USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 426 ASN :FLIP amide:sc= -0.0693 F(o=-1.4,f=-0.46) USER MOD Set 1.2: A 445 SER OG : rot 118:sc= -0.389 USER MOD Set 2.1: A 407 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 413 HIS : no HE2:sc= -0.0536 K(o=-0.054,f=-1.7) USER MOD Set 3.1: A 374 TYR OH : rot -70:sc= -0.534 USER MOD Set 3.2: A 384 GLN : amide:sc= 0.951 K(o=0.42,f=-3!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 168:sc= -0.0226 (180deg=-0.263) USER MOD Single : A 363 MET CE :methyl 140:sc= -0.0253 (180deg=-1.74) USER MOD Single : A 365 THR OG1 : rot -90:sc= 0 USER MOD Single : A 366 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -80:sc= 1.15 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 36:sc= 1.29 USER MOD Single : A 381 ASN :FLIP amide:sc= -0.757 F(o=-1.9!,f=-0.76) USER MOD Single : A 386 SER OG : rot 84:sc= 1.34 USER MOD Single : A 391 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -2.31! X(o=-2.3!,f=-2.1) USER MOD Single : A 398 ASN : amide:sc= 1 K(o=1,f=-0.28) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 TYR OH : rot -80:sc= -1.64 USER MOD Single : A 404 ASN :FLIP amide:sc= -0.0084 F(o=-1,f=-0.0084) USER MOD Single : A 406 GLN : amide:sc= 0.28 K(o=0.28,f=-4.6!) USER MOD Single : A 410 ASN : amide:sc= -2.15! C(o=-2.2!,f=-2!) USER MOD Single : A 415 SER OG : rot 180:sc= -0.0895 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 TYR OH : rot 72:sc= 0.037 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 154:sc= -0.39 (180deg=-2.61) USER MOD Single : A 444 LYS NZ :NH3+ -142:sc= 1 (180deg=-1.35!) USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 7.116 11.243 -1.797 1.00 5.43 N ATOM 2 CA TYR A 357 7.644 12.438 -1.134 1.00 2.40 C ATOM 3 C TYR A 357 8.325 12.016 0.166 1.00 75.32 C ATOM 4 O TYR A 357 9.523 11.807 0.206 1.00 45.53 O ATOM 5 CB TYR A 357 6.527 13.453 -0.822 1.00 61.14 C ATOM 6 CG TYR A 357 5.673 13.851 -2.001 1.00 21.42 C ATOM 7 CD1 TYR A 357 6.061 14.860 -2.865 1.00 72.32 C ATOM 8 CD2 TYR A 357 4.469 13.215 -2.241 1.00 0.21 C ATOM 9 CE1 TYR A 357 5.270 15.222 -3.937 1.00 73.20 C ATOM 10 CE2 TYR A 357 3.679 13.571 -3.305 1.00 13.43 C ATOM 11 CZ TYR A 357 4.078 14.570 -4.147 1.00 23.45 C ATOM 12 OH TYR A 357 3.282 14.914 -5.209 1.00 13.01 O ATOM 0 HA TYR A 357 8.356 12.921 -1.804 1.00 2.40 H new ATOM 0 HB2 TYR A 357 5.881 13.033 -0.051 1.00 61.14 H new ATOM 0 HB3 TYR A 357 6.981 14.351 -0.403 1.00 61.14 H new ATOM 0 HD1 TYR A 357 6.997 15.372 -2.698 1.00 72.32 H new ATOM 0 HD2 TYR A 357 4.145 12.425 -1.580 1.00 0.21 H new ATOM 0 HE1 TYR A 357 5.585 16.010 -4.605 1.00 73.20 H new ATOM 0 HE2 TYR A 357 2.742 13.062 -3.477 1.00 13.43 H new ATOM 0 HH TYR A 357 2.478 14.354 -5.210 1.00 13.01 H new ATOM 24 N ARG A 358 7.524 11.806 1.210 1.00 63.41 N ATOM 25 CA ARG A 358 8.026 11.400 2.535 1.00 34.15 C ATOM 26 C ARG A 358 8.102 9.875 2.641 1.00 71.42 C ATOM 27 O ARG A 358 7.876 9.298 3.686 1.00 33.21 O ATOM 28 CB ARG A 358 7.134 11.972 3.660 1.00 54.03 C ATOM 29 CG ARG A 358 7.346 13.460 4.015 1.00 24.22 C ATOM 30 CD ARG A 358 7.137 14.406 2.845 1.00 5.11 C ATOM 31 NE ARG A 358 7.258 15.807 3.251 1.00 74.04 N ATOM 32 CZ ARG A 358 7.466 16.844 2.418 1.00 30.20 C ATOM 33 NH1 ARG A 358 7.790 16.635 1.140 1.00 1.42 N ATOM 34 NH2 ARG A 358 7.401 18.080 2.881 1.00 61.43 N ATOM 0 H ARG A 358 6.510 11.911 1.168 1.00 63.41 H new ATOM 0 HA ARG A 358 9.031 11.806 2.653 1.00 34.15 H new ATOM 0 HB2 ARG A 358 6.092 11.835 3.373 1.00 54.03 H new ATOM 0 HB3 ARG A 358 7.297 11.379 4.560 1.00 54.03 H new ATOM 0 HG2 ARG A 358 6.661 13.733 4.818 1.00 24.22 H new ATOM 0 HG3 ARG A 358 8.357 13.591 4.400 1.00 24.22 H new ATOM 0 HD2 ARG A 358 7.868 14.189 2.067 1.00 5.11 H new ATOM 0 HD3 ARG A 358 6.151 14.237 2.412 1.00 5.11 H new ATOM 0 HE ARG A 358 7.178 16.015 4.246 1.00 74.04 H new ATOM 0 HH11 ARG A 358 7.882 15.683 0.786 1.00 1.42 H new ATOM 0 HH12 ARG A 358 7.945 17.428 0.517 1.00 1.42 H new ATOM 0 HH21 ARG A 358 7.194 18.245 3.866 1.00 61.43 H new ATOM 0 HH22 ARG A 358 7.558 18.869 2.253 1.00 61.43 H new ATOM 46 N ALA A 359 8.467 9.252 1.557 1.00 32.05 N ATOM 47 CA ALA A 359 8.616 7.827 1.488 1.00 33.51 C ATOM 48 C ALA A 359 9.736 7.531 0.527 1.00 31.15 C ATOM 49 O ALA A 359 9.965 8.319 -0.402 1.00 44.12 O ATOM 50 CB ALA A 359 7.320 7.172 1.025 1.00 34.11 C ATOM 0 H ALA A 359 8.673 9.730 0.680 1.00 32.05 H new ATOM 0 HA ALA A 359 8.848 7.423 2.473 1.00 33.51 H new ATOM 0 HB1 ALA A 359 7.455 6.091 0.979 1.00 34.11 H new ATOM 0 HB2 ALA A 359 6.521 7.409 1.728 1.00 34.11 H new ATOM 0 HB3 ALA A 359 7.056 7.547 0.036 1.00 34.11 H new ATOM 56 N ILE A 360 10.436 6.445 0.737 1.00 10.51 N ATOM 57 CA ILE A 360 11.535 6.068 -0.130 1.00 44.44 C ATOM 58 C ILE A 360 10.970 5.352 -1.345 1.00 62.34 C ATOM 59 O ILE A 360 10.362 4.302 -1.221 1.00 14.14 O ATOM 60 CB ILE A 360 12.557 5.149 0.600 1.00 24.21 C ATOM 61 CG1 ILE A 360 13.103 5.833 1.870 1.00 31.25 C ATOM 62 CG2 ILE A 360 13.703 4.759 -0.333 1.00 2.02 C ATOM 63 CD1 ILE A 360 13.819 7.151 1.619 1.00 13.20 C ATOM 0 H ILE A 360 10.266 5.798 1.507 1.00 10.51 H new ATOM 0 HA ILE A 360 12.068 6.970 -0.431 1.00 44.44 H new ATOM 0 HB ILE A 360 12.035 4.240 0.899 1.00 24.21 H new ATOM 0 HG12 ILE A 360 12.275 6.009 2.557 1.00 31.25 H new ATOM 0 HG13 ILE A 360 13.791 5.150 2.368 1.00 31.25 H new ATOM 0 HG21 ILE A 360 14.404 4.117 0.200 1.00 2.02 H new ATOM 0 HG22 ILE A 360 13.304 4.224 -1.195 1.00 2.02 H new ATOM 0 HG23 ILE A 360 14.219 5.658 -0.671 1.00 2.02 H new ATOM 0 HD11 ILE A 360 14.169 7.561 2.566 1.00 13.20 H new ATOM 0 HD12 ILE A 360 14.670 6.983 0.959 1.00 13.20 H new ATOM 0 HD13 ILE A 360 13.131 7.855 1.151 1.00 13.20 H new ATOM 70 N LYS A 361 11.165 5.931 -2.501 1.00 31.01 N ATOM 71 CA LYS A 361 10.579 5.412 -3.716 1.00 40.13 C ATOM 72 C LYS A 361 11.490 4.406 -4.418 1.00 62.51 C ATOM 73 O LYS A 361 12.703 4.406 -4.218 1.00 51.14 O ATOM 74 CB LYS A 361 10.219 6.556 -4.671 1.00 22.52 C ATOM 75 CG LYS A 361 11.407 7.415 -5.058 1.00 54.00 C ATOM 76 CD LYS A 361 11.028 8.519 -6.019 1.00 11.32 C ATOM 77 CE LYS A 361 12.239 9.372 -6.378 1.00 32.23 C ATOM 78 NZ LYS A 361 13.314 8.587 -7.029 1.00 4.33 N ATOM 0 H LYS A 361 11.730 6.770 -2.630 1.00 31.01 H new ATOM 0 HA LYS A 361 9.670 4.882 -3.430 1.00 40.13 H new ATOM 0 HB2 LYS A 361 9.773 6.139 -5.574 1.00 22.52 H new ATOM 0 HB3 LYS A 361 9.462 7.185 -4.203 1.00 22.52 H new ATOM 0 HG2 LYS A 361 11.844 7.852 -4.160 1.00 54.00 H new ATOM 0 HG3 LYS A 361 12.173 6.788 -5.513 1.00 54.00 H new ATOM 0 HD2 LYS A 361 10.602 8.087 -6.925 1.00 11.32 H new ATOM 0 HD3 LYS A 361 10.257 9.146 -5.572 1.00 11.32 H new ATOM 0 HE2 LYS A 361 11.928 10.177 -7.044 1.00 32.23 H new ATOM 0 HE3 LYS A 361 12.631 9.839 -5.474 1.00 32.23 H new ATOM 0 HZ1 LYS A 361 14.020 9.234 -7.434 1.00 4.33 H new ATOM 0 HZ2 LYS A 361 13.771 7.973 -6.325 1.00 4.33 H new ATOM 0 HZ3 LYS A 361 12.907 8.002 -7.786 1.00 4.33 H new ATOM 92 N GLY A 362 10.879 3.544 -5.223 1.00 71.31 N ATOM 93 CA GLY A 362 11.623 2.599 -6.037 1.00 31.01 C ATOM 94 C GLY A 362 11.823 1.244 -5.406 1.00 64.11 C ATOM 95 O GLY A 362 12.116 0.272 -6.104 1.00 31.04 O ATOM 0 H GLY A 362 9.866 3.483 -5.327 1.00 71.31 H new ATOM 0 HA2 GLY A 362 11.103 2.469 -6.986 1.00 31.01 H new ATOM 0 HA3 GLY A 362 12.600 3.026 -6.265 1.00 31.01 H new ATOM 99 N MET A 363 11.688 1.147 -4.104 1.00 64.11 N ATOM 100 CA MET A 363 11.872 -0.141 -3.472 1.00 74.12 C ATOM 101 C MET A 363 10.564 -0.875 -3.386 1.00 11.21 C ATOM 102 O MET A 363 9.484 -0.262 -3.413 1.00 74.33 O ATOM 103 CB MET A 363 12.495 -0.054 -2.067 1.00 43.00 C ATOM 104 CG MET A 363 11.623 0.618 -1.013 1.00 12.31 C ATOM 105 SD MET A 363 12.272 0.408 0.664 1.00 30.11 S ATOM 106 CE MET A 363 13.864 1.216 0.541 1.00 53.11 C ATOM 0 H MET A 363 11.459 1.918 -3.477 1.00 64.11 H new ATOM 0 HA MET A 363 12.575 -0.684 -4.104 1.00 74.12 H new ATOM 0 HB2 MET A 363 12.734 -1.063 -1.729 1.00 43.00 H new ATOM 0 HB3 MET A 363 13.437 0.490 -2.137 1.00 43.00 H new ATOM 0 HG2 MET A 363 11.543 1.682 -1.237 1.00 12.31 H new ATOM 0 HG3 MET A 363 10.615 0.205 -1.063 1.00 12.31 H new ATOM 0 HE1 MET A 363 14.054 1.786 1.451 1.00 53.11 H new ATOM 0 HE2 MET A 363 14.644 0.465 0.413 1.00 53.11 H new ATOM 0 HE3 MET A 363 13.865 1.890 -0.316 1.00 53.11 H new ATOM 116 N GLU A 364 10.657 -2.170 -3.301 1.00 44.31 N ATOM 117 CA GLU A 364 9.526 -3.003 -3.110 1.00 70.43 C ATOM 118 C GLU A 364 9.488 -3.463 -1.666 1.00 2.22 C ATOM 119 O GLU A 364 10.376 -4.180 -1.195 1.00 4.33 O ATOM 120 CB GLU A 364 9.493 -4.216 -4.094 1.00 32.12 C ATOM 121 CG GLU A 364 10.701 -5.166 -4.061 1.00 72.32 C ATOM 122 CD GLU A 364 11.970 -4.535 -4.574 1.00 75.30 C ATOM 123 OE1 GLU A 364 12.226 -4.607 -5.794 1.00 41.44 O ATOM 124 OE2 GLU A 364 12.725 -3.946 -3.766 1.00 33.41 O ATOM 0 H GLU A 364 11.540 -2.677 -3.365 1.00 44.31 H new ATOM 0 HA GLU A 364 8.633 -2.418 -3.333 1.00 70.43 H new ATOM 0 HB2 GLU A 364 8.596 -4.799 -3.885 1.00 32.12 