USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 597 hydrogens (8 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 NoAdj-H: A 363 PTR HN2 : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 363 PTR H : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 390 HIS HD1 : A 390 HIS ND1 : A1388 ZNZN :(H bumps) USER MOD Set 1.1: A 356 THR OG1 : rot 170:sc= -1.94 USER MOD Set 1.2: A 359 GLN : amide:sc= -4.43! C(o=-6.4!,f=-19!) USER MOD Single : A 347 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.38) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot 103:sc= -2.2 USER MOD Single : A 352 HIS : no HD1:sc= -3.55! C(o=-3.6!,f=-3.6!) USER MOD Single : A 354 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 357 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.0048) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 66:sc= -0.345 USER MOD Single : A 366 MET CE :methyl 137:sc= -1.73 (180deg=-2.66!) USER MOD Single : A 368 SER OG : rot 180:sc= 0.161 USER MOD Single : A 369 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 371 GLN : amide:sc= -6.63! C(o=-6.6!,f=-7!) USER MOD Single : A 374 LYS NZ :NH3+ -169:sc= -2.07! (180deg=-2.46!) USER MOD Single : A 379 ASN : amide:sc= -2.09 K(o=-2.1,f=-7!) USER MOD Single : A 381 LYS NZ :NH3+ 138:sc= -0.525 (180deg=-2.16) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 MET CE :methyl 163:sc= -7.14! (180deg=-7.86!) USER MOD Single : A 394 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 401 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.52) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= 0.172 K(o=0.17,f=-4.2!) USER MOD Single : A 413 CYS SG : rot -59:sc= -0.596 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 37:sc= 0.0246 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 1.325 0.000 0.000 1.00 11.00 N ATOM 2 CA GLY A 345 2.073 0.000 -1.246 1.00 3.05 C ATOM 3 C GLY A 345 1.628 1.149 -2.153 1.00 32.51 C ATOM 4 O GLY A 345 2.435 1.997 -2.528 1.00 1.43 O ATOM 0 HA2 GLY A 345 3.138 0.091 -1.035 1.00 3.05 H new ATOM 0 HA3 GLY A 345 1.930 -0.950 -1.760 1.00 3.05 H new ATOM 8 N PRO A 346 0.310 1.138 -2.489 1.00 31.34 N ATOM 9 CA PRO A 346 -0.253 2.168 -3.345 1.00 23.10 C ATOM 10 C PRO A 346 -0.422 3.483 -2.582 1.00 13.22 C ATOM 11 O PRO A 346 -0.134 3.554 -1.388 1.00 43.12 O ATOM 12 CB PRO A 346 -1.571 1.593 -3.838 1.00 44.11 C ATOM 13 CG PRO A 346 -1.918 0.465 -2.880 1.00 10.41 C ATOM 14 CD PRO A 346 -0.676 0.148 -2.063 1.00 41.34 C ATOM 0 HA PRO A 346 0.396 2.418 -4.185 1.00 23.10 H new ATOM 0 HB2 PRO A 346 -2.351 2.354 -3.844 1.00 44.11 H new ATOM 0 HB3 PRO A 346 -1.478 1.223 -4.859 1.00 44.11 H new ATOM 0 HG2 PRO A 346 -2.740 0.758 -2.227 1.00 10.41 H new ATOM 0 HG3 PRO A 346 -2.247 -0.416 -3.431 1.00 10.41 H new ATOM 0 HD2 PRO A 346 -0.875 0.222 -0.994 1.00 41.34 H new ATOM 0 HD3 PRO A 346 -0.326 -0.867 -2.252 1.00 41.34 H new ATOM 22 N HIS A 347 -0.890 4.492 -3.302 1.00 42.10 N ATOM 23 CA HIS A 347 -1.101 5.801 -2.708 1.00 14.13 C ATOM 24 C HIS A 347 0.250 6.454 -2.410 1.00 32.01 C ATOM 25 O HIS A 347 0.464 6.976 -1.317 1.00 13.20 O ATOM 26 CB HIS A 347 -1.996 5.698 -1.470 1.00 65.25 C ATOM 27 CG HIS A 347 -3.124 4.704 -1.609 1.00 61.25 C ATOM 28 ND1 HIS A 347 -3.291 3.634 -0.747 1.00 51.14 N ATOM 29 CD2 HIS A 347 -4.139 4.629 -2.517 1.00 51.23 C ATOM 30 CE1 HIS A 347 -4.361 2.953 -1.129 1.00 72.42 C ATOM 31 NE2 HIS A 347 -4.885 3.571 -2.226 1.00 70.45 N ATOM 0 H HIS A 347 -1.129 4.429 -4.292 1.00 42.10 H new ATOM 0 HA HIS A 347 -1.628 6.444 -3.414 1.00 14.13 H new ATOM 0 HB2 HIS A 347 -1.383 5.419 -0.613 1.00 65.25 H new ATOM 0 HB3 HIS A 347 -2.416 6.681 -1.255 1.00 65.25 H new ATOM 0 HD2 HIS A 347 -4.307 5.315 -3.334 1.00 51.23 H new ATOM 0 HE1 HIS A 347 -4.750 2.064 -0.655 1.00 72.42 H new ATOM 0 HE2 HIS A 347 -5.714 3.270 -2.738 1.00 70.45 H new ATOM 39 N MET A 348 1.127 6.403 -3.402 1.00 12.12 N ATOM 40 CA MET A 348 2.451 6.983 -3.260 1.00 45.00 C ATOM 41 C MET A 348 2.375 8.381 -2.642 1.00 71.33 C ATOM 42 O MET A 348 2.690 8.562 -1.467 1.00 73.11 O ATOM 43 CB MET A 348 3.122 7.067 -4.633 1.00 15.51 C ATOM 44 CG MET A 348 3.882 5.779 -4.952 1.00 23.12 C ATOM 45 SD MET A 348 2.742 4.511 -5.477 1.00 74.52 S ATOM 46 CE MET A 348 3.895 3.268 -6.036 1.00 42.32 C ATOM 0 H MET A 348 0.946 5.969 -4.307 1.00 12.12 H new ATOM 0 HA MET A 348 3.037 6.345 -2.598 1.00 45.00 H new ATOM 0 HB2 MET A 348 2.368 7.248 -5.399 1.00 15.51 H new ATOM 0 HB3 MET A 348 3.809 7.913 -4.655 1.00 15.51 H new ATOM 0 HG2 MET A 348 4.617 5.965 -5.735 1.00 23.12 H new ATOM 0 HG3 MET A 348 4.431 5.444 -4.072 1.00 23.12 H new ATOM 0 HE1 MET A 348 3.346 2.400 -6.400 1.00 42.32 H new ATOM 0 HE2 MET A 348 4.506 3.675 -6.842 1.00 42.32 H new ATOM 0 HE3 MET A 348 4.538 2.970 -5.208 1.00 42.32 H new ATOM 56 N GLY A 349 1.955 9.333 -3.462 1.00 50.01 N ATOM 57 CA GLY A 349 1.833 10.709 -3.011 1.00 21.11 C ATOM 58 C GLY A 349 0.893 10.810 -1.808 1.00 3.22 C ATOM 59 O GLY A 349 0.334 9.808 -1.366 1.00 71.44 O ATOM 0 H GLY A 349 1.695 9.179 -4.436 1.00 50.01 H new ATOM 0 HA2 GLY A 349 2.816 11.096 -2.743 1.00 21.11 H new ATOM 0 HA3 GLY A 349 1.457 11.330 -3.824 1.00 21.11 H new ATOM 63 N SER A 350 0.749 12.030 -1.311 1.00 53.04 N ATOM 64 CA SER A 350 -0.114 12.275 -0.168 1.00 4.41 C ATOM 65 C SER A 350 -1.524 12.629 -0.643 1.00 35.22 C ATOM 66 O SER A 350 -1.692 13.424 -1.566 1.00 65.14 O ATOM 67 CB SER A 350 0.445 13.394 0.714 1.00 64.14 C ATOM 68 OG SER A 350 -0.446 13.736 1.771 1.00 10.14 O ATOM 0 H SER A 350 1.215 12.859 -1.679 1.00 53.04 H new ATOM 0 HA SER A 350 -0.157 11.364 0.430 1.00 4.41 H new ATOM 0 HB2 SER A 350 1.402 13.082 1.133 1.00 64.14 H new ATOM 0 HB3 SER A 350 0.637 14.276 0.103 1.00 64.14 H new ATOM 0 HG SER A 350 -0.125 13.344 2.610 1.00 10.14 H new ATOM 74 N ASP A 351 -2.504 12.021 0.010 1.00 22.42 N ATOM 75 CA ASP A 351 -3.895 12.261 -0.334 1.00 1.13 C ATOM 76 C ASP A 351 -4.341 13.595 0.268 1.00 52.34 C ATOM 77 O ASP A 351 -3.590 14.229 1.008 1.00 72.13 O ATOM 78 CB ASP A 351 -4.799 11.163 0.229 1.00 32.13 C ATOM 79 CG ASP A 351 -5.024 9.970 -0.702 1.00 21.32 C ATOM 80 OD1 ASP A 351 -4.305 9.791 -1.696 1.00 43.20 O ATOM 81 OD2 ASP A 351 -5.998 9.193 -0.367 1.00 52.23 O ATOM 0 H ASP A 351 -2.362 11.362 0.776 1.00 22.42 H new ATOM 0 HA ASP A 351 -3.977 12.273 -1.421 1.00 1.13 H new ATOM 0 HB2 ASP A 351 -4.367 10.800 1.162 1.00 32.13 H new ATOM 0 HB3 ASP A 351 -5.767 11.600 0.475 1.00 32.13 H new ATOM 87 N HIS A 352 -5.562 13.983 -0.073 1.00 24.42 N ATOM 88 CA HIS A 352 -6.117 15.230 0.424 1.00 2.12 C ATOM 89 C HIS A 352 -7.523 14.983 0.973 1.00 14.12 C ATOM 90 O HIS A 352 -8.377 14.433 0.279 1.00 21.11 O ATOM 91 CB HIS A 352 -6.084 16.309 -0.660 1.00 14.21 C ATOM 92 CG HIS A 352 -4.742 16.984 -0.815 1.00 13.03 C ATOM 93 ND1 HIS A 352 -4.023 17.477 0.260 1.00 64.23 N ATOM 94 CD2 HIS A 352 -3.997 17.241 -1.928 1.00 13.31 C ATOM 95 CE1 HIS A 352 -2.897 18.006 -0.198 1.00 33.41 C ATOM 96 NE2 HIS A 352 -2.884 17.859 -1.554 1.00 2.21 N ATOM 0 H HIS A 352 -6.182 13.455 -0.687 1.00 24.42 H new ATOM 0 HA HIS A 352 -5.505 15.603 1.245 1.00 2.12 H new ATOM 0 HB2 HIS A 352 -6.366 15.861 -1.613 1.00 14.21 H new ATOM 0 HB3 HIS A 352 -6.835 17.065 -0.429 1.00 14.21 H new ATOM 0 HD2 HIS A 352 -4.267 16.985 -2.942 1.00 13.31 H new ATOM 0 HE1 HIS A 352 -2.126 18.471 0.398 1.00 33.41 H new ATOM 0 HE2 HIS A 352 -2.141 18.173 -2.178 1.00 2.21 H new ATOM 104 N ILE A 353 -7.721 15.402 2.214 1.00 33.14 N ATOM 105 CA ILE A 353 -9.010 15.233 2.865 1.00 43.12 C ATOM 106 C ILE A 353 -9.663 16.603 3.057 1.00 44.52 C ATOM 107 O ILE A 353 -8.971 17.606 3.228 1.00 1.04 O ATOM 108 CB ILE A 353 -8.855 14.438 4.163 1.00 44.40 C ATOM 109 CG1 ILE A 353 -8.754 12.938 3.879 1.00 43.42 C ATOM 110 CG2 ILE A 353 -9.985 14.762 5.142 1.00 31.40 C ATOM 111 CD1 ILE A 353 -7.919 12.233 4.949 1.00 24.41 C ATOM 0 H ILE A 353 -7.011 15.858 2.786 1.00 33.14 H new ATOM 0 HA ILE A 353 -9.680 14.645 2.237 1.00 43.12 H new ATOM 0 HB ILE A 353 -7.921 14.738 4.638 1.00 44.40 H new ATOM 0 HG12 ILE A 353 -9.753 12.502 3.846 1.00 43.42 H new ATOM 0 HG13 ILE A 353 -8.305 12.779 2.899 1.00 43.42 H new ATOM 0 HG21 ILE A 353 -9.851 14.184 6.056 1.00 31.40 H new ATOM 0 HG22 ILE A 353 -9.967 15.826 5.379 1.00 31.40 H new ATOM 0 HG23 ILE A 353 -10.943 14.508 4.689 1.00 31.40 H new ATOM 0 HD11 ILE A 353 -7.863 11.168 4.724 1.00 24.41 H new ATOM 0 HD12 ILE A 353 -6.914 12.655 4.962 1.00 24.41 H new ATOM 0 HD13 ILE A 353 -8.384 12.373 5.925 1.00 24.41 H new ATOM 123 N LYS A 354 -10.987 16.603 3.021 1.00 30.55 N ATOM 124 CA LYS A 354 -11.741 17.833 3.190 1.00 50.35 C ATOM 125 C LYS A 354 -12.517 17.775 4.507 1.00 72.03 C ATOM 126 O LYS A 354 -13.164 16.772 4.807 1.00 42.55 O ATOM 127 CB LYS A 354 -12.623 18.092 1.967 1.00 54.23 C ATOM 128 CG LYS A 354 -13.426 19.384 2.133 1.00 3.42 C ATOM 129 CD LYS A 354 -12.507 20.607 2.108 1.00 4.35 C ATOM 130 CE LYS A 354 -13.300 21.883 1.818 1.00 4.25 C ATOM 131 NZ LYS A 354 -12.418 22.921 1.238 