USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=19 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 Set 1.1: A 366 MET CE :methyl 177:sc= -1.43 (180deg=-1.51) USER MOD Set 1.2: A 374 LYS NZ :NH3+ 145:sc= -9.7! (180deg=-13.1!) USER MOD Set 2.1: A 356 THR OG1 : rot 170:sc= -4.77! USER MOD Set 2.2: A 359 GLN : amide:sc= -5.8! C(o=-11!,f=-13!) USER MOD Single : A 347 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot -72:sc= 0.929 USER MOD Single : A 352 HIS : no HE2:sc= -4.63! C(o=-4.6!,f=-4.4!) USER MOD Single : A 354 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.177) USER MOD Single : A 357 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.1) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 73:sc= 0.563 USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= -7.9! C(o=-7.9!,f=-9.4!) USER MOD Single : A 379 ASN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Single : A 381 LYS NZ :NH3+ 150:sc= -5.82! (180deg=-7.62!) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 HIS : no HD1:sc= -8.97! C(o=-9!,f=-13!) USER MOD Single : A 392 MET CE :methyl 163:sc= -8.25! (180deg=-8.63!) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0 USER MOD Single : A 401 GLN : amide:sc= -2.71! C(o=-2.7!,f=-6!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.5) USER MOD Single : A 413 CYS SG : rot 180:sc= -0.516 USER MOD Single : A 416 LYS NZ :NH3+ -160:sc= -0.192 (180deg=-0.947) USER MOD Single : A 418 THR OG1 : rot 41:sc= 0.215 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 1.655 22.617 -4.548 1.00 34.33 N ATOM 2 CA GLY A 345 2.599 21.578 -4.924 1.00 55.12 C ATOM 3 C GLY A 345 2.588 20.433 -3.909 1.00 40.40 C ATOM 4 O GLY A 345 3.543 20.261 -3.153 1.00 35.13 O ATOM 0 HA2 GLY A 345 2.348 21.194 -5.913 1.00 55.12 H new ATOM 0 HA3 GLY A 345 3.602 22.000 -4.991 1.00 55.12 H new ATOM 8 N PRO A 346 1.469 19.661 -3.926 1.00 31.25 N ATOM 9 CA PRO A 346 1.321 18.538 -3.016 1.00 25.52 C ATOM 10 C PRO A 346 2.186 17.356 -3.459 1.00 71.44 C ATOM 11 O PRO A 346 2.865 17.428 -4.482 1.00 41.03 O ATOM 12 CB PRO A 346 -0.165 18.221 -3.020 1.00 31.34 C ATOM 13 CG PRO A 346 -0.726 18.868 -4.275 1.00 51.13 C ATOM 14 CD PRO A 346 0.318 19.836 -4.807 1.00 65.43 C ATOM 0 HA PRO A 346 1.663 18.767 -2.007 1.00 25.52 H new ATOM 0 HB2 PRO A 346 -0.335 17.144 -3.027 1.00 31.34 H new ATOM 0 HB3 PRO A 346 -0.651 18.615 -2.127 1.00 31.34 H new ATOM 0 HG2 PRO A 346 -0.960 18.110 -5.023 1.00 51.13 H new ATOM 0 HG3 PRO A 346 -1.655 19.393 -4.051 1.00 51.13 H new ATOM 0 HD2 PRO A 346 0.574 19.612 -5.843 1.00 65.43 H new ATOM 0 HD3 PRO A 346 -0.046 20.863 -4.784 1.00 65.43 H new ATOM 22 N HIS A 347 2.132 16.294 -2.668 1.00 2.41 N ATOM 23 CA HIS A 347 2.902 15.098 -2.966 1.00 54.52 C ATOM 24 C HIS A 347 2.006 14.073 -3.665 1.00 3.30 C ATOM 25 O HIS A 347 0.812 14.307 -3.845 1.00 62.12 O ATOM 26 CB HIS A 347 3.560 14.546 -1.700 1.00 55.03 C ATOM 27 CG HIS A 347 4.554 15.488 -1.064 1.00 62.41 C ATOM 28 ND1 HIS A 347 4.211 16.371 -0.056 1.00 1.14 N ATOM 29 CD2 HIS A 347 5.884 15.673 -1.303 1.00 2.22 C ATOM 30 CE1 HIS A 347 5.293 17.053 0.289 1.00 43.32 C ATOM 31 NE2 HIS A 347 6.329 16.620 -0.486 1.00 21.23 N ATOM 0 H HIS A 347 1.567 16.237 -1.821 1.00 2.41 H new ATOM 0 HA HIS A 347 3.715 15.344 -3.649 1.00 54.52 H new ATOM 0 HB2 HIS A 347 2.783 14.309 -0.973 1.00 55.03 H new ATOM 0 HB3 HIS A 347 4.065 13.611 -1.943 1.00 55.03 H new ATOM 0 HD2 HIS A 347 6.475 15.140 -2.033 1.00 2.22 H new ATOM 0 HE1 HIS A 347 5.346 17.817 1.050 1.00 43.32 H new ATOM 0 HE2 HIS A 347 7.287 16.967 -0.445 1.00 21.23 H new ATOM 39 N MET A 348 2.618 12.959 -4.040 1.00 11.24 N ATOM 40 CA MET A 348 1.891 11.897 -4.715 1.00 3.34 C ATOM 41 C MET A 348 2.028 10.574 -3.960 1.00 21.53 C ATOM 42 O MET A 348 3.100 10.255 -3.447 1.00 70.02 O ATOM 43 CB MET A 348 2.432 11.733 -6.136 1.00 73.44 C ATOM 44 CG MET A 348 1.998 12.899 -7.026 1.00 44.42 C ATOM 45 SD MET A 348 2.920 14.367 -6.600 1.00 13.54 S ATOM 46 CE MET A 348 2.155 15.545 -7.702 1.00 34.14 C ATOM 0 H MET A 348 3.609 12.769 -3.889 1.00 11.24 H new ATOM 0 HA MET A 348 0.836 12.167 -4.747 1.00 3.34 H new ATOM 0 HB2 MET A 348 3.520 11.676 -6.110 1.00 73.44 H new ATOM 0 HB3 MET A 348 2.074 10.795 -6.559 1.00 73.44 H new ATOM 0 HG2 MET A 348 2.162 12.648 -8.074 1.00 44.42 H new ATOM 0 HG3 MET A 348 0.930 13.082 -6.905 1.00 44.42 H new ATOM 0 HE1 MET A 348 2.616 16.523 -7.566 1.00 34.14 H new ATOM 0 HE2 MET A 348 2.292 15.220 -8.733 1.00 34.14 H new ATOM 0 HE3 MET A 348 1.090 15.612 -7.481 1.00 34.14 H new ATOM 56 N GLY A 349 0.927 9.838 -3.915 1.00 60.00 N ATOM 57 CA GLY A 349 0.911 8.556 -3.231 1.00 74.13 C ATOM 58 C GLY A 349 0.128 8.644 -1.920 1.00 34.12 C ATOM 59 O GLY A 349 -0.085 7.634 -1.251 1.00 33.12 O ATOM 0 H GLY A 349 0.040 10.105 -4.341 1.00 60.00 H new ATOM 0 HA2 GLY A 349 0.463 7.801 -3.877 1.00 74.13 H new ATOM 0 HA3 GLY A 349 1.933 8.235 -3.028 1.00 74.13 H new ATOM 63 N SER A 350 -0.280 9.861 -1.591 1.00 43.14 N ATOM 64 CA SER A 350 -1.034 10.094 -0.372 1.00 15.12 C ATOM 65 C SER A 350 -2.461 10.529 -0.714 1.00 61.23 C ATOM 66 O SER A 350 -2.679 11.238 -1.695 1.00 41.22 O ATOM 67 CB SER A 350 -0.354 11.148 0.504 1.00 52.20 C ATOM 68 OG SER A 350 0.887 10.685 1.030 1.00 52.33 O ATOM 0 H SER A 350 -0.102 10.697 -2.148 1.00 43.14 H new ATOM 0 HA SER A 350 -1.070 9.161 0.191 1.00 15.12 H new ATOM 0 HB2 SER A 350 -0.185 12.052 -0.081 1.00 52.20 H new ATOM 0 HB3 SER A 350 -1.017 11.420 1.325 1.00 52.20 H new ATOM 0 HG SER A 350 0.718 10.010 1.720 1.00 52.33 H new ATOM 74 N ASP A 351 -3.395 10.085 0.113 1.00 14.05 N ATOM 75 CA ASP A 351 -4.795 10.419 -0.089 1.00 41.33 C ATOM 76 C ASP A 351 -5.060 11.830 0.440 1.00 44.22 C ATOM 77 O ASP A 351 -4.218 12.408 1.126 1.00 63.13 O ATOM 78 CB ASP A 351 -5.707 9.452 0.667 1.00 33.20 C ATOM 79 CG ASP A 351 -5.273 7.985 0.624 1.00 43.52 C ATOM 80 OD1 ASP A 351 -4.227 7.646 0.050 1.00 31.12 O ATOM 81 OD2 ASP A 351 -6.068 7.163 1.220 1.00 54.24 O ATOM 0 H ASP A 351 -3.210 9.496 0.925 1.00 14.05 H new ATOM 0 HA ASP A 351 -5.006 10.354 -1.156 1.00 41.33 H new ATOM 0 HB2 ASP A 351 -5.763 9.768 1.709 1.00 33.20 H new ATOM 0 HB3 ASP A 351 -6.714 9.530 0.256 1.00 33.20 H new ATOM 87 N HIS A 352 -6.233 12.344 0.101 1.00 43.42 N ATOM 88 CA HIS A 352 -6.619 13.677 0.533 1.00 21.22 C ATOM 89 C HIS A 352 -8.044 13.643 1.090 1.00 64.20 C ATOM 90 O HIS A 352 -8.929 13.024 0.502 1.00 32.10 O ATOM 91 CB HIS A 352 -6.450 14.687 -0.604 1.00 34.25 C ATOM 92 CG HIS A 352 -5.044 15.218 -0.750 1.00 33.21 C ATOM 93 ND1 HIS A 352 -4.330 15.750 0.309 1.00 21.23 N ATOM 94 CD2 HIS A 352 -4.229 15.292 -1.841 1.00 3.14 C ATOM 95 CE1 HIS A 352 -3.140 16.125 -0.136 1.00 3.15 C ATOM 96 NE2 HIS A 352 -3.079 15.841 -1.468 1.00 51.13 N ATOM 0 H HIS A 352 -6.929 11.862 -0.468 1.00 43.42 H new ATOM 0 HA HIS A 352 -5.960 14.008 1.336 1.00 21.22 H new ATOM 0 HB2 HIS A 352 -6.749 14.217 -1.541 1.00 34.25 H new ATOM 0 HB3 HIS A 352 -7.128 15.524 -0.436 1.00 34.25 H new ATOM 0 HD1 HIS A 352 -4.663 15.838 1.269 1.00 21.23 H new ATOM 0 HD2 HIS A 352 -4.477 14.960 -2.839 1.00 3.14 H new ATOM 0 HE1 HIS A 352 -2.356 16.577 0.453 1.00 3.15 H new ATOM 104 N ILE A 353 -8.220 14.316 2.217 1.00 31.14 N ATOM 105 CA ILE A 353 -9.522 14.371 2.860 1.00 31.33 C ATOM 106 C ILE A 353 -10.049 15.806 2.813 1.00 13.22 C ATOM 107 O ILE A 353 -9.270 16.756 2.757 1.00 62.03 O ATOM 108 CB ILE A 353 -9.447 13.789 4.274 1.00 44.25 C ATOM 109 CG1 ILE A 353 -9.269 12.270 4.233 1.00 44.14 C ATOM 110 CG2 ILE A 353 -10.665 14.201 5.102 1.00 53.52 C ATOM 111 CD1 ILE A 353 -10.623 11.561 4.167 1.00 22.01 C ATOM 0 H ILE A 353 -7.483 14.828 2.702 1.00 31.14 H new ATOM 0 HA ILE A 353 -10.239 13.750 2.322 1.00 31.33 H new ATOM 0 HB ILE A 353 -8.568 14.203 4.767 1.00 44.25 H new ATOM 0 HG12 ILE A 353 -8.667 11.994 3.367 1.00 44.14 H new ATOM 0 HG13 ILE A 353 -8.724 11.940 5.118 1.00 44.14 H new ATOM 0 HG21 ILE A 353 -10.586 13.774 6.102 1.00 53.52 H new ATOM 0 HG22 ILE A 353 -10.706 15.288 5.174 1.00 53.52 H new ATOM 0 HG23 ILE A 353 -11.572 13.835 4.622 1.00 53.52 H new ATOM 0 HD11 ILE A 353 -10.468 10.482 4.139 1.00 22.01 H new ATOM 0 HD12 ILE A 353 -11.213 11.820 5.046 1.00 22.01 H new ATOM 0 HD13 ILE A 353 -11.155 11.875 3.269 1.00 22.01 H new ATOM 123 N LYS A 354 -11.369 15.919 2.838 1.00 11.03 N ATOM 124 CA LYS A 354 -12.010 17.223 2.799 1.00 23.32 C ATOM 125 C LYS A 354 -12.737 17.469 4.123 1.00 62.33 C ATOM 126 O LYS A 354 -13.409 16.578 4.641 1.00 41.32 O ATOM 127 CB LYS A 354 -12.914 17.339 1.570 1.00 25.12 C ATOM 128 CG LYS A 354 -12.993 18.787 1.083 1.00 42.11 C ATOM 129 CD LYS A 354 -13.869 19.631 2.011 1.00 23.22 C ATOM 130 CE LYS A 354 -14.558 20.758 1.240 1.00 74.33 C ATOM 131 NZ LYS A 354 -13.562 21.564 0.499 1.00 74.21 N ATOM 0 H LYS A 354 -12.012 15.129 2.885 1.00 11.03 H new ATOM 0 HA LYS A 354 -11.264 18.011 2.693 1.00 23.32 H new ATOM 0 HB2 LYS A 354 -12.532 16.703 0.771 1.00 25.12 H new ATOM 0 HB3 