOM 1533 CD ARG A 437 9.201 -7.051 -7.325 1.00 0.17 C ATOM 1534 NE ARG A 437 9.991 -6.096 -8.097 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.618 -6.380 -9.243 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.625 -7.616 -9.725 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.267 -5.422 -9.889 1.00 0.36 N ATOM 0 H ARG A 437 10.835 -8.349 -3.757 1.00 0.16 H new ATOM 0 HA ARG A 437 12.265 -6.272 -5.214 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.373 -6.551 -4.344 1.00 0.14 H new ATOM 0 HB3 ARG A 437 9.994 -5.487 -5.590 1.00 0.14 H new ATOM 0 HG2 ARG A 437 10.938 -7.910 -6.440 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.433 -8.379 -5.676 1.00 0.15 H new ATOM 0 HD2 ARG A 437 8.929 -7.897 -7.957 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.272 -6.582 -7.002 1.00 0.17 H new ATOM 0 HE ARG A 437 10.070 -5.145 -7.736 1.00 0.23 H new ATOM 0 HH11 ARG A 437 10.148 -8.363 -9.220 1.00 0.34 H new ATOM 0 HH12 ARG A 437 11.107 -7.819 -10.601 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.286 -4.475 -9.511 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.748 -5.632 -10.764 1.00 0.36 H new ATOM 1551 N GLY A 438 11.582 -5.913 -2.161 1.00 0.16 N ATOM 1552 CA GLY A 438 12.116 -5.132 -1.059 1.00 0.17 C ATOM 1553 C GLY A 438 11.313 -3.901 -0.658 1.00 0.17 C ATOM 1554 O GLY A 438 11.902 -2.864 -0.358 1.00 0.21 O ATOM 0 H GLY A 438 11.183 -6.814 -1.896 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.204 -5.782 -0.189 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.125 -4.813 -1.322 1.00 0.17 H new ATOM 1558 N SER A 439 9.989 -3.992 -0.618 1.00 0.15 N ATOM 1559 CA SER A 439 9.181 -2.870 -0.150 1.00 0.16 C ATOM 1560 C SER A 439 8.982 -3.011 1.361 1.00 0.14 C ATOM 1561 O SER A 439 8.594 -4.059 1.828 1.00 0.20 O ATOM 1562 CB SER A 439 7.836 -2.881 -0.874 1.00 0.22 C ATOM 1563 OG SER A 439 8.022 -2.839 -2.280 1.00 0.47 O ATOM 0 H SER A 439 9.458 -4.816 -0.899 1.00 0.15 H new ATOM 0 HA SER A 439 9.679 -1.924 -0.360 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.279 -3.778 -0.603 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.239 -2.026 -0.556 1.00 0.22 H new ATOM 0 HG SER A 439 7.149 -2.849 -2.726 1.00 0.47 H new ATOM 1569 N HIS A 440 9.239 -1.956 2.119 1.00 0.14 N ATOM 1570 CA HIS A 440 9.366 -2.066 3.576 1.00 0.16 C ATOM 1571 C HIS A 440 8.059 -1.740 4.265 1.00 0.16 C ATOM 1572 O HIS A 440 7.958 -0.750 4.989 1.00 0.21 O ATOM 1573 CB HIS A 440 10.451 -1.125 4.114 1.00 0.22 C ATOM 1574 CG HIS A 440 11.831 -1.423 3.653 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.280 -1.098 2.405 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.881 -1.976 4.301 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.541 -1.432 2.298 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.938 -1.973 3.431 1.00 0.38 N ATOM 0 H HIS A 440 9.365 -1.011 1.756 1.00 0.14 H new ATOM 0 HA HIS A 440 9.643 -3.098 3.790 1.00 0.16 H new ATOM 0 HB2 HIS A 440 10.201 -0.104 3.824 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.433 -1.161 5.203 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.885 -2.350 5.314 1.00 0.30 H new ATOM 0 HE1 HIS A 440 14.156 -1.287 1.422 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.874 -2.329 3.627 1.00 0.38 H new ATOM 1587 N GLY A 441 7.063 -2.577 4.031 1.00 0.15 N ATOM 1588 CA GLY A 441 5.776 -2.392 4.649 1.00 0.16 C ATOM 1589 C GLY A 441 4.866 -1.611 3.747 1.00 0.15 C ATOM 1590 O GLY A 441 3.664 -1.562 3.946 1.00 0.18 O ATOM 0 H GLY A 441 7.128 -3.389 3.417 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.331 -3.362 4.873 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.894 -1.869 5.598 1.00 0.16 H new ATOM 1594 N CYS A 442 5.453 -1.011 2.738 1.00 0.14 N ATOM 1595 CA CYS A 442 4.708 -0.205 1.804 1.00 0.16 C ATOM 1596 C CYS A 442 4.159 -1.066 0.680 1.00 0.18 C ATOM 1597 O CYS A 442 4.837 -1.967 0.182 1.00 0.28 O ATOM 1598 CB CYS A 442 5.588 0.914 1.265 1.00 0.20 C ATOM 1599 SG CYS A 442 7.136 0.346 0.514 1.00 0.83 S ATOM 0 H CYS A 442 6.453 -1.068 2.544 1.00 0.14 H new ATOM 0 HA CYS A 442 3.861 0.247 2.319 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.024 1.480 0.523 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.822 1.600 2.079 1.00 0.20 H new ATOM 0 HG CYS A 442 7.812 1.370 0.085 1.00 0.83 H new ATOM 1605 N ILE A 443 2.924 -0.801 0.299 1.00 0.13 N ATOM 1606 CA ILE A 443 2.242 -1.605 -0.686 1.00 0.12 C ATOM 1607 C ILE A 443 2.450 -1.043 -2.074 1.00 0.12 C ATOM 1608 O ILE A 443 2.050 0.079 -2.386 1.00 0.15 O ATOM 1609 CB ILE A 443 0.739 -1.741 -0.357 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.537 -2.744 0.790 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.044 -2.175 -1.594 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.298 -2.439 2.057 1.00 0.10 C ATOM 0 H ILE A 443 2.371 -0.025 0.664 1.00 0.13 H new ATOM 0 HA ILE A 443 2.674 -2.606 -0.659 