1.00 20.31 N ATOM 0 H LYS A 354 -11.557 15.770 2.877 1.00 30.55 H new ATOM 0 HA LYS A 354 -11.067 18.687 3.255 1.00 50.35 H new ATOM 0 HB2 LYS A 354 -12.002 18.158 1.074 1.00 54.23 H new ATOM 0 HB3 LYS A 354 -13.303 17.253 1.821 1.00 54.23 H new ATOM 0 HG2 LYS A 354 -14.164 19.463 1.335 1.00 3.42 H new ATOM 0 HG3 LYS A 354 -13.976 19.357 3.074 1.00 3.42 H new ATOM 0 HD2 LYS A 354 -11.996 20.702 3.066 1.00 4.35 H new ATOM 0 HD3 LYS A 354 -11.737 20.472 1.348 1.00 4.35 H new ATOM 0 HE2 LYS A 354 -14.115 21.663 1.128 1.00 4.25 H new ATOM 0 HE3 LYS A 354 -13.752 22.254 2.738 1.00 4.25 H new ATOM 0 HZ1 LYS A 354 -12.972 23.780 1.047 1.00 20.31 H new ATOM 0 HZ2 LYS A 354 -11.655 23.143 1.909 1.00 20.31 H new ATOM 0 HZ3 LYS A 354 -12.006 22.570 0.350 1.00 20.31 H new ATOM 144 N VAL A 355 -12.427 18.863 5.258 1.00 34.51 N ATOM 145 CA VAL A 355 -13.113 18.948 6.536 1.00 32.23 C ATOM 146 C VAL A 355 -14.532 19.476 6.315 1.00 71.53 C ATOM 147 O VAL A 355 -14.773 20.247 5.388 1.00 55.13 O ATOM 148 CB VAL A 355 -12.302 19.805 7.509 1.00 4.25 C ATOM 149 CG1 VAL A 355 -13.139 20.190 8.731 1.00 62.40 C ATOM 150 CG2 VAL A 355 -11.016 19.090 7.929 1.00 44.31 C ATOM 0 H VAL A 355 -11.890 19.693 5.006 1.00 34.51 H new ATOM 0 HA VAL A 355 -13.201 17.960 6.988 1.00 32.23 H new ATOM 0 HB VAL A 355 -12.022 20.723 6.992 1.00 4.25 H new ATOM 0 HG11 VAL A 355 -12.538 20.799 9.406 1.00 62.40 H new ATOM 0 HG12 VAL A 355 -14.012 20.758 8.410 1.00 62.40 H new ATOM 0 HG13 VAL A 355 -13.464 19.287 9.248 1.00 62.40 H new ATOM 0 HG21 VAL A 355 -10.458 19.721 8.621 1.00 44.31 H new ATOM 0 HG22 VAL A 355 -11.266 18.148 8.418 1.00 44.31 H new ATOM 0 HG23 VAL A 355 -10.406 18.890 7.048 1.00 44.31 H new ATOM 160 N THR A 356 -15.434 19.038 7.181 1.00 2.44 N ATOM 161 CA THR A 356 -16.822 19.457 7.092 1.00 13.11 C ATOM 162 C THR A 356 -17.204 20.300 8.310 1.00 14.40 C ATOM 163 O THR A 356 -16.669 20.102 9.400 1.00 72.04 O ATOM 164 CB THR A 356 -17.684 18.204 6.926 1.00 12.00 C ATOM 165 OG1 THR A 356 -17.117 17.269 7.839 1.00 20.14 O ATOM 166 CG2 THR A 356 -17.502 17.545 5.557 1.00 11.12 C ATOM 0 H THR A 356 -15.230 18.397 7.948 1.00 2.44 H new ATOM 0 HA THR A 356 -16.986 20.100 6.227 1.00 13.11 H new ATOM 0 HB THR A 356 -18.733 18.464 7.067 1.00 12.00 H new ATOM 0 HG1 THR A 356 -17.709 16.493 7.922 1.00 20.14 H new ATOM 0 HG21 THR A 356 -18.136 16.661 5.492 1.00 11.12 H new ATOM 0 HG22 THR A 356 -17.781 18.250 4.774 1.00 11.12 H new ATOM 0 HG23 THR A 356 -16.459 17.254 5.429 1.00 11.12 H new ATOM 174 N GLN A 357 -18.127 21.224 8.084 1.00 33.14 N ATOM 175 CA GLN A 357 -18.587 22.098 9.150 1.00 53.32 C ATOM 176 C GLN A 357 -18.972 21.277 10.382 1.00 72.32 C ATOM 177 O GLN A 357 -18.783 21.722 11.513 1.00 71.42 O ATOM 178 CB GLN A 357 -19.758 22.965 8.681 1.00 21.30 C ATOM 179 CG GLN A 357 -19.261 24.172 7.882 1.00 34.44 C ATOM 180 CD GLN A 357 -20.387 25.185 7.665 1.00 44.34 C ATOM 181 OE1 GLN A 357 -20.811 25.451 6.552 1.00 42.21 O ATOM 182 NE2 GLN A 357 -20.845 25.735 8.786 1.00 64.50 N ATOM 0 H GLN A 357 -18.568 21.386 7.179 1.00 33.14 H new ATOM 0 HA GLN A 357 -17.770 22.765 9.424 1.00 53.32 H new ATOM 0 HB2 GLN A 357 -20.432 22.370 8.066 1.00 21.30 H new ATOM 0 HB3 GLN A 357 -20.331 23.306 9.543 1.00 21.30 H new ATOM 0 HG2 GLN A 357 -18.435 24.648 8.411 1.00 34.44 H new ATOM 0 HG3 GLN A 357 -18.874 23.841 6.918 1.00 34.44 H new ATOM 0 HE21 GLN A 357 -20.445 25.467 9.686 1.00 64.50 H new ATOM 0 HE22 GLN A 357 -21.596 26.424 8.746 1.00 64.50 H new ATOM 191 N GLU A 358 -19.505 20.092 10.121 1.00 53.22 N ATOM 192 CA GLU A 358 -19.918 19.204 11.194 1.00 14.44 C ATOM 193 C GLU A 358 -18.743 18.925 12.134 1.00 74.44 C ATOM 194 O GLU A 358 -18.858 19.098 13.346 1.00 52.32 O ATOM 195 CB GLU A 358 -20.497 17.902 10.637 1.00 1.31 C ATOM 196 CG GLU A 358 -19.489 17.200 9.725 1.00 4.32 C ATOM 197 CD GLU A 358 -20.199 16.295 8.717 1.00 60.21 C ATOM 198 OE1 GLU A 358 -21.329 15.851 8.971 1.00 64.22 O ATOM 199 OE2 GLU A 358 -19.536 16.057 7.636 1.00 12.20 O ATOM 0 H GLU A 358 -19.660 19.726 9.182 1.00 53.22 H new ATOM 0 HA GLU A 358 -20.705 19.697 11.765 1.00 14.44 H new ATOM 0 HB2 GLU A 358 -20.771 17.241 11.459 1.00 1.31 H new ATOM 0 HB3 GLU A 358 -21.410 18.114 10.081 1.00 1.31 H new ATOM 0 HG2 GLU A 358 -18.893 17.943 9.195 1.00 4.32 H new ATOM 0 HG3 GLU A 358 -18.799 16.609 10.327 1.00 4.32 H new ATOM 207 N GLN A 359 -17.640 18.496 11.538 1.00 52.10 N ATOM 208 CA GLN A 359 -16.445 18.191 12.306 1.00 33.43 C ATOM 209 C GLN A 359 -16.025 19.403 13.139 1.00 50.52 C ATOM 210 O GLN A 359 -16.090 19.371 14.367 1.00 61.43 O ATOM 211 CB GLN A 359 -15.308 17.733 11.392 1.00 64.53 C ATOM 212 CG GLN A 359 -15.729 16.522 10.556 1.00 32.14 C ATOM 213 CD GLN A 359 -14.961 16.474 9.234 1.00 20.11 C ATOM 214 OE1 GLN A 359 -14.144 17.327 8.930 1.00 44.01 O ATOM 215 NE2 GLN A 359 -15.268 15.431 8.468 1.00 40.14 N ATOM 0 H GLN A 359 -17.549 18.352 10.532 1.00 52.10 H new ATOM 0 HA GLN A 359 -16.674 17.370 12.986 1.00 33.43 H new ATOM 0 HB2 GLN A 359 -15.015 18.550 10.733 1.00 64.53 H new ATOM 0 HB3 GLN A 359 -14.434 17.479 11.992 1.00 64.53 H new ATOM 0 HG2 GLN A 359 -15.548 15.606 11.119 1.00 32.14 H new ATOM 0 HG3 GLN A 359 -16.800 16.568 10.357 1.00 32.14 H new ATOM 0 HE21 GLN A 359 -15.962 14.753 8.783 1.00 40.14 H new ATOM 0 HE22 GLN A 359 -14.809 15.309 7.565 1.00 40.14 H new ATOM 224 N TYR A 360 -15.603 20.445 12.437 1.00 14.32 N ATOM 225 CA TYR A 360 -15.173 21.667 13.096 1.00 25.52 C ATOM 226 C TYR A 360 -16.141 22.057 14.215 1.00 62.12 C ATOM 227 O TYR A 360 -15.716 22.401 15.317 1.00 63.43 O ATOM 228 CB TYR A 360 -15.189 22.755 12.021 1.00 72.53 C ATOM 229 CG TYR A 360 -14.167 23.870 12.248 1.00 13.13 C ATOM 230 CD1 TYR A 360 -12.889 23.560 12.666 1.00 11.44 C ATOM 231 CD2 TYR A 360 -14.524 25.186 12.035 1.00 4.54 C ATOM 232 CE1 TYR A 360 -11.927 24.610 12.881 1.00 52.44 C ATOM 233 CE2 TYR A 360 -13.562 26.236 12.250 1.00 42.53 C ATOM 234 CZ TYR A 360 -12.311 25.897 12.662 1.00 71.43 C ATOM 235 OH TYR A 360 -11.403 26.888 12.864 1.00 3.40 O ATOM 0 H TYR A 360 -15.550 20.468 11.419 1.00 14.32 H new ATOM 0 HA TYR A 360 -14.187 21.535 13.542 1.00 25.52 H new ATOM 0 HB2 TYR A 360 -15.000 22.295 11.051 1.00 72.53 H new ATOM 0 HB3 TYR A 360 -16.186 23.194 11.977 1.00 72.53 H new ATOM 0 HD1 TYR A 360 -12.610 22.530 12.832 1.00 11.44 H new ATOM 0 HD2 TYR A 360 -15.524 25.428 11.707 1.00 4.54 H new ATOM 0 HE1 TYR A 360 -10.924 24.381 13.209 1.00 52.44 H new ATOM 0 HE2 TYR A 360 -13.828 27.270 12.088 1.00 42.53 H new ATOM 0 HH TYR A 360 -11.816 27.755 12.668 1.00 3.40 H new ATOM 245 N GLU A 361 -17.424 21.991 13.893 1.00 72.13 N ATOM 246 CA GLU A 361 -18.456 22.333 14.857 1.00 53.24 C ATOM 247 C GLU A 361 -18.389 21.394 16.062 1.00 30.24 C ATOM 248 O GLU A 361 -18.510 21.834 17.204 1.00 1.35 O ATOM 249 CB GLU A 361 -19.843 22.298 14.211 1.00 42.20 C ATOM 250 CG GLU A 361 -20.212 23.665 13.630 1.00 63.42 C ATOM 251 CD GLU A 361 -21.727 23.876 13.646 1.00 40.31 C ATOM 252 OE1 GLU A 361 -22.401 23.463 14.602 1.00 45.35 O ATOM 253 OE2 GLU A 361 -22.202 24.496 12.619 1.00 62.12 O ATOM 0 H GLU A 361 -17.773 21.706 12.978 1.00 72.13 H new ATOM 0 HA GLU A 361 -18.278 23.351 15.204 1.00 53.24 H new ATOM 0 HB2 GLU A 361 -19.862 21.546 13.422 1.00 42.20 H new ATOM 0 HB3 GLU A 361 -20.586 22.001 14.952 1.00 42.20 H new ATOM 0 HG2 GLU A 361 -19.725 24.452 14.206 1.00 63.42 H new ATOM 0 HG3 GLU A 361 -19.841 23.742 12.608 1.00 63.42 H new ATOM 261 N LEU A 362 -18.196 20.117 15.767 1.00 35.42 N ATOM 262 CA LEU A 362 -18.112 19.111 16.813 1.00 43.31 C ATOM 263 C LEU A 362 -16.926 19.430 17.726 1.00 12.10 C ATOM 264 O LEU A 362 -17.036 19.458 18.952 1.00 12.22 O ATOM 265 CB LEU A 362 -18.059 17.708 16.204 1.00 14.44 C ATOM 266 CG LEU A 362 -19.352 17.211 15.553 1.00 3.14 C ATOM 267 CD1 LEU A 362 -19.050 16.286 14.373 1.00 50.02 C ATOM 268 CD2 LEU A 362 -20.264 16.545 16.585 1.00 32.10 C ATOM 0 H LEU A 362 -18.095 19.755 14.819 1.00 35.42 H new ATOM 0 HA LEU A 362 -19.008 19.130 17.434 1.00 43.31 H new ATOM 0 HB2 LEU A 362 -17.267 17.688 15.455 1.00 14.44 H new ATOM 0 HB3 LEU A 362 -17.775 17.004 16.986 1.00 14.44 H new ATOM 0 HG LEU A 362 -19.889 18.073 15.157 1.00 3.14 H new ATOM 0 HD11 LEU A 362 -19.985 15.947 13.928 1.00 50.02 H new ATOM 0 HD12 LEU A 362 -18.468 16.827 13.627 1.00 50.02 H new ATOM 0 HD13 LEU A 362 -18.481 15.424 14.722 1.00 50.02 H new ATOM 0 HD21 LEU A 362 -21.176 16.201 16.097 1.00 32.10 H new ATOM 0 HD22 LEU A 362 -19.748 15.695 17.031 1.00 32.10 H new ATOM 0 HD23 LEU A 362 -20.519 17.264 17.363 1.00 32.10 H new HETATM 280 N PTR A 363 -15.781 19.672 17.096 1.00 31.31 N HETATM 281 CA PTR A 363 -14.560 19.990 17.826 1.00 20.45 C HETATM 282 C PTR A 363 -14.589 21.427 18.335 1.00 55.22 C HETATM 283 O PTR A 363 -13.782 21.779 19.193 1.00 2.11 O HETATM 284 CB PTR A 363 -13.337 19.778 16.932 1.00 22.20 C HETATM 285 CG PTR A 363 -12.842 18.349 16.910 1.00 75.14 C HETATM 286 CD1 PTR A 363 -13.666 17.316 