LYS A 354 -13.913 16.978 1.814 1.00 25.12 H new ATOM 0 HG2 LYS A 354 -11.991 19.214 1.036 1.00 42.11 H new ATOM 0 HG3 LYS A 354 -13.399 18.813 0.072 1.00 42.11 H new ATOM 0 HD2 LYS A 354 -14.619 18.998 2.484 1.00 23.22 H new ATOM 0 HD3 LYS A 354 -13.258 20.052 2.810 1.00 23.22 H new ATOM 0 HE2 LYS A 354 -15.285 20.339 0.545 1.00 74.33 H new ATOM 0 HE3 LYS A 354 -15.109 21.396 1.931 1.00 74.33 H new ATOM 0 HZ1 LYS A 354 -14.002 22.451 0.179 1.00 74.21 H new ATOM 0 HZ2 LYS A 354 -12.758 21.781 1.122 1.00 74.21 H new ATOM 0 HZ3 LYS A 354 -13.225 21.027 -0.326 1.00 74.21 H new ATOM 144 N VAL A 355 -12.577 18.681 4.632 1.00 15.40 N ATOM 145 CA VAL A 355 -13.210 19.056 5.885 1.00 34.12 C ATOM 146 C VAL A 355 -14.491 19.840 5.591 1.00 43.13 C ATOM 147 O VAL A 355 -14.687 20.318 4.474 1.00 32.14 O ATOM 148 CB VAL A 355 -12.222 19.831 6.759 1.00 33.04 C ATOM 149 CG1 VAL A 355 -12.958 20.673 7.804 1.00 41.24 C ATOM 150 CG2 VAL A 355 -11.220 18.885 7.424 1.00 11.54 C ATOM 0 H VAL A 355 -12.018 19.417 4.200 1.00 15.40 H new ATOM 0 HA VAL A 355 -13.495 18.168 6.449 1.00 34.12 H new ATOM 0 HB VAL A 355 -11.665 20.510 6.114 1.00 33.04 H new ATOM 0 HG11 VAL A 355 -12.233 21.214 8.412 1.00 41.24 H new ATOM 0 HG12 VAL A 355 -13.613 21.385 7.302 1.00 41.24 H new ATOM 0 HG13 VAL A 355 -13.553 20.021 8.443 1.00 41.24 H new ATOM 0 HG21 VAL A 355 -10.529 19.461 8.040 1.00 11.54 H new ATOM 0 HG22 VAL A 355 -11.754 18.170 8.050 1.00 11.54 H new ATOM 0 HG23 VAL A 355 -10.662 18.349 6.657 1.00 11.54 H new ATOM 160 N THR A 356 -15.328 19.948 6.611 1.00 14.24 N ATOM 161 CA THR A 356 -16.584 20.666 6.476 1.00 54.31 C ATOM 162 C THR A 356 -16.700 21.747 7.553 1.00 62.30 C ATOM 163 O THR A 356 -15.802 21.903 8.379 1.00 10.11 O ATOM 164 CB THR A 356 -17.721 19.643 6.518 1.00 61.14 C ATOM 165 OG1 THR A 356 -17.304 18.701 7.502 1.00 64.53 O ATOM 166 CG2 THR A 356 -17.816 18.820 5.231 1.00 41.51 C ATOM 0 H THR A 356 -15.161 19.550 7.535 1.00 14.24 H new ATOM 0 HA THR A 356 -16.637 21.193 5.524 1.00 54.31 H new ATOM 0 HB THR A 356 -18.666 20.158 6.690 1.00 61.14 H new ATOM 0 HG1 THR A 356 -18.046 18.095 7.710 1.00 64.53 H new ATOM 0 HG21 THR A 356 -18.639 18.110 5.313 1.00 41.51 H new ATOM 0 HG22 THR A 356 -17.994 19.485 4.386 1.00 41.51 H new ATOM 0 HG23 THR A 356 -16.883 18.278 5.076 1.00 41.51 H new ATOM 174 N GLN A 357 -17.813 22.464 7.509 1.00 4.41 N ATOM 175 CA GLN A 357 -18.057 23.526 8.471 1.00 71.31 C ATOM 176 C GLN A 357 -18.447 22.934 9.827 1.00 62.31 C ATOM 177 O GLN A 357 -18.055 23.453 10.871 1.00 42.23 O ATOM 178 CB GLN A 357 -19.133 24.488 7.964 1.00 45.44 C ATOM 179 CG GLN A 357 -18.552 25.470 6.944 1.00 54.33 C ATOM 180 CD GLN A 357 -19.411 26.733 6.849 1.00 51.14 C ATOM 181 OE1 GLN A 357 -19.961 27.064 5.811 1.00 15.02 O ATOM 182 NE2 GLN A 357 -19.495 27.418 7.986 1.00 65.51 N ATOM 0 H GLN A 357 -18.556 22.331 6.823 1.00 4.41 H new ATOM 0 HA GLN A 357 -17.136 24.095 8.596 1.00 71.31 H new ATOM 0 HB2 GLN A 357 -19.946 23.923 7.508 1.00 45.44 H new ATOM 0 HB3 GLN A 357 -19.559 25.038 8.803 1.00 45.44 H new ATOM 0 HG2 GLN A 357 -17.535 25.738 7.230 1.00 54.33 H new ATOM 0 HG3 GLN A 357 -18.492 24.992 5.966 1.00 54.33 H new ATOM 0 HE21 GLN A 357 -19.010 27.085 8.819 1.00 65.51 H new ATOM 0 HE22 GLN A 357 -20.045 28.276 8.025 1.00 65.51 H new ATOM 191 N GLU A 358 -19.214 21.855 9.767 1.00 25.14 N ATOM 192 CA GLU A 358 -19.661 21.187 10.978 1.00 65.31 C ATOM 193 C GLU A 358 -18.459 20.688 11.784 1.00 51.53 C ATOM 194 O GLU A 358 -18.512 20.628 13.011 1.00 13.31 O ATOM 195 CB GLU A 358 -20.615 20.037 10.649 1.00 1.10 C ATOM 196 CG GLU A 358 -19.925 18.983 9.781 1.00 20.21 C ATOM 197 CD GLU A 358 -20.934 18.269 8.879 1.00 50.40 C ATOM 198 OE1 GLU A 358 -21.625 18.923 8.083 1.00 3.12 O ATOM 199 OE2 GLU A 358 -20.986 16.989 9.025 1.00 30.21 O ATOM 0 H GLU A 358 -19.537 21.427 8.899 1.00 25.14 H new ATOM 0 HA GLU A 358 -20.208 21.907 11.586 1.00 65.31 H new ATOM 0 HB2 GLU A 358 -20.969 19.578 11.572 1.00 1.10 H new ATOM 0 HB3 GLU A 358 -21.491 20.424 10.129 1.00 1.10 H new ATOM 0 HG2 GLU A 358 -19.157 19.456 9.170 1.00 20.21 H new ATOM 0 HG3 GLU A 358 -19.422 18.255 10.418 1.00 20.21 H new ATOM 207 N GLN A 359 -17.404 20.344 11.061 1.00 62.05 N ATOM 208 CA GLN A 359 -16.191 19.853 11.693 1.00 72.12 C ATOM 209 C GLN A 359 -15.436 21.005 12.359 1.00 61.22 C ATOM 210 O GLN A 359 -15.327 21.055 13.583 1.00 60.20 O ATOM 211 CB GLN A 359 -15.302 19.126 10.682 1.00 21.45 C ATOM 212 CG GLN A 359 -16.072 18.006 9.980 1.00 54.13 C ATOM 213 CD GLN A 359 -15.305 17.495 8.759 1.00 24.41 C ATOM 214 OE1 GLN A 359 -14.168 17.861 8.510 1.00 22.03 O ATOM 215 NE2 GLN A 359 -15.987 16.630 8.014 1.00 30.42 N ATOM 0 H GLN A 359 -17.364 20.395 10.043 1.00 62.05 H new ATOM 0 HA GLN A 359 -16.471 19.135 12.464 1.00 72.12 H new ATOM 0 HB2 GLN A 359 -14.931 19.836 9.943 1.00 21.45 H new ATOM 0 HB3 GLN A 359 -14.432 18.711 11.190 1.00 21.45 H new ATOM 0 HG2 GLN A 359 -16.242 17.185 10.677 1.00 54.13 H new ATOM 0 HG3 GLN A 359 -17.052 18.371 9.672 1.00 54.13 H new ATOM 0 HE21 GLN A 359 -16.936 16.366 8.279 1.00 30.42 H new ATOM 0 HE22 GLN A 359 -15.561 16.231 7.178 1.00 30.42 H new ATOM 224 N TYR A 360 -14.934 21.902 11.523 1.00 3.25 N ATOM 225 CA TYR A 360 -14.192 23.050 12.016 1.00 3.40 C ATOM 226 C TYR A 360 -14.931 23.726 13.172 1.00 14.33 C ATOM 227 O TYR A 360 -14.306 24.232 14.103 1.00 20.20 O ATOM 228 CB TYR A 360 -14.101 24.029 10.843 1.00 31.51 C ATOM 229 CG TYR A 360 -13.187 25.228 11.102 1.00 23.51 C ATOM 230 CD1 TYR A 360 -11.963 25.043 11.713 1.00 63.15 C ATOM 231 CD2 TYR A 360 -13.586 26.494 10.725 1.00 22.25 C ATOM 232 CE1 TYR A 360 -11.102 26.171 11.956 1.00 11.43 C ATOM 233 CE2 TYR A 360 -12.725 27.622 10.969 1.00 12.32 C ATOM 234 CZ TYR A 360 -11.526 27.405 11.573 1.00 42.44 C ATOM 235 OH TYR A 360 -10.713 28.471 11.803 1.00 50.22 O ATOM 0 H TYR A 360 -15.026 21.857 10.508 1.00 3.25 H new ATOM 0 HA TYR A 360 -13.212 22.744 12.383 1.00 3.40 H new ATOM 0 HB2 TYR A 360 -13.741 23.494 9.964 1.00 31.51 H new ATOM 0 HB3 TYR A 360 -15.101 24.392 10.608 1.00 31.51 H new ATOM 0 HD1 TYR A 360 -11.651 24.052 12.009 1.00 63.15 H new ATOM 0 HD2 TYR A 360 -14.544 26.639 10.247 1.00 22.25 H new ATOM 0 HE1 TYR A 360 -10.141 26.040 12.432 1.00 11.43 H new ATOM 0 HE2 TYR A 360 -13.025 28.618 10.679 1.00 12.32 H new ATOM 0 HH TYR A 360 -11.145 29.288 11.476 1.00 50.22 H new ATOM 245 N GLU A 361 -16.253 23.713 13.076 1.00 43.45 N ATOM 246 CA GLU A 361 -17.084 24.319 14.102 1.00 73.22 C ATOM 247 C GLU A 361 -17.091 23.449 15.361 1.00 53.23 C ATOM 248 O GLU A 361 -16.730 23.913 16.441 1.00 35.45 O ATOM 249 CB GLU A 361 -18.507 24.552 13.588 1.00 24.44 C ATOM 250 CG GLU A 361 -18.589 25.840 12.767 1.00 31.20 C ATOM 251 CD GLU A 361 -20.037 26.316 12.638 1.00 13.35 C ATOM 252 OE1 GLU A 361 -20.970 25.516 12.804 1.00 12.44 O ATOM 253 OE2 GLU A 361 -20.177 27.567 12.356 1.00 3.45 O ATOM 0 H GLU A 361 -16.769 23.292 12.303 1.00 43.45 H new ATOM 0 HA GLU A 361 -16.662 25.291 14.358 1.00 73.22 H new ATOM 0 HB2 GLU A 361 -18.820 23.706 12.976 1.00 24.44 H new ATOM 0 HB3 GLU A 361 -19.197 24.609 14.430 1.00 24.44 H new ATOM 0 HG2 GLU A 361 -17.988 26.616 13.241 1.00 31.20 H new ATOM 0 HG3 GLU A 361 -18.168 25.671 11.776 1.00 31.20 H new ATOM 261 N LEU A 362 -17.506 22.204 15.179 1.00 42.12 N ATOM 262 CA LEU A 362 -17.565 21.266 16.287 1.00 65.55 C ATOM 263 C LEU A 362 -16.220 21.261 17.017 1.00 13.14 C ATOM 264 O LEU A 362 -16.138 21.065 18.230 1.00 23.42 O ATOM 265 CB LEU A 362 -18.002 19.884 15.796 1.00 52.13 C ATOM 266 CG LEU A 362 -18.372 18.872 16.882 1.00 4.13 C ATOM 267 CD1 LEU A 362 -19.180 17.712 16.299 1.00 72.12 C ATOM 268 CD2 LEU A 362 -17.125 18.386 17.625 1.00 35.11 C ATOM 0 H LEU A 362 -17.805 21.823 14.281 1.00 42.12 H new ATOM 0 HA LEU A 362 -18.320 21.577 17.009 1.00 65.55 H new ATOM 0 HB2 LEU A 362 -18.861 20.010 15.137 1.00 52.13 H new ATOM 0 HB3 LEU A 362 -17.197 19.463 15.194 1.00 52.13 H new ATOM 0 HG LEU A 362 -19.009 19.372 17.612 1.00 4.13 H new ATOM 0 HD11 LEU A 362 -19.430 17.008 17.092 1.00 72.12 H new ATOM 0 HD12 LEU A 362 -20.097 18.096 15.853 1.00 72.12 H new ATOM 0 HD13 LEU A 362 -18.590 17.205 15.536 1.00 72.12 H new ATOM 0 HD21 LEU A 362 -17.415 17.668 18.392 1.00 35.11 H new ATOM 0 HD22 LEU A 362 -16.444 17.909 16.920 1.00 35.11 H new ATOM 0 HD23 LEU A 362 -16.627 19.235 18.093 1.00 35.11 H new HETATM 280 N PTR A 363 -15.161 21.484 16.246 1.00 20.12 N HETATM 281 CA PTR A 363 -13.810 21.510 16.793 1.00 21.34 C HETATM 282 C PTR A 363 -13.468 22.895 17.332 1.00 61.13 C HETATM 283 O PTR A 363 -12.568 23.013 18.161 1.00 4.24 O HETATM 284 CB PTR A 363 -12.796 21.102 15.722 1.00 32.43 C HETATM 285 CG PTR A 363 -12.795 19.620 15.422 1.00 72.40 C HETATM 286 CD1 PTR A 363 -13.975 18.953 15.114 1.00 43.44 C HETATM 287 CD2 PTR A 363 -11.615 18.888 15.446 1.00 23.23 C HETATM 288 CE1 PTR A 363 -13.977 17.599 14.839 1.00 53.50 C HETATM 289 CE2 PTR A 