1.00 0.12 H new ATOM 0 HB ILE A 443 0.362 -0.769 -0.040 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.526 -2.790 1.027 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.829 -3.734 0.440 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.101 -2.265 -1.343 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.079 -1.432 -2.382 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.330 -3.138 -1.942 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.086 -3.206 2.802 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.367 -2.424 1.845 1.00 0.10 H new ATOM 0 HD13 ILE A 443 0.991 -1.466 2.441 1.00 0.10 H new ATOM 1624 N ASN A 444 3.111 -1.840 -2.886 1.00 0.14 N ATOM 1625 CA ASN A 444 3.472 -1.450 -4.231 1.00 0.16 C ATOM 1626 C ASN A 444 2.273 -1.523 -5.173 1.00 0.11 C ATOM 1627 O ASN A 444 2.081 -2.526 -5.858 1.00 0.12 O ATOM 1628 CB ASN A 444 4.610 -2.344 -4.728 1.00 0.30 C ATOM 1629 CG ASN A 444 5.573 -1.637 -5.635 1.00 0.88 C ATOM 1630 OD1 ASN A 444 5.416 -1.642 -6.850 1.00 1.56 O ATOM 1631 ND2 ASN A 444 6.598 -1.041 -5.045 1.00 1.77 N ATOM 0 H ASN A 444 3.414 -2.780 -2.630 1.00 0.14 H new ATOM 0 HA ASN A 444 3.807 -0.413 -4.217 1.00 0.16 H new ATOM 0 HB2 ASN A 444 5.154 -2.738 -3.869 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.186 -3.198 -5.256 1.00 0.30 H new ATOM 0 HD21 ASN A 444 7.300 -0.559 -5.607 1.00 1.77 H new ATOM 0 HD22 ASN A 444 6.686 -1.064 -4.029 1.00 1.77 H new ATOM 1638 N THR A 445 1.468 -0.471 -5.202 1.00 0.11 N ATOM 1639 CA THR A 445 0.334 -0.401 -6.093 1.00 0.10 C ATOM 1640 C THR A 445 0.755 0.217 -7.411 1.00 0.11 C ATOM 1641 O THR A 445 1.552 1.152 -7.460 1.00 0.14 O ATOM 1642 CB THR A 445 -0.793 0.416 -5.433 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.103 -0.158 -4.160 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.035 0.449 -6.300 1.00 0.14 C ATOM 0 H THR A 445 1.587 0.351 -4.609 1.00 0.11 H new ATOM 0 HA THR A 445 -0.040 -1.405 -6.291 1.00 0.10 H new ATOM 0 HB THR A 445 -0.449 1.443 -5.308 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.016 -0.513 -4.175 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.810 1.034 -5.804 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.796 0.905 -7.261 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.394 -0.568 -6.460 1.00 0.14 H new ATOM 1652 N PRO A 446 0.267 -0.355 -8.504 1.00 0.09 N ATOM 1653 CA PRO A 446 0.549 0.131 -9.840 1.00 0.08 C ATOM 1654 C PRO A 446 0.133 1.571 -10.010 1.00 0.09 C ATOM 1655 O PRO A 446 -0.956 1.953 -9.616 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.293 -0.753 -10.728 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.505 -1.984 -9.929 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.596 -1.532 -8.520 1.00 0.09 C ATOM 0 HA PRO A 446 1.614 0.096 -10.069 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.240 -0.276 -10.981 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.215 -0.972 -11.667 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.416 -2.499 -10.235 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.318 -2.686 -10.064 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.620 -1.287 -8.239 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.249 -2.298 -7.826 1.00 0.09 H new ATOM 1666 N PRO A 447 0.990 2.369 -10.636 1.00 0.09 N ATOM 1667 CA PRO A 447 0.811 3.821 -10.786 1.00 0.09 C ATOM 1668 C PRO A 447 -0.497 4.187 -11.428 1.00 0.09 C ATOM 1669 O PRO A 447 -1.118 5.196 -11.099 1.00 0.16 O ATOM 1670 CB PRO A 447 1.970 4.168 -11.701 1.00 0.10 C ATOM 1671 CG PRO A 447 2.996 3.219 -11.246 1.00 0.10 C ATOM 1672 CD PRO A 447 2.234 1.935 -11.280 1.00 0.09 C ATOM 0 HA PRO A 447 0.795 4.350 -9.833 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.719 4.028 -12.752 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.289 5.204 -11.585 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.863 3.201 -11.906 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.361 3.455 -10.247 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.074 1.570 -12.295 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.734 1.138 -10.730 1.00 0.09 H new ATOM 1680 N SER A 448 -0.918 3.339 -12.330 1.00 0.08 N ATOM 1681 CA SER A 448 -2.125 3.575 -13.058 1.00 0.09 C ATOM 1682 C SER A 448 -3.328 3.219 -12.197 1.00 0.09 C ATOM 1683 O SER A 448 -4.335 3.922 -12.192 1.00 0.11 O ATOM 1684 CB SER A 448 -2.136 2.768 -14.346 1.00 0.11 C ATOM 1685 OG SER A 448 -1.886 1.394 -14.095 1.00 1.17 O ATOM 0 H SER A 448 -0.435 2.475 -12.575 1.00 0.08 H new ATOM 0 HA SER A 448 -2.178 4.632 -13.317 1.00 0.09 H new ATOM 0 HB2 SER A 448 -3.101 2.880 -14.840 1.00 0.11 H new ATOM 0 HB3 SER A 448 -1.381 3.158 -15.029 1.00 0.11 H new ATOM 0 HG SER A 448 -1.901 0.899 -14.941 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.201 2.131 -11.445 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.276 1.668 -10.587 1.00 0.09 C ATOM 1693 C