16.481 1.00 33.42 C HETATM 287 CD2 PTR A 363 -11.552 18.034 17.316 1.00 1.33 C HETATM 288 CE1 PTR A 363 -13.218 16.009 16.460 1.00 41.13 C HETATM 289 CE2 PTR A 363 -11.096 16.730 17.297 1.00 53.21 C HETATM 290 CZ PTR A 363 -11.933 15.722 16.868 1.00 70.40 C HETATM 291 OH PTR A 363 -11.461 14.361 16.847 1.00 74.10 O HETATM 292 P PTR A 363 -10.115 13.970 16.018 1.00 71.44 P HETATM 293 O1P PTR A 363 -9.143 13.412 17.045 1.00 52.11 O HETATM 294 O2P PTR A 363 -9.628 15.263 15.384 1.00 74.15 O HETATM 295 O3P PTR A 363 -10.546 12.935 14.991 1.00 61.32 O HETATM 0 HE2 PTR A 363 -10.081 16.500 17.619 1.00 53.21 H new HETATM 0 HE1 PTR A 363 -13.877 15.209 16.123 1.00 41.13 H new HETATM 0 HD2 PTR A 363 -10.888 18.829 17.655 1.00 1.33 H new HETATM 0 HD1 PTR A 363 -14.682 17.540 16.156 1.00 33.42 H new HETATM 0 HB3 PTR A 363 -13.584 20.084 15.915 1.00 22.20 H new HETATM 0 HB2 PTR A 363 -12.531 20.427 17.274 1.00 22.20 H new HETATM 0 HA PTR A 363 -14.495 19.321 18.684 1.00 20.45 H new ATOM 304 N CYS A 364 -15.509 22.218 17.800 1.00 22.54 N ATOM 305 CA CYS A 364 -15.630 23.607 18.208 1.00 43.01 C ATOM 306 C CYS A 364 -16.051 23.642 19.678 1.00 33.52 C ATOM 307 O CYS A 364 -15.615 24.510 20.433 1.00 61.45 O ATOM 308 CB CYS A 364 -16.607 24.375 17.316 1.00 42.23 C ATOM 309 SG CYS A 364 -15.709 25.136 15.914 1.00 31.22 S ATOM 0 H CYS A 364 -16.177 21.923 17.088 1.00 22.54 H new ATOM 0 HA CYS A 364 -14.668 24.107 18.095 1.00 43.01 H new ATOM 0 HB2 CYS A 364 -17.378 23.701 16.942 1.00 42.23 H new ATOM 0 HB3 CYS A 364 -17.113 25.147 17.896 1.00 42.23 H new ATOM 0 HG CYS A 364 -15.236 24.202 15.143 1.00 31.22 H new ATOM 315 N GLU A 365 -16.895 22.687 20.041 1.00 21.43 N ATOM 316 CA GLU A 365 -17.380 22.597 21.408 1.00 73.11 C ATOM 317 C GLU A 365 -16.244 22.192 22.349 1.00 11.44 C ATOM 318 O GLU A 365 -16.410 22.200 23.568 1.00 15.21 O ATOM 319 CB GLU A 365 -18.552 21.618 21.510 1.00 1.25 C ATOM 320 CG GLU A 365 -19.787 22.165 20.793 1.00 75.15 C ATOM 321 CD GLU A 365 -21.006 21.274 21.043 1.00 11.53 C ATOM 322 OE1 GLU A 365 -21.004 20.473 21.989 1.00 31.05 O ATOM 323 OE2 GLU A 365 -21.981 21.438 20.214 1.00 64.30 O ATOM 0 H GLU A 365 -17.255 21.969 19.412 1.00 21.43 H new ATOM 0 HA GLU A 365 -17.742 23.580 21.710 1.00 73.11 H new ATOM 0 HB2 GLU A 365 -18.269 20.660 21.075 1.00 1.25 H new ATOM 0 HB3 GLU A 365 -18.787 21.435 22.558 1.00 1.25 H new ATOM 0 HG2 GLU A 365 -19.995 23.177 21.140 1.00 75.15 H new ATOM 0 HG3 GLU A 365 -19.592 22.229 19.722 1.00 75.15 H new ATOM 331 N MET A 366 -15.115 21.849 21.748 1.00 25.54 N ATOM 332 CA MET A 366 -13.951 21.442 22.518 1.00 71.31 C ATOM 333 C MET A 366 -12.884 22.539 22.521 1.00 74.35 C ATOM 334 O MET A 366 -12.184 22.726 23.514 1.00 14.44 O ATOM 335 CB MET A 366 -13.365 20.161 21.920 1.00 53.24 C ATOM 336 CG MET A 366 -14.470 19.264 21.357 1.00 24.11 C ATOM 337 SD MET A 366 -15.618 18.825 22.651 1.00 23.53 S ATOM 338 CE MET A 366 -16.945 18.144 21.670 1.00 0.54 C ATOM 0 H MET A 366 -14.981 21.844 20.737 1.00 25.54 H new ATOM 0 HA MET A 366 -14.264 21.263 23.547 1.00 71.31 H new ATOM 0 HB2 MET A 366 -12.659 20.414 21.129 1.00 53.24 H new ATOM 0 HB3 MET A 366 -12.807 19.621 22.685 1.00 53.24 H new ATOM 0 HG2 MET A 366 -14.995 19.781 20.554 1.00 24.11 H new ATOM 0 HG3 MET A 366 -14.034 18.363 20.925 1.00 24.11 H new ATOM 0 HE1 MET A 366 -17.315 17.233 22.141 1.00 0.54 H new ATOM 0 HE2 MET A 366 -17.755 18.870 21.599 1.00 0.54 H new ATOM 0 HE3 MET A 366 -16.577 17.912 20.671 1.00 0.54 H new ATOM 348 N GLY A 367 -12.794 23.234 21.397 1.00 51.53 N ATOM 349 CA GLY A 367 -11.825 24.308 21.257 1.00 64.21 C ATOM 350 C GLY A 367 -10.503 23.783 20.692 1.00 72.13 C ATOM 351 O GLY A 367 -9.433 24.101 21.208 1.00 51.21 O ATOM 0 H GLY A 367 -13.376 23.075 20.575 1.00 51.53 H new ATOM 0 HA2 GLY A 367 -12.225 25.080 20.599 1.00 64.21 H new ATOM 0 HA3 GLY A 367 -11.651 24.774 22.227 1.00 64.21 H new ATOM 355 N SER A 368 -10.621 22.988 19.639 1.00 72.53 N ATOM 356 CA SER A 368 -9.449 22.415 18.998 1.00 53.52 C ATOM 357 C SER A 368 -9.654 22.365 17.482 1.00 21.14 C ATOM 358 O SER A 368 -10.654 22.865 16.970 1.00 34.14 O ATOM 359 CB SER A 368 -9.153 21.016 19.540 1.00 21.03 C ATOM 360 OG SER A 368 -7.847 20.571 19.185 1.00 45.30 O ATOM 0 H SER A 368 -11.510 22.727 19.213 1.00 72.53 H new ATOM 0 HA SER A 368 -8.592 23.050 19.222 1.00 53.52 H new ATOM 0 HB2 SER A 368 -9.252 21.019 20.625 1.00 21.03 H new ATOM 0 HB3 SER A 368 -9.892 20.314 19.155 1.00 21.03 H new ATOM 0 HG SER A 368 -7.696 19.675 19.551 1.00 45.30 H new ATOM 366 N THR A 369 -8.690 21.757 16.807 1.00 22.53 N ATOM 367 CA THR A 369 -8.752 21.634 15.361 1.00 44.13 C ATOM 368 C THR A 369 -8.586 20.172 14.942 1.00 43.03 C ATOM 369 O THR A 369 -7.785 19.443 15.524 1.00 20.55 O ATOM 370 CB THR A 369 -7.692 22.562 14.762 1.00 33.41 C ATOM 371 OG1 THR A 369 -6.588 22.451 15.656 1.00 33.42 O ATOM 372 CG2 THR A 369 -8.091 24.036 14.844 1.00 14.43 C ATOM 0 H THR A 369 -7.861 21.344 17.235 1.00 22.53 H new ATOM 0 HA THR A 369 -9.726 21.940 14.980 1.00 44.13 H new ATOM 0 HB THR A 369 -7.519 22.290 13.721 1.00 33.41 H new ATOM 0 HG1 THR A 369 -5.854 23.020 15.342 1.00 33.42 H new ATOM 0 HG21 THR A 369 -7.305 24.651 14.406 1.00 14.43 H new ATOM 0 HG22 THR A 369 -9.021 24.192 14.297 1.00 14.43 H new ATOM 0 HG23 THR A 369 -8.232 24.317 15.888 1.00 14.43 H new ATOM 380 N PHE A 370 -9.356 19.788 13.934 1.00 23.44 N ATOM 381 CA PHE A 370 -9.304 18.426 13.431 1.00 72.45 C ATOM 382 C PHE A 370 -7.881 18.049 13.013 1.00 32.21 C ATOM 383 O PHE A 370 -7.228 17.246 13.677 1.00 22.32 O ATOM 384 CB PHE A 370 -10.215 18.368 12.203 1.00 52.33 C ATOM 385 CG PHE A 370 -10.173 17.032 11.458 1.00 1.14 C ATOM 386 CD1 PHE A 370 -10.958 16.000 11.869 1.00 42.12 C ATOM 387 CD2 PHE A 370 -9.351 16.877 10.386 1.00 25.44 C ATOM 388 CE1 PHE A 370 -10.919 14.760 11.178 1.00 43.01 C ATOM 389 CE2 PHE A 370 -9.311 15.637 9.696 1.00 74.43 C ATOM 390 CZ PHE A 370 -10.096 14.604 10.106 1.00 53.51 C ATOM 0 H PHE A 370 -10.019 20.396 13.453 1.00 23.44 H new ATOM 0 HA PHE A 370 -9.622 17.731 14.208 1.00 72.45 H new ATOM 0 HB2 PHE A 370 -11.241 18.566 12.515 1.00 52.33 H new ATOM 0 HB3 PHE A 370 -9.931 19.165 11.515 1.00 52.33 H new ATOM 0 HD1 PHE A 370 -11.611 16.124 12.721 1.00 42.12 H new ATOM 0 HD2 PHE A 370 -8.729 17.697 10.060 1.00 25.44 H new ATOM 0 HE1 PHE A 370 -11.543 13.941 11.504 1.00 43.01 H new ATOM 0 HE2 PHE A 370 -8.657 15.514 8.845 1.00 74.43 H new ATOM 0 HZ PHE A 370 -10.066 13.661 9.581 1.00 53.51 H new ATOM 400 N GLN A 371 -7.443 18.647 11.915 1.00 21.30 N ATOM 401 CA GLN A 371 -6.109 18.384 11.401 1.00 34.12 C ATOM 402 C GLN A 371 -5.114 18.246 12.555 1.00 62.43 C ATOM 403 O GLN A 371 -4.130 17.516 12.446 1.00 63.22 O ATOM 404 CB GLN A 371 -5.671 19.479 10.427 1.00 14.52 C ATOM 405 CG GLN A 371 -5.856 20.867 11.044 1.00 3.42 C ATOM 406 CD GLN A 371 -7.234 21.439 10.706 1.00 42.35 C ATOM 407 OE1 GLN A 371 -7.461 21.991 9.641 1.00 32.41 O ATOM 408 NE2 GLN A 371 -8.138 21.278 11.668 1.00 61.15 N ATOM 0 H GLN A 371 -7.988 19.313 11.367 1.00 21.30 H new ATOM 0 HA GLN A 371 -6.131 17.443 10.851 1.00 34.12 H new ATOM 0 HB2 GLN A 371 -4.625 19.334 10.157 1.00 14.52 H new ATOM 0 HB3 GLN A 371 -6.251 19.406 9.507 1.00 14.52 H new ATOM 0 HG2 GLN A 371 -5.739 20.806 12.126 1.00 3.42 H new ATOM 0 HG3 GLN A 371 -5.080 21.538 10.677 1.00 3.42 H new ATOM 0 HE21 GLN A 371 -7.881 20.807 12.535 1.00 61.15 H new ATOM 0 HE22 GLN A 371 -9.088 21.626 11.538 1.00 61.15 H new ATOM 417 N LEU A 372 -5.404 18.958 13.633 1.00 31.14 N ATOM 418 CA LEU A 372 -4.547 18.924 14.806 1.00 64.21 C ATOM 419 C LEU A 372 -4.692 17.568 15.500 1.00 72.14 C ATOM 420 O LEU A 372 -5.781 17.147 15.890 1.00 42.12 O ATOM 421 CB LEU A 372 -4.839 20.116 15.719 1.00 54.22 C ATOM 422 CG LEU A 372 -3.734 20.492 16.707 1.00 24.44 C ATOM 423 CD1 LEU A 372 -4.322 21.084 17.989 1.00 32.14 C ATOM 424 CD2 LEU A 372 -2.825 19.295 16.994 1.00 63.43 C ATOM 0 H LEU A 372 -6.221 19.563 13.719 1.00 31.14 H new ATOM 0 HA LEU A 372 -3.501 19.024 14.515 1.00 64.21 H new ATOM 0 HB2 LEU A 372 -5.050 20.984 15.094 1.00 54.22 H new ATOM 0 HB3 LEU A 372 -5.746 19.902 16.284 1.00 54.22 H new ATOM 0 HG LEU A 372 -3.116 21.265 16.250 1.00 24.44 H new ATOM 0 HD11 LEU A 372 -3.515 21.343 18.674 1.00 32.14 H new ATOM 0 HD12 LEU A 372 -4.894 21.980 17.747 1.00 32.14 H new ATOM 0 HD13 LEU A 372 -4.977 20.352 18.461 1.00 32.14 H new ATOM 0 HD21 LEU A 372 -2.048 19.589 17.699 1.00 63.43 H new ATOM 0 HD22 LEU A 372 -3.415 18.484 17.422 1.00 63.43 H new ATOM 0 HD23 LEU A 372 -2.364 18.958 16.066 1.00 63.43 H new ATOM 436 N CYS A 373 -3.560 16.887 15.646 1.00 43.11 N ATOM 437 CA CYS A 373 -3.531 15.578 16.287 1.00 52.05 C ATOM 438 C CYS A 373 -4.061 15.659 17.715 1.00 3.24 C ATOM 439 O CYS A 373 -3.682 16.573 18.447 1.00 61.14 O ATOM 440 CB CYS A 373 -2.107 15.019 16.290 1.00 12.20 C ATOM 441 SG CYS A 373 -1.001 15.811 17.502 1.00 12.03 S ATOM 0 H CYS A 373 -2.650 17.221 15.329 1.00 43.11 