363 -11.609 17.534 15.172 1.00 35.20 C HETATM 290 CZ PTR A 363 -12.793 16.895 14.869 1.00 31.42 C HETATM 291 OH PTR A 363 -12.791 15.483 14.583 1.00 33.13 O HETATM 292 P PTR A 363 -11.613 14.525 15.174 1.00 14.34 P HETATM 293 O1P PTR A 363 -12.260 13.169 15.406 1.00 65.14 O HETATM 294 O2P PTR A 363 -11.149 15.187 16.462 1.00 20.32 O HETATM 295 O3P PTR A 363 -10.532 14.489 14.106 1.00 13.44 O HETATM 0 HE2 PTR A 363 -10.674 16.974 15.195 1.00 35.20 H new HETATM 0 HE1 PTR A 363 -14.911 17.090 14.599 1.00 53.50 H new HETATM 0 HD2 PTR A 363 -10.678 19.390 15.685 1.00 23.23 H new HETATM 0 HD1 PTR A 363 -14.913 19.507 15.089 1.00 43.44 H new HETATM 0 HB3 PTR A 363 -13.009 21.650 14.804 1.00 32.43 H new HETATM 0 HB2 PTR A 363 -11.799 21.399 16.046 1.00 32.43 H new HETATM 0 HA PTR A 363 -13.764 20.798 17.617 1.00 21.34 H new ATOM 304 N CYS A 364 -14.185 23.901 16.854 1.00 41.32 N ATOM 305 CA CYS A 364 -13.947 25.265 17.294 1.00 0.44 C ATOM 306 C CYS A 364 -14.334 25.367 18.771 1.00 5.52 C ATOM 307 O CYS A 364 -13.836 26.234 19.488 1.00 0.32 O ATOM 308 CB CYS A 364 -14.706 26.278 16.434 1.00 1.14 C ATOM 309 SG CYS A 364 -13.667 26.802 15.022 1.00 54.03 S ATOM 0 H CYS A 364 -14.931 23.799 16.166 1.00 41.32 H new ATOM 0 HA CYS A 364 -12.891 25.508 17.178 1.00 0.44 H new ATOM 0 HB2 CYS A 364 -15.633 25.836 16.070 1.00 1.14 H new ATOM 0 HB3 CYS A 364 -14.981 27.145 17.035 1.00 1.14 H new ATOM 0 HG CYS A 364 -13.586 25.833 14.160 1.00 54.03 H new ATOM 315 N GLU A 365 -15.217 24.470 19.182 1.00 13.00 N ATOM 316 CA GLU A 365 -15.676 24.448 20.561 1.00 53.25 C ATOM 317 C GLU A 365 -14.599 23.853 21.469 1.00 2.34 C ATOM 318 O GLU A 365 -14.763 23.813 22.688 1.00 64.52 O ATOM 319 CB GLU A 365 -16.990 23.675 20.689 1.00 70.32 C ATOM 320 CG GLU A 365 -18.124 24.395 19.956 1.00 31.23 C ATOM 321 CD GLU A 365 -19.489 23.950 20.486 1.00 23.33 C ATOM 322 OE1 GLU A 365 -19.677 23.849 21.708 1.00 44.32 O ATOM 323 OE2 GLU A 365 -20.373 23.705 19.579 1.00 4.41 O ATOM 0 H GLU A 365 -15.627 23.752 18.585 1.00 13.00 H new ATOM 0 HA GLU A 365 -15.864 25.474 20.878 1.00 53.25 H new ATOM 0 HB2 GLU A 365 -16.867 22.672 20.280 1.00 70.32 H new ATOM 0 HB3 GLU A 365 -17.248 23.561 21.742 1.00 70.32 H new ATOM 0 HG2 GLU A 365 -18.015 25.472 20.080 1.00 31.23 H new ATOM 0 HG3 GLU A 365 -18.060 24.189 18.888 1.00 31.23 H new ATOM 331 N MET A 366 -13.521 23.407 20.842 1.00 62.22 N ATOM 332 CA MET A 366 -12.417 22.816 21.579 1.00 64.02 C ATOM 333 C MET A 366 -11.180 23.715 21.527 1.00 4.03 C ATOM 334 O MET A 366 -10.412 23.776 22.486 1.00 0.15 O ATOM 335 CB MET A 366 -12.079 21.448 20.983 1.00 62.03 C ATOM 336 CG MET A 366 -13.345 20.618 20.763 1.00 72.10 C ATOM 337 SD MET A 366 -12.924 18.889 20.617 1.00 55.41 S ATOM 338 CE MET A 366 -12.787 18.753 18.842 1.00 35.44 C ATOM 0 H MET A 366 -13.388 23.443 19.831 1.00 62.22 H new ATOM 0 HA MET A 366 -12.719 22.704 22.620 1.00 64.02 H new ATOM 0 HB2 MET A 366 -11.557 21.579 20.035 1.00 62.03 H new ATOM 0 HB3 MET A 366 -11.401 20.914 21.649 1.00 62.03 H new ATOM 0 HG2 MET A 366 -14.034 20.764 21.595 1.00 72.10 H new ATOM 0 HG3 MET A 366 -13.858 20.953 19.861 1.00 72.10 H new ATOM 0 HE1 MET A 366 -12.475 17.743 18.578 1.00 35.44 H new ATOM 0 HE2 MET A 366 -13.754 18.966 18.385 1.00 35.44 H new ATOM 0 HE3 MET A 366 -12.049 19.468 18.478 1.00 35.44 H new ATOM 348 N GLY A 367 -11.025 24.390 20.398 1.00 1.41 N ATOM 349 CA GLY A 367 -9.894 25.283 20.209 1.00 53.30 C ATOM 350 C GLY A 367 -8.795 24.610 19.385 1.00 73.43 C ATOM 351 O GLY A 367 -7.667 25.096 19.333 1.00 41.45 O ATOM 0 H GLY A 367 -11.664 24.337 19.604 1.00 1.41 H new ATOM 0 HA2 GLY A 367 -10.224 26.192 19.707 1.00 53.30 H new ATOM 0 HA3 GLY A 367 -9.495 25.581 21.179 1.00 53.30 H new ATOM 355 N SER A 368 -9.164 23.500 18.761 1.00 4.21 N ATOM 356 CA SER A 368 -8.223 22.755 17.942 1.00 72.31 C ATOM 357 C SER A 368 -8.742 22.658 16.506 1.00 75.31 C ATOM 358 O SER A 368 -9.783 23.226 16.178 1.00 2.45 O ATOM 359 CB SER A 368 -7.982 21.357 18.515 1.00 64.35 C ATOM 360 OG SER A 368 -7.417 21.406 19.822 1.00 32.41 O ATOM 0 H SER A 368 -10.101 23.099 18.806 1.00 4.21 H new ATOM 0 HA SER A 368 -7.272 23.288 17.942 1.00 72.31 H new ATOM 0 HB2 SER A 368 -8.925 20.811 18.548 1.00 64.35 H new ATOM 0 HB3 SER A 368 -7.316 20.804 17.853 1.00 64.35 H new ATOM 0 HG SER A 368 -7.280 20.494 20.154 1.00 32.41 H new ATOM 366 N THR A 369 -7.994 21.933 15.688 1.00 62.04 N ATOM 367 CA THR A 369 -8.365 21.754 14.294 1.00 15.13 C ATOM 368 C THR A 369 -8.670 20.282 14.008 1.00 5.23 C ATOM 369 O THR A 369 -8.272 19.403 14.771 1.00 30.10 O ATOM 370 CB THR A 369 -7.239 22.321 13.428 1.00 12.40 C ATOM 371 OG1 THR A 369 -6.798 23.472 14.143 1.00 45.32 O ATOM 372 CG2 THR A 369 -7.749 22.881 12.098 1.00 4.44 C ATOM 0 H THR A 369 -7.132 21.462 15.964 1.00 62.04 H new ATOM 0 HA THR A 369 -9.281 22.295 14.056 1.00 15.13 H new ATOM 0 HB THR A 369 -6.502 21.542 13.235 1.00 12.40 H new ATOM 0 HG1 THR A 369 -6.066 23.901 13.653 1.00 45.32 H new ATOM 0 HG21 THR A 369 -6.910 23.271 11.522 1.00 4.44 H new ATOM 0 HG22 THR A 369 -8.240 22.088 11.534 1.00 4.44 H new ATOM 0 HG23 THR A 369 -8.461 23.684 12.290 1.00 4.44 H new ATOM 380 N PHE A 370 -9.372 20.059 12.907 1.00 2.41 N ATOM 381 CA PHE A 370 -9.734 18.709 12.511 1.00 42.12 C ATOM 382 C PHE A 370 -8.489 17.882 12.182 1.00 33.10 C ATOM 383 O PHE A 370 -8.149 16.950 12.910 1.00 43.44 O ATOM 384 CB PHE A 370 -10.599 18.828 11.255 1.00 42.55 C ATOM 385 CG PHE A 370 -11.006 17.483 10.649 1.00 1.52 C ATOM 386 CD1 PHE A 370 -12.059 16.796 11.167 1.00 61.24 C ATOM 387 CD2 PHE A 370 -10.315 16.976 9.594 1.00 64.32 C ATOM 388 CE1 PHE A 370 -12.437 15.548 10.605 1.00 62.43 C ATOM 389 CE2 PHE A 370 -10.692 15.728 9.032 1.00 74.50 C ATOM 390 CZ PHE A 370 -11.746 15.040 9.549 1.00 25.22 C ATOM 0 H PHE A 370 -9.700 20.791 12.277 1.00 2.41 H new ATOM 0 HA PHE A 370 -10.263 18.212 13.324 1.00 42.12 H new ATOM 0 HB2 PHE A 370 -11.499 19.392 11.499 1.00 42.55 H new ATOM 0 HB3 PHE A 370 -10.055 19.403 10.505 1.00 42.55 H new ATOM 0 HD1 PHE A 370 -12.607 17.199 12.005 1.00 61.24 H new ATOM 0 HD2 PHE A 370 -9.479 17.523 9.183 1.00 64.32 H new ATOM 0 HE1 PHE A 370 -13.273 15.002 11.016 1.00 62.43 H new ATOM 0 HE2 PHE A 370 -10.142 15.325 8.194 1.00 74.50 H new ATOM 0 HZ PHE A 370 -12.034 14.091 9.121 1.00 25.22 H new ATOM 400 N GLN A 371 -7.844 18.252 11.085 1.00 15.15 N ATOM 401 CA GLN A 371 -6.645 17.556 10.651 1.00 31.05 C ATOM 402 C GLN A 371 -5.693 17.353 11.832 1.00 42.04 C ATOM 403 O GLN A 371 -4.992 16.344 11.902 1.00 13.42 O ATOM 404 CB GLN A 371 -5.955 18.310 9.513 1.00 1.33 C ATOM 405 CG GLN A 371 -5.819 19.798 9.845 1.00 60.25 C ATOM 406 CD GLN A 371 -6.915 20.615 9.158 1.00 71.24 C ATOM 407 OE1 GLN A 371 -6.900 20.838 7.958 1.00 22.41 O ATOM 408 NE2 GLN A 371 -7.865 21.047 9.982 1.00 3.43 N ATOM 0 H GLN A 371 -8.130 19.025 10.484 1.00 15.15 H new ATOM 0 HA GLN A 371 -6.934 16.577 10.270 1.00 31.05 H new ATOM 0 HB2 GLN A 371 -4.969 17.882 9.334 1.00 1.33 H new ATOM 0 HB3 GLN A 371 -6.527 18.190 8.593 1.00 1.33 H new ATOM 0 HG2 GLN A 371 -5.877 19.940 10.924 1.00 60.25 H new ATOM 0 HG3 GLN A 371 -4.840 20.157 9.528 1.00 60.25 H new ATOM 0 HE21 GLN A 371 -7.817 20.825 10.976 1.00 3.43 H new ATOM 0 HE22 GLN A 371 -8.641 21.601 9.620 1.00 3.43 H new ATOM 417 N LEU A 372 -5.697 18.328 12.729 1.00 75.30 N ATOM 418 CA LEU A 372 -4.843 18.269 13.902 1.00 24.35 C ATOM 419 C LEU A 372 -5.203 17.033 14.729 1.00 33.12 C ATOM 420 O LEU A 372 -6.367 16.663 14.877 1.00 35.42 O ATOM 421 CB LEU A 372 -4.921 19.579 14.689 1.00 61.12 C ATOM 422 CG LEU A 372 -3.791 19.829 15.690 1.00 33.31 C ATOM 423 CD1 LEU A 372 -4.031 19.059 16.990 1.00 22.32 C ATOM 424 CD2 LEU A 372 -2.430 19.502 15.073 1.00 3.43 C ATOM 0 H LEU A 372 -6.279 19.164 12.667 1.00 75.30 H new ATOM 0 HA LEU A 372 -3.799 18.163 13.607 1.00 24.35 H new ATOM 0 HB2 LEU A 372 -4.940 20.406 13.979 1.00 61.12 H new ATOM 0 HB3 LEU A 372 -5.868 19.600 15.228 1.00 61.12 H new ATOM 0 HG LEU A 372 -3.784 20.890 15.940 1.00 33.31 H new ATOM 0 HD11 LEU A 372 -3.214 19.254 17.684 1.00 22.32 H new ATOM 0 HD12 LEU A 372 -4.971 19.383 17.436 1.00 22.32 H new ATOM 0 HD13 LEU A 372 -4.079 17.991 16.777 1.00 22.32 H new ATOM 0 HD21 LEU A 372 -1.644 19.688 15.805 1.00 3.43 H new ATOM 0 HD22 LEU A 372 -2.408 18.454 14.776 1.00 3.43 H new ATOM 0 HD23 LEU A 372 -2.267 20.131 14.198 1.00 3.43 H new ATOM 436 N CYS A 373 -4.168 16.397 15.270 1.00 74.12 N ATOM 437 CA CYS A 373 -4.346 15.201 16.085 1.00 40.42 C ATOM 438 C CYS A 373 -4.951 15.552 17.441 1.00 22.23 C ATOM 439 O CYS A 373 -4.873 16.708 17.854 1.00 32.23 O ATOM 440 CB CYS A 373 -3.007 14.488 16.280 1.00 2.34 C ATOM 441 SG CYS A 373 -1.815 15.413 17.302 1.00 21.13 S ATOM 0 H CYS A 373 -3.198 16.690 15.158 1.00 74.12 H new ATOM 0 HA CYS A 373 -5.032 14.534 15.563 1.00 40.42 H new ATOM 0 HB2 CYS A 373 -3.188 13.517 16.741 1.00 2.34 H new ATOM 0 HB3 CYS A 373 -2.562 14.299 