H new ATOM 0 HB3 GLU A 364 9.392 -3.829 -5.108 1.00 32.12 H new ATOM 0 HG2 GLU A 364 10.860 -5.505 -3.037 1.00 72.32 H new ATOM 0 HG3 GLU A 364 10.476 -6.050 -4.658 1.00 72.32 H new ATOM 131 N THR A 365 8.516 -3.018 -0.960 1.00 64.31 N ATOM 132 CA THR A 365 8.340 -3.420 0.397 1.00 50.32 C ATOM 133 C THR A 365 7.342 -4.559 0.409 1.00 3.22 C ATOM 134 O THR A 365 6.251 -4.430 -0.145 1.00 24.11 O ATOM 135 CB THR A 365 7.833 -2.241 1.253 1.00 12.45 C ATOM 136 OG1 THR A 365 8.769 -1.152 1.174 1.00 23.45 O ATOM 137 CG2 THR A 365 7.651 -2.657 2.704 1.00 61.45 C ATOM 0 H THR A 365 7.814 -2.362 -1.302 1.00 64.31 H new ATOM 0 HA THR A 365 9.289 -3.743 0.824 1.00 50.32 H new ATOM 0 HB THR A 365 6.865 -1.925 0.865 1.00 12.45 H new ATOM 0 HG1 THR A 365 9.434 -1.240 1.889 1.00 23.45 H new ATOM 0 HG21 THR A 365 7.293 -1.807 3.284 1.00 61.45 H new ATOM 0 HG22 THR A 365 6.924 -3.467 2.762 1.00 61.45 H new ATOM 0 HG23 THR A 365 8.605 -2.996 3.108 1.00 61.45 H new ATOM 143 N LYS A 366 7.708 -5.667 1.000 1.00 21.24 N ATOM 144 CA LYS A 366 6.859 -6.824 0.983 1.00 4.11 C ATOM 145 C LYS A 366 6.890 -7.553 2.287 1.00 0.22 C ATOM 146 O LYS A 366 7.945 -7.673 2.915 1.00 50.44 O ATOM 147 CB LYS A 366 7.175 -7.718 -0.210 1.00 2.22 C ATOM 148 CG LYS A 366 8.610 -8.164 -0.330 1.00 73.12 C ATOM 149 CD LYS A 366 8.862 -8.744 -1.704 1.00 14.55 C ATOM 150 CE LYS A 366 8.016 -9.980 -2.001 1.00 52.20 C ATOM 151 NZ LYS A 366 8.344 -11.126 -1.116 1.00 44.42 N ATOM 0 H LYS A 366 8.589 -5.790 1.499 1.00 21.24 H new ATOM 0 HA LYS A 366 5.830 -6.487 0.855 1.00 4.11 H new ATOM 0 HB2 LYS A 366 6.542 -8.604 -0.155 1.00 2.22 H new ATOM 0 HB3 LYS A 366 6.901 -7.187 -1.122 1.00 2.22 H new ATOM 0 HG2 LYS A 366 9.277 -7.320 -0.155 1.00 73.12 H new ATOM 0 HG3 LYS A 366 8.832 -8.909 0.434 1.00 73.12 H new ATOM 0 HD2 LYS A 366 8.657 -7.982 -2.456 1.00 14.55 H new ATOM 0 HD3 LYS A 366 9.917 -9.004 -1.793 1.00 14.55 H new ATOM 0 HE2 LYS A 366 6.961 -9.729 -1.887 1.00 52.20 H new ATOM 0 HE3 LYS A 366 8.163 -10.275 -3.040 1.00 52.20 H new ATOM 0 HZ1 LYS A 366 7.790 -11.957 -1.405 1.00 44.42 H new ATOM 0 HZ2 LYS A 366 9.358 -11.343 -1.191 1.00 44.42 H new ATOM 0 HZ3 LYS A 366 8.114 -10.881 -0.132 1.00 44.42 H new ATOM 165 N ARG A 367 5.741 -8.032 2.701 1.00 4.12 N ATOM 166 CA ARG A 367 5.601 -8.639 4.000 1.00 42.53 C ATOM 167 C ARG A 367 4.351 -9.519 3.988 1.00 21.54 C ATOM 168 O ARG A 367 3.324 -9.131 3.420 1.00 22.21 O ATOM 169 CB ARG A 367 5.507 -7.463 5.011 1.00 40.21 C ATOM 170 CG ARG A 367 5.613 -7.763 6.499 1.00 74.45 C ATOM 171 CD ARG A 367 4.375 -8.320 7.138 1.00 33.43 C ATOM 172 NE ARG A 367 4.553 -8.360 8.597 1.00 20.04 N ATOM 173 CZ ARG A 367 3.723 -8.907 9.488 1.00 74.44 C ATOM 174 NH1 ARG A 367 2.719 -9.668 9.100 1.00 23.43 N ATOM 175 NH2 ARG A 367 3.946 -8.735 10.777 1.00 51.42 N ATOM 0 H ARG A 367 4.883 -8.012 2.150 1.00 4.12 H new ATOM 0 HA ARG A 367 6.436 -9.283 4.277 1.00 42.53 H new ATOM 0 HB2 ARG A 367 6.293 -6.750 4.762 1.00 40.21 H new ATOM 0 HB3 ARG A 367 4.555 -6.959 4.843 1.00 40.21 H new ATOM 0 HG2 ARG A 367 6.428 -8.470 6.652 1.00 74.45 H new ATOM 0 HG3 ARG A 367 5.886 -6.844 7.018 1.00 74.45 H new ATOM 0 HD2 ARG A 367 3.512 -7.704 6.883 1.00 33.43 H new ATOM 0 HD3 ARG A 367 4.175 -9.322 6.757 1.00 33.43 H new ATOM 0 HE ARG A 367 5.398 -7.925 8.967 1.00 20.04 H new ATOM 0 HH11 ARG A 367 2.568 -9.846 8.107 1.00 23.43 H new ATOM 0 HH12 ARG A 367 2.093 -10.079 9.793 1.00 23.43 H new ATOM 0 HH21 ARG A 367 4.748 -8.187 11.087 1.00 51.42 H new ATOM 0 HH22 ARG A 367 3.316 -9.150 11.463 1.00 51.42 H new ATOM 187 N GLU A 368 4.441 -10.690 4.587 1.00 74.03 N ATOM 188 CA GLU A 368 3.315 -11.630 4.612 1.00 63.52 C ATOM 189 C GLU A 368 2.356 -11.251 5.688 1.00 32.11 C ATOM 190 O GLU A 368 2.730 -11.129 6.846 1.00 13.10 O ATOM 191 CB GLU A 368 3.743 -13.104 4.813 1.00 21.32 C ATOM 192 CG GLU A 368 4.464 -13.771 3.643 1.00 73.24 C ATOM 193 CD GLU A 368 5.782 -13.151 3.298 1.00 74.52 C ATOM 194 OE1 GLU A 368 6.802 -13.489 3.949 1.00 21.14 O ATOM 195 OE2 GLU A 368 5.823 -12.325 2.374 1.00 75.20 O ATOM 0 H GLU A 368 5.278 -11.022 5.066 1.00 74.03 H new ATOM 0 HA GLU A 368 2.844 -11.563 3.631 1.00 63.52 H new ATOM 0 HB2 GLU A 368 4.392 -13.154 5.687 1.00 21.32 H new ATOM 0 HB3 GLU A 368 2.853 -13.689 5.043 1.00 21.32 H new ATOM 0 HG2 GLU A 368 4.622 -14.823 3.881 1.00 73.24 H new ATOM 0 HG3 GLU A 368 3.818 -13.736 2.766 1.00 73.24 H new ATOM 202 N ILE A 369 1.129 -11.040 5.325 1.00 40.52 N ATOM 203 CA ILE A 369 0.139 -10.660 6.269 1.00 41.14 C ATOM 204 C ILE A 369 -1.011 -11.592 6.092 1.00 45.31 C ATOM 205 O ILE A 369 -1.589 -11.656 5.027 1.00 22.21 O ATOM 206 CB ILE A 369 -0.297 -9.201 6.019 1.00 20.01 C ATOM 207 CG1 ILE A 369 0.946 -8.321 6.002 1.00 73.42 C ATOM 208 CG2 ILE A 369 -1.244 -8.736 7.121 1.00 73.13 C ATOM 209 CD1 ILE A 369 0.711 -6.911 5.603 1.00 22.44 C ATOM 0 H ILE A 369 0.791 -11.128 4.366 1.00 40.52 H new ATOM 0 HA ILE A 369 0.523 -10.717 7.288 1.00 41.14 H new ATOM 0 HB ILE A 369 -0.819 -9.132 5.065 1.00 20.01 H new ATOM 0 HG12 ILE A 369 1.394 -8.332 6.996 1.00 73.42 H new ATOM 0 HG13 ILE A 369 1.674 -8.759 5.319 1.00 73.42 H new ATOM 0 HG21 ILE A 369 -1.544 -7.705 6.932 1.00 73.13 H new ATOM 0 HG22 ILE A 369 -2.128 -9.374 7.135 1.00 73.13 H new ATOM 0 HG23 ILE A 369 -0.738 -8.796 8.085 1.00 73.13 H new ATOM 0 HD11 ILE A 369 1.655 -6.366 5.621 1.00 22.44 H new ATOM 0 HD12 ILE A 369 0.295 -6.882 4.596 1.00 22.44 H new ATOM 0 HD13 ILE A 369 0.011 -6.448 6.298 1.00 22.44 H new ATOM 216 N GLY A 370 -1.289 -12.371 7.105 1.00 64.05 N ATOM 217 CA GLY A 370 -2.359 -13.345 7.015 1.00 22.14 C ATOM 218 C GLY A 370 -2.052 -14.454 6.008 1.00 24.44 C ATOM 219 O GLY A 370 -2.937 -15.226 5.627 1.00 42.12 O ATOM 0 H GLY A 370 -0.797 -12.355 7.998 1.00 64.05 H new ATOM 0 HA2 GLY A 370 -2.529 -13.786 7.997 1.00 22.14 H new ATOM 0 HA3 GLY A 370 -3.282 -12.842 6.727 1.00 22.14 H new ATOM 223 N GLY A 371 -0.806 -14.527 5.573 1.00 22.13 N ATOM 224 CA GLY A 371 -0.400 -15.542 4.651 1.00 50.14 C ATOM 225 C GLY A 371 -0.072 -14.993 3.292 1.00 30.30 C ATOM 226 O GLY A 371 0.732 -15.569 2.553 1.00 11.14 O ATOM 0 H GLY A 371 -0.064 -13.886 5.853 1.00 22.13 H new ATOM 0 HA2 GLY A 371 0.472 -16.061 5.049 1.00 50.14 H new ATOM 0 HA3 GLY A 371 -1.195 -16.281 4.557 1.00 50.14 H new ATOM 230 N TYR A 372 -0.662 -13.880 2.960 1.00 64.40 N ATOM 231 CA TYR A 372 -0.456 -13.302 1.676 1.00 22.51 C ATOM 232 C TYR A 372 0.588 -12.207 1.738 1.00 54.04 C ATOM 233 O TYR A 372 0.602 -11.400 2.669 1.00 51.30 O ATOM 234 CB TYR A 372 -1.792 -12.814 1.076 1.00 53.25 C ATOM 235 CG TYR A 372 -2.615 -11.936 1.990 1.00 73.52 C ATOM 236 CD1 TYR A 372 -2.321 -10.610 2.145 1.00 34.33 C ATOM 237 CD2 TYR A 372 -3.697 -12.454 2.699 1.00 51.25 C ATOM 238 CE1 TYR A 372 -3.061 -9.811 2.968 1.00 44.20 C ATOM 239 CE2 TYR A 372 -4.451 -11.654 3.532 1.00 61.24 C ATOM 240 CZ TYR A 372 -4.124 -10.328 3.661 1.00 43.41 C ATOM 241 OH TYR A 372 -4.868 -9.508 4.485 1.00 30.22 O ATOM 0 H TYR A 372 -1.292 -13.357 3.569 1.00 64.40 H new ATOM 0 HA TYR A 372 -0.068 -14.068 1.005 1.00 22.51 H new ATOM 0 HB2 TYR A 372 -1.582 -12.264 0.159 1.00 53.25 H new ATOM 0 HB3 TYR A 372 -2.388 -13.683 0.797 1.00 53.25 H new ATOM 0 HD1 TYR A 372 -1.487 -10.186 1.606 1.00 34.33 H new ATOM 0 HD2 TYR A 372 -3.949 -13.499 2.595 1.00 51.25 H new ATOM 0 HE1 TYR A 372 -2.807 -8.766 3.073 1.00 44.20 H new ATOM 0 HE2 TYR A 372 -5.288 -12.066 4.076 1.00 61.24 H new ATOM 0 HH TYR A 372 -5.586 -10.028 4.902 1.00 30.22 H new ATOM 251 N THR A 373 1.465 -12.202 0.783 1.00 13.55 N ATOM 252 CA THR A 373 2.505 -11.224 0.720 1.00 44.40 C ATOM 253 C THR A 373 1.966 -9.921 0.165 1.00 52.54 C ATOM 254 O THR A 373 1.435 -9.878 -0.949 1.00 34.32 O ATOM 255 CB THR A 373 3.668 -11.706 -0.176 1.00 32.42 C ATOM 256 OG1 THR A 373 4.175 -12.965 0.305 1.00 55.23 O ATOM 257 CG2 THR A 373 4.800 -10.687 -0.197 1.00 24.12 C ATOM 0 H THR A 373 1.479 -12.880 0.021 1.00 13.55 H new ATOM 0 HA THR A 373 2.877 -11.071 1.733 1.00 44.40 H new ATOM 0 HB THR A 373 3.283 -11.826 -1.189 1.00 32.42 H new ATOM 0 HG1 THR A 373 4.770 -12.808 1.068 1.00 55.23 H new ATOM 0 HG21 THR A 373 5.605 -11.051 -0.835 1.00 24.12 H new ATOM 0 HG22 THR A 373 4.429 -9.739 -0.587 1.00 24.12 H new ATOM 0 HG23 THR A 373 5.177 -10.541 0.815 1.00 24.12 H new ATOM 263 N TYR A 374 2.063 -8.890 0.942 1.00 2.23 N ATOM 264 CA TYR A 374 1.734 -7.595 0.483 1.00 51.14 C ATOM 265 C TYR A 374 2.964 -6.960 -0.068 1.00 64.12 C ATOM 266 O TYR A 374 4.006 -7.027 0.554 1.00 3.42 O ATOM 267 CB TYR A 374 1.180 -6.752 1.598 1.00 45.04 C ATOM 268 CG TYR A 374 -0.241 -6.440 1.381 1.00 72.10 C ATOM 269 CD1 TYR A 374 -0.599 -5.530 0.409 1.00 70.24 C ATOM 270 CD2 TYR A 374 -1.232 -7.050 2.112 1.00 75.00 C ATOM 271 CE1 TYR A 374 -1.891 -5.227 0.166 1.00 31.24 C ATOM 272 CE2 TYR A 374 -2.560 -6.744 1.868 1.00 34.32 C ATOM 273 CZ TYR A 374 -2.881 -5.838 0.901 1.00 34.21 C ATOM 274 OH TYR A 374 -4.203 -5.549 0.665 