H new ATOM 0 HA CYS A 373 -4.175 14.908 15.717 1.00 52.05 H new ATOM 0 HB2 CYS A 373 -2.148 13.949 16.496 1.00 12.20 H new ATOM 0 HB3 CYS A 373 -1.680 15.135 15.294 1.00 12.20 H new ATOM 446 N LYS A 374 -4.915 14.714 18.077 1.00 34.33 N ATOM 447 CA LYS A 374 -5.485 14.691 19.414 1.00 51.52 C ATOM 448 C LYS A 374 -4.689 13.720 20.287 1.00 64.42 C ATOM 449 O LYS A 374 -5.245 13.085 21.182 1.00 44.20 O ATOM 450 CB LYS A 374 -6.982 14.379 19.353 1.00 24.13 C ATOM 451 CG LYS A 374 -7.706 15.346 18.415 1.00 71.35 C ATOM 452 CD LYS A 374 -7.159 16.767 18.562 1.00 21.13 C ATOM 453 CE LYS A 374 -7.932 17.747 17.677 1.00 65.42 C ATOM 454 NZ LYS A 374 -8.234 17.132 16.365 1.00 35.41 N ATOM 0 H LYS A 374 -5.227 13.958 17.468 1.00 34.33 H new ATOM 0 HA LYS A 374 -5.407 15.674 19.878 1.00 51.52 H new ATOM 0 HB2 LYS A 374 -7.130 13.355 19.010 1.00 24.13 H new ATOM 0 HB3 LYS A 374 -7.412 14.446 20.352 1.00 24.13 H new ATOM 0 HG2 LYS A 374 -7.590 15.013 17.384 1.00 71.35 H new ATOM 0 HG3 LYS A 374 -8.774 15.339 18.634 1.00 71.35 H new ATOM 0 HD2 LYS A 374 -7.227 17.081 19.604 1.00 21.13 H new ATOM 0 HD3 LYS A 374 -6.103 16.784 18.293 1.00 21.13 H new ATOM 0 HE2 LYS A 374 -8.859 18.039 18.171 1.00 65.42 H new ATOM 0 HE3 LYS A 374 -7.347 18.656 17.534 1.00 65.42 H new ATOM 0 HZ1 LYS A 374 -8.589 17.861 15.713 1.00 35.41 H new ATOM 0 HZ2 LYS A 374 -7.369 16.709 15.973 1.00 35.41 H new ATOM 0 HZ3 LYS A 374 -8.957 16.394 16.486 1.00 35.41 H new ATOM 467 N ILE A 375 -3.399 13.634 19.996 1.00 60.54 N ATOM 468 CA ILE A 375 -2.520 12.750 20.743 1.00 74.31 C ATOM 469 C ILE A 375 -1.513 13.588 21.533 1.00 32.31 C ATOM 470 O ILE A 375 -1.459 13.507 22.759 1.00 33.42 O ATOM 471 CB ILE A 375 -1.871 11.726 19.810 1.00 62.30 C ATOM 472 CG1 ILE A 375 -2.832 10.575 19.504 1.00 10.24 C ATOM 473 CG2 ILE A 375 -0.543 11.226 20.383 1.00 10.53 C ATOM 474 CD1 ILE A 375 -2.077 9.357 18.969 1.00 44.34 C ATOM 0 H ILE A 375 -2.941 14.162 19.253 1.00 60.54 H new ATOM 0 HA ILE A 375 -3.090 12.169 21.468 1.00 74.31 H new ATOM 0 HB ILE A 375 -1.649 12.220 18.864 1.00 62.30 H new ATOM 0 HG12 ILE A 375 -3.377 10.301 20.408 1.00 10.24 H new ATOM 0 HG13 ILE A 375 -3.572 10.899 18.772 1.00 10.24 H new ATOM 0 HG21 ILE A 375 -0.103 10.499 19.700 1.00 10.53 H new ATOM 0 HG22 ILE A 375 0.139 12.067 20.507 1.00 10.53 H new ATOM 0 HG23 ILE A 375 -0.718 10.755 21.350 1.00 10.53 H new ATOM 0 HD11 ILE A 375 -2.784 8.554 18.760 1.00 44.34 H new ATOM 0 HD12 ILE A 375 -1.553 9.627 18.052 1.00 44.34 H new ATOM 0 HD13 ILE A 375 -1.355 9.020 19.713 1.00 44.34 H new ATOM 486 N CYS A 376 -0.740 14.374 20.798 1.00 30.43 N ATOM 487 CA CYS A 376 0.262 15.226 21.415 1.00 64.40 C ATOM 488 C CYS A 376 -0.214 16.676 21.316 1.00 4.34 C ATOM 489 O CYS A 376 0.327 17.557 21.983 1.00 41.40 O ATOM 490 CB CYS A 376 1.639 15.032 20.777 1.00 44.23 C ATOM 491 SG CYS A 376 1.786 15.658 19.063 1.00 33.12 S ATOM 0 H CYS A 376 -0.787 14.439 19.781 1.00 30.43 H new ATOM 0 HA CYS A 376 0.379 14.954 22.464 1.00 64.40 H new ATOM 0 HB2 CYS A 376 2.384 15.531 21.396 1.00 44.23 H new ATOM 0 HB3 CYS A 376 1.880 13.969 20.783 1.00 44.23 H new ATOM 496 N ALA A 377 -1.220 16.880 20.480 1.00 74.55 N ATOM 497 CA ALA A 377 -1.775 18.208 20.285 1.00 14.31 C ATOM 498 C ALA A 377 -0.636 19.205 20.063 1.00 62.33 C ATOM 499 O ALA A 377 -0.662 20.313 20.596 1.00 75.12 O ATOM 500 CB ALA A 377 -2.647 18.578 21.487 1.00 53.43 C ATOM 0 H ALA A 377 -1.666 16.147 19.929 1.00 74.55 H new ATOM 0 HA ALA A 377 -2.411 18.232 19.400 1.00 14.31 H new ATOM 0 HB1 ALA A 377 -3.064 19.575 21.341 1.00 53.43 H new ATOM 0 HB2 ALA A 377 -3.458 17.856 21.584 1.00 53.43 H new ATOM 0 HB3 ALA A 377 -2.041 18.567 22.393 1.00 53.43 H new ATOM 506 N GLU A 378 0.338 18.774 19.274 1.00 3.44 N ATOM 507 CA GLU A 378 1.485 19.615 18.975 1.00 61.11 C ATOM 508 C GLU A 378 1.625 19.803 17.463 1.00 55.50 C ATOM 509 O GLU A 378 1.921 20.902 16.996 1.00 61.14 O ATOM 510 CB GLU A 378 2.765 19.030 19.575 1.00 62.13 C ATOM 511 CG GLU A 378 3.912 20.041 19.512 1.00 71.10 C ATOM 512 CD GLU A 378 3.548 21.329 20.252 1.00 0.45 C ATOM 513 OE1 GLU A 378 3.314 22.366 19.614 1.00 2.40 O ATOM 514 OE2 GLU A 378 3.511 21.228 21.538 1.00 63.31 O ATOM 0 H GLU A 378 0.356 17.854 18.833 1.00 3.44 H new ATOM 0 HA GLU A 378 1.323 20.592 19.430 1.00 61.11 H new ATOM 0 HB2 GLU A 378 2.586 18.741 20.611 1.00 62.13 H new ATOM 0 HB3 GLU A 378 3.043 18.125 19.035 1.00 62.13 H new ATOM 0 HG2 GLU A 378 4.810 19.606 19.952 1.00 71.10 H new ATOM 0 HG3 GLU A 378 4.145 20.268 18.472 1.00 71.10 H new ATOM 522 N ASN A 379 1.404 18.715 16.740 1.00 10.22 N ATOM 523 CA ASN A 379 1.501 18.747 15.291 1.00 63.03 C ATOM 524 C ASN A 379 0.199 18.220 14.685 1.00 61.42 C ATOM 525 O ASN A 379 -0.654 17.696 15.399 1.00 74.32 O ATOM 526 CB ASN A 379 2.646 17.861 14.796 1.00 31.41 C ATOM 527 CG ASN A 379 3.833 17.908 15.761 1.00 54.13 C ATOM 528 OD1 ASN A 379 3.990 18.828 16.547 1.00 63.32 O ATOM 529 ND2 ASN A 379 4.656 16.869 15.657 1.00 32.33 N ATOM 0 H ASN A 379 1.158 17.806 17.131 1.00 10.22 H new ATOM 0 HA ASN A 379 1.686 19.778 14.988 1.00 63.03 H new ATOM 0 HB2 ASN A 379 2.297 16.834 14.693 1.00 31.41 H new ATOM 0 HB3 ASN A 379 2.964 18.190 13.807 1.00 31.41 H new ATOM 0 HD21 ASN A 379 5.478 16.808 16.257 1.00 32.33 H new ATOM 0 HD22 ASN A 379 4.465 16.133 14.977 1.00 32.33 H new ATOM 536 N ASP A 380 0.088 18.377 13.374 1.00 73.50 N ATOM 537 CA ASP A 380 -1.096 17.923 12.664 1.00 60.32 C ATOM 538 C ASP A 380 -1.037 16.403 12.501 1.00 25.55 C ATOM 539 O ASP A 380 -0.046 15.774 12.870 1.00 21.54 O ATOM 540 CB ASP A 380 -1.173 18.545 11.268 1.00 31.51 C ATOM 541 CG ASP A 380 -1.656 19.996 11.233 1.00 74.24 C ATOM 542 OD1 ASP A 380 -2.745 20.319 11.731 1.00 70.22 O ATOM 543 OD2 ASP A 380 -0.853 20.824 10.656 1.00 71.15 O ATOM 0 H ASP A 380 0.798 18.812 12.785 1.00 73.50 H new ATOM 0 HA ASP A 380 -1.971 18.222 13.242 1.00 60.32 H new ATOM 0 HB2 ASP A 380 -0.185 18.495 10.809 1.00 31.51 H new ATOM 0 HB3 ASP A 380 -1.840 17.941 10.654 1.00 31.51 H new ATOM 549 N LYS A 381 -2.110 15.856 11.949 1.00 4.00 N ATOM 550 CA LYS A 381 -2.192 14.421 11.733 1.00 1.43 C ATOM 551 C LYS A 381 -1.287 14.033 10.562 1.00 53.51 C ATOM 552 O LYS A 381 -0.335 13.274 10.733 1.00 2.35 O ATOM 553 CB LYS A 381 -3.649 13.989 11.555 1.00 43.23 C ATOM 554 CG LYS A 381 -4.498 14.415 12.754 1.00 22.44 C ATOM 555 CD LYS A 381 -5.939 14.705 12.331 1.00 50.04 C ATOM 556 CE LYS A 381 -6.918 14.391 13.464 1.00 64.10 C ATOM 557 NZ LYS A 381 -8.314 14.464 12.978 1.00 23.33 N ATOM 0 H LYS A 381 -2.930 16.381 11.645 1.00 4.00 H new ATOM 0 HA LYS A 381 -1.829 13.882 12.608 1.00 1.43 H new ATOM 0 HB2 LYS A 381 -4.054 14.429 10.644 1.00 43.23 H new ATOM 0 HB3 LYS A 381 -3.699 12.907 11.436 1.00 43.23 H new ATOM 0 HG2 LYS A 381 -4.488 13.629 13.509 1.00 22.44 H new ATOM 0 HG3 LYS A 381 -4.065 15.303 13.214 1.00 22.44 H new ATOM 0 HD2 LYS A 381 -6.034 15.752 12.044 1.00 50.04 H new ATOM 0 HD3 LYS A 381 -6.191 14.110 11.453 1.00 50.04 H new ATOM 0 HE2 LYS A 381 -6.717 13.396 13.861 1.00 64.10 H new ATOM 0 HE3 LYS A 381 -6.774 15.096 14.283 1.00 64.10 H new ATOM 0 HZ1 LYS A 381 -8.861 13.672 13.372 1.00 23.33 H new ATOM 0 HZ2 LYS A 381 -8.740 15.363 13.281 1.00 23.33 H new ATOM 0 HZ3 LYS A 381 -8.323 14.409 11.940 1.00 23.33 H new ATOM 570 N ASP A 382 -1.617 14.572 9.397 1.00 13.23 N ATOM 571 CA ASP A 382 -0.847 14.292 8.198 1.00 64.11 C ATOM 572 C ASP A 382 -0.874 12.788 7.919 1.00 23.33 C ATOM 573 O ASP A 382 0.038 12.253 7.291 1.00 63.41 O ATOM 574 CB ASP A 382 0.614 14.714 8.370 1.00 13.53 C ATOM 575 CG ASP A 382 0.855 16.225 8.364 1.00 13.43 C ATOM 576 OD1 ASP A 382 1.965 16.694 8.073 1.00 23.21 O ATOM 577 OD2 ASP A 382 -0.170 16.942 8.680 1.00 54.22 O ATOM 0 H ASP A 382 -2.408 15.201 9.259 1.00 13.23 H new ATOM 0 HA ASP A 382 -1.290 14.852 7.375 1.00 64.11 H new ATOM 0 HB2 ASP A 382 0.986 14.305 9.309 1.00 13.53 H new ATOM 0 HB3 ASP A 382 1.203 14.264 7.571 1.00 13.53 H new ATOM 583 N VAL A 383 -1.930 12.148 8.401 1.00 45.24 N ATOM 584 CA VAL A 383 -2.088 10.716 8.211 1.00 5.23 C ATOM 585 C VAL A 383 -3.565 10.347 8.356 1.00 53.01 C ATOM 586 O VAL A 383 -4.382 11.181 8.743 1.00 52.21 O ATOM 587 CB VAL A 383 -1.184 9.957 9.185 1.00 64.24 C ATOM 588 CG1 VAL A 383 -1.907 9.682 10.504 1.00 12.43 C ATOM 589 CG2 VAL A 383 -0.673 8.657 8.558 1.00 11.44 C ATOM 0 H VAL A 383 -2.684 12.595 8.923 1.00 45.24 H new ATOM 0 HA VAL A 383 -1.778 10.427 7.207 1.00 5.23 H new ATOM 0 HB VAL A 383 -0.321 10.587 9.402 1.00 64.24 H new ATOM 0 HG11 VAL A 383 -1.242 9.142 11.178 1.00 12.43 H new ATOM 0 HG12 VAL A 383 -2.199 10.627 10.963 1.00 12.43 H new ATOM 0 HG13 VAL A 383 -2.796 9.081 10.313 1.00 12.43 H new ATOM 0 HG21 VAL A 383 -0.033 8.136 9.270 1.00 11.44 H new ATOM 0 HG22 VAL A 383 -1.519 8.021 8.298 1.00 11.44 H new ATOM 0 HG23 VAL A 383 -0.102 8.887 7.658 1.00 11.44 H new ATOM 599 N LYS A 384 -3.864 9.096 8.037 1.00 4.13 N ATOM 600 CA LYS A 384 -5.229 8.606 8.127 1.00 43.21 C ATOM 