15.303 1.00 2.34 H new ATOM 446 N LYS A 374 -5.534 14.558 18.096 1.00 4.52 N ATOM 447 CA LYS A 374 -6.144 14.776 19.397 1.00 71.12 C ATOM 448 C LYS A 374 -5.412 13.937 20.446 1.00 64.02 C ATOM 449 O LYS A 374 -6.001 13.537 21.449 1.00 54.44 O ATOM 450 CB LYS A 374 -7.649 14.506 19.334 1.00 23.33 C ATOM 451 CG LYS A 374 -8.287 15.229 18.146 1.00 22.24 C ATOM 452 CD LYS A 374 -8.082 16.741 18.251 1.00 52.41 C ATOM 453 CE LYS A 374 -8.730 17.465 17.069 1.00 14.32 C ATOM 454 NZ LYS A 374 -10.143 17.790 17.371 1.00 25.45 N ATOM 0 H LYS A 374 -5.597 13.600 17.750 1.00 4.52 H new ATOM 0 HA LYS A 374 -6.042 15.819 19.696 1.00 71.12 H new ATOM 0 HB2 LYS A 374 -7.826 13.434 19.250 1.00 23.33 H new ATOM 0 HB3 LYS A 374 -8.120 14.835 20.260 1.00 23.33 H new ATOM 0 HG2 LYS A 374 -7.851 14.863 17.216 1.00 22.24 H new ATOM 0 HG3 LYS A 374 -9.353 15.005 18.109 1.00 22.24 H new ATOM 0 HD2 LYS A 374 -8.510 17.106 19.185 1.00 52.41 H new ATOM 0 HD3 LYS A 374 -7.016 16.966 18.280 1.00 52.41 H new ATOM 0 HE2 LYS A 374 -8.179 18.380 16.849 1.00 14.32 H new ATOM 0 HE3 LYS A 374 -8.677 16.839 16.178 1.00 14.32 H new ATOM 0 HZ1 LYS A 374 -10.391 18.700 16.933 1.00 25.45 H new ATOM 0 HZ2 LYS A 374 -10.760 17.044 16.991 1.00 25.45 H new ATOM 0 HZ3 LYS A 374 -10.272 17.855 18.401 1.00 25.45 H new ATOM 467 N ILE A 375 -4.137 13.695 20.179 1.00 63.24 N ATOM 468 CA ILE A 375 -3.318 12.911 21.087 1.00 25.41 C ATOM 469 C ILE A 375 -2.249 13.811 21.710 1.00 42.24 C ATOM 470 O ILE A 375 -2.193 13.963 22.929 1.00 30.30 O ATOM 471 CB ILE A 375 -2.748 11.684 20.371 1.00 4.25 C ATOM 472 CG1 ILE A 375 -3.869 10.791 19.837 1.00 20.45 C ATOM 473 CG2 ILE A 375 -1.787 10.916 21.281 1.00 5.10 C ATOM 474 CD1 ILE A 375 -3.325 9.428 19.405 1.00 60.40 C ATOM 0 H ILE A 375 -3.651 14.028 19.346 1.00 63.24 H new ATOM 0 HA ILE A 375 -3.923 12.521 21.905 1.00 25.41 H new ATOM 0 HB ILE A 375 -2.173 12.027 19.511 1.00 4.25 H new ATOM 0 HG12 ILE A 375 -4.629 10.656 20.607 1.00 20.45 H new ATOM 0 HG13 ILE A 375 -4.355 11.277 18.991 1.00 20.45 H new ATOM 0 HG21 ILE A 375 -1.396 10.049 20.748 1.00 5.10 H new ATOM 0 HG22 ILE A 375 -0.962 11.567 21.570 1.00 5.10 H new ATOM 0 HG23 ILE A 375 -2.318 10.585 22.174 1.00 5.10 H new ATOM 0 HD11 ILE A 375 -4.142 8.812 19.029 1.00 60.40 H new ATOM 0 HD12 ILE A 375 -2.583 9.565 18.619 1.00 60.40 H new ATOM 0 HD13 ILE A 375 -2.862 8.934 20.259 1.00 60.40 H new ATOM 486 N CYS A 376 -1.427 14.385 20.844 1.00 42.53 N ATOM 487 CA CYS A 376 -0.363 15.267 21.293 1.00 2.13 C ATOM 488 C CYS A 376 -0.772 16.709 20.987 1.00 51.11 C ATOM 489 O CYS A 376 -0.176 17.651 21.507 1.00 13.11 O ATOM 490 CB CYS A 376 0.979 14.906 20.653 1.00 1.40 C ATOM 491 SG CYS A 376 1.215 13.123 20.317 1.00 34.15 S ATOM 0 H CYS A 376 -1.476 14.256 19.833 1.00 42.53 H new ATOM 0 HA CYS A 376 -0.221 15.151 22.368 1.00 2.13 H new ATOM 0 HB2 CYS A 376 1.078 15.454 19.716 1.00 1.40 H new ATOM 0 HB3 CYS A 376 1.781 15.247 21.308 1.00 1.40 H new ATOM 496 N ALA A 377 -1.786 16.836 20.144 1.00 52.22 N ATOM 497 CA ALA A 377 -2.282 18.148 19.762 1.00 71.51 C ATOM 498 C ALA A 377 -1.115 19.007 19.272 1.00 62.42 C ATOM 499 O ALA A 377 -0.997 20.172 19.646 1.00 13.41 O ATOM 500 CB ALA A 377 -3.015 18.781 20.946 1.00 73.10 C ATOM 0 H ALA A 377 -2.278 16.052 19.715 1.00 52.22 H new ATOM 0 HA ALA A 377 -2.996 18.065 18.943 1.00 71.51 H new ATOM 0 HB1 ALA A 377 -3.387 19.765 20.660 1.00 73.10 H new ATOM 0 HB2 ALA A 377 -3.853 18.147 21.237 1.00 73.10 H new ATOM 0 HB3 ALA A 377 -2.329 18.883 21.786 1.00 73.10 H new ATOM 506 N GLU A 378 -0.281 18.397 18.442 1.00 50.32 N ATOM 507 CA GLU A 378 0.873 19.092 17.897 1.00 70.15 C ATOM 508 C GLU A 378 0.949 18.888 16.382 1.00 33.31 C ATOM 509 O GLU A 378 0.871 19.848 15.618 1.00 52.40 O ATOM 510 CB GLU A 378 2.163 18.630 18.577 1.00 31.02 C ATOM 511 CG GLU A 378 2.469 19.484 19.809 1.00 43.41 C ATOM 512 CD GLU A 378 3.577 18.851 20.654 1.00 50.44 C ATOM 513 OE1 GLU A 378 4.729 18.768 20.203 1.00 61.42 O ATOM 514 OE2 GLU A 378 3.206 18.439 21.818 1.00 23.03 O ATOM 0 H GLU A 378 -0.381 17.430 18.134 1.00 50.32 H new ATOM 0 HA GLU A 378 0.758 20.158 18.096 1.00 70.15 H new ATOM 0 HB2 GLU A 378 2.070 17.584 18.869 1.00 31.02 H new ATOM 0 HB3 GLU A 378 2.992 18.692 17.872 1.00 31.02 H new ATOM 0 HG2 GLU A 378 2.771 20.484 19.497 1.00 43.41 H new ATOM 0 HG3 GLU A 378 1.567 19.597 20.411 1.00 43.41 H new ATOM 522 N ASN A 379 1.100 17.630 15.994 1.00 52.15 N ATOM 523 CA ASN A 379 1.187 17.288 14.584 1.00 30.41 C ATOM 524 C ASN A 379 -0.199 16.887 14.074 1.00 1.04 C ATOM 525 O ASN A 379 -1.092 16.586 14.865 1.00 50.41 O ATOM 526 CB ASN A 379 2.132 16.105 14.362 1.00 3.30 C ATOM 527 CG ASN A 379 3.400 16.251 15.206 1.00 30.11 C ATOM 528 OD1 ASN A 379 4.292 17.027 14.905 1.00 70.23 O ATOM 529 ND2 ASN A 379 3.430 15.463 16.277 1.00 11.34 N ATOM 0 H ASN A 379 1.164 16.836 16.631 1.00 52.15 H new ATOM 0 HA ASN A 379 1.566 18.159 14.049 1.00 30.41 H new ATOM 0 HB2 ASN A 379 1.624 15.176 14.620 1.00 3.30 H new ATOM 0 HB3 ASN A 379 2.398 16.041 13.307 1.00 3.30 H new ATOM 0 HD21 ASN A 379 4.234 15.486 16.904 1.00 11.34 H new ATOM 0 HD22 ASN A 379 2.649 14.836 16.471 1.00 11.34 H new ATOM 536 N ASP A 380 -0.335 16.896 12.757 1.00 61.15 N ATOM 537 CA ASP A 380 -1.597 16.537 12.132 1.00 41.21 C ATOM 538 C ASP A 380 -1.665 15.018 11.966 1.00 71.22 C ATOM 539 O ASP A 380 -0.661 14.326 12.130 1.00 14.13 O ATOM 540 CB ASP A 380 -1.725 17.171 10.745 1.00 23.42 C ATOM 541 CG ASP A 380 -1.512 18.685 10.704 1.00 54.20 C ATOM 542 OD1 ASP A 380 -1.773 19.394 11.688 1.00 73.34 O ATOM 543 OD2 ASP A 380 -1.052 19.141 9.588 1.00 12.03 O ATOM 0 H ASP A 380 0.408 17.146 12.105 1.00 61.15 H new ATOM 0 HA ASP A 380 -2.404 16.899 12.769 1.00 41.21 H new ATOM 0 HB2 ASP A 380 -1.003 16.699 10.079 1.00 23.42 H new ATOM 0 HB3 ASP A 380 -2.716 16.948 10.350 1.00 23.42 H new ATOM 549 N LYS A 381 -2.859 14.543 11.642 1.00 61.00 N ATOM 550 CA LYS A 381 -3.071 13.118 11.452 1.00 52.22 C ATOM 551 C LYS A 381 -2.367 12.669 10.170 1.00 73.32 C ATOM 552 O LYS A 381 -1.473 11.825 10.211 1.00 1.45 O ATOM 553 CB LYS A 381 -4.565 12.791 11.480 1.00 34.43 C ATOM 554 CG LYS A 381 -5.211 13.286 12.776 1.00 41.31 C ATOM 555 CD LYS A 381 -6.588 13.896 12.504 1.00 23.34 C ATOM 556 CE LYS A 381 -7.675 13.169 13.298 1.00 32.20 C ATOM 557 NZ LYS A 381 -8.891 12.996 12.473 1.00 54.15 N ATOM 0 H LYS A 381 -3.689 15.120 11.506 1.00 61.00 H new ATOM 0 HA LYS A 381 -2.629 12.554 12.273 1.00 52.22 H new ATOM 0 HB2 LYS A 381 -5.058 13.253 10.624 1.00 34.43 H new ATOM 0 HB3 LYS A 381 -4.707 11.714 11.387 1.00 34.43 H new ATOM 0 HG2 LYS A 381 -5.308 12.457 13.478 1.00 41.31 H new ATOM 0 HG3 LYS A 381 -4.567 14.029 13.247 1.00 41.31 H new ATOM 0 HD2 LYS A 381 -6.581 14.952 12.772 1.00 23.34 H new ATOM 0 HD3 LYS A 381 -6.811 13.839 11.439 1.00 23.34 H new ATOM 0 HE2 LYS A 381 -7.307 12.196 13.623 1.00 32.20 H new ATOM 0 HE3 LYS A 381 -7.916 13.735 14.198 1.00 32.20 H new ATOM 0 HZ1 LYS A 381 -9.389 12.131 12.766 1.00 54.15 H new ATOM 0 HZ2 LYS A 381 -9.517 13.816 12.601 1.00 54.15 H new ATOM 0 HZ3 LYS A 381 -8.623 12.918 11.471 1.00 54.15 H new ATOM 570 N ASP A 382 -2.798 13.252 9.061 1.00 62.12 N ATOM 571 CA ASP A 382 -2.220 12.922 7.769 1.00 31.00 C ATOM 572 C ASP A 382 -2.138 11.401 7.626 1.00 64.14 C ATOM 573 O ASP A 382 -1.308 10.889 6.876 1.00 23.30 O ATOM 574 CB ASP A 382 -0.804 13.487 7.639 1.00 72.45 C ATOM 575 CG ASP A 382 -0.011 13.553 8.945 1.00 34.34 C ATOM 576 OD1 ASP A 382 -0.201 14.467 9.762 1.00 62.42 O ATOM 577 OD2 ASP A 382 0.844 12.601 9.113 1.00 14.31 O ATOM 0 H ASP A 382 -3.540 13.951 9.030 1.00 62.12 H new ATOM 0 HA ASP A 382 -2.853 13.355 6.995 1.00 31.00 H new ATOM 0 HB2 ASP A 382 -0.250 12.877 6.926 1.00 72.45 H new ATOM 0 HB3 ASP A 382 -0.867 14.491 7.219 1.00 72.45 H new ATOM 583 N VAL A 383 -3.010 10.722 8.356 1.00 64.41 N ATOM 584 CA VAL A 383 -3.046 9.269 8.320 1.00 42.45 C ATOM 585 C VAL A 383 -4.470 8.792 8.609 1.00 72.32 C ATOM 586 O VAL A 383 -5.327 9.583 9.000 1.00 3.03 O ATOM 587 CB VAL A 383 -2.014 8.696 9.292 1.00 23.44 C ATOM 588 CG1 VAL A 383 -2.662 8.335 10.630 1.00 15.23 C ATOM 589 CG2 VAL A 383 -1.301 7.486 8.685 1.00 61.21 C ATOM 0 H VAL A 383 -3.697 11.150 8.976 1.00 64.41 H new ATOM 0 HA VAL A 383 -2.776 8.904 7.329 1.00 42.45 H new ATOM 0 HB VAL A 383 -1.266 9.467 9.479 1.00 23.44 H new ATOM 0 HG11 VAL A 383 -1.906 7.930 11.303 1.00 15.23 H new ATOM 0 HG12 VAL A 383 -3.102 9.228 11.074 1.00 15.23 H new ATOM 0 HG13 VAL A 383 -3.441 7.590 10.468 1.00 15.23 H new ATOM 0 HG21 VAL A 383 -0.573 7.098 9.397 1.00 61.21 H new ATOM 0 HG22 VAL A 383 -2.032 6.711 8.455 1.00 61.21 H new ATOM 0 HG23 VAL A 383 -0.790 7.786 7.770 1.00 61.21 H new ATOM 599 N LYS A 384 -4.680 7.499 8.405 1.00 43.53 N ATOM 600 CA LYS A 384 -5.986 6.907 8.639 1.00 63.14 C ATOM 601 C LYS A 384 -5.819 5.414 8.930 1.00 42.15 C ATOM 602 O LYS A 384 -4.919 4.770 8.392 1.00 0.13 O ATOM 603 CB LYS A 384 -6.926 7.204 7.469 1.00 12.21 C ATOM 604 CG LYS A 384 -8.246 6.446 7.621 1.00 73.54 C ATOM 605 CD LYS A 384 -9.307 6.995 6.664 1.00 31.45 C ATOM 606 CE LYS A 384 -10.714 6.792 7.231 1.00 23.32 C ATOM 607 NZ LYS A 384 -11.281 5.507 6.763 1.00 4.22 N ATOM 0 H LYS A 384 -3.967 6.845 8.080 1.00 43.53 H new ATOM 0 HA LYS A 384 -6.455 7.353 9.516 1.00 63.14 H new ATOM 0 HB2 LYS A 384 -7.121 8.275 7.418 1.00 12.21 H new ATOM 0 HB3 LYS A 384 -6.446 6.922 6.532 1.00 12.21 H new ATOM 0 HG2 LYS A 384 -8.086 5.386 7.423 1.00 73.54 H new ATOM 0 HG3 LYS A 384 -8.600 6.528 8.648 1.00 73.54 H new ATOM 0 HD2 LYS A 384 -9.131 8.056 6.490 1.00 31.45 H new ATOM 0 HD3 LYS A 384 -9.224 6.496 5.699 1.00 31.45 H new ATOM 0 HE2 LYS A 384 -10.679 6.806 8.320 1.00 23.32 H new ATOM 0 HE3 LYS A 384 -11.359 7.615 6.923 1.00 23.32 H new ATOM 0 HZ1 LYS A 384 -12.236 5.385 7.157 1.00 4.22 H new ATOM 0 HZ2 LYS A 384 -11.332 5.508 5.724 1.00 4.22 H new ATOM 0 HZ3 LYS A 384 -10.674 4.724 7.079 1.00 4.22 H new ATOM 620 N ILE A 385 -6.700 4.907 9.779 1.00 12.30 N ATOM 621 CA ILE A 385 -6.662 3.502 10.148 1.00 42.32 C ATOM 622 C ILE A 385 -7.853 2.781 9.515 1.00 72.43 C ATOM 623 O ILE A 385 -8.977 3.279 9.553 1.00 50.14 O ATOM 624 CB ILE A 385 -6.587 3.349 11.668 1.00 13.33 C ATOM 625 CG1 ILE A 385 -5.360 4.068 12.232 1.00 11.32 C ATOM 626 CG2 ILE A 385 -6.624 1.874 12.073 1.00 0.33 C ATOM 627 CD1 ILE A 385 -4.075 3.315 11.883 1.00 1.11 C ATOM 0 H ILE A 385 -7.445 5.444 10.222 1.00 12.30 H new ATOM 0 HA ILE A 385 -5.760 3.030 9.759 1.00 42.32 H new ATOM 0 HB ILE A 385 -7.466 3.824 12.103 1.00 13.33 H new ATOM 0 HG12 ILE A 385 -5.312 5.081 11.832 1.00 11.32 H new ATOM 0 HG13 ILE A 385 -5.451 4.156 13.315 1.00 11.32 H new ATOM 0 HG21 ILE A 385 -6.569 1.793 13.159 1.00 0.33 H new ATOM 0 HG22 ILE A 385 -7.552 1.423 11.722 1.00 0.33 H new ATOM 0 HG23 ILE A 385 -5.777 1.353 11.627 1.00 0.33 H new ATOM 0 HD11 ILE A 385 -3.218 3.847 12.296 1.00 1.11 H new ATOM 0 HD12 ILE A 385 -4.116 2.311 12.305 1.00 1.11 H new ATOM 0 HD13 ILE A 385 -3.974 3.250 10.800 1.00 1.11 H new ATOM 639 N GLU A 386 -7.567 1.618 8.947 1.00 4.24 N ATOM 640 CA GLU A 386 -8.600 0.823 8.307 1.00 74.10 C ATOM 641 C GLU A 386 -8.427 -0.656 8.659 1.00 11.12 C ATOM 642 O GLU A 386 -7.352 -1.074 9.085 1.00 22.31 O ATOM 643 CB GLU A 386 -8.592 1.030 6.791 1.00 5.12 C ATOM 644 CG GLU A 386 -9.690 2.006 6.365 1.00 44.52 C ATOM 645 CD GLU A 386 -10.093 1.776 4.907 1.00 62.40 C ATOM 646 OE1 GLU A 386 -9.312 2.078 3.992 1.00 23.35 O ATOM 647 OE2 GLU A 386 -11.264 1.261 4.740 1.00 10.41 O ATOM 0 H GLU A 386 -6.634 1.208 8.917 1.00 4.24 H new ATOM 0 HA GLU A 386 -9.569 1.154 8.681 1.00 74.10 H new ATOM 0 HB2 GLU A 386 -7.620 1.411 6.478 1.00 5.12 H new ATOM 0 HB3 GLU A 386 -8.736 0.073 6.289 1.00 5.12 H new ATOM 0 HG2 GLU A 386 -10.560 1.884 7.010 1.00 44.52 H new ATOM 0 HG3 GLU A 386 -9.340 3.030 6.492 1.00 44.52 H new ATOM 655 N PRO A 387 -9.530 -1.427 8.463 1.00 14.42 N ATOM 656 CA PRO A 387 -10.764 -0.852 7.955 1.00 13.34 C ATOM 657 C PRO A 387 -11.479 -0.043 9.040 1.00 54.14 C ATOM 658 O PRO A 387 -12.491 0.616 8.803 1.00 53.12 O ATOM 659 CB PRO A 387 -11.578 -2.038 7.465 1.00 14.11 C ATOM 660 CG PRO A 387 -10.977 -3.262 8.136 1.00 61.12 C ATOM 661 CD PRO A 387 -9.632 -2.860 8.719 1.00 61.40 C ATOM 0 HA PRO A 387 -10.595 -0.141 7.147 1.00 13.34 H new ATOM 0 HB2 PRO A 387 -12.630 -1.925 7.728 1.00 14.11 H new ATOM 0 HB3 PRO A 387 -11.529 -2.124 6.380 1.00 14.11 H new ATOM 0 HG2 PRO A 387 -11.638 -3.631 8.920 1.00 61.12 H new ATOM 0 HG3 PRO A 387 -10.855 -4.071 7.416 1.00 61.12 H new ATOM 0 HD2 PRO A 387 -9.583 -3.076 9.786 1.00 61.40 H new ATOM 0 HD3 PRO A 387 -8.816 -3.406 8.245 1.00 61.40 H new ATOM 669 N CYS A 388 -10.925 -0.108 10.246 1.00 34.14 N ATOM 670 CA CYS A 388 -11.488 0.606 11.386 1.00 42.10 C ATOM 671 C CYS A 388 -12.018 1.973 10.964 1.00 10.52 C ATOM 672 O CYS A 388 -13.228 2.127 10.807 1.00 13.43 O ATOM 673 CB CYS A 388 -10.433 0.772 12.482 1.00 55.02 C ATOM 674 SG CYS A 388 -10.941 1.875 13.840 1.00 2.32 S ATOM 0 H CYS A 388 -10.086 -0.648 10.459 1.00 34.14 H new ATOM 0 HA CYS A 388 -12.319 0.018 11.776 1.00 42.10 H new ATOM 0 HB2 CYS A 388 -10.195 -0.209 12.894 1.00 55.02 H new ATOM 0 HB3 CYS A 388 -9.518 1.161 12.035 1.00 55.02 H new ATOM 679 N GLY A 389 -11.112 2.925 10.793 1.00 71.13 N ATOM 680 CA GLY A 389 -11.502 4.266 10.392 1.00 0.23 C ATOM 681 C GLY A 389 -11.095 5.294 11.450 1.00 40.21 C ATOM 682 O GLY A 389 -11.816 6.261 11.690 1.00 1.44 O ATOM 0 H GLY A 389 -10.109 2.794 10.925 1.00 71.13 H new ATOM 0 HA2 GLY A 389 -11.035 4.515 9.439 1.00 0.23 H new ATOM 0 HA3 GLY A 389 -12.580 4.304 10.238 1.00 0.23 H new ATOM 686 N HIS A 390 -9.941 5.050 12.053 1.00 31.14 N ATOM 687 CA HIS A 390 -9.430 5.942 13.080 1.00 44.43 C ATOM 688 C HIS A 390 -8.228 6.716 12.534 1.00 2.52 C ATOM 689 O HIS A 390 -7.302 6.124 11.981 1.00 14.31 O ATOM 690 CB HIS A 390 -9.106 5.169 14.360 1.00 45.34 C ATOM 691 CG HIS A 390 -10.313 4.557 15.030 1.00 44.25 C ATOM 692 ND1 HIS A 390 -10.213 3.667 16.085 1.00 55.31 N ATOM 693 CD2 HIS A 390 -11.645 4.717 14.784 1.00 22.22 C ATOM 694 CE1 HIS A 390 -11.437 3.313 16.450 1.00 41.15 C ATOM 695 NE2 HIS A 390 -12.323 3.964 15.642 1.00 45.21 N ATOM 0 H HIS A 390 -9.345 4.247 11.850 1.00 31.14 H new ATOM 0 HA HIS A 390 -10.196 6.670 13.349 1.00 44.43 H new ATOM 0 HB2 HIS A 390 -8.394 4.378 14.124 1.00 45.34 H new ATOM 0 HB3 HIS A 390 -8.614 5.841 15.063 1.00 45.34 H new ATOM 0 HD2 HIS A 390 -12.075 5.349 14.021 1.00 22.22 H new ATOM 0 HE1 HIS A 390 -11.689 2.629 17.247 1.00 41.15 H new ATOM 0 HE2 HIS A 390 -13.339 3.885 15.689 1.00 45.21 H new ATOM 703 N LEU A 391 -8.281 8.029 12.709 1.00 71.31 N ATOM 704 CA LEU A 391 -7.209 8.890 12.241 1.00 4.21 C ATOM 705 C LEU A 391 -6.280 9.223 13.411 1.00 72.40 C ATOM 706 O LEU A 391 -6.667 9.092 14.571 1.00 0.54 O ATOM 707 CB LEU A 391 -7.780 10.124 11.540 1.00 42.05 C ATOM 708 CG LEU A 391 -9.000 9.884 10.648 1.00 11.13 C ATOM 709 CD1 LEU A 391 -9.954 11.079 10.692 1.00 53.10 C ATOM 710 CD2 LEU A 391 -8.576 9.541 9.219 1.00 51.02 C ATOM 0 H LEU A 391 -9.050 8.517 13.169 1.00 71.31 H new ATOM 0 HA LEU A 391 -6.607 8.376 11.492 1.00 4.21 H new ATOM 0 HB2 LEU A 391 -8.049 10.857 12.300 1.00 42.05 H new ATOM 0 HB3 LEU A 391 -6.992 10.569 10.932 1.00 42.05 H new ATOM 0 HG LEU A 391 -9.544 9.023 11.037 1.00 11.13 H new ATOM 0 HD11 LEU A 391 -10.813 10.883 10.050 1.00 53.10 H new ATOM 0 HD12 LEU A 391 -10.295 11.235 11.716 1.00 53.10 H new ATOM 0 HD13 LEU A 391 -9.435 11.972 10.342 1.00 53.10 H new ATOM 0 HD21 LEU A 391 -9.462 9.375 8.606 1.00 51.02 H new ATOM 0 HD22 LEU A 391 -7.997 10.366 8.804 1.00 51.02 H new ATOM 0 HD23 LEU A 391 -7.967 8.637 9.227 1.00 51.02 H new ATOM 722 N MET A 392 -5.073 9.645 13.065 1.00 11.23 N ATOM 723 CA MET A 392 -4.087 9.997 14.072 1.00 5.23 C ATOM 724 C MET A 392 -2.796 10.500 13.423 1.00 44.30 C ATOM 725 O MET A 392 -2.632 10.409 12.207 1.00 4.23 O ATOM 726 CB MET A 392 -3.780 8.773 14.937 1.00 62.34 C ATOM 727 CG MET A 392 -3.095 7.679 14.115 1.00 61.05 C ATOM 728 SD MET A 392 -3.004 6.169 15.062 1.00 10.35 S ATOM 729 CE MET A 392 -4.744 5.847 15.300 1.00 4.44 C ATOM 0 H MET A 392 -4.756 9.751 12.101 1.00 11.23 H new ATOM 0 HA MET A 392 -4.496 10.796 14.690 1.00 5.23 H new ATOM 0 HB2 MET A 392 -3.139 9.063 15.769 1.00 62.34 H new ATOM 0 HB3 MET A 392 -4.704 8.386 15.366 1.00 62.34 H new ATOM 0 HG2 MET A 392 -3.648 7.506 13.192 1.00 61.05 H new ATOM 0 HG3 MET A 392 -2.093 8.000 13.830 1.00 61.05 H new ATOM 0 HE1 MET A 392 -4.884 4.809 15.601 1.00 4.44 H new ATOM 0 HE2 MET A 392 -5.133 6.505 16.077 1.00 4.44 H new ATOM 0 HE3 MET A 392 -5.279 6.030 14.368 1.00 4.44 H new ATOM 739 N CYS A 393 -1.912 11.020 14.262 1.00 13.35 N ATOM 740 CA CYS A 393 -0.641 11.538 13.785 1.00 32.15 C ATOM 741 C CYS A 393 0.379 10.398 13.802 1.00 34.53 C ATOM 742 O CYS A 393 0.727 9.887 14.866 1.00 51.11 O ATOM 743 CB CYS A 393 -0.172 12.736 14.614 1.00 64.34 C ATOM 744 SG CYS A 393 -0.284 12.507 16.426 1.00 53.33 S ATOM 0 H CYS A 393 -2.051 11.094 15.270 1.00 13.35 H new ATOM 0 HA CYS A 393 -0.755 11.907 12.766 1.00 32.15 H new ATOM 0 HB2 CYS A 393 0.863 12.957 14.353 1.00 64.34 H new ATOM 0 HB3 CYS A 393 -0.764 13.607 14.335 1.00 64.34 H new ATOM 749 N THR A 394 0.829 10.031 12.611 1.00 12.33 N ATOM 750 CA THR A 394 1.802 8.961 12.476 1.00 72.43 C ATOM 751 C THR A 394 2.944 9.148 13.476 1.00 12.04 C ATOM 752 O THR A 394 3.233 8.253 14.269 1.00 73.21 O ATOM 753 CB THR A 394 2.269 8.928 11.019 1.00 2.23 C ATOM 754 OG1 THR A 394 1.078 9.144 10.268 1.00 61.05 O ATOM 755 CG2 THR A 394 2.737 7.538 10.585 1.00 31.53 C ATOM 0 H THR A 394 0.537 10.456 11.731 1.00 12.33 H new ATOM 0 HA THR A 394 1.360 7.993 12.713 1.00 72.43 H new ATOM 0 HB THR A 394 3.081 9.643 10.882 1.00 2.23 H new ATOM 0 HG1 THR A 394 1.289 9.140 9.311 1.00 61.05 H new ATOM 0 HG21 THR A 394 3.057 7.571 9.544 1.00 31.53 H new ATOM 0 HG22 THR A 394 