1.00 43.11 O ATOM 0 H TYR A 374 2.374 -8.931 1.913 1.00 2.23 H new ATOM 0 HA TYR A 374 0.969 -7.673 -0.289 1.00 51.14 H new ATOM 0 HB2 TYR A 374 1.298 -7.277 2.546 1.00 45.04 H new ATOM 0 HB3 TYR A 374 1.750 -5.826 1.673 1.00 45.04 H new ATOM 0 HD1 TYR A 374 0.174 -5.048 -0.172 1.00 70.24 H new ATOM 0 HD2 TYR A 374 -0.975 -7.768 2.877 1.00 75.00 H new ATOM 0 HE1 TYR A 374 -2.147 -4.510 -0.600 1.00 31.24 H new ATOM 0 HE2 TYR A 374 -3.340 -7.222 2.442 1.00 34.32 H new ATOM 0 HH TYR A 374 -4.397 -4.636 0.965 1.00 43.11 H new ATOM 284 N LYS A 375 2.864 -6.367 -1.227 1.00 62.13 N ATOM 285 CA LYS A 375 4.024 -5.755 -1.829 1.00 32.32 C ATOM 286 C LYS A 375 3.673 -4.386 -2.324 1.00 2.45 C ATOM 287 O LYS A 375 2.739 -4.226 -3.090 1.00 5.24 O ATOM 288 CB LYS A 375 4.560 -6.574 -3.014 1.00 22.32 C ATOM 289 CG LYS A 375 5.931 -6.085 -3.501 1.00 22.02 C ATOM 290 CD LYS A 375 6.360 -6.761 -4.778 1.00 11.43 C ATOM 291 CE LYS A 375 5.543 -6.277 -5.964 1.00 24.21 C ATOM 292 NZ LYS A 375 5.931 -6.957 -7.213 1.00 61.04 N ATOM 0 H LYS A 375 2.004 -6.293 -1.770 1.00 62.13 H new ATOM 0 HA LYS A 375 4.797 -5.707 -1.062 1.00 32.32 H new ATOM 0 HB2 LYS A 375 4.635 -7.621 -2.722 1.00 22.32 H new ATOM 0 HB3 LYS A 375 3.847 -6.523 -3.837 1.00 22.32 H new ATOM 0 HG2 LYS A 375 5.895 -5.007 -3.658 1.00 22.02 H new ATOM 0 HG3 LYS A 375 6.676 -6.270 -2.727 1.00 22.02 H new ATOM 0 HD2 LYS A 375 7.417 -6.564 -4.958 1.00 11.43 H new ATOM 0 HD3 LYS A 375 6.250 -7.840 -4.675 1.00 11.43 H new ATOM 0 HE2 LYS A 375 4.484 -6.450 -5.770 1.00 24.21 H new ATOM 0 HE3 LYS A 375 5.674 -5.201 -6.080 1.00 24.21 H new ATOM 0 HZ1 LYS A 375 5.351 -6.599 -7.998 1.00 61.04 H new ATOM 0 HZ2 LYS A 375 6.935 -6.771 -7.412 1.00 61.04 H new ATOM 0 HZ3 LYS A 375 5.782 -7.981 -7.111 1.00 61.04 H new ATOM 306 N VAL A 376 4.408 -3.425 -1.903 1.00 74.34 N ATOM 307 CA VAL A 376 4.209 -2.072 -2.326 1.00 43.35 C ATOM 308 C VAL A 376 5.472 -1.551 -3.003 1.00 44.12 C ATOM 309 O VAL A 376 6.548 -1.511 -2.397 1.00 24.21 O ATOM 310 CB VAL A 376 3.776 -1.149 -1.121 1.00 34.54 C ATOM 311 CG1 VAL A 376 4.770 -1.212 0.004 1.00 40.53 C ATOM 312 CG2 VAL A 376 3.583 0.295 -1.557 1.00 22.24 C ATOM 0 H VAL A 376 5.178 -3.548 -1.246 1.00 74.34 H new ATOM 0 HA VAL A 376 3.394 -2.050 -3.049 1.00 43.35 H new ATOM 0 HB VAL A 376 2.819 -1.531 -0.765 1.00 34.54 H new ATOM 0 HG11 VAL A 376 4.441 -0.565 0.817 1.00 40.53 H new ATOM 0 HG12 VAL A 376 4.846 -2.238 0.365 1.00 40.53 H new ATOM 0 HG13 VAL A 376 5.745 -0.879 -0.353 1.00 40.53 H new ATOM 0 HG21 VAL A 376 3.285 0.898 -0.699 1.00 22.24 H new ATOM 0 HG22 VAL A 376 4.518 0.680 -1.964 1.00 22.24 H new ATOM 0 HG23 VAL A 376 2.807 0.344 -2.321 1.00 22.24 H new ATOM 318 N VAL A 377 5.374 -1.231 -4.274 1.00 54.33 N ATOM 319 CA VAL A 377 6.489 -0.624 -4.939 1.00 45.03 C ATOM 320 C VAL A 377 6.136 0.820 -5.159 1.00 2.55 C ATOM 321 O VAL A 377 5.200 1.136 -5.910 1.00 63.02 O ATOM 322 CB VAL A 377 6.816 -1.291 -6.291 1.00 25.34 C ATOM 323 CG1 VAL A 377 8.101 -0.710 -6.872 1.00 5.14 C ATOM 324 CG2 VAL A 377 6.929 -2.793 -6.134 1.00 53.41 C ATOM 0 H VAL A 377 4.548 -1.380 -4.853 1.00 54.33 H new ATOM 0 HA VAL A 377 7.378 -0.741 -4.319 1.00 45.03 H new ATOM 0 HB VAL A 377 6.000 -1.085 -6.984 1.00 25.34 H new ATOM 0 HG11 VAL A 377 8.319 -1.190 -7.826 1.00 5.14 H new ATOM 0 HG12 VAL A 377 7.979 0.362 -7.025 1.00 5.14 H new ATOM 0 HG13 VAL A 377 8.925 -0.886 -6.181 1.00 5.14 H new ATOM 0 HG21 VAL A 377 7.160 -3.243 -7.099 1.00 53.41 H new ATOM 0 HG22 VAL A 377 7.724 -3.026 -5.425 1.00 53.41 H new ATOM 0 HG23 VAL A 377 5.985 -3.192 -5.764 1.00 53.41 H new ATOM 330 N PHE A 378 6.887 1.676 -4.533 1.00 72.34 N ATOM 331 CA PHE A 378 6.608 3.099 -4.487 1.00 14.42 C ATOM 332 C PHE A 378 6.614 3.767 -5.852 1.00 61.33 C ATOM 333 O PHE A 378 7.547 3.592 -6.635 1.00 30.12 O ATOM 334 CB PHE A 378 7.559 3.785 -3.535 1.00 30.12 C ATOM 335 CG PHE A 378 7.396 3.357 -2.104 1.00 42.52 C ATOM 336 CD1 PHE A 378 8.072 2.249 -1.608 1.00 4.30 C ATOM 337 CD2 PHE A 378 6.568 4.063 -1.252 1.00 31.04 C ATOM 338 CE1 PHE A 378 7.923 1.862 -0.294 1.00 24.00 C ATOM 339 CE2 PHE A 378 6.417 3.680 0.065 1.00 54.44 C ATOM 340 CZ PHE A 378 7.095 2.580 0.543 1.00 21.04 C ATOM 0 H PHE A 378 7.731 1.409 -4.026 1.00 72.34 H new ATOM 0 HA PHE A 378 5.588 3.207 -4.117 1.00 14.42 H new ATOM 0 HB2 PHE A 378 8.583 3.584 -3.851 1.00 30.12 H new ATOM 0 HB3 PHE A 378 7.411 4.863 -3.602 1.00 30.12 H new ATOM 0 HD1 PHE A 378 8.722 1.684 -2.260 1.00 4.30 H new ATOM 0 HD2 PHE A 378 6.033 4.925 -1.622 1.00 31.04 H new ATOM 0 HE1 PHE A 378 8.453 0.998 0.079 1.00 24.00 H new ATOM 0 HE2 PHE A 378 5.768 4.242 0.720 1.00 54.44 H new ATOM 0 HZ PHE A 378 6.978 2.280 1.574 1.00 21.04 H new ATOM 350 N TYR A 379 5.539 4.543 -6.119 1.00 34.42 N ATOM 351 CA TYR A 379 5.318 5.245 -7.380 1.00 1.12 C ATOM 352 C TYR A 379 5.067 4.296 -8.553 1.00 22.42 C ATOM 353 O TYR A 379 5.060 4.706 -9.712 1.00 45.44 O ATOM 354 CB TYR A 379 6.400 6.315 -7.649 1.00 12.12 C ATOM 355 CG TYR A 379 6.275 7.517 -6.706 1.00 15.13 C ATOM 356 CD1 TYR A 379 6.649 7.436 -5.365 1.00 21.23 C ATOM 357 CD2 TYR A 379 5.739 8.718 -7.158 1.00 40.31 C ATOM 358 CE1 TYR A 379 6.498 8.517 -4.510 1.00 73.12 C ATOM 359 CE2 TYR A 379 5.583 9.800 -6.310 1.00 22.24 C ATOM 360 CZ TYR A 379 5.963 9.696 -4.991 1.00 11.21 C ATOM 361 OH TYR A 379 5.785 10.778 -4.136 1.00 62.32 O ATOM 0 H TYR A 379 4.792 4.694 -5.442 1.00 34.42 H new ATOM 0 HA TYR A 379 4.385 5.800 -7.275 1.00 1.12 H new ATOM 0 HB2 TYR A 379 7.387 5.867 -7.535 1.00 12.12 H new ATOM 0 HB3 TYR A 379 6.322 6.656 -8.681 1.00 12.12 H new ATOM 0 HD1 TYR A 379 7.064 6.514 -4.985 1.00 21.23 H new ATOM 0 HD2 TYR A 379 5.439 8.808 -8.191 1.00 40.31 H new ATOM 0 HE1 TYR A 379 6.797 8.438 -3.475 1.00 73.12 H new ATOM 0 HE2 TYR A 379 5.164 10.724 -6.682 1.00 22.24 H new ATOM 0 HH TYR A 379 6.521 10.808 -3.489 1.00 62.32 H new ATOM 371 N GLU A 380 4.789 3.031 -8.234 1.00 0.23 N ATOM 372 CA GLU A 380 4.491 2.035 -9.242 1.00 31.23 C ATOM 373 C GLU A 380 3.155 1.318 -9.014 1.00 2.01 C ATOM 374 O GLU A 380 2.122 1.714 -9.579 1.00 13.20 O ATOM 375 CB GLU A 380 5.642 1.037 -9.410 1.00 23.40 C ATOM 376 CG GLU A 380 6.873 1.645 -10.042 1.00 25.12 C ATOM 377 CD GLU A 380 8.031 0.693 -10.158 1.00 42.34 C ATOM 378 OE1 GLU A 380 7.953 -0.252 -10.967 1.00 53.24 O ATOM 379 OE2 GLU A 380 9.059 0.903 -9.475 1.00 73.24 O ATOM 0 H GLU A 380 4.766 2.679 -7.277 1.00 0.23 H new ATOM 0 HA GLU A 380 4.382 2.583 -10.178 1.00 31.23 H new ATOM 0 HB2 GLU A 380 5.906 0.630 -8.434 1.00 23.40 H new ATOM 0 HB3 GLU A 380 5.303 0.201 -10.022 1.00 23.40 H new ATOM 0 HG2 GLU A 380 6.616 2.012 -11.036 1.00 25.12 H new ATOM 0 HG3 GLU A 380 7.183 2.509 -9.454 1.00 25.12 H new ATOM 386 N ASN A 381 3.158 0.307 -8.154 1.00 61.30 N ATOM 387 CA ASN A 381 1.970 -0.540 -7.927 1.00 13.35 C ATOM 388 C ASN A 381 2.110 -1.447 -6.707 1.00 65.41 C ATOM 389 O ASN A 381 3.230 -1.779 -6.288 1.00 25.04 O ATOM 390 CB ASN A 381 1.581 -1.349 -9.200 1.00 52.43 C ATOM 391 CG ASN A 381 2.755 -2.038 -9.923 1.00 41.02 C ATOM 392 OD1 ASN A 381 3.797 -2.417 -9.209 1.00 73.50 O flip ATOM 393 ND2 ASN A 381 2.707 -2.224 -11.139 1.00 4.14 N flip ATOM 0 H ASN A 381 3.969 0.044 -7.595 1.00 61.30 H new ATOM 0 HA ASN A 381 1.150 0.145 -7.709 1.00 13.35 H new ATOM 0 HB2 ASN A 381 0.852 -2.109 -8.919 1.00 52.43 H new ATOM 0 HB3 ASN A 381 1.087 -0.677 -9.902 1.00 52.43 H new ATOM 0 HD21 ASN A 381 1.890 -1.922 -11.669 1.00 4.14 H new ATOM 0 HD22 ASN A 381 3.484 -2.680 -11.616 1.00 4.14 H new ATOM 399 N VAL A 382 0.964 -1.831 -6.148 1.00 71.13 N ATOM 400 CA VAL A 382 0.876 -2.682 -4.953 1.00 24.02 C ATOM 401 C VAL A 382 0.256 -4.018 -5.324 1.00 1.52 C ATOM 402 O VAL A 382 -0.599 -4.079 -6.206 1.00 1.12 O ATOM 403 CB VAL A 382 0.004 -2.011 -3.833 1.00 42.41 C ATOM 404 CG1 VAL A 382 -0.115 -2.885 -2.583 1.00 3.13 C ATOM 405 CG2 VAL A 382 0.574 -0.688 -3.455 1.00 63.11 C ATOM 0 H VAL A 382 0.053 -1.557 -6.516 1.00 71.13 H new ATOM 0 HA VAL A 382 1.886 -2.824 -4.569 1.00 24.02 H new ATOM 0 HB VAL A 382 -0.996 -1.883 -4.248 1.00 42.41 H new ATOM 0 HG11 VAL A 382 -0.728 -2.375 -1.840 1.00 3.13 H new ATOM 0 HG12 VAL A 382 -0.580 -3.835 -2.846 1.00 3.13 H new ATOM 0 HG13 VAL A 382 0.877 -3.068 -2.171 1.00 3.13 H new ATOM 0 HG21 VAL A 382 -0.042 -0.235 -2.678 1.00 63.11 H new ATOM 0 HG22 VAL A 382 1.589 -0.822 -3.082 1.00 63.11 H new ATOM 0 HG23 VAL A 382 0.592 -0.037 -4.329 1.00 63.11 H new ATOM 411 N PHE A 383 0.688 -5.066 -4.662 1.00 65.33 N ATOM 412 CA PHE A 383 0.219 -6.410 -4.907 1.00 0.41 C ATOM 413 C PHE A 383 -0.074 -7.137 -3.610 1.00 53.12 C ATOM 414 O PHE A 383 0.533 -6.859 -2.581 1.00 23.41 O ATOM 415 CB PHE A 383 1.262 -7.205 -5.719 1.00 22.32 C ATOM 416 CG PHE A 383 1.422 -6.726 -7.127 1.00 54.31 C ATOM 417 CD1 PHE A 383 2.243 -5.659 -7.417 1.00 21.33 C ATOM 418 CD2 PHE A 383 0.734 -7.335 -8.159 1.00 51.51 C ATOM 419 CE1 PHE A 383 2.379 -5.204 -8.699 1.00 73.11 C ATOM 420 