VAL A 449 -4.336 2.469 -9.288 1.00 0.10 C ATOM 1694 O VAL A 449 -5.400 2.674 -8.713 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.105 0.189 -10.249 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.227 -0.263 -9.330 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.066 -0.654 -11.512 1.00 0.10 C ATOM 0 H VAL A 449 -2.360 1.554 -11.415 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.206 1.811 -11.137 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.154 0.055 -9.733 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.100 -1.319 -9.092 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.202 0.321 -8.410 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.186 -0.116 -9.827 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.944 -1.704 -11.245 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.997 -0.526 -12.064 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.229 -0.338 -12.135 1.00 0.10 H new ATOM 1707 N MET A 450 -3.190 2.930 -8.831 1.00 0.10 N ATOM 1708 CA MET A 450 -3.095 3.707 -7.628 1.00 0.11 C ATOM 1709 C MET A 450 -3.780 5.052 -7.809 1.00 0.10 C ATOM 1710 O MET A 450 -4.108 5.727 -6.861 1.00 0.14 O ATOM 1711 CB MET A 450 -1.627 3.870 -7.329 1.00 0.13 C ATOM 1712 CG MET A 450 -1.367 4.561 -6.041 1.00 0.13 C ATOM 1713 SD MET A 450 -2.459 4.024 -4.739 1.00 0.46 S ATOM 1714 CE MET A 450 -2.461 5.521 -3.781 1.00 0.10 C ATOM 0 H MET A 450 -2.295 2.771 -9.293 1.00 0.10 H new ATOM 0 HA MET A 450 -3.596 3.212 -6.796 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.155 2.888 -7.309 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.158 4.432 -8.137 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.335 4.383 -5.740 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.477 5.636 -6.182 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.394 5.594 -3.223 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.622 5.509 -3.085 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.368 6.379 -4.447 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.970 5.414 -9.062 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.651 6.626 -9.462 1.00 0.11 C ATOM 1726 C LYS A 451 -6.143 6.446 -9.415 1.00 0.10 C ATOM 1727 O LYS A 451 -6.917 7.394 -9.337 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.220 6.882 -10.869 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.378 8.302 -11.281 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.331 8.720 -12.271 1.00 0.68 C ATOM 1731 CE LYS A 451 -3.033 7.599 -13.206 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.746 8.068 -14.585 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.645 4.856 -9.852 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.406 7.453 -8.795 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.175 6.592 -10.980 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.800 6.249 -11.541 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.367 8.445 -11.717 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.322 8.943 -10.401 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.676 9.589 -12.831 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.423 9.018 -11.747 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.178 7.036 -12.832 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.880 6.914 -13.228 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.545 7.250 -15.195 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.571 8.582 -14.955 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.921 8.701 -14.572 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.506 5.194 -9.506 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.867 4.756 -9.435 1.00 0.08 C ATOM 1748 C GLU A 452 -8.240 4.729 -8.009 1.00 0.07 C ATOM 1749 O GLU A 452 -9.291 5.188 -7.597 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.943 3.354 -9.992 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.334 3.214 -11.353 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.270 3.629 -12.464 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -9.213 2.868 -12.764 1.00 0.38 O ATOM 1754 OE2 GLU A 452 -8.071 4.719 -13.042 1.00 0.31 O1- ATOM 0 H GLU A 452 -5.840 4.432 -9.635 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.531 5.413 -9.998 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.440 2.672 -9.306 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.988 3.047 -10.038 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.428 3.818 -11.404 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -7.034 2.177 -11.506 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.333 4.141 -7.282 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.390 4.071 -5.882 1.00 0.05 C ATOM 1763 C LEU A 453 -7.296 5.421 -5.243 1.00 0.05 C ATOM 1764 O LEU A 453 -8.220 5.861 -4.616 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.234 3.296 -5.372 