601 C LYS A 384 -5.210 7.088 8.314 1.00 22.15 C ATOM 602 O LYS A 384 -4.380 6.396 7.726 1.00 52.43 O ATOM 603 CB LYS A 384 -6.044 9.066 6.916 1.00 5.24 C ATOM 604 CG LYS A 384 -7.452 8.469 6.944 1.00 22.42 C ATOM 605 CD LYS A 384 -8.340 9.108 5.875 1.00 61.32 C ATOM 606 CE LYS A 384 -9.667 8.358 5.745 1.00 71.15 C ATOM 607 NZ LYS A 384 -10.639 8.846 6.749 1.00 62.13 N ATOM 0 H LYS A 384 -3.184 8.407 7.716 1.00 4.13 H new ATOM 0 HA LYS A 384 -5.729 9.029 8.998 1.00 43.21 H new ATOM 0 HB2 LYS A 384 -6.107 10.154 6.907 1.00 5.24 H new ATOM 0 HB3 LYS A 384 -5.537 8.769 5.998 1.00 5.24 H new ATOM 0 HG2 LYS A 384 -7.398 7.393 6.781 1.00 22.42 H new ATOM 0 HG3 LYS A 384 -7.895 8.620 7.928 1.00 22.42 H new ATOM 0 HD2 LYS A 384 -8.531 10.150 6.131 1.00 61.32 H new ATOM 0 HD3 LYS A 384 -7.821 9.105 4.917 1.00 61.32 H new ATOM 0 HE2 LYS A 384 -10.072 8.494 4.742 1.00 71.15 H new ATOM 0 HE3 LYS A 384 -9.502 7.289 5.880 1.00 71.15 H new ATOM 0 HZ1 LYS A 384 -11.534 8.326 6.647 1.00 62.13 H new ATOM 0 HZ2 LYS A 384 -10.257 8.694 7.704 1.00 62.13 H new ATOM 0 HZ3 LYS A 384 -10.809 9.861 6.602 1.00 62.13 H new ATOM 620 N ILE A 385 -6.134 6.614 9.137 1.00 61.20 N ATOM 621 CA ILE A 385 -6.234 5.190 9.410 1.00 41.04 C ATOM 622 C ILE A 385 -7.442 4.616 8.666 1.00 11.55 C ATOM 623 O ILE A 385 -8.527 5.196 8.697 1.00 45.22 O ATOM 624 CB ILE A 385 -6.261 4.934 10.918 1.00 71.13 C ATOM 625 CG1 ILE A 385 -5.032 5.540 11.599 1.00 15.00 C ATOM 626 CG2 ILE A 385 -6.404 3.440 11.218 1.00 54.43 C ATOM 627 CD1 ILE A 385 -3.768 4.750 11.253 1.00 14.44 C ATOM 0 H ILE A 385 -6.820 7.191 9.624 1.00 61.20 H new ATOM 0 HA ILE A 385 -5.353 4.668 9.038 1.00 41.04 H new ATOM 0 HB ILE A 385 -7.137 5.431 11.333 1.00 71.13 H new ATOM 0 HG12 ILE A 385 -4.913 6.578 11.287 1.00 15.00 H new ATOM 0 HG13 ILE A 385 -5.177 5.547 12.679 1.00 15.00 H new ATOM 0 HG21 ILE A 385 -6.421 3.285 12.297 1.00 54.43 H new ATOM 0 HG22 ILE A 385 -7.332 3.069 10.784 1.00 54.43 H new ATOM 0 HG23 ILE A 385 -5.561 2.900 10.787 1.00 54.43 H new ATOM 0 HD11 ILE A 385 -2.909 5.202 11.750 1.00 14.44 H new ATOM 0 HD12 ILE A 385 -3.880 3.719 11.588 1.00 14.44 H new ATOM 0 HD13 ILE A 385 -3.613 4.766 10.174 1.00 14.44 H new ATOM 639 N GLU A 386 -7.214 3.485 8.017 1.00 72.43 N ATOM 640 CA GLU A 386 -8.271 2.826 7.267 1.00 4.20 C ATOM 641 C GLU A 386 -8.224 1.315 7.500 1.00 34.24 C ATOM 642 O GLU A 386 -7.206 0.781 7.937 1.00 1.55 O ATOM 643 CB GLU A 386 -8.171 3.154 5.776 1.00 41.01 C ATOM 644 CG GLU A 386 -9.093 4.318 5.407 1.00 34.34 C ATOM 645 CD GLU A 386 -9.581 4.195 3.962 1.00 23.33 C ATOM 646 OE1 GLU A 386 -9.434 5.142 3.176 1.00 64.13 O ATOM 647 OE2 GLU A 386 -10.128 3.065 3.666 1.00 72.12 O ATOM 0 H GLU A 386 -6.313 3.007 7.994 1.00 72.43 H new ATOM 0 HA GLU A 386 -9.231 3.199 7.624 1.00 4.20 H new ATOM 0 HB2 GLU A 386 -7.141 3.407 5.524 1.00 41.01 H new ATOM 0 HB3 GLU A 386 -8.436 2.275 5.188 1.00 41.01 H new ATOM 0 HG2 GLU A 386 -9.948 4.338 6.083 1.00 34.34 H new ATOM 0 HG3 GLU A 386 -8.563 5.262 5.536 1.00 34.34 H new ATOM 655 N PRO A 387 -9.370 0.650 7.190 1.00 4.15 N ATOM 656 CA PRO A 387 -10.530 1.358 6.678 1.00 75.11 C ATOM 657 C PRO A 387 -11.239 2.129 7.793 1.00 10.23 C ATOM 658 O PRO A 387 -12.184 2.884 7.567 1.00 12.02 O ATOM 659 CB PRO A 387 -11.403 0.282 6.053 1.00 71.31 C ATOM 660 CG PRO A 387 -10.928 -1.036 6.644 1.00 11.42 C ATOM 661 CD PRO A 387 -9.589 -0.788 7.319 1.00 10.42 C ATOM 0 HA PRO A 387 -10.267 2.118 5.942 1.00 75.11 H new ATOM 0 HB2 PRO A 387 -12.456 0.454 6.278 1.00 71.31 H new ATOM 0 HB3 PRO A 387 -11.305 0.281 4.967 1.00 71.31 H new ATOM 0 HG2 PRO A 387 -11.654 -1.415 7.363 1.00 11.42 H new ATOM 0 HG3 PRO A 387 -10.828 -1.790 5.864 1.00 11.42 H new ATOM 0 HD2 PRO A 387 -9.610 -1.093 8.365 1.00 10.42 H new ATOM 0 HD3 PRO A 387 -8.792 -1.355 6.838 1.00 10.42 H new ATOM 669 N CYS A 388 -10.757 1.921 9.015 1.00 64.15 N ATOM 670 CA CYS A 388 -11.323 2.581 10.184 1.00 53.51 C ATOM 671 C CYS A 388 -11.737 4.013 9.854 1.00 73.41 C ATOM 672 O CYS A 388 -12.928 4.271 9.686 1.00 11.11 O ATOM 673 CB CYS A 388 -10.314 2.583 11.334 1.00 54.52 C ATOM 674 SG CYS A 388 -10.886 3.465 12.823 1.00 72.45 S ATOM 0 H CYS A 388 -9.975 1.299 9.220 1.00 64.15 H new ATOM 0 HA CYS A 388 -12.210 2.026 10.489 1.00 53.51 H new ATOM 0 HB2 CYS A 388 -10.082 1.552 11.602 1.00 54.52 H new ATOM 0 HB3 CYS A 388 -9.386 3.039 10.988 1.00 54.52 H new ATOM 679 N GLY A 389 -10.758 4.901 9.770 1.00 64.42 N ATOM 680 CA GLY A 389 -11.034 6.293 9.462 1.00 53.43 C ATOM 681 C GLY A 389 -10.598 7.206 10.610 1.00 51.02 C ATOM 682 O GLY A 389 -11.240 8.220 10.880 1.00 34.41 O ATOM 0 H GLY A 389 -9.771 4.683 9.910 1.00 64.42 H new ATOM 0 HA2 GLY A 389 -10.512 6.577 8.548 1.00 53.43 H new ATOM 0 HA3 GLY A 389 -12.100 6.423 9.274 1.00 53.43 H new ATOM 686 N HIS A 390 -9.509 6.813 11.254 1.00 11.52 N ATOM 687 CA HIS A 390 -8.980 7.583 12.367 1.00 44.51 C ATOM 688 C HIS A 390 -7.718 8.327 11.922 1.00 33.14 C ATOM 689 O HIS A 390 -6.820 7.733 11.328 1.00 72.21 O ATOM 690 CB HIS A 390 -8.742 6.687 13.584 1.00 64.15 C ATOM 691 CG HIS A 390 -10.006 6.274 14.299 1.00 2.30 C ATOM 692 ND1 HIS A 390 -10.089 5.132 15.076 1.00 4.24 N ATOM 693 CD2 HIS A 390 -11.235 6.863 14.347 1.00 12.14 C ATOM 694 CE1 HIS A 390 -11.317 5.047 15.565 1.00 72.02 C ATOM 695 NE2 HIS A 390 -12.026 6.120 15.111 1.00 14.35 N ATOM 0 H HIS A 390 -8.979 5.972 11.027 1.00 11.52 H new ATOM 0 HA HIS A 390 -9.711 8.330 12.677 1.00 44.51 H new ATOM 0 HB2 HIS A 390 -8.208 5.792 13.264 1.00 64.15 H new ATOM 0 HB3 HIS A 390 -8.094 7.211 14.287 1.00 64.15 H new ATOM 0 HD2 HIS A 390 -11.517 7.778 13.848 1.00 12.14 H new ATOM 0 HE1 HIS A 390 -11.691 4.266 16.210 1.00 72.02 H new ATOM 0 HE2 HIS A 390 -13.004 6.319 15.324 1.00 14.35 H new ATOM 703 N LEU A 391 -7.691 9.616 12.228 1.00 74.22 N ATOM 704 CA LEU A 391 -6.555 10.447 11.867 1.00 32.32 C ATOM 705 C LEU A 391 -5.666 10.648 13.096 1.00 65.43 C ATOM 706 O LEU A 391 -6.129 10.527 14.229 1.00 70.04 O ATOM 707 CB LEU A 391 -7.029 11.755 11.230 1.00 22.24 C ATOM 708 CG LEU A 391 -8.294 11.665 10.375 1.00 34.23 C ATOM 709 CD1 LEU A 391 -8.199 10.512 9.374 1.00 43.10 C ATOM 710 CD2 LEU A 391 -9.543 11.559 11.253 1.00 1.32 C ATOM 0 H LEU A 391 -8.438 10.105 12.722 1.00 74.22 H new ATOM 0 HA LEU A 391 -5.946 9.953 11.110 1.00 32.32 H new ATOM 0 HB2 LEU A 391 -7.202 12.481 12.024 1.00 22.24 H new ATOM 0 HB3 LEU A 391 -6.223 12.147 10.610 1.00 22.24 H new ATOM 0 HG LEU A 391 -8.382 12.586 9.798 1.00 34.23 H new ATOM 0 HD11 LEU A 391 -9.111 10.471 8.779 1.00 43.10 H new ATOM 0 HD12 LEU A 391 -7.344 10.670 8.717 1.00 43.10 H new ATOM 0 HD13 LEU A 391 -8.074 9.572 9.912 1.00 43.10 H new ATOM 0 HD21 LEU A 391 -10.428 11.496 10.620 1.00 1.32 H new ATOM 0 HD22 LEU A 391 -9.477 10.665 11.874 1.00 1.32 H new ATOM 0 HD23 LEU A 391 -9.615 12.440 11.891 1.00 1.32 H new ATOM 722 N MET A 392 -4.404 10.951 12.829 1.00 25.45 N ATOM 723 CA MET A 392 -3.445 11.169 13.899 1.00 3.32 C ATOM 724 C MET A 392 -2.105 11.656 13.343 1.00 23.44 C ATOM 725 O MET A 392 -1.928 11.746 12.130 1.00 60.35 O ATOM 726 CB MET A 392 -3.234 9.865 14.671 1.00 54.10 C ATOM 727 CG MET A 392 -2.589 8.800 13.782 1.00 20.01 C ATOM 728 SD MET A 392 -2.651 7.210 14.592 1.00 44.35 S ATOM 729 CE MET A 392 -4.418 6.991 14.710 1.00 11.01 C ATOM 0 H MET A 392 -4.023 11.051 11.888 1.00 25.45 H new ATOM 0 HA MET A 392 -3.841 11.935 14.565 1.00 3.32 H new ATOM 0 HB2 MET A 392 -2.602 10.051 15.539 1.00 54.10 H new ATOM 0 HB3 MET A 392 -4.191 9.501 15.045 1.00 54.10 H new ATOM 0 HG2 MET A 392 -3.108 8.750 12.825 1.00 20.01 H new ATOM 0 HG3 MET A 392 -1.554 9.069 13.570 1.00 20.01 H new ATOM 0 HE1 MET A 392 -4.642 5.943 14.908 1.00 11.01 H new ATOM 0 HE2 MET A 392 -4.807 7.605 15.522 1.00 11.01 H new ATOM 0 HE3 MET A 392 -4.885 7.292 13.772 1.00 11.01 H new ATOM 739 N CYS A 393 -1.195 11.956 14.259 1.00 40.24 N ATOM 740 CA CYS A 393 0.124 12.431 13.875 1.00 13.02 C ATOM 741 C CYS A 393 1.068 11.229 13.815 1.00 43.02 C ATOM 742 O CYS A 393 1.341 10.598 14.835 1.00 63.35 O ATOM 743 CB CYS A 393 0.635 13.512 14.830 1.00 64.41 C ATOM 744 SG CYS A 393 0.510 13.088 16.606 1.00 41.41 S ATOM 0 H CYS A 393 -1.345 11.879 15.265 1.00 40.24 H new ATOM 0 HA CYS A 393 0.073 12.901 12.893 1.00 13.02 H new ATOM 0 HB2 CYS A 393 1.678 13.722 14.594 1.00 64.41 H new ATOM 0 HB3 CYS A 393 0.076 14.430 14.650 1.00 64.41 H new ATOM 749 N THR A 394 1.541 10.949 12.609 1.00 23.44 N ATOM 750 CA THR A 394 2.450 9.833 12.403 1.00 54.44 C ATOM 751 C THR A 394 3.580 9.868 13.433 1.00 50.31 C ATOM 752 O THR A 394 3.785 8.903 14.168 1.00 51.42 O ATOM 753 CB THR A 394 2.944 9.888 10.956 1.00 41.42 C ATOM 754 OG1 THR A 394 1.760 9.735 10.178 1.00 10.51 O ATOM 755 CG2 THR A 394 3.795 8.673 10.581 1.00 4.53 C ATOM 0 H THR A 394 1.312 11.475 11.765 1.00 23.44 H new ATOM 0 HA THR A 394 1.946 8.879 12.554 1.00 54.44 H new ATOM 0 HB THR A 394 3.524 10.798 10.806 1.00 41.42 H new ATOM 0 HG1 THR A 394 1.989 9.761 9.225 1.00 