CE2 PHE A 383 0.869 -6.886 -9.453 1.00 65.14 C ATOM 421 CZ PHE A 383 1.694 -5.813 -9.721 1.00 50.53 C ATOM 0 H PHE A 383 1.389 -5.007 -3.924 1.00 65.33 H new ATOM 0 HA PHE A 383 -0.706 -6.336 -5.479 1.00 0.41 H new ATOM 0 HB2 PHE A 383 2.225 -7.145 -5.213 1.00 22.32 H new ATOM 0 HB3 PHE A 383 0.974 -8.256 -5.733 1.00 22.32 H new ATOM 0 HD1 PHE A 383 2.787 -5.175 -6.620 1.00 21.33 H new ATOM 0 HD2 PHE A 383 0.084 -8.171 -7.948 1.00 51.51 H new ATOM 0 HE1 PHE A 383 3.026 -4.365 -8.908 1.00 73.11 H new ATOM 0 HE2 PHE A 383 0.332 -7.371 -10.255 1.00 65.14 H new ATOM 0 HZ PHE A 383 1.801 -5.453 -10.734 1.00 50.53 H new ATOM 431 N GLN A 384 -1.025 -8.025 -3.671 1.00 70.35 N ATOM 432 CA GLN A 384 -1.342 -8.917 -2.599 1.00 0.32 C ATOM 433 C GLN A 384 -1.247 -10.305 -3.167 1.00 73.02 C ATOM 434 O GLN A 384 -2.117 -10.713 -3.946 1.00 51.31 O ATOM 435 CB GLN A 384 -2.759 -8.694 -2.092 1.00 2.13 C ATOM 436 CG GLN A 384 -3.133 -9.557 -0.894 1.00 12.33 C ATOM 437 CD GLN A 384 -4.607 -9.509 -0.585 1.00 44.33 C ATOM 438 OE1 GLN A 384 -5.393 -10.307 -1.091 1.00 41.40 O ATOM 439 NE2 GLN A 384 -4.996 -8.587 0.220 1.00 22.41 N ATOM 0 H GLN A 384 -1.616 -8.150 -4.493 1.00 70.35 H new ATOM 0 HA GLN A 384 -0.662 -8.756 -1.763 1.00 0.32 H new ATOM 0 HB2 GLN A 384 -2.876 -7.645 -1.821 1.00 2.13 H new ATOM 0 HB3 GLN A 384 -3.459 -8.894 -2.903 1.00 2.13 H new ATOM 0 HG2 GLN A 384 -2.839 -10.589 -1.088 1.00 12.33 H new ATOM 0 HG3 GLN A 384 -2.571 -9.224 -0.021 1.00 12.33 H new ATOM 0 HE21 GLN A 384 -4.317 -7.941 0.622 1.00 22.41 H new ATOM 0 HE22 GLN A 384 -5.984 -8.501 0.457 1.00 22.41 H new ATOM 447 N ASP A 385 -0.187 -10.992 -2.827 1.00 52.33 N ATOM 448 CA ASP A 385 0.104 -12.353 -3.316 1.00 55.42 C ATOM 449 C ASP A 385 0.447 -12.336 -4.797 1.00 54.23 C ATOM 450 O ASP A 385 1.602 -12.206 -5.175 1.00 54.31 O ATOM 451 CB ASP A 385 -1.062 -13.325 -3.058 1.00 22.51 C ATOM 452 CG ASP A 385 -0.768 -14.748 -3.514 1.00 73.12 C ATOM 453 OD1 ASP A 385 -0.171 -15.525 -2.750 1.00 73.52 O ATOM 454 OD2 ASP A 385 -1.147 -15.104 -4.642 1.00 24.30 O ATOM 0 H ASP A 385 0.524 -10.631 -2.191 1.00 52.33 H new ATOM 0 HA ASP A 385 0.966 -12.711 -2.754 1.00 55.42 H new ATOM 0 HB2 ASP A 385 -1.292 -13.332 -1.993 1.00 22.51 H new ATOM 0 HB3 ASP A 385 -1.951 -12.961 -3.574 1.00 22.51 H new ATOM 459 N SER A 386 -0.569 -12.430 -5.615 1.00 43.04 N ATOM 460 CA SER A 386 -0.428 -12.402 -7.044 1.00 1.04 C ATOM 461 C SER A 386 -1.458 -11.444 -7.602 1.00 22.11 C ATOM 462 O SER A 386 -1.562 -11.237 -8.816 1.00 20.24 O ATOM 463 CB SER A 386 -0.667 -13.804 -7.606 1.00 44.12 C ATOM 464 OG SER A 386 0.170 -14.759 -6.956 1.00 33.12 O ATOM 0 H SER A 386 -1.534 -12.530 -5.299 1.00 43.04 H new ATOM 0 HA SER A 386 0.575 -12.077 -7.321 1.00 1.04 H new ATOM 0 HB2 SER A 386 -1.713 -14.080 -7.474 1.00 44.12 H new ATOM 0 HB3 SER A 386 -0.469 -13.810 -8.678 1.00 44.12 H new ATOM 0 HG SER A 386 -0.252 -15.049 -6.121 1.00 33.12 H new ATOM 470 N ILE A 387 -2.221 -10.864 -6.705 1.00 52.43 N ATOM 471 CA ILE A 387 -3.278 -9.957 -7.073 1.00 64.43 C ATOM 472 C ILE A 387 -2.768 -8.523 -7.086 1.00 52.34 C ATOM 473 O ILE A 387 -2.097 -8.094 -6.157 1.00 21.45 O ATOM 474 CB ILE A 387 -4.481 -10.089 -6.087 1.00 23.41 C ATOM 475 CG1 ILE A 387 -5.085 -11.503 -6.146 1.00 71.13 C ATOM 476 CG2 ILE A 387 -5.553 -9.033 -6.336 1.00 41.21 C ATOM 477 CD1 ILE A 387 -5.625 -11.901 -7.510 1.00 73.53 C ATOM 0 H ILE A 387 -2.125 -11.009 -5.700 1.00 52.43 H new ATOM 0 HA ILE A 387 -3.618 -10.217 -8.075 1.00 64.43 H new ATOM 0 HB ILE A 387 -4.090 -9.918 -5.084 1.00 23.41 H new ATOM 0 HG12 ILE A 387 -4.323 -12.223 -5.847 1.00 71.13 H new ATOM 0 HG13 ILE A 387 -5.892 -11.571 -5.416 1.00 71.13 H new ATOM 0 HG21 ILE A 387 -6.368 -9.167 -5.625 1.00 41.21 H new ATOM 0 HG22 ILE A 387 -5.122 -8.040 -6.210 1.00 41.21 H new ATOM 0 HG23 ILE A 387 -5.936 -9.136 -7.351 1.00 41.21 H new ATOM 0 HD11 ILE A 387 -6.031 -12.911 -7.460 1.00 73.53 H new ATOM 0 HD12 ILE A 387 -6.412 -11.208 -7.806 1.00 73.53 H new ATOM 0 HD13 ILE A 387 -4.819 -11.870 -8.244 1.00 73.53 H new ATOM 484 N LEU A 388 -3.090 -7.800 -8.133 1.00 11.33 N ATOM 485 CA LEU A 388 -2.744 -6.406 -8.235 1.00 3.02 C ATOM 486 C LEU A 388 -3.688 -5.647 -7.348 1.00 60.33 C ATOM 487 O LEU A 388 -4.886 -5.639 -7.565 1.00 24.42 O ATOM 488 CB LEU A 388 -2.891 -5.931 -9.692 1.00 11.41 C ATOM 489 CG LEU A 388 -2.674 -4.430 -9.958 1.00 61.53 C ATOM 490 CD1 LEU A 388 -1.266 -3.989 -9.608 1.00 23.12 C ATOM 491 CD2 LEU A 388 -3.016 -4.083 -11.397 1.00 22.33 C ATOM 0 H LEU A 388 -3.600 -8.164 -8.938 1.00 11.33 H new ATOM 0 HA LEU A 388 -1.711 -6.241 -7.930 1.00 3.02 H new ATOM 0 HB2 LEU A 388 -2.184 -6.490 -10.305 1.00 11.41 H new ATOM 0 HB3 LEU A 388 -3.891 -6.196 -10.037 1.00 11.41 H new ATOM 0 HG LEU A 388 -3.351 -3.881 -9.303 1.00 61.53 H new ATOM 0 HD11 LEU A 388 -1.157 -2.924 -9.811 1.00 23.12 H new ATOM 0 HD12 LEU A 388 -1.078 -4.178 -8.551 1.00 23.12 H new ATOM 0 HD13 LEU A 388 -0.549 -4.548 -10.210 1.00 23.12 H new ATOM 0 HD21 LEU A 388 -2.855 -3.018 -11.562 1.00 22.33 H new ATOM 0 HD22 LEU A 388 -2.378 -4.655 -12.071 1.00 22.33 H new ATOM 0 HD23 LEU A 388 -4.060 -4.327 -11.592 1.00 22.33 H new ATOM 499 N LEU A 389 -3.166 -5.055 -6.339 1.00 12.14 N ATOM 500 CA LEU A 389 -3.949 -4.397 -5.403 1.00 4.30 C ATOM 501 C LEU A 389 -4.355 -3.046 -5.964 1.00 52.32 C ATOM 502 O LEU A 389 -5.521 -2.803 -6.198 1.00 0.13 O ATOM 503 CB LEU A 389 -3.105 -4.256 -4.179 1.00 34.20 C ATOM 504 CG LEU A 389 -3.788 -4.115 -2.856 1.00 31.02 C ATOM 505 CD1 LEU A 389 -4.688 -2.902 -2.768 1.00 14.41 C ATOM 506 CD2 LEU A 389 -4.506 -5.386 -2.475 1.00 13.30 C ATOM 0 H LEU A 389 -2.164 -5.022 -6.151 1.00 12.14 H new ATOM 0 HA LEU A 389 -4.865 -4.938 -5.164 1.00 4.30 H new ATOM 0 HB2 LEU A 389 -2.452 -5.127 -4.124 1.00 34.20 H new ATOM 0 HB3 LEU A 389 -2.464 -3.385 -4.316 1.00 34.20 H new ATOM 0 HG LEU A 389 -3.002 -3.942 -2.121 1.00 31.02 H new ATOM 0 HD11 LEU A 389 -5.150 -2.863 -1.782 1.00 14.41 H new ATOM 0 HD12 LEU A 389 -4.099 -1.999 -2.929 1.00 14.41 H new ATOM 0 HD13 LEU A 389 -5.464 -2.969 -3.530 1.00 14.41 H new ATOM 0 HD21 LEU A 389 -4.993 -5.253 -1.509 1.00 13.30 H new ATOM 0 HD22 LEU A 389 -5.256 -5.621 -3.230 1.00 13.30 H new ATOM 0 HD23 LEU A 389 -3.788 -6.204 -2.410 1.00 13.30 H new ATOM 514 N GLY A 390 -3.401 -2.196 -6.209 1.00 64.04 N ATOM 515 CA GLY A 390 -3.731 -0.905 -6.707 1.00 11.04 C ATOM 516 C GLY A 390 -2.575 -0.244 -7.371 1.00 73.22 C ATOM 517 O GLY A 390 -1.413 -0.603 -7.121 1.00 33.02 O ATOM 0 H GLY A 390 -2.406 -2.374 -6.073 1.00 64.04 H new ATOM 0 HA2 GLY A 390 -4.554 -0.991 -7.416 1.00 11.04 H new ATOM 0 HA3 GLY A 390 -4.082 -0.280 -5.886 1.00 11.04 H new ATOM 521 N ASN A 391 -2.877 0.703 -8.209 1.00 64.20 N ATOM 522 CA ASN A 391 -1.878 1.480 -8.894 1.00 33.14 C ATOM 523 C ASN A 391 -1.803 2.819 -8.248 1.00 5.24 C ATOM 524 O ASN A 391 -2.822 3.359 -7.821 1.00 30.14 O ATOM 525 CB ASN A 391 -2.218 1.637 -10.377 1.00 12.44 C ATOM 526 CG ASN A 391 -2.182 0.330 -11.130 1.00 5.14 C ATOM 527 OD1 ASN A 391 -3.298 -0.354 -11.180 1.00 42.03 O flip ATOM 528 ND2 ASN A 391 -1.147 -0.060 -11.673 1.00 74.04 N flip ATOM 0 H ASN A 391 -3.835 0.964 -8.441 1.00 64.20 H new ATOM 0 HA ASN A 391 -0.918 0.968 -8.828 1.00 33.14 H new ATOM 0 HB2 ASN A 391 -3.210 2.078 -10.472 1.00 12.44 H new ATOM 0 HB3 ASN A 391 -1.515 2.333 -10.834 1.00 12.44 H new ATOM 0 HD21 ASN A 391 -0.297 0.500 -11.612 1.00 74.04 H new ATOM 0 HD22 ASN A 391 -1.140 -0.943 -12.183 1.00 74.04 H new ATOM 534 N PHE A 392 -0.628 3.347 -8.164 1.00 54.13 N ATOM 535 CA PHE A 392 -0.398 4.621 -7.518 1.00 24.34 C ATOM 536 C PHE A 392 -1.010 5.746 -8.323 1.00 72.44 C ATOM 537 O PHE A 392 -0.619 5.987 -9.465 1.00 42.33 O ATOM 538 CB PHE A 392 1.102 4.850 -7.310 1.00 65.55 C ATOM 539 CG PHE A 392 1.757 3.949 -6.279 1.00 2.11 C ATOM 540 CD1 PHE A 392 1.539 2.582 -6.261 1.00 43.13 C ATOM 541 CD2 PHE A 392 2.586 4.485 -5.321 1.00 62.50 C ATOM 542 CE1 PHE A 392 2.145 1.785 -5.320 1.00 24.35 C ATOM 543 CE2 PHE A 392 3.194 3.688 -4.380 1.00 12.24 C ATOM 544 CZ PHE A 392 2.977 2.340 -4.382 1.00 1.33 C ATOM 0 H PHE A 392 0.215 2.913 -8.541 1.00 54.13 H new ATOM 0 HA PHE A 392 -0.880 4.606 -6.541 1.00 24.34 H new ATOM 0 HB2 PHE A 392 1.610 4.712 -8.264 1.00 65.55 H new ATOM 0 HB3 PHE A 392 1.257 5.887 -7.013 1.00 65.55 H new ATOM 0 HD1 PHE A 392 0.885 2.137 -6.996 1.00 43.13 H new ATOM 0 HD2 PHE A 392 2.762 5.550 -5.308 1.00 62.50 H new ATOM 0 HE1 PHE A 392 1.966 0.720 -5.319 1.00 24.35 H new ATOM 0 HE2 PHE A 392 3.844 4.129 -3.638 1.00 12.24 H new ATOM 0 HZ PHE A 392 3.459 1.713 -3.647 1.00 1.33 H new ATOM 554 N ALA A 393 -1.977 6.414 -7.737 1.00 12.15 N ATOM 555 CA ALA A 393 -2.657 7.490 -8.411 1.00 5.55 C ATOM 556 C ALA A 393 -2.102 8.831 -7.986 1.00 70.00 C ATOM 557 O ALA A 393 -1.798 9.681 -8.828 1.00 42.10 O ATOM 558 CB ALA A 393 -4.155 7.421 -8.150 1.00 53.52 C ATOM 0 H ALA A 393 -2.310 6.228 -6.791 1.00 12.15 H new ATOM 0 HA