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.344 2.947 -3.929 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.507 2.018 -3.736 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.057 2.343 -3.441 1.00 0.06 C ATOM 0 H LEU A 453 -6.511 3.686 -7.680 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.345 3.607 -5.637 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.136 2.379 -5.953 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.322 3.872 -5.530 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.522 3.846 -3.339 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.594 1.758 -2.681 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.423 2.508 -4.065 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.350 1.112 -4.321 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.150 2.092 -2.384 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.840 1.439 -4.011 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.246 3.059 -3.574 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.150 6.062 -5.363 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.982 7.396 -4.822 1.00 0.08 C ATOM 1782 C PHE A 454 -7.150 8.253 -5.290 1.00 0.09 C ATOM 1783 O PHE A 454 -7.572 9.219 -4.652 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.673 8.024 -5.298 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.253 9.215 -4.494 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.584 9.062 -3.294 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.532 10.492 -4.944 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.201 10.162 -2.558 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.154 11.598 -4.216 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.465 11.406 -2.993 1.00 0.29 C ATOM 0 H PHE A 454 -5.325 5.683 -5.828 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.953 7.337 -3.734 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.884 7.273 -5.259 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.780 8.320 -6.342 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.359 8.070 -2.930 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.054 10.624 -5.880 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.683 10.023 -1.621 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.379 12.593 -4.571 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.152 12.260 -2.410 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.662 7.829 -6.443 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.774 8.462 -7.076 1.00 0.11 C ATOM 1802 C GLY A 455 -10.087 8.213 -6.333 1.00 0.10 C ATOM 1803 O GLY A 455 -10.989 9.049 -6.376 1.00 0.13 O ATOM 0 H GLY A 455 -7.299 7.025 -6.955 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.592 9.535 -7.136 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.863 8.096 -8.099 1.00 0.11 H new ATOM 1807 N MET A 456 -10.201 7.048 -5.674 1.00 0.08 N ATOM 1808 CA MET A 456 -11.330 6.756 -4.785 1.00 0.09 C ATOM 1809 C MET A 456 -11.055 7.228 -3.368 1.00 0.10 C ATOM 1810 O MET A 456 -11.878 7.887 -2.729 1.00 0.13 O ATOM 1811 CB MET A 456 -11.622 5.251 -4.726 1.00 0.08 C ATOM 1812 CG MET A 456 -10.464 4.361 -5.030 1.00 0.06 C ATOM 1813 SD MET A 456 -10.943 2.718 -5.553 1.00 0.06 S ATOM 1814 CE MET A 456 -11.661 3.086 -7.127 1.00 0.07 C ATOM 0 H MET A 456 -9.520 6.292 -5.743 1.00 0.08 H new ATOM 0 HA MET A 456 -12.188 7.287 -5.197 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.992 5.009 -3.730 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.425 5.026 -5.428 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.859 4.820 -5.812 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.834 4.282 -4.144 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.997 2.162 -7.599 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.511 3.754 -6.992 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.918 3.568 -7.762 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.885 6.870 -2.892 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.542 7.000 -1.501 1.00 0.10 C ATOM 1826 C VAL A 457 -8.662 8.169 -1.199 1.00 0.17 C ATOM 1827 O VAL A 457 -7.700 8.492 -1.891 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.923 5.704 -0.957 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.041 5.058 -1.996 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.164 5.940 0.340 1.00 0.10 C ATOM 0 H VAL A 457 -9.140 6.477 -3.467 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.485 7.190 -0.987 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.740 5.019 -0.728 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.612 4.142 -1.590 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.633 4.821 -2.880 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.239 5.744 -2.270 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.742 4.998 0.691 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.360 6.656 0.166 