10.51 H new ATOM 0 HG21 THR A 394 4.120 8.762 9.544 1.00 4.53 H new ATOM 0 HG22 THR A 394 4.668 8.625 11.232 1.00 4.53 H new ATOM 0 HG23 THR A 394 3.204 7.765 10.699 1.00 4.53 H new ATOM 763 N SER A 395 4.284 10.990 13.454 1.00 41.43 N ATOM 764 CA SER A 395 5.389 11.164 14.382 1.00 74.32 C ATOM 765 C SER A 395 4.974 10.702 15.780 1.00 24.44 C ATOM 766 O SER A 395 5.819 10.311 16.584 1.00 21.44 O ATOM 767 CB SER A 395 5.852 12.621 14.420 1.00 2.21 C ATOM 768 OG SER A 395 7.227 12.735 14.777 1.00 63.13 O ATOM 0 H SER A 395 4.111 11.788 12.843 1.00 41.43 H new ATOM 0 HA SER A 395 6.225 10.555 14.038 1.00 74.32 H new ATOM 0 HB2 SER A 395 5.692 13.078 13.443 1.00 2.21 H new ATOM 0 HB3 SER A 395 5.245 13.176 15.135 1.00 2.21 H new ATOM 0 HG SER A 395 7.485 13.680 14.789 1.00 63.13 H new ATOM 774 N CYS A 396 3.674 10.762 16.028 1.00 62.24 N ATOM 775 CA CYS A 396 3.138 10.354 17.315 1.00 15.40 C ATOM 776 C CYS A 396 2.859 8.851 17.265 1.00 33.11 C ATOM 777 O CYS A 396 3.152 8.130 18.217 1.00 23.42 O ATOM 778 CB CYS A 396 1.887 11.155 17.686 1.00 64.24 C ATOM 779 SG CYS A 396 1.859 12.871 17.051 1.00 10.12 S ATOM 0 H CYS A 396 2.976 11.087 15.359 1.00 62.24 H new ATOM 0 HA CYS A 396 3.868 10.561 18.098 1.00 15.40 H new ATOM 0 HB2 CYS A 396 1.010 10.628 17.309 1.00 64.24 H new ATOM 0 HB3 CYS A 396 1.799 11.183 18.772 1.00 64.24 H new ATOM 784 N LEU A 397 2.295 8.423 16.145 1.00 20.21 N ATOM 785 CA LEU A 397 1.973 7.018 15.959 1.00 42.23 C ATOM 786 C LEU A 397 3.183 6.166 16.347 1.00 3.33 C ATOM 787 O LEU A 397 3.073 5.268 17.180 1.00 33.02 O ATOM 788 CB LEU A 397 1.476 6.767 14.534 1.00 64.15 C ATOM 789 CG LEU A 397 1.396 5.302 14.100 1.00 71.22 C ATOM 790 CD1 LEU A 397 2.788 4.740 13.804 1.00 51.43 C ATOM 791 CD2 LEU A 397 0.648 4.463 15.138 1.00 24.13 C ATOM 0 H LEU A 397 2.053 9.024 15.357 1.00 20.21 H new ATOM 0 HA LEU A 397 1.153 6.725 16.615 1.00 42.23 H new ATOM 0 HB2 LEU A 397 0.485 7.210 14.433 1.00 64.15 H new ATOM 0 HB3 LEU A 397 2.133 7.295 13.843 1.00 64.15 H new ATOM 0 HG LEU A 397 0.825 5.252 13.173 1.00 71.22 H new ATOM 0 HD11 LEU A 397 2.702 3.697 13.498 1.00 51.43 H new ATOM 0 HD12 LEU A 397 3.250 5.317 13.003 1.00 51.43 H new ATOM 0 HD13 LEU A 397 3.405 4.805 14.700 1.00 51.43 H new ATOM 0 HD21 LEU A 397 0.605 3.426 14.805 1.00 24.13 H new ATOM 0 HD22 LEU A 397 1.170 4.516 16.093 1.00 24.13 H new ATOM 0 HD23 LEU A 397 -0.365 4.848 15.256 1.00 24.13 H new ATOM 803 N THR A 398 4.311 6.478 15.725 1.00 13.54 N ATOM 804 CA THR A 398 5.540 5.753 15.996 1.00 62.22 C ATOM 805 C THR A 398 5.734 5.575 17.503 1.00 61.01 C ATOM 806 O THR A 398 6.226 4.541 17.951 1.00 25.14 O ATOM 807 CB THR A 398 6.690 6.502 15.319 1.00 10.15 C ATOM 808 OG1 THR A 398 6.299 6.576 13.951 1.00 21.31 O ATOM 809 CG2 THR A 398 7.985 5.688 15.294 1.00 70.32 C ATOM 0 H THR A 398 4.399 7.223 15.034 1.00 13.54 H new ATOM 0 HA THR A 398 5.503 4.744 15.584 1.00 62.22 H new ATOM 0 HB THR A 398 6.864 7.444 15.838 1.00 10.15 H new ATOM 0 HG1 THR A 398 6.988 7.049 13.439 1.00 21.31 H new ATOM 0 HG21 THR A 398 8.768 6.265 14.803 1.00 70.32 H new ATOM 0 HG22 THR A 398 8.290 5.458 16.315 1.00 70.32 H new ATOM 0 HG23 THR A 398 7.821 4.760 14.746 1.00 70.32 H new ATOM 817 N ALA A 399 5.337 6.599 18.243 1.00 13.42 N ATOM 818 CA ALA A 399 5.461 6.569 19.691 1.00 55.44 C ATOM 819 C ALA A 399 4.592 5.440 20.249 1.00 11.41 C ATOM 820 O ALA A 399 4.994 4.746 21.181 1.00 22.13 O ATOM 821 CB ALA A 399 5.080 7.936 20.264 1.00 22.22 C ATOM 0 H ALA A 399 4.929 7.455 17.868 1.00 13.42 H new ATOM 0 HA ALA A 399 6.491 6.368 19.985 1.00 55.44 H new ATOM 0 HB1 ALA A 399 5.173 7.914 21.350 1.00 22.22 H new ATOM 0 HB2 ALA A 399 5.745 8.699 19.858 1.00 22.22 H new ATOM 0 HB3 ALA A 399 4.051 8.170 19.992 1.00 22.22 H new ATOM 827 N TRP A 400 3.417 5.292 19.656 1.00 53.24 N ATOM 828 CA TRP A 400 2.488 4.259 20.082 1.00 12.42 C ATOM 829 C TRP A 400 3.079 2.902 19.694 1.00 12.52 C ATOM 830 O TRP A 400 3.196 2.010 20.532 1.00 31.13 O ATOM 831 CB TRP A 400 1.096 4.496 19.492 1.00 2.13 C ATOM 832 CG TRP A 400 0.325 3.212 19.181 1.00 24.54 C ATOM 833 CD1 TRP A 400 0.142 2.628 17.989 1.00 35.44 C ATOM 834 CD2 TRP A 400 -0.362 2.370 20.131 1.00 12.13 C ATOM 835 NE1 TRP A 400 -0.611 1.476 18.101 1.00 52.32 N ATOM 836 CE2 TRP A 400 -0.927 1.315 19.445 1.00 71.32 C ATOM 837 CE3 TRP A 400 -0.502 2.497 21.525 1.00 60.34 C ATOM 838 CZ2 TRP A 400 -1.670 0.305 20.068 1.00 74.02 C ATOM 839 CZ3 TRP A 400 -1.248 1.479 22.132 1.00 3.43 C ATOM 840 CH2 TRP A 400 -1.823 0.410 21.455 1.00 1.44 C ATOM 0 H TRP A 400 3.087 5.870 18.884 1.00 53.24 H new ATOM 0 HA TRP A 400 2.354 4.283 21.163 1.00 12.42 H new ATOM 0 HB2 TRP A 400 0.514 5.097 20.191 1.00 2.13 H new ATOM 0 HB3 TRP A 400 1.195 5.079 18.576 1.00 2.13 H new ATOM 0 HD1 TRP A 400 0.534 3.010 17.058 1.00 35.44 H new ATOM 0 HE1 TRP A 400 -0.885 0.857 17.338 1.00 52.32 H new ATOM 0 HE3 TRP A 400 -0.069 3.314 22.083 1.00 60.34 H new ATOM 0 HZ2 TRP A 400 -2.102 -0.511 19.508 1.00 74.02 H new ATOM 0 HZ3 TRP A 400 -1.386 1.528 23.202 1.00 3.43 H new ATOM 0 HH2 TRP A 400 -2.385 -0.336 21.997 1.00 1.44 H new ATOM 851 N GLN A 401 3.435 2.790 18.423 1.00 25.12 N ATOM 852 CA GLN A 401 4.011 1.557 17.914 1.00 64.12 C ATOM 853 C GLN A 401 5.338 1.261 18.615 1.00 5.45 C ATOM 854 O GLN A 401 5.839 0.139 18.558 1.00 15.03 O ATOM 855 CB GLN A 401 4.196 1.624 16.397 1.00 64.14 C ATOM 856 CG GLN A 401 2.845 1.613 15.678 1.00 25.14 C ATOM 857 CD GLN A 401 2.664 0.326 14.872 1.00 70.53 C ATOM 858 OE1 GLN A 401 3.573 -0.163 14.220 1.00 14.40 O ATOM 859 NE2 GLN A 401 1.443 -0.195 14.951 1.00 32.35 N ATOM 0 H GLN A 401 3.336 3.532 17.731 1.00 25.12 H new ATOM 0 HA GLN A 401 3.320 0.741 18.128 1.00 64.12 H new ATOM 0 HB2 GLN A 401 4.745 2.528 16.134 1.00 64.14 H new ATOM 0 HB3 GLN A 401 4.797 0.778 16.063 1.00 64.14 H new ATOM 0 HG2 GLN A 401 2.040 1.706 16.407 1.00 25.14 H new ATOM 0 HG3 GLN A 401 2.775 2.475 15.014 1.00 25.14 H new ATOM 0 HE21 GLN A 401 0.728 0.265 15.515 1.00 32.35 H new ATOM 0 HE22 GLN A 401 1.222 -1.054 14.448 1.00 32.35 H new ATOM 868 N GLU A 402 5.871 2.288 19.261 1.00 2.25 N ATOM 869 CA GLU A 402 7.131 2.153 19.973 1.00 34.44 C ATOM 870 C GLU A 402 6.884 1.649 21.397 1.00 0.31 C ATOM 871 O GLU A 402 7.822 1.270 22.096 1.00 2.14 O ATOM 872 CB GLU A 402 7.899 3.475 19.985 1.00 0.50 C ATOM 873 CG GLU A 402 8.683 3.666 18.685 1.00 70.41 C ATOM 874 CD GLU A 402 10.101 3.105 18.813 1.00 40.52 C ATOM 875 OE1 GLU A 402 10.314 1.902 18.603 1.00 55.04 O ATOM 876 OE2 GLU A 402 11.001 3.969 19.142 1.00 13.25 O ATOM 0 H GLU A 402 5.453 3.217 19.306 1.00 2.25 H new ATOM 0 HA GLU A 402 7.745 1.420 19.450 1.00 34.44 H new ATOM 0 HB2 GLU A 402 7.203 4.303 20.119 1.00 0.50 H new ATOM 0 HB3 GLU A 402 8.584 3.494 20.833 1.00 0.50 H new ATOM 0 HG2 GLU A 402 8.164 3.168 17.866 1.00 70.41 H new ATOM 0 HG3 GLU A 402 8.728 4.726 18.436 1.00 70.41 H new ATOM 884 N SER A 403 5.617 1.662 21.784 1.00 51.00 N ATOM 885 CA SER A 403 5.235 1.212 23.112 1.00 62.54 C ATOM 886 C SER A 403 4.429 -0.085 23.013 1.00 54.24 C ATOM 887 O SER A 403 4.363 -0.854 23.970 1.00 31.02 O ATOM 888 CB SER A 403 4.428 2.284 23.846 1.00 23.12 C ATOM 889 OG SER A 403 4.586 2.196 25.260 1.00 71.22 O ATOM 0 H SER A 403 4.842 1.977 21.201 1.00 51.00 H new ATOM 0 HA SER A 403 6.144 1.025 23.684 1.00 62.54 H new ATOM 0 HB2 SER A 403 4.743 3.271 23.507 1.00 23.12 H new ATOM 0 HB3 SER A 403 3.373 2.181 23.592 1.00 23.12 H new ATOM 0 HG SER A 403 4.057 2.898 25.693 1.00 71.22 H new ATOM 895 N ASP A 404 3.835 -0.287 21.846 1.00 51.05 N ATOM 896 CA ASP A 404 3.035 -1.477 21.609 1.00 43.12 C ATOM 897 C ASP A 404 3.038 -1.799 20.113 1.00 12.50 C ATOM 898 O ASP A 404 3.882 -2.557 19.639 1.00 44.42 O ATOM 899 CB ASP A 404 1.584 -1.261 22.044 1.00 44.15 C ATOM 900 CG ASP A 404 0.590 -2.296 21.515 1.00 71.43 C ATOM 901 OD1 ASP A 404 0.957 -3.204 20.754 1.00 40.03 O ATOM 902 OD2 ASP A 404 -0.625 -2.143 21.921 1.00 41.54 O ATOM 0 H ASP A 404 3.892 0.353 21.054 1.00 51.05 H new ATOM 0 HA ASP A 404 3.467 -2.294 22.187 1.00 43.12 H new ATOM 0 HB2 ASP A 404 1.543 -1.263 23.133 1.00 44.15 H new ATOM 0 HB3 ASP A 404 1.265 -0.272 21.715 1.00 44.15 H new ATOM 908 N GLY A 405 2.083 -1.206 19.411 1.00 12.03 N ATOM 909 CA GLY A 405 1.964 -1.420 17.979 1.00 42.10 C ATOM 910 C GLY A 405 0.743 -2.282 17.653 1.00 64.54 C ATOM 911 O GLY A 405 0.762 -3.053 16.694 1.00 33.11 O ATOM 0 H GLY A 405 1.385 -0.577 19.808 1.00 12.03 H new ATOM 0 HA2 GLY A 405 1.882 -0.460 17.470 1.00 42.10 H new ATOM 0 HA3 GLY A 405 2.866 -1.904 17.604 1.00 42.10 H new ATOM 915 N GLN A 406 -0.288 -2.124 18.468 1.00 15.13 N ATOM 916 CA GLN A 406 -1.516 -2.879 18.278 1.00 4.44 C ATOM 917 C GLN A 406 -2.486 -2.099 17.388 1.00 24.40 C ATOM 918 O GLN A 406 -3.422 -1.474 17.883 1.00 72.22 O ATOM 919 CB GLN A 406 -2.161 -3.223 19.622 1.00 20.01 C ATOM 920 CG GLN A 406 -3.625 -3.628 19.439 1.00 12.45 C ATOM 921 CD GLN A 406 -4.035 -4.683 20.469 1.00 0.41 C ATOM 922 OE1 GLN A 406 -4.675 -4.397 21.468 1.00 53.04 O ATOM 923 NE2 GLN A 406 -3.631 -5.914 20.171 1.00 35.54 N ATOM 0 H GLN A 406 -0.299 -1.484 19.262 1.00 15.13 H new ATOM 0 HA GLN A 406 -1.270 -3.817 17.780 1.00 4.44 H new ATOM 0 HB2 GLN A 406 -1.611 -4.036 20.096 1.00 20.01 H new ATOM 0 HB3 GLN A 406 -2.098 -2.364 20.290 1.00 20.01 H new ATOM 0 HG2 GLN A 406 -4.264 -2.750 19.538 1.00 12.45 H new ATOM 0 HG3 GLN A 406 -3.775 -4.019 18.433 1.00 12.45 H new ATOM 0 HE21 GLN A 406 -3.098 -6.083 19.318 1.00 35.54 H new ATOM 0 HE22 GLN A 406 -3.854 -6.689 20.796 1.00 35.54 H new ATOM 932 N GLY A 407 -2.228 -2.162 16.090 1.00 62.21 N ATOM 933 CA GLY A 407 -3.066 -1.470 15.126 1.00 35.30 C ATOM 934 C GLY A 407 -3.397 -0.055 15.603 1.00 2.51 C ATOM 935 O GLY A 407 -2.692 0.501 16.445 1.00 73.14 O ATOM 0 H GLY A 407 -1.450 -2.682 15.683 1.00 62.21 H new ATOM 0 HA2 GLY A 407 -2.557 -1.423 14.163 1.00 35.30 H new ATOM 0 HA3 GLY A 407 -3.988 -2.031 14.972 1.00 35.30 H new ATOM 939 N CYS A 408 -4.468 0.489 15.045 1.00 75.32 N ATOM 940 CA CYS A 408 -4.901 1.829 15.403 1.00 43.04 C ATOM 941 C CYS A 408 -5.121 1.875 16.916 1.00 61.30 C ATOM 942 O CYS A 408 -5.868 1.065 17.463 1.00 65.30 O ATOM 943 CB CYS A 408 -6.155 2.244 14.631 1.00 62.14 C ATOM 944 SG CYS A 408 -6.412 4.051 14.499 1.00 61.15 S ATOM 0 H CYS A 408 -5.049 0.026 14.347 1.00 75.32 H new ATOM 0 HA CYS A 408 -4.130 2.548 15.127 1.00 43.04 H new ATOM 0 HB2 CYS A 408 -6.102 1.824 13.626 1.00 62.14 H new ATOM 0 HB3 CYS A 408 -7.026 1.802 15.115 1.00 62.14 H new ATOM 949 N PRO A 409 -4.440 2.856 17.567 1.00 63.35 N ATOM 950 CA PRO A 409 -4.553 3.018 19.006 1.00 74.30 C ATOM 951 C PRO A 409 -5.894 3.651 19.382 1.00 13.42 C ATOM 952 O PRO A 409 -6.193 3.827 20.563 1.00 65.05 O ATOM 953 CB PRO A 409 -3.361 3.873 19.401 1.00 24.32 C ATOM 954 CG PRO A 409 -2.886 4.543 18.122 1.00 61.31 C ATOM 955 CD PRO A 409 -3.546 3.833 16.951 1.00 14.13 C ATOM 0 HA PRO A 409 -4.537 2.067 19.539 1.00 74.30 H new ATOM 0 HB2 PRO A 409 -3.643 4.614 20.149 1.00 24.32 H new ATOM 0 HB3 PRO A 409 -2.571 3.263 19.839 1.00 24.32 H new ATOM 0 HG2 PRO A 409 -3.149 5.601 18.125 1.00 61.31 H new ATOM 0 HG3 PRO A 409 -1.801 4.485 18.041 1.00 61.31 H new ATOM 0 HD2 PRO A 409 -4.097 4.533 16.323 1.00 14.13 H new ATOM 0 HD3 PRO A 409 -2.806 3.347 16.314 1.00 14.13 H new ATOM 963 N PHE A 410 -6.667 3.977 18.356 1.00 0.35 N ATOM 964 CA PHE A 410 -7.969 4.588 18.565 1.00 71.44 C ATOM 965 C PHE A 410 -9.058 3.522 18.707 1.00 62.14 C ATOM 966 O PHE A 410 -9.979 3.673 19.508 1.00 41.34 O ATOM 967 CB PHE A 410 -8.265 5.441 17.330 1.00 55.11 C ATOM 968 CG PHE A 410 -7.629 6.832 17.367 1.00 25.22 C ATOM 969 CD1 PHE A 410 -6.288 6.961 17.554 1.00 23.32 C ATOM 970 CD2 PHE A 410 -8.403 7.939 17.213 1.00 33.13 C ATOM 971 CE1 PHE A 410 -5.697 8.251 17.589 1.00 45.42 C ATOM 972 CE2 PHE A 410 -7.812 9.229 17.248 1.00 52.51 C ATOM 973 CZ PHE A 410 -6.471 9.359 17.435 1.00 73.51 C ATOM 0 H PHE A 410 -6.417 3.830 17.378 1.00 0.35 H new ATOM 0 HA PHE A 410 -7.959 5.183 19.478 1.00 71.44 H new ATOM 0 HB2 PHE A 410 -7.911 4.914 16.444 1.00 55.11 H new ATOM 0 HB3 PHE A 410 -9.345 5.549 17.226 1.00 55.11 H new ATOM 0 HD1 PHE A 410 -5.673 6.082 17.676 1.00 23.32 H new ATOM 0 HD2 PHE A 410 -9.468 7.837 17.064 1.00 33.13 H new ATOM 0 HE1 PHE A 410 -4.632 8.353 17.738 1.00 45.42 H new ATOM 0 HE2 PHE A 410 -8.428 10.108 17.126 1.00 52.51 H new ATOM 0 HZ PHE A 410 -6.021 10.341 17.461 1.00 73.51 H new ATOM 983 N CYS A 411 -8.916 2.468 17.917 1.00 62.23 N ATOM 984 CA CYS A 411 -9.876 1.377 17.944 1.00 3.24 C ATOM 985 C CYS A 411 -9.130 0.090 18.300 1.00 23.32 C ATOM 986 O CYS A 411 -9.687 -1.002 18.200 1.00 22.44 O ATOM 987 CB CYS A 411 -10.629 1.253 16.618 1.00 23.33 C ATOM 988 SG CYS A 411 -9.628 1.619 15.130 1.00 32.14 S ATOM 0 H CYS A 411 -8.151 2.346 17.254 1.00 62.23 H new ATOM 0 HA CYS A 411 -10.636 1.576 18.700 1.00 3.24 H new ATOM 0 HB2 CYS A 411 -11.023 0.240 16.533 1.00 23.33 H new ATOM 0 HB3 CYS A 411 -11.485 1.928 16.638 1.00 23.33 H new ATOM 993 N ARG A 412 -7.881 0.261 18.708 1.00 62.50 N ATOM 994 CA ARG A 412 -7.053 -0.874 19.079 1.00 22.42 C ATOM 995 C ARG A 412 -7.312 -2.052 18.137 1.00 55.40 C ATOM 996 O ARG A 412 -7.548 -3.172 18.588 1.00 50.44 O ATOM 997 CB ARG A 412 -7.331 -1.311 20.519 1.00 62.42 C ATOM 998 CG ARG A 412 -6.853 -0.253 21.515 1.00 15.30 C ATOM 999 CD ARG A 412 -5.326 -0.228 21.599 1.00 41.34 C ATOM 1000 NE ARG A 412 -4.834 -1.464 22.246 1.00 31.13 N ATOM 1001 CZ ARG A 412 -4.941 -1.720 23.567 1.00 23.35 C ATOM 1002 NH1 ARG A 412 -5.524 -0.826 24.394 1.00 63.20 N ATOM 1003 NH2 ARG A 412 -4.466 -2.858 24.039 1.00 31.21 N ATOM 0 H ARG A 412 -7.422 1.168 18.790 1.00 62.50 H new ATOM 0 HA ARG A 412 -6.011 -0.564 19.000 1.00 22.42 H new ATOM 0 HB2 ARG A 412 -8.399 -1.483 20.651 1.00 62.42 H new ATOM 0 HB3 ARG A 412 -6.828 -2.257 20.719 1.00 62.42 H new ATOM 0 HG2 ARG A 412 -7.220 0.728 21.213 1.00 15.30 H new ATOM 0 HG3 ARG A 412 -7.271 -0.460 22.500 1.00 15.30 H new ATOM 0 HD2 ARG A 412 -4.900 -0.137 20.600 1.00 41.34 H new ATOM 0 HD3 ARG A 412 -4.999 0.644 22.166 1.00 41.34 H new ATOM 0 HE ARG A 412 -4.386 -2.166 21.657 1.00 31.13 H new ATOM 0 HH11 ARG A 412 -5.888 0.051 24.022 1.00 63.20 H new ATOM 0 HH12 ARG A 412 -5.601 -1.028 25.391 1.00 63.20 H new ATOM 0 HH21 ARG A 412 -4.026 -3.528 23.408 1.00 31.21 H new ATOM 0 HH22 ARG A 412 -4.539 -3.067 25.035 1.00 31.21 H new ATOM 1016 N CYS A 413 -7.261 -1.758 16.846 1.00 4.41 N ATOM 1017 CA CYS A 413 -7.487 -2.778 15.837 1.00 53.24 C ATOM 1018 C CYS A 413 -6.464 -2.581 14.716 1.00 11.23 C ATOM 1019 O CYS A 413 -6.046 -1.457 14.444 1.00 43.34 O ATOM 1020 CB CYS A 413 -8.924 -2.744 15.310 1.00 5.53 C ATOM 1021 SG CYS A 413 -9.124 -3.961 13.959 1.00 31.20 S ATOM 0 H CYS A 413 -7.066 -0.828 16.476 1.00 4.41 H new ATOM 0 HA CYS A 413 -7.354 -3.765 16.279 1.00 53.24 H new ATOM 0 HB2 CYS A 413 -9.622 -2.967 16.117 1.00 5.53 H new ATOM 0 HB3 CYS A 413 -9.164 -1.744 14.948 1.00 5.53 H new ATOM 0 HG CYS A 413 -8.289 -3.687 13.001 1.00 31.20 H new ATOM 1027 N GLU A 414 -6.091 -3.691 14.098 1.00 65.15 N ATOM 1028 CA GLU A 414 -5.124 -3.655 13.013 1.00 51.40 C ATOM 1029 C GLU A 414 -5.552 -2.636 11.955 1.00 50.31 C ATOM 1030 O GLU A 414 -6.725 -2.273 11.875 1.00 22.34 O ATOM 1031 CB GLU A 414 -4.940 -5.042 12.395 1.00 35.23 C ATOM 1032 CG GLU A 414 -3.563 -5.174 11.742 1.00 53.42 C ATOM 1033 CD GLU A 414 -2.448 -4.995 12.774 1.00 44.14 C ATOM 1034 OE1 GLU A 414 -1.954 -3.874 12.965 1.00 12.52 O ATOM 1035 OE2 GLU A 414 -2.096 -6.073 13.389 1.00 41.05 O ATOM 0 H GLU A 414 -6.440 -4.621 14.327 1.00 65.15 H new ATOM 0 HA GLU A 414 -4.162 -3.345 13.421 1.00 51.40 H new ATOM 0 HB2 GLU A 414 -5.056 -5.805 13.165 1.00 35.23 H new ATOM 0 HB3 GLU A 414 -5.717 -5.219 11.652 1.00 35.23 H new ATOM 0 HG2 GLU A 414 -3.473 -6.152 11.270 1.00 53.42 H new ATOM 0 HG3 GLU A 414 -3.457 -4.428 10.954 1.00 53.42 H new ATOM 1043 N ILE A 415 -4.578 -2.202 11.168 1.00 22.35 N ATOM 1044 CA ILE A 415 -4.839 -1.232 10.119 1.00 61.34 C ATOM 1045 C ILE A 415 -4.613 -1.889 8.755 1.00 31.45 C ATOM 1046 O ILE A 415 -3.757 -2.762 8.617 1.00 12.10 O ATOM 1047 CB ILE A 415 -4.005 0.032 10.338 1.00 71.34 C ATOM 1048 CG1 ILE A 415 -3.787 0.293 11.829 1.00 11.13 C ATOM 1049 CG2 ILE A 415 -4.636 1.234 9.631 1.00 23.42 C ATOM 1050 CD1 ILE A 415 -2.835 1.471 12.046 1.00 10.01 C ATOM 0 H ILE A 415 -3.606 -2.505 11.236 1.00 22.35 H new ATOM 0 HA ILE A 415 -5.880 -0.909 10.150 1.00 61.34 H new ATOM 0 HB ILE A 415 -3.023 -0.125 9.892 1.00 71.34 H new ATOM 0 HG12 ILE A 415 -4.743 0.500 12.309 1.00 11.13 H new ATOM 0 HG13 ILE A 415 -3.380 -0.600 12.302 1.00 11.13 H new ATOM 0 HG21 ILE A 415 -4.024 2.119 9.802 1.00 23.42 H new ATOM 0 HG22 ILE A 415 -4.696 1.036 8.561 1.00 23.42 H new ATOM 0 HG23 ILE A 415 -5.638 1.404 10.026 1.00 23.42 H new ATOM 0 HD11 ILE A 415 -2.697 1.635 13.115 1.00 10.01 H new ATOM 0 HD12 ILE A 415 -1.872 1.250 11.586 1.00 10.01 H new ATOM 0 HD13 ILE A 415 -3.257 2.368 11.592 1.00 10.01 H new ATOM 1062 N LYS A 416 -5.396 -1.445 7.783 1.00 20.22 N ATOM 1063 CA LYS A 416 -5.292 -1.979 6.436 1.00 73.22 C ATOM 1064 C LYS A 416 -4.813 -0.876 5.490 1.00 30.12 C ATOM 1065 O LYS A 416 -3.940 -1.106 4.655 1.00 41.33 O ATOM 1066 CB LYS A 416 -6.614 -2.622 6.011 1.00 31.11 C ATOM 1067 CG LYS A 416 -7.295 -3.311 7.196 1.00 43.41 C ATOM 1068 CD LYS A 416 -8.595 -3.990 6.762 1.00 14.53 C ATOM 1069 CE LYS A 416 -8.894 -5.211 7.634 1.00 4.34 C ATOM 1070 NZ LYS A 416 -10.079 -5.936 7.124 1.00 45.55 N ATOM 0 H LYS A 416 -6.105 -0.721 7.902 1.00 20.22 H new ATOM 0 HA LYS A 416 -4.550 -2.776 6.399 1.00 73.22 H new ATOM 0 HB2 LYS A 416 -7.276 -1.861 5.598 1.00 31.11 H new ATOM 0 HB3 LYS A 416 -6.431 -3.349 5.219 1.00 31.11 H new ATOM 0 HG2 LYS A 416 -6.621 -4.051 7.628 1.00 43.41 H new ATOM 0 HG3 LYS A 416 -7.506 -2.578 7.975 1.00 43.41 H new ATOM 0 HD2 LYS A 416 -9.420 -3.280 6.829 1.00 14.53 H new ATOM 0 HD3 LYS A 416 -8.520 -4.294 5.718 1.00 14.53 H new ATOM 