ALA A 393 -2.488 7.380 -9.482 1.00 5.55 H new ATOM 0 HB1 ALA A 393 -4.653 8.242 -8.667 1.00 53.52 H new ATOM 0 HB2 ALA A 393 -4.545 6.471 -8.517 1.00 53.52 H new ATOM 0 HB3 ALA A 393 -4.342 7.500 -7.079 1.00 53.52 H new ATOM 564 N SER A 394 -1.954 9.012 -6.692 1.00 2.34 N ATOM 565 CA SER A 394 -1.472 10.252 -6.139 1.00 2.21 C ATOM 566 C SER A 394 -0.927 9.997 -4.744 1.00 22.02 C ATOM 567 O SER A 394 -1.389 9.074 -4.047 1.00 42.25 O ATOM 568 CB SER A 394 -2.636 11.278 -6.082 1.00 30.25 C ATOM 569 OG SER A 394 -2.234 12.529 -5.531 1.00 22.13 O ATOM 0 H SER A 394 -2.166 8.299 -5.994 1.00 2.34 H new ATOM 0 HA SER A 394 -0.676 10.655 -6.765 1.00 2.21 H new ATOM 0 HB2 SER A 394 -3.026 11.436 -7.087 1.00 30.25 H new ATOM 0 HB3 SER A 394 -3.450 10.866 -5.485 1.00 30.25 H new ATOM 0 HG SER A 394 -2.999 13.141 -5.517 1.00 22.13 H new ATOM 575 N GLN A 395 0.073 10.755 -4.357 1.00 34.01 N ATOM 576 CA GLN A 395 0.597 10.686 -3.019 1.00 12.05 C ATOM 577 C GLN A 395 0.521 12.068 -2.408 1.00 63.31 C ATOM 578 O GLN A 395 0.674 13.075 -3.109 1.00 1.33 O ATOM 579 CB GLN A 395 2.075 10.220 -2.945 1.00 42.40 C ATOM 580 CG GLN A 395 2.439 8.883 -3.606 1.00 1.11 C ATOM 581 CD GLN A 395 2.385 8.883 -5.115 1.00 53.15 C ATOM 582 OE1 GLN A 395 2.589 9.901 -5.755 1.00 21.23 O ATOM 583 NE2 GLN A 395 2.172 7.734 -5.684 1.00 70.00 N ATOM 0 H GLN A 395 0.542 11.432 -4.959 1.00 34.01 H new ATOM 0 HA GLN A 395 -0.003 9.949 -2.485 1.00 12.05 H new ATOM 0 HB2 GLN A 395 2.694 10.996 -3.396 1.00 42.40 H new ATOM 0 HB3 GLN A 395 2.355 10.161 -1.893 1.00 42.40 H new ATOM 0 HG2 GLN A 395 3.445 8.602 -3.293 1.00 1.11 H new ATOM 0 HG3 GLN A 395 1.762 8.114 -3.233 1.00 1.11 H new ATOM 0 HE21 GLN A 395 2.005 6.905 -5.113 1.00 70.00 H new ATOM 0 HE22 GLN A 395 2.172 7.661 -6.701 1.00 70.00 H new ATOM 591 N GLU A 396 0.280 12.120 -1.146 1.00 32.30 N ATOM 592 CA GLU A 396 0.270 13.349 -0.415 1.00 51.23 C ATOM 593 C GLU A 396 1.202 13.198 0.756 1.00 23.31 C ATOM 594 O GLU A 396 0.904 12.463 1.687 1.00 22.24 O ATOM 595 CB GLU A 396 -1.142 13.662 0.082 1.00 22.11 C ATOM 596 CG GLU A 396 -1.233 14.909 0.945 1.00 31.33 C ATOM 597 CD GLU A 396 -2.623 15.160 1.447 1.00 41.21 C ATOM 598 OE1 GLU A 396 -2.998 14.611 2.506 1.00 10.04 O ATOM 599 OE2 GLU A 396 -3.375 15.915 0.789 1.00 13.22 O ATOM 0 H GLU A 396 0.080 11.297 -0.577 1.00 32.30 H new ATOM 0 HA GLU A 396 0.592 14.168 -1.058 1.00 51.23 H new ATOM 0 HB2 GLU A 396 -1.801 13.780 -0.778 1.00 22.11 H new ATOM 0 HB3 GLU A 396 -1.512 12.810 0.653 1.00 22.11 H new ATOM 0 HG2 GLU A 396 -0.556 14.810 1.794 1.00 31.33 H new ATOM 0 HG3 GLU A 396 -0.897 15.771 0.369 1.00 31.33 H new ATOM 606 N GLY A 397 2.329 13.874 0.705 1.00 12.14 N ATOM 607 CA GLY A 397 3.297 13.815 1.774 1.00 72.11 C ATOM 608 C GLY A 397 3.799 12.407 2.050 1.00 23.23 C ATOM 609 O GLY A 397 4.663 11.867 1.321 1.00 14.44 O ATOM 0 H GLY A 397 2.597 14.476 -0.074 1.00 12.14 H new ATOM 0 HA2 GLY A 397 4.144 14.453 1.524 1.00 72.11 H new ATOM 0 HA3 GLY A 397 2.851 14.219 2.682 1.00 72.11 H new ATOM 613 N ASN A 398 3.257 11.825 3.092 1.00 52.00 N ATOM 614 CA ASN A 398 3.620 10.498 3.571 1.00 44.20 C ATOM 615 C ASN A 398 2.414 9.558 3.443 1.00 73.04 C ATOM 616 O ASN A 398 2.368 8.481 4.036 1.00 10.01 O ATOM 617 CB ASN A 398 4.051 10.614 5.047 1.00 43.40 C ATOM 618 CG ASN A 398 2.913 11.039 5.985 1.00 44.04 C ATOM 619 OD1 ASN A 398 2.635 12.230 6.151 1.00 32.35 O ATOM 620 ND2 ASN A 398 2.314 10.089 6.643 1.00 12.15 N ATOM 0 H ASN A 398 2.529 12.268 3.652 1.00 52.00 H new ATOM 0 HA ASN A 398 4.441 10.092 2.979 1.00 44.20 H new ATOM 0 HB2 ASN A 398 4.445 9.653 5.379 1.00 43.40 H new ATOM 0 HB3 ASN A 398 4.864 11.336 5.124 1.00 43.40 H new ATOM 0 HD21 ASN A 398 1.588 10.318 7.322 1.00 12.15 H new ATOM 0 HD22 ASN A 398 2.570 9.115 6.479 1.00 12.15 H new ATOM 626 N VAL A 399 1.458 9.971 2.647 1.00 1.04 N ATOM 627 CA VAL A 399 0.224 9.237 2.446 1.00 52.11 C ATOM 628 C VAL A 399 0.103 8.909 0.970 1.00 74.50 C ATOM 629 O VAL A 399 0.335 9.766 0.127 1.00 32.34 O ATOM 630 CB VAL A 399 -0.995 10.099 2.886 1.00 4.11 C ATOM 631 CG1 VAL A 399 -2.290 9.346 2.710 1.00 14.45 C ATOM 632 CG2 VAL A 399 -0.840 10.560 4.326 1.00 33.15 C ATOM 0 H VAL A 399 1.512 10.838 2.112 1.00 1.04 H new ATOM 0 HA VAL A 399 0.237 8.325 3.042 1.00 52.11 H new ATOM 0 HB VAL A 399 -1.026 10.979 2.243 1.00 4.11 H new ATOM 0 HG11 VAL A 399 -3.122 9.975 3.026 1.00 14.45 H new ATOM 0 HG12 VAL A 399 -2.415 9.078 1.661 1.00 14.45 H new ATOM 0 HG13 VAL A 399 -2.269 8.440 3.316 1.00 14.45 H new ATOM 0 HG21 VAL A 399 -1.704 11.161 4.611 1.00 33.15 H new ATOM 0 HG22 VAL A 399 -0.770 9.691 4.981 1.00 33.15 H new ATOM 0 HG23 VAL A 399 0.066 11.159 4.421 1.00 33.15 H new ATOM 638 N LEU A 400 -0.229 7.685 0.648 1.00 45.44 N ATOM 639 CA LEU A 400 -0.281 7.280 -0.736 1.00 72.45 C ATOM 640 C LEU A 400 -1.607 6.564 -1.067 1.00 74.04 C ATOM 641 O LEU A 400 -2.063 5.693 -0.319 1.00 35.22 O ATOM 642 CB LEU A 400 0.919 6.362 -1.104 1.00 74.35 C ATOM 643 CG LEU A 400 2.380 6.887 -0.919 1.00 63.22 C ATOM 644 CD1 LEU A 400 2.793 7.013 0.539 1.00 60.51 C ATOM 645 CD2 LEU A 400 3.367 6.012 -1.669 1.00 15.25 C ATOM 0 H LEU A 400 -0.466 6.955 1.319 1.00 45.44 H new ATOM 0 HA LEU A 400 -0.220 8.190 -1.333 1.00 72.45 H new ATOM 0 HB2 LEU A 400 0.824 5.450 -0.515 1.00 74.35 H new ATOM 0 HB3 LEU A 400 0.804 6.080 -2.151 1.00 74.35 H new ATOM 0 HG LEU A 400 2.395 7.893 -1.339 1.00 63.22 H new ATOM 0 HD11 LEU A 400 3.817 7.382 0.597 1.00 60.51 H new ATOM 0 HD12 LEU A 400 2.127 7.710 1.047 1.00 60.51 H new ATOM 0 HD13 LEU A 400 2.732 6.037 1.020 1.00 60.51 H new ATOM 0 HD21 LEU A 400 4.377 6.397 -1.525 1.00 15.25 H new ATOM 0 HD22 LEU A 400 3.310 4.992 -1.290 1.00 15.25 H new ATOM 0 HD23 LEU A 400 3.124 6.018 -2.732 1.00 15.25 H new ATOM 653 N LYS A 401 -2.215 6.941 -2.188 1.00 22.05 N ATOM 654 CA LYS A 401 -3.465 6.333 -2.667 1.00 31.51 C ATOM 655 C LYS A 401 -3.243 5.467 -3.879 1.00 72.11 C ATOM 656 O LYS A 401 -2.721 5.931 -4.913 1.00 2.35 O ATOM 657 CB LYS A 401 -4.521 7.396 -2.975 1.00 45.14 C ATOM 658 CG LYS A 401 -5.220 7.954 -1.756 1.00 22.20 C ATOM 659 CD LYS A 401 -6.196 6.934 -1.131 1.00 21.41 C ATOM 660 CE LYS A 401 -7.359 6.608 -2.078 1.00 55.12 C ATOM 661 NZ LYS A 401 -8.395 5.754 -1.439 1.00 51.42 N ATOM 0 H LYS A 401 -1.858 7.678 -2.796 1.00 22.05 H new ATOM 0 HA LYS A 401 -3.830 5.699 -1.859 1.00 31.51 H new ATOM 0 HB2 LYS A 401 -4.047 8.216 -3.514 1.00 45.14 H new ATOM 0 HB3 LYS A 401 -5.268 6.966 -3.642 1.00 45.14 H new ATOM 0 HG2 LYS A 401 -4.477 8.246 -1.014 1.00 22.20 H new ATOM 0 HG3 LYS A 401 -5.766 8.856 -2.032 1.00 22.20 H new ATOM 0 HD2 LYS A 401 -5.658 6.018 -0.887 1.00 21.41 H new ATOM 0 HD3 LYS A 401 -6.589 7.332 -0.196 1.00 21.41 H new ATOM 0 HE2 LYS A 401 -7.818 7.537 -2.417 1.00 55.12 H new ATOM 0 HE3 LYS A 401 -6.972 6.102 -2.962 1.00 55.12 H new ATOM 0 HZ1 LYS A 401 -9.157 5.564 -2.121 1.00 51.42 H new ATOM 0 HZ2 LYS A 401 -7.967 4.855 -1.138 1.00 51.42 H new ATOM 0 HZ3 LYS A 401 -8.787 6.245 -0.610 1.00 51.42 H new ATOM 675 N TYR A 402 -3.617 4.214 -3.760 1.00 41.21 N ATOM 676 CA TYR A 402 -3.481 3.278 -4.854 1.00 71.22 C ATOM 677 C TYR A 402 -4.860 2.795 -5.218 1.00 22.24 C ATOM 678 O TYR A 402 -5.612 2.383 -4.341 1.00 54.03 O ATOM 679 CB TYR A 402 -2.641 2.072 -4.444 1.00 1.55 C ATOM 680 CG TYR A 402 -1.548 2.392 -3.483 1.00 71.43 C ATOM 681 CD1 TYR A 402 -0.600 3.327 -3.776 1.00 71.44 C ATOM 682 CD2 TYR A 402 -1.469 1.743 -2.272 1.00 41.13 C ATOM 683 CE1 TYR A 402 0.394 3.613 -2.899 1.00 61.14 C ATOM 684 CE2 TYR A 402 -0.469 2.028 -1.391 1.00 42.35 C ATOM 685 CZ TYR A 402 0.461 2.962 -1.711 1.00 1.52 C ATOM 686 OH TYR A 402 1.476 3.254 -0.835 1.00 23.22 O ATOM 0 H TYR A 402 -4.020 3.817 -2.911 1.00 41.21 H new ATOM 0 HA TYR A 402 -2.990 3.774 -5.691 1.00 71.22 H new ATOM 0 HB2 TYR A 402 -3.294 1.322 -3.998 1.00 1.55 H new ATOM 0 HB3 TYR A 402 -2.206 1.625 -5.338 1.00 1.55 H new ATOM 0 HD1 TYR A 402 -0.641 3.848 -4.721 1.00 71.44 H new ATOM 0 HD2 TYR A 402 -2.209 0.999 -2.017 1.00 41.13 H new ATOM 0 HE1 TYR A 402 1.133 4.360 -3.147 1.00 61.14 H new ATOM 0 HE2 TYR A 402 -0.417 1.513 -0.443 1.00 42.35 H new ATOM 0 HH TYR A 402 2.291 2.786 -1.111 1.00 23.22 H new ATOM 696 N GLU A 403 -5.198 2.853 -6.467 1.00 74.40 N ATOM 697 CA GLU A 403 -6.515 2.466 -6.917 1.00 24.23 C ATOM 698 C GLU A 403 -6.475 1.857 -8.304 1.00 41.22 C ATOM 699 O GLU A 403 -5.400 1.791 -8.923 1.00 13.14 O ATOM 700 CB GLU A 403 -7.463 3.661 -6.823 1.00 71.32 C ATOM 701 CG GLU A 403 -6.907 4.931 -7.437 1.00 63.12 C ATOM 702 CD GLU A 403 -7.782 6.122 -7.187 1.00 73.14 C ATOM 703 OE1 GLU A 403 -7.926 6.525 -6.021 1.00 42.45 O ATOM 704 OE2 GLU A 403 -8.305 6.698 -8.157 1.00 1.22 O ATOM 0 H GLU A 403 -4.575 3.169 -7.211 1.00 74.40 H new ATOM 0 HA GLU A 403 -6.899 1.684 -6.262 1.00 24.23 H new ATOM 0 HB2 GLU A 403 -8.401 3.409 -7.318 1.00 71.32 H new ATOM 0 HB3 GLU A 403 -7.696 3.847 -5.775 1.00 71.32 H new ATOM 0 HG2 