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.845 6.335 1.093 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.051 8.762 -0.116 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.456 9.896 0.455 1.00 0.26 C ATOM 1842 C GLU A 458 -8.394 9.646 1.918 1.00 0.15 C ATOM 1843 O GLU A 458 -8.777 8.560 2.361 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.294 11.109 0.158 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.753 10.851 0.382 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.618 12.056 0.100 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -12.024 12.238 -1.067 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -11.899 12.826 1.042 1.00 0.83 O ATOM 0 H GLU A 458 -9.853 8.431 0.421 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.460 10.077 0.052 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -8.971 11.937 0.790 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.134 11.416 -0.876 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.072 10.026 -0.254 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.906 10.535 1.414 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.899 10.592 2.670 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.876 10.436 4.074 1.00 0.13 C ATOM 1857 C LYS A 459 -9.196 10.044 4.646 1.00 0.14 C ATOM 1858 O LYS A 459 -10.260 10.181 4.038 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.369 11.661 4.746 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.909 11.757 4.687 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.504 12.939 5.458 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.570 14.145 4.592 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.961 15.346 5.221 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.511 11.469 2.323 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.189 9.612 4.268 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.809 12.540 4.276 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.690 11.662 5.788 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.450 10.858 5.098 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.573 11.842 3.653 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.157 13.063 6.322 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.491 12.808 5.839 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.062 13.938 3.650 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.612 14.356 4.352 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.037 16.154 4.571 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.461 15.565 6.106 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.959 15.160 5.427 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.096 9.567 5.847 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.255 9.123 6.547 1.00 0.19 C ATOM 1879 C GLY A 460 -10.535 7.659 6.327 1.00 0.19 C ATOM 1880 O GLY A 460 -10.984 6.959 7.236 1.00 0.37 O ATOM 0 H GLY A 460 -8.220 9.476 6.362 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.125 9.309 7.613 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.117 9.707 6.224 1.00 0.19 H new ATOM 1884 N THR A 461 -10.246 7.204 5.117 1.00 0.12 N ATOM 1885 CA THR A 461 -10.522 5.857 4.708 1.00 0.10 C ATOM 1886 C THR A 461 -9.553 4.903 5.387 1.00 0.09 C ATOM 1887 O THR A 461 -8.386 5.227 5.592 1.00 0.12 O ATOM 1888 CB THR A 461 -10.394 5.767 3.172 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.490 6.452 2.546 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.315 4.323 2.667 1.00 0.08 C ATOM 0 H THR A 461 -9.809 7.774 4.393 1.00 0.12 H new ATOM 0 HA THR A 461 -11.534 5.576 5.000 1.00 0.10 H new ATOM 0 HB THR A 461 -9.455 6.249 2.901 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.400 6.392 1.572 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.226 4.322 1.581 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.445 3.832 3.103 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.218 3.786 2.958 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.027 3.734 5.789 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.177 2.710 6.312 1.00 0.10 C ATOM 1900 C PRO A 462 -8.378 2.073 5.230 1.00 0.09 C ATOM 1901 O PRO A 462 -8.665 2.196 4.046 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.116 1.663 6.871 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.461 2.237 6.778 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.410 3.305 5.754 1.00 0.07 C ATOM 0 HA PRO A 462 -8.487 3.121 7.049 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -10.048 0.735 6.304 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.864 1.424 7.904 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.187 1.473 6.501 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.774 2.641 7.741 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.691 2.932 4.769 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.091 4.122 5.991 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.395 