0 HE2 LYS A 416 -8.031 -5.877 7.646 1.00 4.34 H new ATOM 0 HE3 LYS A 416 -9.068 -4.896 8.663 1.00 4.34 H new ATOM 0 HZ1 LYS A 416 -10.267 -6.762 7.728 1.00 45.55 H new ATOM 0 HZ2 LYS A 416 -10.904 -5.303 7.135 1.00 45.55 H new ATOM 0 HZ3 LYS A 416 -9.899 -6.253 6.150 1.00 45.55 H new ATOM 1083 N GLY A 417 -5.405 0.298 5.654 1.00 72.25 N ATOM 1084 CA GLY A 417 -5.050 1.437 4.825 1.00 43.12 C ATOM 1085 C GLY A 417 -4.337 2.513 5.648 1.00 72.44 C ATOM 1086 O GLY A 417 -4.839 2.938 6.687 1.00 23.42 O ATOM 0 H GLY A 417 -6.128 0.485 6.349 1.00 72.25 H new ATOM 0 HA2 GLY A 417 -4.405 1.111 4.009 1.00 43.12 H new ATOM 0 HA3 GLY A 417 -5.949 1.856 4.372 1.00 43.12 H new ATOM 1090 N THR A 418 -3.179 2.922 5.151 1.00 20.41 N ATOM 1091 CA THR A 418 -2.393 3.939 5.827 1.00 5.33 C ATOM 1092 C THR A 418 -1.468 4.646 4.834 1.00 54.50 C ATOM 1093 O THR A 418 -0.838 4.000 3.998 1.00 14.23 O ATOM 1094 CB THR A 418 -1.645 3.269 6.982 1.00 41.41 C ATOM 1095 OG1 THR A 418 -0.962 2.180 6.368 1.00 43.24 O ATOM 1096 CG2 THR A 418 -2.590 2.600 7.982 1.00 52.14 C ATOM 0 H THR A 418 -2.766 2.567 4.288 1.00 20.41 H new ATOM 0 HA THR A 418 -3.030 4.720 6.242 1.00 5.33 H new ATOM 0 HB THR A 418 -1.036 4.011 7.499 1.00 41.41 H new ATOM 0 HG1 THR A 418 -0.652 2.448 5.478 1.00 43.24 H new ATOM 0 HG21 THR A 418 -2.008 2.140 8.781 1.00 52.14 H new ATOM 0 HG22 THR A 418 -3.260 3.348 8.406 1.00 52.14 H new ATOM 0 HG23 THR A 418 -3.176 1.835 7.473 1.00 52.14 H new ATOM 1104 N GLU A 419 -1.417 5.965 4.958 1.00 22.52 N ATOM 1105 CA GLU A 419 -0.580 6.767 4.082 1.00 72.43 C ATOM 1106 C GLU A 419 -0.550 8.219 4.560 1.00 3.53 C ATOM 1107 O GLU A 419 -1.466 8.670 5.246 1.00 1.21 O ATOM 1108 CB GLU A 419 -1.061 6.677 2.632 1.00 63.10 C ATOM 1109 CG GLU A 419 -2.419 7.360 2.461 1.00 33.44 C ATOM 1110 CD GLU A 419 -2.572 7.932 1.051 1.00 50.03 C ATOM 1111 OE1 GLU A 419 -3.599 7.701 0.396 1.00 54.12 O ATOM 1112 OE2 GLU A 419 -1.576 8.641 0.639 1.00 22.21 O ATOM 0 H GLU A 419 -1.942 6.498 5.652 1.00 22.52 H new ATOM 0 HA GLU A 419 0.435 6.372 4.119 1.00 72.43 H new ATOM 0 HB2 GLU A 419 -0.329 7.144 1.973 1.00 63.10 H new ATOM 0 HB3 GLU A 419 -1.136 5.631 2.334 1.00 63.10 H new ATOM 0 HG2 GLU A 419 -3.217 6.644 2.655 1.00 33.44 H new ATOM 0 HG3 GLU A 419 -2.523 8.159 3.195 1.00 33.44 H new ATOM 1120 N PRO A 420 0.542 8.931 4.170 1.00 72.43 N ATOM 1121 CA PRO A 420 0.704 10.323 4.551 1.00 14.24 C ATOM 1122 C PRO A 420 -0.221 11.227 3.733 1.00 10.04 C ATOM 1123 O PRO A 420 0.067 11.532 2.577 1.00 73.40 O ATOM 1124 CB PRO A 420 2.177 10.623 4.329 1.00 51.41 C ATOM 1125 CG PRO A 420 2.688 9.536 3.397 1.00 12.24 C ATOM 1126 CD PRO A 420 1.647 8.430 3.357 1.00 34.32 C ATOM 0 HA PRO A 420 0.425 10.510 5.588 1.00 14.24 H new ATOM 0 HB2 PRO A 420 2.312 11.611 3.888 1.00 51.41 H new ATOM 0 HB3 PRO A 420 2.723 10.617 5.272 1.00 51.41 H new ATOM 0 HG2 PRO A 420 2.857 9.938 2.398 1.00 12.24 H new ATOM 0 HG3 PRO A 420 3.644 9.148 3.750 1.00 12.24 H new ATOM 0 HD2 PRO A 420 1.326 8.225 2.336 1.00 34.32 H new ATOM 0 HD3 PRO A 420 2.044 7.498 3.759 1.00 34.32 H new ATOM 1134 N ILE A 421 -1.313 11.631 4.366 1.00 22.33 N ATOM 1135 CA ILE A 421 -2.281 12.494 3.712 1.00 73.32 C ATOM 1136 C ILE A 421 -2.125 13.921 4.240 1.00 43.23 C ATOM 1137 O ILE A 421 -1.442 14.146 5.238 1.00 41.43 O ATOM 1138 CB ILE A 421 -3.695 11.931 3.872 1.00 61.44 C ATOM 1139 CG1 ILE A 421 -4.212 12.144 5.296 1.00 74.14 C ATOM 1140 CG2 ILE A 421 -3.749 10.459 3.457 1.00 61.14 C ATOM 1141 CD1 ILE A 421 -4.633 13.599 5.514 1.00 62.20 C ATOM 0 H ILE A 421 -1.548 11.376 5.325 1.00 22.33 H new ATOM 0 HA ILE A 421 -2.096 12.529 2.638 1.00 73.32 H new ATOM 0 HB ILE A 421 -4.359 12.479 3.203 1.00 61.44 H new ATOM 0 HG12 ILE A 421 -5.060 11.485 5.481 1.00 74.14 H new ATOM 0 HG13 ILE A 421 -3.436 11.875 6.013 1.00 74.14 H new ATOM 0 HG21 ILE A 421 -4.765 10.083 3.580 1.00 61.14 H new ATOM 0 HG22 ILE A 421 -3.451 10.364 2.413 1.00 61.14 H new ATOM 0 HG23 ILE A 421 -3.069 9.880 4.082 1.00 61.14 H new ATOM 0 HD11 ILE A 421 -4.997 13.724 6.534 1.00 62.20 H new ATOM 0 HD12 ILE A 421 -3.777 14.254 5.351 1.00 62.20 H new ATOM 0 HD13 ILE A 421 -5.426 13.857 4.812 1.00 62.20 H new ATOM 1153 N ILE A 422 -2.769 14.848 3.546 1.00 5.41 N ATOM 1154 CA ILE A 422 -2.709 16.248 3.932 1.00 33.15 C ATOM 1155 C ILE A 422 -4.098 16.708 4.379 1.00 14.50 C ATOM 1156 O ILE A 422 -5.019 16.793 3.567 1.00 3.54 O ATOM 1157 CB ILE A 422 -2.116 17.091 2.802 1.00 3.22 C ATOM 1158 CG1 ILE A 422 -0.597 16.919 2.729 1.00 72.42 C ATOM 1159 CG2 ILE A 422 -2.520 18.560 2.944 1.00 45.11 C ATOM 1160 CD1 ILE A 422 0.062 17.293 4.058 1.00 41.43 C ATOM 0 H ILE A 422 -3.335 14.657 2.719 1.00 5.41 H new ATOM 0 HA ILE A 422 -2.039 16.381 4.782 1.00 33.15 H new ATOM 0 HB ILE A 422 -2.527 16.734 1.858 1.00 3.22 H new ATOM 0 HG12 ILE A 422 -0.356 15.886 2.478 1.00 72.42 H new ATOM 0 HG13 ILE A 422 -0.195 17.543 1.931 1.00 72.42 H new ATOM 0 HG21 ILE A 422 -2.085 19.137 2.128 1.00 45.11 H new ATOM 0 HG22 ILE A 422 -3.606 18.644 2.909 1.00 45.11 H new ATOM 0 HG23 ILE A 422 -2.157 18.947 3.896 1.00 45.11 H new ATOM 0 HD11 ILE A 422 1.141 17.162 3.979 1.00 41.43 H new ATOM 0 HD12 ILE A 422 -0.161 18.334 4.294 1.00 41.43 H new ATOM 0 HD13 ILE A 422 -0.324 16.651 4.849 1.00 41.43 H new ATOM 1172 N VAL A 423 -4.206 16.994 5.668 1.00 31.44 N ATOM 1173 CA VAL A 423 -5.467 17.443 6.233 1.00 53.34 C ATOM 1174 C VAL A 423 -5.683 18.916 5.879 1.00 50.12 C ATOM 1175 O VAL A 423 -4.757 19.721 5.964 1.00 64.21 O ATOM 1176 CB VAL A 423 -5.489 17.181 7.740 1.00 55.12 C ATOM 1177 CG1 VAL A 423 -6.926 17.106 8.262 1.00 25.41 C ATOM 1178 CG2 VAL A 423 -4.712 15.910 8.087 1.00 72.34 C ATOM 0 H VAL A 423 -3.440 16.923 6.338 1.00 31.44 H new ATOM 0 HA VAL A 423 -6.298 16.880 5.807 1.00 53.34 H new ATOM 0 HB VAL A 423 -4.997 18.019 8.233 1.00 55.12 H new ATOM 0 HG11 VAL A 423 -6.914 16.919 9.336 1.00 25.41 H new ATOM 0 HG12 VAL A 423 -7.435 18.049 8.064 1.00 25.41 H new ATOM 0 HG13 VAL A 423 -7.454 16.296 7.759 1.00 25.41 H new ATOM 0 HG21 VAL A 423 -4.743 15.747 9.164 1.00 72.34 H new ATOM 0 HG22 VAL A 423 -5.162 15.058 7.578 1.00 72.34 H new ATOM 0 HG23 VAL A 423 -3.676 16.018 7.766 1.00 72.34 H new ATOM 1188 N ASP A 424 -6.911 19.224 5.489 1.00 13.33 N ATOM 1189 CA ASP A 424 -7.260 20.586 5.122 1.00 14.23 C ATOM 1190 C ASP A 424 -8.550 20.988 5.840 1.00 55.42 C ATOM 1191 O ASP A 424 -9.529 20.243 5.830 1.00 40.34 O ATOM 1192 CB ASP A 424 -7.500 20.706 3.616 1.00 11.50 C ATOM 1193 CG ASP A 424 -6.240 20.929 2.777 1.00 74.45 C ATOM 1194 OD1 ASP A 424 -6.309 21.414 1.638 1.00 54.33 O ATOM 1195 OD2 ASP A 424 -5.137 20.576 3.345 1.00 74.44 O ATOM 0 H ASP A 424 -7.677 18.554 5.419 1.00 13.33 H new ATOM 0 HA ASP A 424 -6.433 21.235 5.408 1.00 14.23 H new ATOM 0 HB2 ASP A 424 -7.994 19.799 3.268 1.00 11.50 H new ATOM 0 HB3 ASP A 424 -8.188 21.532 3.438 1.00 11.50 H new ATOM 1201 N PRO A 425 -8.509 22.197 6.462 1.00 53.11 N ATOM 1202 CA PRO A 425 -9.663 22.707 7.183 1.00 2.40 C ATOM 1203 C PRO A 425 -10.739 23.203 6.215 1.00 12.33 C ATOM 1204 O PRO A 425 -10.541 23.191 5.001 1.00 20.14 O ATOM 1205 CB PRO A 425 -9.113 23.808 8.075 1.00 15.44 C ATOM 1206 CG PRO A 425 -7.765 24.188 7.486 1.00 2.42 C ATOM 1207 CD PRO A 425 -7.368 23.107 6.495 1.00 23.30 C ATOM 0 HA PRO A 425 -10.160 21.941 7.778 1.00 2.40 H new ATOM 0 HB2 PRO A 425 -9.785 24.666 8.096 1.00 15.44 H new ATOM 0 HB3 PRO A 425 -9.006 23.461 9.103 1.00 15.44 H new ATOM 0 HG2 PRO A 425 -7.825 25.157 6.990 1.00 2.42 H new ATOM 0 HG3 PRO A 425 -7.016 24.278 8.273 1.00 2.42 H new ATOM 0 HD2 PRO A 425 -7.168 23.527 5.509 1.00 23.30 H new ATOM 0 HD3 PRO A 425 -6.461 22.593 6.812 1.00 23.30 H new ATOM 1215 N PHE A 426 -11.855 23.628 6.789 1.00 12.31 N ATOM 1216 CA PHE A 426 -12.963 24.128 5.993 1.00 71.45 C ATOM 1217 C PHE A 426 -13.139 25.636 6.182 1.00 21.41 C ATOM 1218 O PHE A 426 -12.709 26.192 7.191 1.00 44.30 O ATOM 1219 CB PHE A 426 -14.224 23.413 6.483 1.00 12.50 C ATOM 1220 CG PHE A 426 -15.529 24.073 6.030 1.00 64.40 C ATOM 1221 CD1 PHE A 426 -16.096 25.048 6.788 1.00 15.42 C ATOM 1222 CD2 PHE A 426 -16.120 23.683 4.869 1.00 60.30 C ATOM 1223 CE1 PHE A 426 -17.307 25.660 6.368 1.00 50.14 C ATOM 1224 CE2 PHE A 426 -17.330 24.294 4.449 1.00 55.45 C ATOM 1225 CZ PHE A 426 -17.898 25.270 5.207 1.00 54.24 C ATOM 0 H PHE A 426 -12.016 23.636 7.796 1.00 12.31 H new ATOM 0 HA PHE A 426 -12.775 23.942 4.936 1.00 71.45 H new ATOM 0 HB2 PHE A 426 -14.207 22.383 6.127 1.00 12.50 H new ATOM 0 HB3 PHE A 426 -14.207 23.374 7.572 1.00 12.50 H new ATOM 0 HD1 PHE A 426 -15.626 25.358 7.710 1.00 15.42 H new ATOM 0 HD2 PHE A 426 -15.669 22.908 4.267 1.00 60.30 H new ATOM 0 HE1 PHE A 426 -17.758 26.435 6.970 1.00 50.14 H new ATOM 0 HE2 PHE A 426 -17.800 23.984 3.527 1.00 55.45 H new ATOM 0 HZ PHE A 426 -18.819 25.735 4.887 1.00 54.24 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 1.554 15.177 16.772 1.00 43.24 ZN HETATM 1237 ZN ZN A1388 -8.728 3.692 14.483 1.00 32.02 ZN