GLU A 403 -5.914 5.122 -7.030 1.00 63.12 H new ATOM 0 HG3 GLU A 403 -6.790 4.790 -8.511 1.00 63.12 H new ATOM 711 N ASN A 404 -7.633 1.376 -8.772 1.00 22.44 N ATOM 712 CA ASN A 404 -7.772 0.777 -10.109 1.00 44.30 C ATOM 713 C ASN A 404 -6.869 -0.439 -10.276 1.00 41.53 C ATOM 714 O ASN A 404 -6.290 -0.656 -11.340 1.00 3.33 O ATOM 715 CB ASN A 404 -7.505 1.817 -11.229 1.00 62.12 C ATOM 716 CG ASN A 404 -8.544 2.931 -11.309 1.00 53.34 C ATOM 717 OD1 ASN A 404 -9.782 2.629 -10.980 1.00 22.43 O flip ATOM 718 ND2 ASN A 404 -8.229 4.054 -11.689 1.00 54.21 N flip ATOM 0 H ASN A 404 -8.501 1.390 -8.236 1.00 22.44 H new ATOM 0 HA ASN A 404 -8.805 0.441 -10.202 1.00 44.30 H new ATOM 0 HB2 ASN A 404 -6.523 2.262 -11.069 1.00 62.12 H new ATOM 0 HB3 ASN A 404 -7.468 1.300 -12.188 1.00 62.12 H new ATOM 0 HD21 ASN A 404 -7.260 4.256 -11.937 1.00 54.21 H new ATOM 0 HD22 ASN A 404 -8.936 4.786 -11.757 1.00 54.21 H new ATOM 724 N GLY A 405 -6.761 -1.238 -9.225 1.00 32.53 N ATOM 725 CA GLY A 405 -5.984 -2.461 -9.300 1.00 72.24 C ATOM 726 C GLY A 405 -6.760 -3.592 -9.960 1.00 21.20 C ATOM 727 O GLY A 405 -7.463 -3.375 -10.945 1.00 52.45 O ATOM 0 H GLY A 405 -7.197 -1.062 -8.320 1.00 32.53 H new ATOM 0 HA2 GLY A 405 -5.068 -2.274 -9.861 1.00 72.24 H new ATOM 0 HA3 GLY A 405 -5.687 -2.763 -8.296 1.00 72.24 H new ATOM 731 N GLN A 406 -6.662 -4.777 -9.403 1.00 23.22 N ATOM 732 CA GLN A 406 -7.327 -5.954 -9.946 1.00 41.14 C ATOM 733 C GLN A 406 -8.828 -5.804 -9.806 1.00 21.21 C ATOM 734 O GLN A 406 -9.301 -5.141 -8.879 1.00 71.03 O ATOM 735 CB GLN A 406 -6.845 -7.220 -9.210 1.00 11.15 C ATOM 736 CG GLN A 406 -7.428 -8.529 -9.717 1.00 13.33 C ATOM 737 CD GLN A 406 -7.106 -8.777 -11.164 1.00 45.13 C ATOM 738 OE1 GLN A 406 -7.858 -8.378 -12.054 1.00 0.42 O ATOM 739 NE2 GLN A 406 -6.006 -9.424 -11.417 1.00 15.42 N ATOM 0 H GLN A 406 -6.119 -4.959 -8.559 1.00 23.22 H new ATOM 0 HA GLN A 406 -7.078 -6.050 -11.003 1.00 41.14 H new ATOM 0 HB2 GLN A 406 -5.759 -7.272 -9.285 1.00 11.15 H new ATOM 0 HB3 GLN A 406 -7.087 -7.119 -8.152 1.00 11.15 H new ATOM 0 HG2 GLN A 406 -7.043 -9.352 -9.116 1.00 13.33 H new ATOM 0 HG3 GLN A 406 -8.510 -8.517 -9.585 1.00 13.33 H new ATOM 0 HE21 GLN A 406 -5.411 -9.737 -10.650 1.00 15.42 H new ATOM 0 HE22 GLN A 406 -5.739 -9.618 -12.382 1.00 15.42 H new ATOM 747 N SER A 407 -9.563 -6.378 -10.732 1.00 31.01 N ATOM 748 CA SER A 407 -11.003 -6.341 -10.710 1.00 32.31 C ATOM 749 C SER A 407 -11.517 -7.006 -9.439 1.00 1.44 C ATOM 750 O SER A 407 -11.180 -8.151 -9.137 1.00 55.41 O ATOM 751 CB SER A 407 -11.547 -7.058 -11.940 1.00 52.11 C ATOM 752 OG SER A 407 -11.012 -6.486 -13.127 1.00 41.12 O ATOM 0 H SER A 407 -9.173 -6.886 -11.526 1.00 31.01 H new ATOM 0 HA SER A 407 -11.342 -5.305 -10.723 1.00 32.31 H new ATOM 0 HB2 SER A 407 -11.293 -8.117 -11.893 1.00 52.11 H new ATOM 0 HB3 SER A 407 -12.635 -6.992 -11.956 1.00 52.11 H new ATOM 0 HG SER A 407 -11.370 -6.958 -13.908 1.00 41.12 H new ATOM 758 N CYS A 408 -12.288 -6.277 -8.690 1.00 71.25 N ATOM 759 CA CYS A 408 -12.836 -6.776 -7.469 1.00 4.30 C ATOM 760 C CYS A 408 -14.260 -7.206 -7.761 1.00 50.31 C ATOM 761 O CYS A 408 -14.918 -6.593 -8.593 1.00 73.32 O ATOM 762 CB CYS A 408 -12.788 -5.675 -6.391 1.00 43.35 C ATOM 763 SG CYS A 408 -13.299 -6.194 -4.718 1.00 11.43 S ATOM 0 H CYS A 408 -12.554 -5.317 -8.910 1.00 71.25 H new ATOM 0 HA CYS A 408 -12.266 -7.624 -7.090 1.00 4.30 H new ATOM 0 HB2 CYS A 408 -11.771 -5.287 -6.338 1.00 43.35 H new ATOM 0 HB3 CYS A 408 -13.427 -4.851 -6.709 1.00 43.35 H new ATOM 768 N TRP A 409 -14.720 -8.254 -7.127 1.00 52.23 N ATOM 769 CA TRP A 409 -16.061 -8.756 -7.393 1.00 52.52 C ATOM 770 C TRP A 409 -17.075 -7.931 -6.605 1.00 72.30 C ATOM 771 O TRP A 409 -18.234 -7.768 -7.007 1.00 63.12 O ATOM 772 CB TRP A 409 -16.166 -10.256 -6.977 1.00 15.24 C ATOM 773 CG TRP A 409 -16.396 -10.492 -5.518 1.00 64.22 C ATOM 774 CD1 TRP A 409 -15.481 -10.658 -4.550 1.00 0.52 C ATOM 775 CD2 TRP A 409 -17.668 -10.576 -4.888 1.00 32.13 C ATOM 776 NE1 TRP A 409 -16.102 -10.838 -3.340 1.00 54.11 N ATOM 777 CE2 TRP A 409 -17.454 -10.788 -3.528 1.00 64.10 C ATOM 778 CE3 TRP A 409 -18.964 -10.479 -5.365 1.00 32.14 C ATOM 779 CZ2 TRP A 409 -18.499 -10.911 -2.623 1.00 74.20 C ATOM 780 CZ3 TRP A 409 -20.008 -10.599 -4.479 1.00 14.44 C ATOM 781 CH2 TRP A 409 -19.772 -10.813 -3.116 1.00 21.33 C ATOM 0 H TRP A 409 -14.197 -8.779 -6.426 1.00 52.23 H new ATOM 0 HA TRP A 409 -16.270 -8.672 -8.459 1.00 52.52 H new ATOM 0 HB2 TRP A 409 -16.980 -10.717 -7.537 1.00 15.24 H new ATOM 0 HB3 TRP A 409 -15.248 -10.765 -7.272 1.00 15.24 H new ATOM 0 HD1 TRP A 409 -14.412 -10.651 -4.702 1.00 0.52 H new ATOM 0 HE1 TRP A 409 -15.632 -10.985 -2.447 1.00 54.11 H new ATOM 0 HE3 TRP A 409 -19.152 -10.312 -6.415 1.00 32.14 H new ATOM 0 HZ2 TRP A 409 -18.315 -11.077 -1.572 1.00 74.20 H new ATOM 0 HZ3 TRP A 409 -21.024 -10.527 -4.839 1.00 14.44 H new ATOM 0 HH2 TRP A 409 -20.610 -10.902 -2.441 1.00 21.33 H new ATOM 792 N ASN A 410 -16.604 -7.387 -5.506 1.00 40.11 N ATOM 793 CA ASN A 410 -17.445 -6.740 -4.516 1.00 3.15 C ATOM 794 C ASN A 410 -17.399 -5.212 -4.728 1.00 32.41 C ATOM 795 O ASN A 410 -17.893 -4.436 -3.929 1.00 51.12 O ATOM 796 CB ASN A 410 -16.865 -7.124 -3.141 1.00 32.03 C ATOM 797 CG ASN A 410 -17.830 -7.032 -1.971 1.00 52.31 C ATOM 798 OD1 ASN A 410 -18.761 -6.236 -1.949 1.00 64.05 O ATOM 799 ND2 ASN A 410 -17.599 -7.866 -0.984 1.00 74.11 N ATOM 0 H ASN A 410 -15.612 -7.380 -5.268 1.00 40.11 H new ATOM 0 HA ASN A 410 -18.487 -7.052 -4.593 1.00 3.15 H new ATOM 0 HB2 ASN A 410 -16.488 -8.145 -3.198 1.00 32.03 H new ATOM 0 HB3 ASN A 410 -16.010 -6.480 -2.935 1.00 32.03 H new ATOM 0 HD21 ASN A 410 -18.205 -7.865 -0.163 1.00 74.11 H new ATOM 0 HD22 ASN A 410 -16.814 -8.515 -1.038 1.00 74.11 H new ATOM 805 N GLY A 411 -16.805 -4.820 -5.831 1.00 31.43 N ATOM 806 CA GLY A 411 -16.622 -3.427 -6.183 1.00 44.22 C ATOM 807 C GLY A 411 -16.161 -3.360 -7.609 1.00 23.10 C ATOM 808 O GLY A 411 -16.395 -4.311 -8.340 1.00 44.31 O ATOM 0 H GLY A 411 -16.428 -5.469 -6.522 1.00 31.43 H new ATOM 0 HA2 GLY A 411 -17.555 -2.878 -6.059 1.00 44.22 H new ATOM 0 HA3 GLY A 411 -15.889 -2.962 -5.524 1.00 44.22 H new ATOM 812 N PRO A 412 -15.517 -2.278 -8.079 1.00 24.52 N ATOM 813 CA PRO A 412 -15.015 -2.262 -9.435 1.00 22.11 C ATOM 814 C PRO A 412 -13.571 -2.818 -9.549 1.00 33.24 C ATOM 815 O PRO A 412 -13.276 -3.619 -10.433 1.00 35.24 O ATOM 816 CB PRO A 412 -15.053 -0.774 -9.811 1.00 60.21 C ATOM 817 CG PRO A 412 -15.115 -0.004 -8.511 1.00 63.55 C ATOM 818 CD PRO A 412 -15.296 -1.009 -7.379 1.00 41.41 C ATOM 0 HA PRO A 412 -15.608 -2.898 -10.092 1.00 22.11 H new ATOM 0 HB2 PRO A 412 -14.169 -0.496 -10.385 1.00 60.21 H new ATOM 0 HB3 PRO A 412 -15.920 -0.553 -10.434 1.00 60.21 H new ATOM 0 HG2 PRO A 412 -14.202 0.574 -8.366 1.00 63.55 H new ATOM 0 HG3 PRO A 412 -15.942 0.706 -8.527 1.00 63.55 H new ATOM 0 HD2 PRO A 412 -14.416 -1.053 -6.737 1.00 41.41 H new ATOM 0 HD3 PRO A 412 -16.142 -0.749 -6.743 1.00 41.41 H new ATOM 826 N HIS A 413 -12.705 -2.455 -8.613 1.00 71.13 N ATOM 827 CA HIS A 413 -11.300 -2.905 -8.576 1.00 60.40 C ATOM 828 C HIS A 413 -10.795 -2.756 -7.163 1.00 0.21 C ATOM 829 O HIS A 413 -11.493 -2.187 -6.319 1.00 10.01 O ATOM 830 CB HIS A 413 -10.356 -2.076 -9.517 1.00 72.31 C ATOM 831 CG HIS A 413 -10.646 -2.167 -10.989 1.00 12.35 C ATOM 832 ND1 HIS A 413 -10.124 -3.146 -11.798 1.00 61.52 N ATOM 833 CD2 HIS A 413 -11.436 -1.413 -11.787 1.00 13.41 C ATOM 834 CE1 HIS A 413 -10.586 -3.002 -13.011 1.00 24.24 C ATOM 835 NE2 HIS A 413 -11.380 -1.960 -13.035 1.00 11.23 N ATOM 0 H HIS A 413 -12.951 -1.832 -7.844 1.00 71.13 H new ATOM 0 HA HIS A 413 -11.283 -3.938 -8.923 1.00 60.40 H new ATOM 0 HB2 HIS A 413 -10.410 -1.028 -9.221 1.00 72.31 H new ATOM 0 HB3 HIS A 413 -9.330 -2.403 -9.348 1.00 72.31 H new ATOM 0 HD1 HIS A 413 -9.475 -3.874 -11.498 1.00 61.52 H new ATOM 0 HD2 HIS A 413 -12.004 -0.543 -11.492 1.00 13.41 H new ATOM 0 HE1 HIS A 413 -10.353 -3.636 -13.854 1.00 24.24 H new ATOM 844 N ARG A 414 -9.623 -3.265 -6.889 1.00 33.33 N ATOM 845 CA ARG A 414 -9.016 -3.077 -5.598 1.00 62.51 C ATOM 846 C ARG A 414 -8.314 -1.751 -5.507 1.00 24.43 C ATOM 847 O ARG A 414 -7.998 -1.113 -6.538 1.00 43.25 O ATOM 848 CB ARG A 414 -8.087 -4.218 -5.203 1.00 1.51 C ATOM 849 CG ARG A 414 -8.809 -5.490 -4.831 1.00 54.15 C ATOM 850 CD ARG A 414 -7.843 -6.624 -4.547 1.00 34.10 C ATOM 851 NE ARG A 414 -8.543 -7.900 -4.331 1.00 1.22 N ATOM 852 CZ ARG A 414 -8.189 -8.846 -3.442 1.00 64.31 C ATOM 853 NH1 ARG A 414 -7.156 -8.646 -2.618 1.00 74.54 N ATOM 854 NH2 ARG A 414 -8.873 -9.983 -3.378 1.00 34.34 N ATOM 0 H ARG A 414 -9.068 -3.815 -7.545 1.00 33.33 H new ATOM 0 HA ARG A 414 -9.834 -3.080 -4.877 1.00 62.51 H new ATOM 0 HB2 ARG A 414 -7.409 -4.425 -6.031 1.00 1.51 H new ATOM 0 HB3 ARG A 414 -7.474 -3.900 -4.360 1.00 1.51 H new ATOM 0 HG2 ARG A 414 -9.429 -5.312 -3.952 1.00 54.15 H new ATOM 0 HG3 ARG