1.376 5.659 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.597 0.587 4.801 1.00 0.14 C ATOM 1914 C VAL A 463 -6.395 -0.751 5.459 1.00 0.12 C ATOM 1915 O VAL A 463 -6.158 -0.836 6.652 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.248 1.256 4.519 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -4.344 0.314 3.763 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -5.448 2.549 3.750 1.00 1.09 C ATOM 0 H VAL A 463 -7.116 1.337 6.639 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.099 0.469 3.841 1.00 0.14 H new ATOM 0 HB VAL A 463 -4.771 1.497 5.469 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -3.389 0.803 3.570 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -4.178 -0.585 4.356 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -4.811 0.043 2.816 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -4.480 3.012 3.558 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -5.943 2.336 2.802 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -6.065 3.229 4.337 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.574 -1.785 4.707 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.396 -3.109 5.212 1.00 0.06 C ATOM 1930 C LEU A 464 -5.221 -3.752 4.573 1.00 0.06 C ATOM 1931 O LEU A 464 -4.928 -3.512 3.415 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.607 -3.920 4.876 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.192 -4.720 6.006 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.551 -3.802 7.162 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.394 -5.464 5.487 1.00 0.13 C ATOM 0 H LEU A 464 -6.848 -1.738 3.725 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.244 -3.057 6.290 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.376 -3.249 4.495 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.350 -4.603 4.067 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.467 -5.442 6.383 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.974 -4.390 7.976 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.655 -3.290 7.512 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.282 -3.066 6.828 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.834 -6.052 6.293 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.130 -4.752 5.114 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -9.090 -6.128 4.678 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.530 -4.510 5.361 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.565 -5.442 4.885 1.00 0.06 C ATOM 1949 C VAL A 465 -3.648 -6.664 5.779 1.00 0.08 C ATOM 1950 O VAL A 465 -3.985 -6.533 6.959 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.129 -4.869 4.831 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.095 -3.383 4.483 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.374 -5.138 6.075 1.00 0.07 C ATOM 0 H VAL A 465 -4.624 -4.497 6.377 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.793 -5.697 3.850 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.632 -5.398 4.018 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -1.061 -3.038 4.460 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.551 -3.228 3.505 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.648 -2.820 5.235 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.372 -4.717 5.991 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.890 -4.681 6.920 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.304 -6.214 6.232 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.396 -7.837 5.228 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.520 -9.073 5.983 1.00 0.14 C ATOM 1965 C PHE A 466 -2.751 -10.210 5.317 1.00 0.19 C ATOM 1966 O PHE A 466 -2.806 -10.323 4.075 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.997 -9.427 6.175 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.817 -9.388 4.918 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.752 -10.405 3.978 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.662 -8.323 4.682 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.515 -10.352 2.826 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.425 -8.271 3.543 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.356 -9.280 2.614 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.038 -10.943 6.036 1.00 1.08 O ATOM 0 H PHE A 466 -3.104 -7.961 4.259 1.00 0.11 H new ATOM 0 HA PHE A 466 -3.075 -8.923 6.967 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.065 -10.426 6.607 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.432 -8.737 6.898 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.098 -11.248 4.147 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.723 -7.521 5.402 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.453 -11.146 2.096 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.084 -7.432 3.376 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.959 -9.234 1.719 1.00 0.19 H new