3.571 7.223 11.212 1.00 31.53 H new ATOM 0 HG23 THR A 394 1.916 6.828 10.690 1.00 31.53 H new ATOM 763 N SER A 395 3.562 10.318 13.407 1.00 23.34 N ATOM 764 CA SER A 395 4.666 10.634 14.298 1.00 43.15 C ATOM 765 C SER A 395 4.306 10.252 15.735 1.00 52.44 C ATOM 766 O SER A 395 5.183 9.922 16.531 1.00 35.35 O ATOM 767 CB SER A 395 5.030 12.118 14.218 1.00 61.02 C ATOM 768 OG SER A 395 5.516 12.480 12.928 1.00 22.00 O ATOM 0 H SER A 395 3.320 11.058 12.748 1.00 23.34 H new ATOM 0 HA SER A 395 5.535 10.057 13.983 1.00 43.15 H new ATOM 0 HB2 SER A 395 4.153 12.720 14.457 1.00 61.02 H new ATOM 0 HB3 SER A 395 5.787 12.346 14.968 1.00 61.02 H new ATOM 0 HG SER A 395 5.736 13.435 12.917 1.00 22.00 H new ATOM 774 N CYS A 396 3.014 10.311 16.022 1.00 32.01 N ATOM 775 CA CYS A 396 2.526 9.976 17.349 1.00 24.42 C ATOM 776 C CYS A 396 2.302 8.463 17.410 1.00 14.55 C ATOM 777 O CYS A 396 2.566 7.834 18.434 1.00 63.05 O ATOM 778 CB CYS A 396 1.258 10.756 17.700 1.00 71.12 C ATOM 779 SG CYS A 396 1.163 12.433 16.973 1.00 32.31 S ATOM 0 H CYS A 396 2.290 10.586 15.358 1.00 32.01 H new ATOM 0 HA CYS A 396 3.267 10.263 18.095 1.00 24.42 H new ATOM 0 HB2 CYS A 396 0.392 10.182 17.369 1.00 71.12 H new ATOM 0 HB3 CYS A 396 1.189 10.841 18.784 1.00 71.12 H new ATOM 784 N LEU A 397 1.815 7.924 16.302 1.00 5.32 N ATOM 785 CA LEU A 397 1.552 6.498 16.217 1.00 20.10 C ATOM 786 C LEU A 397 2.817 5.726 16.597 1.00 3.44 C ATOM 787 O LEU A 397 2.761 4.786 17.388 1.00 20.20 O ATOM 788 CB LEU A 397 1.003 6.136 14.836 1.00 61.15 C ATOM 789 CG LEU A 397 0.504 4.699 14.667 1.00 1.43 C ATOM 790 CD1 LEU A 397 0.002 4.457 13.243 1.00 63.44 C ATOM 791 CD2 LEU A 397 1.582 3.693 15.075 1.00 44.25 C ATOM 0 H LEU A 397 1.596 8.449 15.456 1.00 5.32 H new ATOM 0 HA LEU A 397 0.777 6.211 16.928 1.00 20.10 H new ATOM 0 HB2 LEU A 397 0.182 6.814 14.604 1.00 61.15 H new ATOM 0 HB3 LEU A 397 1.784 6.317 14.098 1.00 61.15 H new ATOM 0 HG LEU A 397 -0.344 4.550 15.336 1.00 1.43 H new ATOM 0 HD11 LEU A 397 -0.347 3.428 13.150 1.00 63.44 H new ATOM 0 HD12 LEU A 397 -0.819 5.140 13.026 1.00 63.44 H new ATOM 0 HD13 LEU A 397 0.814 4.630 12.537 1.00 63.44 H new ATOM 0 HD21 LEU A 397 1.202 2.680 14.945 1.00 44.25 H new ATOM 0 HD22 LEU A 397 2.465 3.832 14.451 1.00 44.25 H new ATOM 0 HD23 LEU A 397 1.849 3.849 16.120 1.00 44.25 H new ATOM 803 N THR A 398 3.929 6.153 16.017 1.00 41.12 N ATOM 804 CA THR A 398 5.206 5.514 16.285 1.00 43.20 C ATOM 805 C THR A 398 5.476 5.472 17.790 1.00 11.34 C ATOM 806 O THR A 398 6.061 4.514 18.293 1.00 1.44 O ATOM 807 CB THR A 398 6.283 6.261 15.495 1.00 24.53 C ATOM 808 OG1 THR A 398 6.386 5.533 14.275 1.00 61.43 O ATOM 809 CG2 THR A 398 7.671 6.127 16.127 1.00 73.13 C ATOM 0 H THR A 398 3.972 6.934 15.362 1.00 41.12 H new ATOM 0 HA THR A 398 5.204 4.474 15.958 1.00 43.20 H new ATOM 0 HB THR A 398 6.016 7.315 15.425 1.00 24.53 H new ATOM 0 HG1 THR A 398 7.062 5.950 13.701 1.00 61.43 H new ATOM 0 HG21 THR A 398 8.398 6.675 15.528 1.00 73.13 H new ATOM 0 HG22 THR A 398 7.652 6.536 17.137 1.00 73.13 H new ATOM 0 HG23 THR A 398 7.953 5.075 16.166 1.00 73.13 H new ATOM 817 N ALA A 399 5.036 6.523 18.467 1.00 21.23 N ATOM 818 CA ALA A 399 5.223 6.618 19.905 1.00 14.22 C ATOM 819 C ALA A 399 4.465 5.479 20.590 1.00 23.30 C ATOM 820 O ALA A 399 4.834 5.052 21.683 1.00 64.10 O ATOM 821 CB ALA A 399 4.765 7.996 20.389 1.00 25.32 C ATOM 0 H ALA A 399 4.551 7.316 18.046 1.00 21.23 H new ATOM 0 HA ALA A 399 6.277 6.515 20.163 1.00 14.22 H new ATOM 0 HB1 ALA A 399 4.905 8.068 21.468 1.00 25.32 H new ATOM 0 HB2 ALA A 399 5.353 8.769 19.894 1.00 25.32 H new ATOM 0 HB3 ALA A 399 3.710 8.134 20.150 1.00 25.32 H new ATOM 827 N TRP A 400 3.420 5.018 19.919 1.00 53.51 N ATOM 828 CA TRP A 400 2.607 3.937 20.449 1.00 22.20 C ATOM 829 C TRP A 400 3.323 2.618 20.151 1.00 70.22 C ATOM 830 O TRP A 400 3.550 1.813 21.053 1.00 74.44 O ATOM 831 CB TRP A 400 1.188 3.988 19.881 1.00 54.31 C ATOM 832 CG TRP A 400 0.529 2.616 19.725 1.00 25.21 C ATOM 833 CD1 TRP A 400 0.320 1.925 18.596 1.00 31.23 C ATOM 834 CD2 TRP A 400 0.000 1.791 20.784 1.00 23.24 C ATOM 835 NE1 TRP A 400 -0.303 0.720 18.849 1.00 32.44 N ATOM 836 CE2 TRP A 400 -0.504 0.636 20.222 1.00 25.43 C ATOM 837 CE3 TRP A 400 -0.051 2.013 22.172 1.00 43.23 C ATOM 838 CZ2 TRP A 400 -1.095 -0.388 20.973 1.00 4.30 C ATOM 839 CZ3 TRP A 400 -0.645 0.981 22.908 1.00 4.11 C ATOM 840 CH2 TRP A 400 -1.157 -0.188 22.357 1.00 3.23 C ATOM 0 H TRP A 400 3.117 5.374 19.012 1.00 53.51 H new ATOM 0 HA TRP A 400 2.491 4.035 21.528 1.00 22.20 H new ATOM 0 HB2 TRP A 400 0.569 4.605 20.533 1.00 54.31 H new ATOM 0 HB3 TRP A 400 1.215 4.479 18.908 1.00 54.31 H new ATOM 0 HD1 TRP A 400 0.603 2.268 17.612 1.00 31.23 H new ATOM 0 HE1 TRP A 400 -0.567 0.020 18.156 1.00 32.44 H new ATOM 0 HE3 TRP A 400 0.337 2.909 22.633 1.00 43.23 H new ATOM 0 HZ2 TRP A 400 -1.482 -1.283 20.509 1.00 4.30 H new ATOM 0 HZ3 TRP A 400 -0.710 1.102 23.979 1.00 4.11 H new ATOM 0 HH2 TRP A 400 -1.601 -0.939 22.994 1.00 3.23 H new ATOM 851 N GLN A 401 3.659 2.438 18.882 1.00 61.40 N ATOM 852 CA GLN A 401 4.345 1.230 18.454 1.00 54.25 C ATOM 853 C GLN A 401 5.701 1.113 19.152 1.00 12.41 C ATOM 854 O GLN A 401 6.355 0.075 19.075 1.00 65.03 O ATOM 855 CB GLN A 401 4.507 1.202 16.932 1.00 2.45 C ATOM 856 CG GLN A 401 3.145 1.172 16.236 1.00 43.41 C ATOM 857 CD GLN A 401 2.840 -0.224 15.689 1.00 14.43 C ATOM 858 OE1 GLN A 401 3.647 -1.136 15.759 1.00 53.04 O ATOM 859 NE2 GLN A 401 1.632 -0.338 15.144 1.00 62.54 N ATOM 0 H GLN A 401 3.469 3.108 18.137 1.00 61.40 H new ATOM 0 HA GLN A 401 3.738 0.371 18.738 1.00 54.25 H new ATOM 0 HB2 GLN A 401 5.067 2.079 16.606 1.00 2.45 H new ATOM 0 HB3 GLN A 401 5.088 0.327 16.641 1.00 2.45 H new ATOM 0 HG2 GLN A 401 2.367 1.469 16.939 1.00 43.41 H new ATOM 0 HG3 GLN A 401 3.133 1.896 15.422 1.00 43.41 H new ATOM 0 HE21 GLN A 401 1.006 0.467 15.119 1.00 62.54 H new ATOM 0 HE22 GLN A 401 1.332 -1.230 14.751 1.00 62.54 H new ATOM 868 N GLU A 402 6.082 2.193 19.818 1.00 3.24 N ATOM 869 CA GLU A 402 7.349 2.225 20.530 1.00 33.21 C ATOM 870 C GLU A 402 7.633 0.864 21.169 1.00 15.03 C ATOM 871 O GLU A 402 8.603 0.197 20.813 1.00 12.20 O ATOM 872 CB GLU A 402 7.359 3.337 21.581 1.00 65.02 C ATOM 873 CG GLU A 402 7.886 4.646 20.989 1.00 65.44 C ATOM 874 CD GLU A 402 7.664 5.813 21.953 1.00 62.51 C ATOM 875 OE1 GLU A 402 6.986 5.649 22.978 1.00 25.24 O ATOM 876 OE2 GLU A 402 8.226 6.921 21.606 1.00 34.01 O ATOM 0 H GLU A 402 5.536 3.052 19.880 1.00 3.24 H new ATOM 0 HA GLU A 402 8.141 2.440 19.813 1.00 33.21 H new ATOM 0 HB2 GLU A 402 6.350 3.488 21.966 1.00 65.02 H new ATOM 0 HB3 GLU A 402 7.981 3.039 22.425 1.00 65.02 H new ATOM 0 HG2 GLU A 402 8.949 4.548 20.770 1.00 65.44 H new ATOM 0 HG3 GLU A 402 7.383 4.850 20.044 1.00 65.44 H new ATOM 884 N SER A 403 6.768 0.492 22.102 1.00 4.43 N ATOM 885 CA SER A 403 6.914 -0.777 22.794 1.00 1.14 C ATOM 886 C SER A 403 5.645 -1.615 22.623 1.00 4.23 C ATOM 887 O SER A 403 5.690 -2.841 22.710 1.00 4.14 O ATOM 888 CB SER A 403 7.213 -0.563 24.280 1.00 73.34 C ATOM 889 OG SER A 403 8.612 -0.482 24.536 1.00 1.24 O ATOM 0 H SER A 403 5.964 1.047 22.394 1.00 4.43 H new ATOM 0 HA SER A 403 7.757 -1.311 22.355 1.00 1.14 H new ATOM 0 HB2 SER A 403 6.729 0.353 24.619 1.00 73.34 H new ATOM 0 HB3 SER A 403 6.785 -1.383 24.858 1.00 73.34 H new ATOM 0 HG SER A 403 8.762 -0.344 25.495 1.00 1.24 H new ATOM 895 N ASP A 404 4.543 -0.920 22.383 1.00 45.41 N ATOM 896 CA ASP A 404 3.264 -1.584 22.199 1.00 65.22 C ATOM 897 C ASP A 404 3.160 -2.090 20.759 1.00 62.04 C ATOM 898 O ASP A 404 3.569 -3.211 20.459 1.00 13.05 O ATOM 899 CB ASP A 404 2.102 -0.621 22.447 1.00 44.53 C ATOM 900 CG ASP A 404 1.534 -0.645 23.867 1.00 52.11 C ATOM 901 OD1 ASP A 404 2.048 0.029 24.772 1.00 32.33 O ATOM 902 OD2 ASP A 404 0.505 -1.406 24.029 1.00 12.22 O ATOM 0 H ASP A 404 4.510 0.097 22.312 1.00 45.41 H new ATOM 0 HA ASP A 404 3.207 -2.408 22.910 1.00 65.22 H new ATOM 0 HB2 ASP A 404 2.435 0.392 22.222 1.00 44.53 H new ATOM 0 HB3 ASP A 404 1.300 -0.855 21.747 1.00 44.53 H new ATOM 908 N GLY A 405 2.611 -1.239 19.905 1.00 51.14 N ATOM 909 CA GLY A 405 2.448 -1.586 18.503 1.00 54.40 C ATOM 910 C GLY A 405 1.389 -2.676 18.327 1.00 13.15 C ATOM 911 O GLY A 405 1.490 -3.505 17.424 1.00 14.41 O ATOM 0 H GLY A 405 2.273 -0.310 20.157 1.00 51.14 H new ATOM 0 HA2 GLY A 405 2.161 -0.700 17.937 1.00 54.40 H new ATOM 0 HA3 GLY A 405 3.399 -1.929 18.097 1.00 54.40 H new ATOM 915 N GLN A 406 0.397 -2.640 19.206 1.00 63.13 N ATOM 916 CA GLN A 406 -0.679 -3.615 19.159 1.00 13.12 C ATOM 917 C GLN A 406 -1.827 -3.097 18.290 1.00 62.33 C ATOM 918 O GLN A 406 -2.927 -2.860 18.785 1.00 14.11 O ATOM 919 CB GLN A 406 -1.170 -3.958 20.567 1.00 2.43 C ATOM 920 CG GLN A 406 -1.711 -5.387 20.626 1.00 33.44 C ATOM 921 CD GLN A 406 -0.570 -6.407 20.612 1.00 13.25 C ATOM 922 OE1 GLN A 406 0.601 -6.066 20.610 1.00 41.13 O ATOM 923 NE2 GLN A 406 -0.976 -7.673 20.604 1.00 74.20 N ATOM 0 H GLN A 406 0.316 -1.951 19.954 1.00 63.13 H new ATOM 0 HA GLN A 406 -0.294 -4.531 18.711 1.00 13.12 H new ATOM 0 HB2 GLN A 406 -0.352 -3.845 21.279 1.00 2.43 H new ATOM 0 HB3 GLN A 406 -1.950 -3.257 20.865 1.00 2.43 H new ATOM 0 HG2 GLN A 406 -2.308 -5.516 21.529 1.00 33.44 H new ATOM 0 HG3 GLN A 406 -2.372 -5.564 19.778 1.00 33.44 H new ATOM 0 HE21 GLN A 406 -1.973 -7.889 20.606 1.00 74.20 H new ATOM 0 HE22 GLN A 406 -0.291 -8.428 20.596 1.00 74.20 H new ATOM 932 N GLY A 407 -1.530 -2.938 17.008 1.00 15.53 N ATOM 933 CA GLY A 407 -2.524 -2.452 16.065 1.00 22.42 C ATOM 934 C GLY A 407 -2.914 -1.006 16.376 1.00 74.01 C ATOM 935 O GLY A 407 -2.148 -0.272 16.998 1.00 32.44 O ATOM 0 H GLY A 407 -0.616 -3.137 16.601 1.00 15.53 H new ATOM 0 HA2 GLY A 407 -2.130 -2.516 15.051 1.00 22.42 H new ATOM 0 HA3 GLY A 407 -3.409 -3.087 16.104 1.00 22.42 H new ATOM 939 N CYS A 408 -4.106 -0.639 15.928 1.00 71.32 N ATOM 940 CA CYS A 408 -4.608 0.706 16.150 1.00 3.11 C ATOM 941 C CYS A 408 -4.622 0.970 17.657 1.00 54.40 C ATOM 942 O CYS A 408 -5.185 0.189 18.422 1.00 23.04 O ATOM 943 CB CYS A 408 -5.989 0.906 15.522 1.00 25.11 C ATOM 944 SG CYS A 408 -6.438 2.650 15.195 1.00 20.55 S ATOM 0 H CYS A 408 -4.739 -1.250 15.412 1.00 71.32 H new ATOM 0 HA CYS A 408 -3.952 1.427 15.662 1.00 3.11 H new ATOM 0 HB2 CYS A 408 -6.029 0.353 14.584 1.00 25.11 H new ATOM 0 HB3 CYS A 408 -6.739 0.470 16.182 1.00 25.11 H new ATOM 949 N PRO A 409 -3.981 2.104 18.048 1.00 41.10 N ATOM 950 CA PRO A 409 -3.915 2.481 19.450 1.00 50.24 C ATOM 951 C PRO A 409 -5.258 3.033 19.933 1.00 42.13 C ATOM 952 O PRO A 409 -5.395 3.412 21.095 1.00 75.31 O ATOM 953 CB PRO A 409 -2.790 3.500 19.530 1.00 13.44 C ATOM 954 CG PRO A 409 -2.579 4.001 18.111 1.00 41.32 C ATOM 955 CD PRO A 409 -3.304 3.053 17.169 1.00 2.44 C ATOM 0 HA PRO A 409 -3.714 1.633 20.105 1.00 50.24 H new ATOM 0 HB2 PRO A 409 -3.053 4.320 20.199 1.00 13.44 H new ATOM 0 HB3 PRO A 409 -1.880 3.047 19.923 1.00 13.44 H new ATOM 0 HG2 PRO A 409 -2.964 5.015 18.003 1.00 41.32 H new ATOM 0 HG3 PRO A 409 -1.516 4.037 17.873 1.00 41.32 H new ATOM 0 HD2 PRO A 409 -4.016 3.587 16.540 1.00 2.44 H new ATOM 0 HD3 PRO A 409 -2.606 2.547 16.502 1.00 2.44 H new ATOM 963 N PHE A 410 -6.214 3.061 19.016 1.00 11.01 N ATOM 964 CA PHE A 410 -7.541 3.560 19.334 1.00 12.00 C ATOM 965 C PHE A 410 -8.471 2.418 19.750 1.00 12.50 C ATOM 966 O PHE A 410 -9.275 2.571 20.669 1.00 44.12 O ATOM 967 CB PHE A 410 -8.090 4.212 18.063 1.00 31.14 C ATOM 968 CG PHE A 410 -7.647 5.663 17.867 1.00 13.34 C ATOM 969 CD1 PHE A 410 -6.400 6.051 18.248 1.00 53.03 C ATOM 970 CD2 PHE A 410 -8.500 6.566 17.313 1.00 35.31 C ATOM 971 CE1 PHE A 410 -5.989 7.398 18.066 1.00 74.01 C ATOM 972 CE2 PHE A 410 -8.089 7.913 17.131 1.00 35.33 C ATOM 973 CZ PHE A 410 -6.843 8.300 17.512 1.00 44.44 C ATOM 0 H PHE A 410 -6.096 2.746 18.053 1.00 11.01 H new ATOM 0 HA PHE A 410 -7.484 4.267 20.162 1.00 12.00 H new ATOM 0 HB2 PHE A 410 -7.773 3.626 17.200 1.00 31.14 H new ATOM 0 HB3 PHE A 410 -9.179 4.176 18.090 1.00 31.14 H new ATOM 0 HD1 PHE A 410 -5.723 5.335 18.689 1.00 53.03 H new ATOM 0 HD2 PHE A 410 -9.490 6.258 17.011 1.00 35.31 H new ATOM 0 HE1 PHE A 410 -4.999 7.706 18.367 1.00 74.01 H new ATOM 0 HE2 PHE A 410 -8.766 8.630 16.690 1.00 35.33 H new ATOM 0 HZ PHE A 410 -6.531 9.325 17.375 1.00 44.44 H new ATOM 983 N CYS A 411 -8.331 1.300 19.054 1.00 51.14 N ATOM 984 CA CYS A 411 -9.149 0.133 19.339 1.00 3.31 C ATOM 985 C CYS A 411 -8.221 -1.019 19.729 1.00 72.43 C ATOM 986 O CYS A 411 -8.650 -2.171 19.794 1.00 4.50 O ATOM 987 CB CYS A 411 -10.047 -0.232 18.155 1.00 5.32 C ATOM 988 SG CYS A 411 -9.409 0.288 16.520 1.00 34.42 S ATOM 0 H CYS A 411 -7.663 1.177 18.293 1.00 51.14 H new ATOM 0 HA CYS A 411 -9.824 0.351 20.167 1.00 3.31 H new ATOM 0 HB2 CYS A 411 -10.192 -1.312 18.146 1.00 5.32 H new ATOM 0 HB3 CYS A 411 -11.027 0.220 18.307 1.00 5.32 H new ATOM 993 N ARG A 412 -6.968 -0.670 19.977 1.00 3.14 N ATOM 994 CA ARG A 412 -5.976 -1.661 20.359 1.00 70.22 C ATOM 995 C ARG A 412 -6.188 -2.955 19.570 1.00 42.23 C ATOM 996 O ARG A 412 -5.913 -4.044 20.071 1.00 45.22 O ATOM 997 CB ARG A 412 -6.051 -1.967 21.856 1.00 22.20 C ATOM 998 CG ARG A 412 -5.563 -0.777 22.684 1.00 11.50 C ATOM 999 CD ARG A 412 -4.047 -0.831 22.883 1.00 31.30 C ATOM 1000 NE ARG A 412 -3.661 -2.133 23.473 1.00 43.44 N ATOM 1001 CZ ARG A 412 -3.627 -2.382 24.799 1.00 72.51 C ATOM 1002 NH1 ARG A 412 -3.957 -1.420 25.686 1.00 13.10 N ATOM 1003 NH2 ARG A 412 -3.267 -3.582 25.215 1.00 24.12 N ATOM 0 H ARG A 412 -6.616 0.286 19.921 1.00 3.14 H new ATOM 0 HA ARG A 412 -4.992 -1.250 20.133 1.00 70.22 H new ATOM 0 HB2 ARG A 412 -7.078 -2.209 22.130 1.00 22.20 H new ATOM 0 HB3 ARG A 412 -5.446 -2.845 22.082 1.00 22.20 H new ATOM 0 HG2 ARG A 412 -5.835 0.153 22.185 1.00 11.50 H new ATOM 0 HG3 ARG A 412 -6.061 -0.776 23.654 1.00 11.50 H new ATOM 0 HD2 ARG A 412 -3.541 -0.691 21.928 1.00 31.30 H new ATOM 0 HD3 ARG A 412 -3.728 -0.018 23.535 1.00 31.30 H new ATOM 0 HE ARG A 412 -3.405 -2.889 22.838 1.00 43.44 H new ATOM 0 HH11 ARG A 412 -4.235 -0.496 25.356 1.00 13.10 H new ATOM 0 HH12 ARG A 412 -3.928 -1.617 26.686 1.00 13.10 H new ATOM 0 HH21 ARG A 412 -3.020 -4.304 24.538 1.00 24.12 H new ATOM 0 HH22 ARG A 412 -3.236 -3.787 26.214 1.00 24.12 H new ATOM 1016 N CYS A 413 -6.675 -2.792 18.348 1.00 20.34 N ATOM 1017 CA CYS A 413 -6.927 -3.934 17.485 1.00 3.31 C ATOM 1018 C CYS A 413 -5.980 -3.847 16.286 1.00 21.54 C ATOM 1019 O CYS A 413 -5.584 -2.756 15.881 1.00 1.20 O ATOM 1020 CB CYS A 413 -8.392 -4.002 17.051 1.00 33.21 C ATOM 1021 SG CYS A 413 -8.646 -5.424 15.928 1.00 75.32 S ATOM 0 H CYS A 413 -6.902 -1.887 17.935 1.00 20.34 H new ATOM 0 HA CYS A 413 -6.735 -4.857 18.032 1.00 3.31 H new ATOM 0 HB2 CYS A 413 -9.035 -4.099 17.926 1.00 33.21 H new ATOM 0 HB3 CYS A 413 -8.675 -3.077 16.549 1.00 33.21 H new ATOM 0 HG CYS A 413 -9.894 -5.474 15.567 1.00 75.32 H new ATOM 1027 N GLU A 414 -5.644 -5.013 15.753 1.00 54.11 N ATOM 1028 CA GLU A 414 -4.752 -5.083 14.609 1.00 45.23 C ATOM 1029 C GLU A 414 -5.291 -4.226 13.461 1.00 30.53 C ATOM 1030 O GLU A 414 -6.502 -4.071 13.315 1.00 53.24 O ATOM 1031 CB GLU A 414 -4.546 -6.531 14.162 1.00 65.42 C ATOM 1032 CG GLU A 414 -3.392 -6.638 13.162 1.00 74.02 C ATOM 1033 CD GLU A 414 -3.010 -8.100 12.919 1.00 13.44 C ATOM 1034 OE1 GLU A 414 -2.676 -8.819 13.872 1.00 32.33 O ATOM 1035 OE2 GLU A 414 -3.070 -8.482 11.689 1.00 55.02 O ATOM 0 H GLU A 414 -5.974 -5.916 16.093 1.00 54.11 H new ATOM 0 HA GLU A 414 -3.781 -4.687 14.906 1.00 45.23 H new ATOM 0 HB2 GLU A 414 -4.339 -7.157 15.030 1.00 65.42 H new ATOM 0 HB3 GLU A 414 -5.462 -6.909 13.708 1.00 65.42 H new ATOM 0 HG2 GLU A 414 -3.679 -6.172 12.219 1.00 74.02 H new ATOM 0 HG3 GLU A 414 -2.528 -6.090 13.539 1.00 74.02 H new ATOM 1043 N ILE A 415 -4.366 -3.694 12.677 1.00 5.41 N ATOM 1044 CA ILE A 415 -4.733 -2.857 11.547 1.00 30.13 C ATOM 1045 C ILE A 415 -4.493 -3.628 10.248 1.00 65.11 C ATOM 1046 O ILE A 415 -3.696 -4.564 10.216 1.00 64.51 O ATOM 1047 CB ILE A 415 -3.999 -1.516 11.612 1.00 64.50 C ATOM 1048 CG1 ILE A 415 -3.842 -1.046 13.060 1.00 72.25 C ATOM 1049 CG2 ILE A 415 -4.693 -0.468 10.741 1.00 73.14 C ATOM 1050 CD1 ILE A 415 -2.955 0.198 13.139 1.00 32.11 C ATOM 0 H ILE A 415 -3.362 -3.826 12.802 1.00 5.41 H new ATOM 0 HA ILE A 415 -5.795 -2.614 11.582 1.00 30.13 H new ATOM 0 HB ILE A 415 -2.996 -1.656 11.209 1.00 64.50 H new ATOM 0 HG12 ILE A 415 -4.822 -0.826 13.483 1.00 72.25 H new ATOM 0 HG13 ILE A 415 -3.408 -1.845 13.661 1.00 72.25 H new ATOM 0 HG21 ILE A 415 -4.151 0.475 10.805 1.00 73.14 H new ATOM 0 HG22 ILE A 415 -4.708 -0.808 9.705 1.00 73.14 H new ATOM 0 HG23 ILE A 415 -5.715 -0.324 11.090 1.00 73.14 H new ATOM 0 HD11 ILE A 415 -2.860 0.511 14.179 1.00 32.11 H new ATOM 0 HD12 ILE A 415 -1.968 -0.033 12.738 1.00 32.11 H new ATOM 0 HD13 ILE A 415 -3.404 1.003 12.557 1.00 32.11 H new ATOM 1062 N LYS A 416 -5.196 -3.206 9.208 1.00 52.32 N ATOM 1063 CA LYS A 416 -5.069 -3.845 7.909 1.00 52.20 C ATOM 1064 C LYS A 416 -4.752 -2.784 6.853 1.00 60.55 C ATOM 1065 O LYS A 416 -3.853 -2.969 6.033 1.00 11.34 O ATOM 1066 CB LYS A 416 -6.317 -4.672 7.595 1.00 72.14 C ATOM 1067 CG LYS A 416 -6.787 -5.445 8.828 1.00 34.52 C ATOM 1068 CD LYS A 416 -8.086 -6.202 8.539 1.00 4.12 C ATOM 1069 CE LYS A 416 -8.469 -7.102 9.715 1.00 22.42 C ATOM 1070 NZ LYS A 416 -7.275 -7.796 10.248 1.00 45.42 N ATOM 0 H LYS A 416 -5.856 -2.429 9.238 1.00 52.32 H new ATOM 0 HA LYS A 416 -4.239 -4.552 7.911 1.00 52.20 H new ATOM 0 HB2 LYS A 416 -7.115 -4.015 7.247 1.00 72.14 H new ATOM 0 HB3 LYS A 416 -6.102 -5.369 6.785 1.00 72.14 H new ATOM 0 HG2 LYS A 416 -6.014 -6.148 9.138 1.00 34.52 H new ATOM 0 HG3 LYS A 416 -6.941 -4.755 9.657 1.00 34.52 H new ATOM 0 HD2 LYS A 416 -8.889 -5.492 8.343 1.00 4.12 H new ATOM 0 HD3 LYS A 416 -7.967 -6.805 7.639 1.00 4.12 H new ATOM 0 HE2 LYS A 416 -8.931 -6.505 10.501 1.00 22.42 H new ATOM 0 HE3 LYS A 416 -9.209 -7.835 9.394 1.00 22.42 H new ATOM 0 HZ1 LYS A 416 -7.573 -8.630 10.793 1.00 45.42 H new ATOM 0 HZ2 LYS A 416 -6.667 -8.097 9.459 1.00 45.42 H new ATOM 0 HZ3 LYS A 416 -6.745 -7.149 10.867 1.00 45.42 H new ATOM 1083 N GLY A 417 -5.508 -1.698 6.906 1.00 42.44 N ATOM 1084 CA GLY A 417 -5.319 -0.608 5.963 1.00 5.35 C ATOM 1085 C GLY A 417 -4.670 0.599 6.644 1.00 2.33 C ATOM 1086 O GLY A 417 -5.156 1.073 7.670 1.00 3.30 O ATOM 0 H GLY A 417 -6.253 -1.549 7.587 1.00 42.44 H new ATOM 0 HA2 GLY A 417 -4.694 -0.943 5.135 1.00 5.35 H new ATOM 0 HA3 GLY A 417 -6.280 -0.318 5.539 1.00 5.35 H new ATOM 1090 N THR A 418 -3.582 1.062 6.046 1.00 61.21 N ATOM 1091 CA THR A 418 -2.862 2.204 6.582 1.00 44.43 C ATOM 1092 C THR A 418 -2.031 2.874 5.485 1.00 74.44 C ATOM 1093 O THR A 418 -1.130 2.257 4.920 1.00 63.52 O ATOM 1094 CB THR A 418 -2.025 1.722 7.768 1.00 64.30 C ATOM 1095 OG1 THR A 418 -1.389 0.541 7.287 1.00 64.14 O ATOM 1096 CG2 THR A 418 -2.887 1.232 8.933 1.00 75.33 C ATOM 0 H THR A 418 -3.182 0.667 5.195 1.00 61.21 H new ATOM 0 HA THR A 418 -3.549 2.971 6.941 1.00 44.43 H new ATOM 0 HB THR A 418 -1.380 2.532 8.109 1.00 64.30 H new ATOM 0 HG1 THR A 418 -1.089 0.683 6.365 1.00 64.14 H new ATOM 0 HG21 THR A 418 -2.243 0.901 9.748 1.00 75.33 H new ATOM 0 HG22 THR A 418 -3.525 2.045 9.281 1.00 75.33 H new ATOM 0 HG23 THR A 418 -3.508 0.400 8.601 1.00 75.33 H new ATOM 1104 N GLU A 419 -2.366 4.127 5.216 1.00 45.22 N ATOM 1105 CA GLU A 419 -1.662 4.887 4.196 1.00 12.04 C ATOM 1106 C GLU A 419 -1.528 6.350 4.623 1.00 3.21 C ATOM 1107 O GLU A 419 -2.373 6.868 5.351 1.00 2.33 O ATOM 1108 CB GLU A 419 -2.367 4.773 2.843 1.00 14.14 C ATOM 1109 CG GLU A 419 -3.807 5.283 2.931 1.00 73.01 C ATOM 1110 CD GLU A 419 -4.700 4.585 1.903 1.00 64.42 C ATOM 1111 OE1 GLU A 419 -4.198 4.081 0.887 1.00 41.12 O ATOM 1112 OE2 GLU A 419 -5.957 4.575 2.190 1.00 73.14 O ATOM 0 H GLU A 419 -3.115 4.635 5.686 1.00 45.22 H new ATOM 0 HA GLU A 419 -0.662 4.468 4.084 1.00 12.04 H new ATOM 0 HB2 GLU A 419 -1.820 5.346 2.094 1.00 14.14 H new ATOM 0 HB3 GLU A 419 -2.365 3.734 2.514 1.00 14.14 H new ATOM 0 HG2 GLU A 419 -4.197 5.110 3.934 1.00 73.01 H new ATOM 0 HG3 GLU A 419 -3.826 6.360 2.763 1.00 73.01 H new ATOM 1120 N PRO A 420 -0.431 6.992 4.139 1.00 65.41 N ATOM 1121 CA PRO A 420 -0.175 8.385 4.463 1.00 65.25 C ATOM 1122 C PRO A 420 -1.105 9.310 3.676 1.00 13.33 C ATOM 1123 O PRO A 420 -0.886 9.557 2.491 1.00 24.14 O ATOM 1124 CB PRO A 420 1.294 8.601 4.135 1.00 12.31 C ATOM 1125 CG PRO A 420 1.687 7.462 3.209 1.00 30.54 C ATOM 1126 CD PRO A 420 0.592 6.410 3.274 1.00 74.21 C ATOM 0 HA PRO A 420 -0.375 8.618 5.509 1.00 65.25 H new ATOM 0 HB2 PRO A 420 1.449 9.567 3.654 1.00 12.31 H new ATOM 0 HB3 PRO A 420 1.901 8.595 5.040 1.00 12.31 H new ATOM 0 HG2 PRO A 420 1.808 7.824 2.188 1.00 30.54 H new ATOM 0 HG3 PRO A 420 2.644 7.036 3.512 1.00 30.54 H new ATOM 0 HD2 PRO A 420 0.195 6.191 2.283 1.00 74.21 H new ATOM 0 HD3 PRO A 420 0.968 5.472 3.682 1.00 74.21 H new ATOM 1134 N ILE A 421 -2.125 9.798 4.368 1.00 71.43 N ATOM 1135 CA ILE A 421 -3.090 10.691 3.749 1.00 30.31 C ATOM 1136 C ILE A 421 -2.817 12.125 4.207 1.00 53.03 C ATOM 1137 O ILE A 421 -1.993 12.352 5.091 1.00 42.23 O ATOM 1138 CB ILE A 421 -4.517 10.216 4.031 1.00 41.00 C ATOM 1139 CG1 ILE A 421 -4.936 10.557 5.463 1.00 45.35 C ATOM 1140 CG2 ILE A 421 -4.668 8.723 3.730 1.00 3.51 C ATOM 1141 CD1 ILE A 421 -5.407 12.009 5.565 1.00 41.35 C ATOM 0 H ILE A 421 -2.304 9.592 5.351 1.00 71.43 H new ATOM 0 HA ILE A 421 -2.983 10.676 2.664 1.00 30.31 H new ATOM 0 HB ILE A 421 -5.192 10.749 3.362 1.00 41.00 H new ATOM 0 HG12 ILE A 421 -5.736 9.888 5.781 1.00 45.35 H new ATOM 0 HG13 ILE A 421 -4.097 10.395 6.140 1.00 45.35 H new ATOM 0 HG21 ILE A 421 -5.691 8.411 3.939 1.00 3.51 H new ATOM 0 HG22 ILE A 421 -4.440 8.539 2.680 1.00 3.51 H new ATOM 0 HG23 ILE A 421 -3.981 8.154 4.356 1.00 3.51 H new ATOM 0 HD11 ILE A 421 -5.699 12.225 6.593 1.00 41.35 H new ATOM 0 HD12 ILE A 421 -4.597 12.676 5.270 1.00 41.35 H new ATOM 0 HD13 ILE A 421 -6.261 12.162 4.905 1.00 41.35 H new ATOM 1153 N ILE A 422 -3.526 13.056 3.584 1.00 23.41 N ATOM 1154 CA ILE A 422 -3.370 14.462 3.916 1.00 34.43 C ATOM 1155 C ILE A 422 -4.750 15.084 4.140 1.00 72.24 C ATOM 1156 O ILE A 422 -5.556 15.165 3.213 1.00 4.34 O ATOM 1157 CB ILE A 422 -2.539 15.176 2.849 1.00 72.23 C ATOM 1158 CG1 ILE A 422 -1.065 14.779 2.945 1.00 23.24 C ATOM 1159 CG2 ILE A 422 -2.731 16.692 2.928 1.00 70.33 C ATOM 1160 CD1 ILE A 422 -0.480 15.169 4.304 1.00 2.03 C ATOM 0 H ILE A 422 -4.209 12.864 2.852 1.00 23.41 H new ATOM 0 HA ILE A 422 -2.814 14.574 4.847 1.00 34.43 H new ATOM 0 HB ILE A 422 -2.895 14.857 1.869 1.00 72.23 H new ATOM 0 HG12 ILE A 422 -0.964 13.704 2.796 1.00 23.24 H new ATOM 0 HG13 ILE A 422 -0.501 15.265 2.149 1.00 23.24 H new ATOM 0 HG21 ILE A 422 -2.129 17.176 2.159 1.00 70.33 H new ATOM 0 HG22 ILE A 422 -3.782 16.934 2.772 1.00 70.33 H new ATOM 0 HG23 ILE A 422 -2.419 17.048 3.910 1.00 70.33 H new ATOM 0 HD11 ILE A 422 0.569 14.876 4.346 1.00 2.03 H new ATOM 0 HD12 ILE A 422 -0.561 16.248 4.439 1.00 2.03 H new ATOM 0 HD13 ILE A 422 -1.031 14.662 5.096 1.00 2.03 H new ATOM 1172 N VAL A 423 -4.981 15.507 5.374 1.00 63.22 N ATOM 1173 CA VAL A 423 -6.249 16.119 5.730 1.00 12.25 C ATOM 1174 C VAL A 423 -6.207 17.609 5.384 1.00 63.10 C ATOM 1175 O VAL A 423 -5.179 18.262 5.561 1.00 74.13 O ATOM 1176 CB VAL A 423 -6.560 15.857 7.205 1.00 14.24 C ATOM 1177 CG1 VAL A 423 -7.986 16.292 7.551 1.00 50.14 C ATOM 1178 CG2 VAL A 423 -6.335 14.386 7.560 1.00 3.14 C ATOM 0 H VAL A 423 -4.311 15.438 6.140 1.00 63.22 H new ATOM 0 HA VAL A 423 -7.062 15.675 5.156 1.00 12.25 H new ATOM 0 HB VAL A 423 -5.873 16.455 7.803 1.00 14.24 H new ATOM 0 HG11 VAL A 423 -8.181 16.095 8.605 1.00 50.14 H new ATOM 0 HG12 VAL A 423 -8.099 17.358 7.354 1.00 50.14 H new ATOM 0 HG13 VAL A 423 -8.695 15.733 6.940 1.00 50.14 H new ATOM 0 HG21 VAL A 423 -6.563 14.227 8.614 1.00 3.14 H new ATOM 0 HG22 VAL A 423 -6.986 13.761 6.949 1.00 3.14 H new ATOM 0 HG23 VAL A 423 -5.295 14.121 7.370 1.00 3.14 H new ATOM 1188 N ASP A 424 -7.335 18.103 4.897 1.00 74.23 N ATOM 1189 CA ASP A 424 -7.440 19.503 4.524 1.00 50.32 C ATOM 1190 C ASP A 424 -8.674 20.114 5.192 1.00 60.54 C ATOM 1191 O ASP A 424 -9.703 19.453 5.325 1.00 23.30 O ATOM 1192 CB ASP A 424 -7.596 19.660 3.010 1.00 63.01 C ATOM 1193 CG ASP A 424 -6.292 19.577 2.214 1.00 43.32 C ATOM 1194 OD1 ASP A 424 -6.018 20.420 1.347 1.00 53.43 O ATOM 1195 OD2 ASP A 424 -5.529 18.582 2.518 1.00 12.45 O ATOM 0 H ASP A 424 -8.185 17.558 4.752 1.00 74.23 H new ATOM 0 HA ASP A 424 -6.529 20.007 4.847 1.00 50.32 H new ATOM 0 HB2 ASP A 424 -8.275 18.888 2.648 1.00 63.01 H new ATOM 0 HB3 ASP A 424 -8.068 20.621 2.806 1.00 63.01 H new ATOM 1201 N PRO A 425 -8.527 21.401 5.604 1.00 4.02 N ATOM 1202 CA PRO A 425 -9.617 22.108 6.255 1.00 64.11 C ATOM 1203 C PRO A 425 -10.686 22.519 5.241 1.00 73.20 C ATOM 1204 O PRO A 425 -10.510 22.335 4.038 1.00 64.53 O ATOM 1205 CB PRO A 425 -8.961 23.295 6.941 1.00 14.23 C ATOM 1206 CG PRO A 425 -7.609 23.471 6.270 1.00 72.15 C ATOM 1207 CD PRO A 425 -7.323 22.215 5.463 1.00 62.02 C ATOM 0 HA PRO A 425 -10.147 21.490 6.979 1.00 64.11 H new ATOM 0 HB2 PRO A 425 -9.570 24.193 6.834 1.00 14.23 H new ATOM 0 HB3 PRO A 425 -8.846 23.113 8.010 1.00 14.23 H new ATOM 0 HG2 PRO A 425 -7.615 24.348 5.622 1.00 72.15 H new ATOM 0 HG3 PRO A 425 -6.830 23.631 7.016 1.00 72.15 H new ATOM 0 HD2 PRO A 425 -7.126 22.452 4.418 1.00 62.02 H new ATOM 0 HD3 PRO A 425 -6.445 21.692 5.842 1.00 62.02 H new ATOM 1215 N PHE A 426 -11.772 23.068 5.765 1.00 53.15 N ATOM 1216 CA PHE A 426 -12.870 23.507 4.920 1.00 35.21 C ATOM 1217 C PHE A 426 -12.618 24.916 4.380 1.00 23.10 C ATOM 1218 O PHE A 426 -12.582 25.880 5.143 1.00 31.22 O ATOM 1219 CB PHE A 426 -14.126 23.526 5.794 1.00 73.03 C ATOM 1220 CG PHE A 426 -15.232 24.446 5.273 1.00 14.22 C ATOM 1221 CD1 PHE A 426 -16.063 24.020 4.284 1.00 24.51 C ATOM 1222 CD2 PHE A 426 -15.385 25.691 5.800 1.00 72.25 C ATOM 1223 CE1 PHE A 426 -17.089 24.874 3.801 1.00 30.40 C ATOM 1224 CE2 PHE A 426 -16.412 26.545 5.316 1.00 24.04 C ATOM 1225 CZ PHE A 426 -17.242 26.118 4.327 1.00 1.23 C ATOM 0 H PHE A 426 -11.915 23.219 6.764 1.00 53.15 H new ATOM 0 HA PHE A 426 -12.976 22.835 4.069 1.00 35.21 H new ATOM 0 HB2 PHE A 426 -14.518 22.512 5.872 1.00 73.03 H new ATOM 0 HB3 PHE A 426 -13.851 23.840 6.801 1.00 73.03 H new ATOM 0 HD1 PHE A 426 -15.942 23.032 3.866 1.00 24.51 H new ATOM 0 HD2 PHE A 426 -14.726 26.030 6.586 1.00 72.25 H new ATOM 0 HE1 PHE A 426 -17.748 24.535 3.015 1.00 30.40 H new ATOM 0 HE2 PHE A 426 -16.534 27.534 5.734 1.00 24.04 H new ATOM 0 HZ PHE A 426 -18.023 26.767 3.959 1.00 1.23 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 -0.210 13.562 18.513 1.00 41.14 ZN HETATM 1237 ZN ZN A1388 -8.740 2.252 15.415 1.00 2.30 ZN