A 414 -9.479 -5.778 -5.641 1.00 54.15 H new ATOM 0 HD2 ARG A 414 -7.149 -6.727 -5.381 1.00 34.10 H new ATOM 0 HD3 ARG A 414 -7.248 -6.382 -3.666 1.00 34.10 H new ATOM 0 HE ARG A 414 -9.367 -8.083 -4.904 1.00 1.22 H new ATOM 0 HH11 ARG A 414 -6.631 -7.772 -2.661 1.00 74.54 H new ATOM 0 HH12 ARG A 414 -6.892 -9.367 -1.946 1.00 74.54 H new ATOM 0 HH21 ARG A 414 -9.665 -10.138 -4.002 1.00 34.34 H new ATOM 0 HH22 ARG A 414 -8.606 -10.701 -2.705 1.00 34.34 H new ATOM 866 N SER A 415 -8.088 -1.339 -4.294 1.00 5.54 N ATOM 867 CA SER A 415 -7.472 -0.095 -3.993 1.00 62.42 C ATOM 868 C SER A 415 -7.034 -0.094 -2.530 1.00 63.42 C ATOM 869 O SER A 415 -7.534 -0.897 -1.737 1.00 22.31 O ATOM 870 CB SER A 415 -8.470 1.025 -4.270 1.00 62.24 C ATOM 871 OG SER A 415 -9.705 0.749 -3.628 1.00 44.04 O ATOM 0 H SER A 415 -8.338 -1.881 -3.467 1.00 5.54 H new ATOM 0 HA SER A 415 -6.590 0.060 -4.614 1.00 62.42 H new ATOM 0 HB2 SER A 415 -8.071 1.975 -3.914 1.00 62.24 H new ATOM 0 HB3 SER A 415 -8.625 1.127 -5.344 1.00 62.24 H new ATOM 0 HG SER A 415 -10.338 1.474 -3.811 1.00 44.04 H new ATOM 877 N ALA A 416 -6.121 0.780 -2.176 1.00 42.51 N ATOM 878 CA ALA A 416 -5.633 0.866 -0.830 1.00 33.22 C ATOM 879 C ALA A 416 -5.053 2.226 -0.561 1.00 14.00 C ATOM 880 O ALA A 416 -4.537 2.891 -1.465 1.00 53.53 O ATOM 881 CB ALA A 416 -4.583 -0.201 -0.556 1.00 62.03 C ATOM 0 H ALA A 416 -5.698 1.450 -2.818 1.00 42.51 H new ATOM 0 HA ALA A 416 -6.479 0.700 -0.163 1.00 33.22 H new ATOM 0 HB1 ALA A 416 -4.232 -0.111 0.472 1.00 62.03 H new ATOM 0 HB2 ALA A 416 -5.020 -1.188 -0.705 1.00 62.03 H new ATOM 0 HB3 ALA A 416 -3.744 -0.069 -1.239 1.00 62.03 H new ATOM 887 N ILE A 417 -5.181 2.650 0.650 1.00 22.12 N ATOM 888 CA ILE A 417 -4.578 3.863 1.101 1.00 55.42 C ATOM 889 C ILE A 417 -3.479 3.499 2.113 1.00 55.51 C ATOM 890 O ILE A 417 -3.741 2.928 3.172 1.00 21.21 O ATOM 891 CB ILE A 417 -5.661 4.887 1.692 1.00 12.32 C ATOM 892 CG1 ILE A 417 -5.077 6.296 1.970 1.00 65.32 C ATOM 893 CG2 ILE A 417 -6.338 4.365 2.956 1.00 55.43 C ATOM 894 CD1 ILE A 417 -4.140 6.409 3.155 1.00 74.52 C ATOM 0 H ILE A 417 -5.715 2.158 1.367 1.00 22.12 H new ATOM 0 HA ILE A 417 -4.126 4.391 0.262 1.00 55.42 H new ATOM 0 HB ILE A 417 -6.410 4.976 0.905 1.00 12.32 H new ATOM 0 HG12 ILE A 417 -4.544 6.628 1.079 1.00 65.32 H new ATOM 0 HG13 ILE A 417 -5.906 6.987 2.122 1.00 65.32 H new ATOM 0 HG21 ILE A 417 -7.061 5.099 3.311 1.00 55.43 H new ATOM 0 HG22 ILE A 417 -6.851 3.429 2.734 1.00 55.43 H new ATOM 0 HG23 ILE A 417 -5.587 4.193 3.727 1.00 55.43 H new ATOM 0 HD11 ILE A 417 -3.796 7.439 3.250 1.00 74.52 H new ATOM 0 HD12 ILE A 417 -4.666 6.117 4.064 1.00 74.52 H new ATOM 0 HD13 ILE A 417 -3.283 5.753 3.005 1.00 74.52 H new ATOM 901 N VAL A 418 -2.266 3.774 1.755 1.00 33.32 N ATOM 902 CA VAL A 418 -1.146 3.543 2.626 1.00 4.30 C ATOM 903 C VAL A 418 -0.760 4.808 3.322 1.00 1.54 C ATOM 904 O VAL A 418 -0.609 5.858 2.702 1.00 35.14 O ATOM 905 CB VAL A 418 0.078 2.902 1.898 1.00 63.21 C ATOM 906 CG1 VAL A 418 1.358 3.152 2.654 1.00 53.05 C ATOM 907 CG2 VAL A 418 -0.105 1.408 1.803 1.00 71.54 C ATOM 0 H VAL A 418 -2.017 4.167 0.847 1.00 33.32 H new ATOM 0 HA VAL A 418 -1.468 2.813 3.368 1.00 4.30 H new ATOM 0 HB VAL A 418 0.139 3.355 0.909 1.00 63.21 H new ATOM 0 HG11 VAL A 418 2.191 2.693 2.121 1.00 53.05 H new ATOM 0 HG12 VAL A 418 1.528 4.225 2.737 1.00 53.05 H new ATOM 0 HG13 VAL A 418 1.282 2.718 3.651 1.00 53.05 H new ATOM 0 HG21 VAL A 418 0.753 0.968 1.294 1.00 71.54 H new ATOM 0 HG22 VAL A 418 -0.187 0.987 2.805 1.00 71.54 H new ATOM 0 HG23 VAL A 418 -1.013 1.188 1.241 1.00 71.54 H new ATOM 913 N THR A 419 -0.649 4.726 4.598 1.00 2.14 N ATOM 914 CA THR A 419 -0.242 5.827 5.372 1.00 43.55 C ATOM 915 C THR A 419 1.115 5.461 5.959 1.00 22.53 C ATOM 916 O THR A 419 1.221 4.516 6.749 1.00 52.34 O ATOM 917 CB THR A 419 -1.250 6.042 6.492 1.00 41.34 C ATOM 918 OG1 THR A 419 -2.544 5.700 5.977 1.00 72.40 O ATOM 919 CG2 THR A 419 -1.306 7.494 6.852 1.00 45.24 C ATOM 0 H THR A 419 -0.842 3.880 5.135 1.00 2.14 H new ATOM 0 HA THR A 419 -0.179 6.741 4.781 1.00 43.55 H new ATOM 0 HB THR A 419 -0.969 5.444 7.358 1.00 41.34 H new ATOM 0 HG1 THR A 419 -3.218 5.826 6.677 1.00 72.40 H new ATOM 0 HG21 THR A 419 -2.029 7.642 7.654 1.00 45.24 H new ATOM 0 HG22 THR A 419 -0.322 7.825 7.185 1.00 45.24 H new ATOM 0 HG23 THR A 419 -1.608 8.074 5.980 1.00 45.24 H new ATOM 925 N VAL A 420 2.134 6.164 5.560 1.00 71.52 N ATOM 926 CA VAL A 420 3.474 5.846 5.986 1.00 1.43 C ATOM 927 C VAL A 420 3.864 6.791 7.091 1.00 51.10 C ATOM 928 O VAL A 420 3.888 7.979 6.894 1.00 73.42 O ATOM 929 CB VAL A 420 4.488 6.001 4.816 1.00 42.34 C ATOM 930 CG1 VAL A 420 5.866 5.547 5.229 1.00 34.05 C ATOM 931 CG2 VAL A 420 4.032 5.251 3.578 1.00 15.42 C ATOM 0 H VAL A 420 2.066 6.968 4.936 1.00 71.52 H new ATOM 0 HA VAL A 420 3.494 4.811 6.328 1.00 1.43 H new ATOM 0 HB VAL A 420 4.534 7.061 4.567 1.00 42.34 H new ATOM 0 HG11 VAL A 420 6.554 5.666 4.392 1.00 34.05 H new ATOM 0 HG12 VAL A 420 6.210 6.148 6.071 1.00 34.05 H new ATOM 0 HG13 VAL A 420 5.831 4.498 5.523 1.00 34.05 H new ATOM 0 HG21 VAL A 420 4.765 5.382 2.782 1.00 15.42 H new ATOM 0 HG22 VAL A 420 3.935 4.190 3.810 1.00 15.42 H new ATOM 0 HG23 VAL A 420 3.068 5.641 3.251 1.00 15.42 H new ATOM 937 N GLU A 421 4.132 6.263 8.243 1.00 54.13 N ATOM 938 CA GLU A 421 4.512 7.072 9.375 1.00 21.10 C ATOM 939 C GLU A 421 5.987 6.871 9.700 1.00 23.12 C ATOM 940 O GLU A 421 6.698 6.174 8.983 1.00 14.25 O ATOM 941 CB GLU A 421 3.664 6.720 10.585 1.00 32.35 C ATOM 942 CG GLU A 421 2.177 6.915 10.396 1.00 41.05 C ATOM 943 CD GLU A 421 1.423 6.547 11.632 1.00 0.44 C ATOM 944 OE1 GLU A 421 1.271 5.343 11.901 1.00 23.22 O ATOM 945 OE2 GLU A 421 0.988 7.449 12.371 1.00 5.01 O ATOM 0 H GLU A 421 4.096 5.262 8.433 1.00 54.13 H new ATOM 0 HA GLU A 421 4.346 8.119 9.120 1.00 21.10 H new ATOM 0 HB2 GLU A 421 3.849 5.679 10.850 1.00 32.35 H new ATOM 0 HB3 GLU A 421 3.991 7.327 11.429 1.00 32.35 H new ATOM 0 HG2 GLU A 421 1.974 7.954 10.139 1.00 41.05 H new ATOM 0 HG3 GLU A 421 1.831 6.306 9.561 1.00 41.05 H new ATOM 952 N CYS A 422 6.422 7.473 10.771 1.00 1.13 N ATOM 953 CA CYS A 422 7.796 7.415 11.230 1.00 71.23 C ATOM 954 C CYS A 422 8.222 5.988 11.534 1.00 14.35 C ATOM 955 O CYS A 422 7.540 5.262 12.251 1.00 45.13 O ATOM 956 CB CYS A 422 7.942 8.277 12.490 1.00 55.11 C ATOM 957 SG CYS A 422 9.601 8.232 13.289 1.00 5.44 S ATOM 0 H CYS A 422 5.819 8.036 11.371 1.00 1.13 H new ATOM 0 HA CYS A 422 8.440 7.794 10.437 1.00 71.23 H new ATOM 0 HB2 CYS A 422 7.710 9.310 12.232 1.00 55.11 H new ATOM 0 HB3 CYS A 422 7.198 7.955 13.218 1.00 55.11 H new ATOM 962 N GLY A 423 9.340 5.594 10.984 1.00 50.33 N ATOM 963 CA GLY A 423 9.870 4.279 11.232 1.00 61.53 C ATOM 964 C GLY A 423 11.332 4.238 10.941 1.00 62.41 C ATOM 965 O GLY A 423 11.917 5.267 10.603 1.00 72.01 O ATOM 0 H GLY A 423 9.904 6.168 10.358 1.00 50.33 H new ATOM 0 HA2 GLY A 423 9.693 4.000 12.271 1.00 61.53 H new ATOM 0 HA3 GLY A 423 9.350 3.549 10.612 1.00 61.53 H new ATOM 969 N VAL A 424 11.931 3.082 11.079 1.00 41.21 N ATOM 970 CA VAL A 424 13.344 2.918 10.778 1.00 70.52 C ATOM 971 C VAL A 424 13.497 2.453 9.329 1.00 61.33 C ATOM 972 O VAL A 424 14.442 2.825 8.627 1.00 74.33 O ATOM 973 CB VAL A 424 14.013 1.896 11.739 1.00 22.31 C ATOM 974 CG1 VAL A 424 15.503 1.744 11.445 1.00 54.40 C ATOM 975 CG2 VAL A 424 13.798 2.309 13.189 1.00 10.12 C ATOM 0 H VAL A 424 11.466 2.233 11.399 1.00 41.21 H new ATOM 0 HA VAL A 424 13.843 3.877 10.916 1.00 70.52 H new ATOM 0 HB VAL A 424 13.541 0.928 11.574 1.00 22.31 H new ATOM 0 HG11 VAL A 424 15.938 1.022 12.136 1.00 54.40 H new ATOM 0 HG12 VAL A 424 15.638 1.394 10.422 1.00 54.40 H new ATOM 0 HG13 VAL A 424 15.998 2.707 11.567 1.00 54.40 H new ATOM 0 HG21 VAL A 424 14.273 1.583 13.848 1.00 10.12 H new ATOM 0 HG22 VAL A 424 14.237 3.292 13.356 1.00 10.12 H new ATOM 0 HG23 VAL A 424 12.730 2.348 13.402 1.00 10.12 H new ATOM 981 N GLU A 425 12.541 1.671 8.881 1.00 35.41 N ATOM 982 CA GLU A 425 12.544 1.149 7.538 1.00 31.44 C ATOM 983 C GLU A 425 11.129 0.978 7.076 1.00 42.42 C ATOM 984 O GLU A 425 10.195 0.986 7.882 1.00 24.01 O ATOM 985 CB GLU A 425 13.300 -0.194 7.487 1.00 71.34 C ATOM 986 CG GLU A 425 13.417 -0.803 6.098 1.00 45.45 C ATOM 987 CD GLU A 425 14.056 -2.164 6.110 1.00 71.24 C ATOM 988 OE1 GLU A 425 15.287 -2.253 6.009 1.00 72.10 O ATOM 989 OE2 GLU A 425 13.331 -3.171 6.214 1.00 4.11 O ATOM 0 H GLU A 425 11.739 1.380 9.440 1.00 35.41 H new ATOM 0 HA GLU A 425 13.056 1.847 6.876 1.00 31.44 H new ATOM 0 HB2 GLU A 425 14.302 -0.047 7.891 1.00 71.34 H new ATOM 0 HB3 GLU A 425 12.794 -0.905 8.140 1.00 71.34 H new ATOM 0 HG2 GLU A 425 12.424 -0.877 5.654 1.00 45.45 H new ATOM 0 HG3 GLU A 425 14.002 -0.138 5.463 1.00 45.45 H new ATOM 996 N ASN A 426 10.989 0.868 5.788 1.00 54.44 N ATOM 997 CA ASN A 426 9.747 0.654 5.145 1.00 45.10 C ATOM 998 C ASN A 426 9.212 -0.723 5.477 1.00 31.02 C ATOM 999 O ASN A 426 9.751 -1.741 5.048 1.00 63.32 O ATOM 1000 CB ASN A 426 9.907 0.859 3.648 1.00 32.34 C ATOM 1001 CG ASN A 426 10.321 2.276 3.324 1.00 12.34 C ATOM 1002 OD1 ASN A 426 9.370 3.122 3.236 1.00 63.34 O flip ATOM 1003 ND2 ASN A 426 11.494 2.606 3.229 1.00 14.12 N flip ATOM 0 H ASN A 426 11.774 0.929 5.140 1.00 54.44 H new ATOM 0 HA ASN A 426 9.016 1.377 5.507 1.00 45.10 H new ATOM 0 HB2 ASN A 426 10.653 0.164 3.262 1.00 32.34 H new ATOM 0 HB3 ASN A 426 8.967 0.630 3.146 1.00 32.34 H new ATOM 0 HD21 ASN A 426 12.229 1.903 3.304 1.00 14.12 H new ATOM 0 HD22 ASN A 426 11.738 3.584 3.074 1.00 14.12 H new ATOM 1009 N GLU A 427 8.193 -0.735 6.282 1.00 61.10 N ATOM 1010 CA GLU A 427 7.556 -1.947 6.754 1.00 32.43 C ATOM 1011 C GLU A 427 6.054 -1.831 6.581 1.00 51.14 C ATOM 1012 O GLU A 427 5.507 -0.723 6.661 1.00 14.30 O ATOM 1013 CB GLU A 427 7.891 -2.140 8.250 1.00 25.02 C ATOM 1014 CG GLU A 427 7.200 -3.325 8.916 1.00 44.13 C ATOM 1015 CD GLU A 427 7.581 -4.643 8.309 1.00 63.34 C ATOM 1016 OE1 GLU A 427 7.128 -4.954 7.193 1.00 73.11 O ATOM 1017 OE2 GLU A 427 8.359 -5.384 8.938 1.00 23.13 O ATOM 0 H GLU A 427 7.763 0.116 6.644 1.00 61.10 H new ATOM 0 HA GLU A 427 7.918 -2.801 6.182 1.00 32.43 H new ATOM 0 HB2 GLU A 427 8.969 -2.262 8.353 1.00 25.02 H new ATOM 0 HB3 GLU A 427 7.621 -1.231 8.788 1.00 25.02 H new ATOM 0 HG2 GLU A 427 7.449 -3.334 9.977 1.00 44.13 H new ATOM 0 HG3 GLU A 427 6.120 -3.196 8.843 1.00 44.13 H new ATOM 1024 N ILE A 428 5.395 -2.951 6.337 1.00 14.14 N ATOM 1025 CA ILE A 428 3.962 -2.980 6.251 1.00 3.40 C ATOM 1026 C ILE A 428 3.463 -3.289 7.650 1.00 3.42 C ATOM 1027 O ILE A 428 3.728 -4.369 8.189 1.00 75.10 O ATOM 1028 CB ILE A 428 3.436 -4.092 5.308 1.00 4.20 C ATOM 1029 CG1 ILE A 428 4.147 -4.065 3.949 1.00 63.13 C ATOM 1030 CG2 ILE A 428 1.936 -3.891 5.104 1.00 75.25 C ATOM 1031 CD1 ILE A 428 3.922 -2.799 3.162 1.00 65.43 C ATOM 0 H ILE A 428 5.844 -3.856 6.195 1.00 14.14 H new ATOM 0 HA ILE A 428 3.613 -2.026 5.855 1.00 3.40 H new ATOM 0 HB ILE A 428 3.636 -5.060 5.767 1.00 4.20 H new ATOM 0 HG12 ILE A 428 5.217 -4.196 4.108 1.00 63.13 H new ATOM 0 HG13 ILE A 428 3.807 -4.914 3.356 1.00 63.13 H new ATOM 0 HG21 ILE A 428 1.552 -4.667 4.442 1.00 75.25 H new ATOM 0 HG22 ILE A 428 1.427 -3.950 6.066 1.00 75.25 H new ATOM 0 HG23 ILE A 428 1.757 -2.912 4.658 1.00 75.25 H new ATOM 0 HD11 ILE A 428 4.458 -2.859 2.215 1.00 65.43 H new ATOM 0 HD12 ILE A 428 2.856 -2.675 2.969 1.00 65.43 H new ATOM 0 HD13 ILE A 428 4.289 -1.946 3.733 1.00 65.43 H new ATOM 1038 N VAL A 429 2.782 -2.371 8.233 1.00 14.30 N ATOM 1039 CA VAL A 429 2.317 -2.510 9.592 1.00 31.10 C ATOM 1040 C VAL A 429 1.049 -3.341 9.677 1.00 4.11 C ATOM 1041 O VAL A 429 0.970 -4.297 10.456 1.00 2.34 O ATOM 1042 CB VAL A 429 2.098 -1.117 10.239 1.00 42.42 C ATOM 1043 CG1 VAL A 429 1.395 -1.226 11.580 1.00 53.41 C ATOM 1044 CG2 VAL A 429 3.427 -0.404 10.399 1.00 14.31 C ATOM 0 H VAL A 429 2.522 -1.490 7.790 1.00 14.30 H new ATOM 0 HA VAL A 429 3.092 -3.039 10.147 1.00 31.10 H new ATOM 0 HB VAL A 429 1.455 -0.538 9.576 1.00 42.42 H new ATOM 0 HG11 VAL A 429 1.260 -0.230 12.002 1.00 53.41 H new ATOM 0 HG12 VAL A 429 0.422 -1.698 11.443 1.00 53.41 H new ATOM 0 HG13 VAL A 429 1.998 -1.829 12.259 1.00 53.41 H new ATOM 0 HG21 VAL A 429 3.263 0.573 10.854 1.00 14.31 H new ATOM 0 HG22 VAL A 429 4.083 -0.996 11.037 1.00 14.31 H new ATOM 0 HG23 VAL A 429 3.891 -0.276 9.421 1.00 14.31 H new ATOM 1050 N SER A 430 0.098 -3.021 8.861 1.00 74.22 N ATOM 1051 CA SER A 430 -1.179 -3.641 8.928 1.00 40.44 C ATOM 1052 C SER A 430 -1.958 -3.323 7.685 1.00 32.11 C ATOM 1053 O SER A 430 -1.598 -2.403 6.940 1.00 23.40 O ATOM 1054 CB SER A 430 -1.930 -3.140 10.178 1.00 72.10 C ATOM 1055 OG SER A 430 -1.996 -1.712 10.202 1.00 52.11 O ATOM 0 H SER A 430 0.188 -2.319 8.127 1.00 74.22 H new ATOM 0 HA SER A 430 -1.060 -4.722 9.000 1.00 40.44 H new ATOM 0 HB2 SER A 430 -2.938 -3.554 10.190 1.00 72.10 H new ATOM 0 HB3 SER A 430 -1.427 -3.499 11.076 1.00 72.10 H new ATOM 0 HG SER A 430 -2.479 -1.420 11.004 1.00 52.11 H new ATOM 1061 N VAL A 431 -2.992 -4.074 7.456 1.00 74.42 N ATOM 1062 CA VAL A 431 -3.862 -3.869 6.353 1.00 40.13 C ATOM 1063 C VAL A 431 -5.273 -4.130 6.806 1.00 12.44 C ATOM 1064 O VAL A 431 -5.649 -5.253 7.145 1.00 51.44 O ATOM 1065 CB VAL A 431 -3.464 -4.705 5.087 1.00 42.03 C ATOM 1066 CG1 VAL A 431 -3.274 -6.164 5.402 1.00 3.31 C ATOM 1067 CG2 VAL A 431 -4.495 -4.545 3.989 1.00 15.23 C ATOM 0 H VAL A 431 -3.255 -4.862 8.048 1.00 74.42 H new ATOM 0 HA VAL A 431 -3.775 -2.834 6.023 1.00 40.13 H new ATOM 0 HB VAL A 431 -2.507 -4.313 4.742 1.00 42.03 H new ATOM 0 HG11 VAL A 431 -3.000 -6.700 4.493 1.00 3.31 H new ATOM 0 HG12 VAL A 431 -2.482 -6.276 6.143 1.00 3.31 H new ATOM 0 HG13 VAL A 431 -4.203 -6.575 5.799 1.00 3.31 H new ATOM 0 HG21 VAL A 431 -4.197 -5.134 3.122 1.00 15.23 H new ATOM 0 HG22 VAL A 431 -5.465 -4.891 4.347 1.00 15.23 H new ATOM 0 HG23 VAL A 431 -4.566 -3.494 3.707 1.00 15.23 H new ATOM 1073 N LEU A 432 -6.024 -3.094 6.854 1.00 51.15 N ATOM 1074 CA LEU A 432 -7.353 -3.147 7.344 1.00 41.44 C ATOM 1075 C LEU A 432 -8.291 -2.942 6.192 1.00 70.34 C ATOM 1076 O LEU A 432 -8.054 -2.076 5.355 1.00 3.14 O ATOM 1077 CB LEU A 432 -7.556 -2.050 8.371 1.00 61.40 C ATOM 1078 CG LEU A 432 -8.823 -2.124 9.199 1.00 3.13 C ATOM 1079 CD1 LEU A 432 -8.802 -3.366 10.071 1.00 32.52 C ATOM 1080 CD2 LEU A 432 -8.970 -0.880 10.039 1.00 62.35 C ATOM 0 H LEU A 432 -5.729 -2.167 6.548 1.00 51.15 H new ATOM 0 HA LEU A 432 -7.545 -4.112 7.813 1.00 41.44 H new ATOM 0 HB2 LEU A 432 -6.704 -2.057 9.050 1.00 61.40 H new ATOM 0 HB3 LEU A 432 -7.543 -1.091 7.853 1.00 61.40 H new ATOM 0 HG LEU A 432 -9.682 -2.187 8.531 1.00 3.13 H new ATOM 0 HD11 LEU A 432 -9.716 -3.411 10.662 1.00 32.52 H new ATOM 0 HD12 LEU A 432 -8.734 -4.252 9.440 1.00 32.52 H new ATOM 0 HD13 LEU A 432 -7.940 -3.328 10.737 1.00 32.52 H new ATOM 0 HD21 LEU A 432 -9.884 -0.945 10.629 1.00 62.35 H new ATOM 0 HD22 LEU A 432 -8.113 -0.788 10.706 1.00 62.35 H new ATOM 0 HD23 LEU A 432 -9.019 -0.006 9.389 1.00 62.35 H new ATOM 1088 N GLU A 433 -9.328 -3.711 6.125 1.00 3.24 N ATOM 1089 CA GLU A 433 -10.254 -3.583 5.047 1.00 65.30 C ATOM 1090 C GLU A 433 -11.182 -2.415 5.376 1.00 72.22 C ATOM 1091 O GLU A 433 -11.967 -2.469 6.322 1.00 50.31 O ATOM 1092 CB GLU A 433 -11.012 -4.907 4.866 1.00 42.42 C ATOM 1093 CG GLU A 433 -11.928 -4.973 3.661 1.00 54.43 C ATOM 1094 CD GLU A 433 -12.553 -6.342 3.510 1.00 53.44 C ATOM 1095 OE1 GLU A 433 -11.934 -7.230 2.875 1.00 75.24 O ATOM 1096 OE2 GLU A 433 -13.661 -6.561 4.031 1.00 22.13 O ATOM 0 H GLU A 433 -9.556 -4.436 6.805 1.00 3.24 H new ATOM 0 HA GLU A 433 -9.753 -3.376 4.101 1.00 65.30 H new ATOM 0 HB2 GLU A 433 -10.284 -5.715 4.793 1.00 42.42 H new ATOM 0 HB3 GLU A 433 -11.605 -5.092 5.762 1.00 42.42 H new ATOM 0 HG2 GLU A 433 -12.713 -4.223 3.759 1.00 54.43 H new ATOM 0 HG3 GLU A 433 -11.364 -4.729 2.761 1.00 54.43 H new ATOM 1103 N ALA A 434 -11.035 -1.337 4.615 1.00 34.24 N ATOM 1104 CA ALA A 434 -11.755 -0.104 4.870 1.00 73.44 C ATOM 1105 C ALA A 434 -13.200 -0.262 4.502 1.00 64.11 C ATOM 1106 O ALA A 434 -14.098 0.178 5.217 1.00 74.32 O ATOM 1107 CB ALA A 434 -11.124 1.045 4.094 1.00 12.24 C ATOM 0 H ALA A 434 -10.414 -1.297 3.807 1.00 34.24 H new ATOM 0 HA ALA A 434 -11.694 0.126 5.934 1.00 73.44 H new ATOM 0 HB1 ALA A 434 -11.674 1.965 4.294 1.00 12.24 H new ATOM 0 HB2 ALA A 434 -10.087 1.168 4.405 1.00 12.24 H new ATOM 0 HB3 ALA A 434 -11.159 0.826 3.027 1.00 12.24 H new ATOM 1113 N GLN A 435 -13.421 -0.896 3.390 1.00 25.41 N ATOM 1114 CA GLN A 435 -14.746 -1.154 2.920 1.00 40.03 C ATOM 1115 C GLN A 435 -14.835 -2.606 2.512 1.00 62.42 C ATOM 1116 O GLN A 435 -15.324 -3.434 3.269 1.00 64.42 O ATOM 1117 CB GLN A 435 -15.122 -0.200 1.778 1.00 60.33 C ATOM 1118 CG GLN A 435 -15.081 1.275 2.181 1.00 41.32 C ATOM 1119 CD GLN A 435 -15.504 2.205 1.078 1.00 24.43 C ATOM 1120 OE1 GLN A 435 -16.677 2.523 0.949 1.00 64.21 O ATOM 1121 NE2 GLN A 435 -14.563 2.682 0.306 1.00 44.21 N ATOM 0 H GLN A 435 -12.683 -1.250 2.781 1.00 25.41 H new ATOM 0 HA GLN A 435 -15.469 -0.970 3.715 1.00 40.03 H new ATOM 0 HB2 GLN A 435 -14.441 -0.360 0.942 1.00 60.33 H new ATOM 0 HB3 GLN A 435 -16.124 -0.445 1.425 1.00 60.33 H new ATOM 0 HG2 GLN A 435 -15.730 1.427 3.044 1.00 41.32 H new ATOM 0 HG3 GLN A 435 -14.069 1.531 2.494 1.00 41.32 H new ATOM 0 HE21 GLN A 435 -13.595 2.393 0.444 1.00 44.21 H new ATOM 0 HE22 GLN A 435 -14.797 3.343 -0.435 1.00 44.21 H new ATOM 1129 N LYS A 436 -14.308 -2.914 1.344 1.00 52.42 N ATOM 1130 CA LYS A 436 -14.216 -4.286 0.886 1.00 11.21 C ATOM 1131 C LYS A 436 -13.125 -4.439 -0.157 1.00 51.04 C ATOM 1132 O LYS A 436 -12.254 -5.284 -0.039 1.00 70.53 O ATOM 1133 CB LYS A 436 -15.567 -4.894 0.400 1.00 23.54 C ATOM 1134 CG LYS A 436 -16.290 -4.214 -0.784 1.00 5.33 C ATOM 1135 CD LYS A 436 -16.981 -2.902 -0.424 1.00 13.52 C ATOM 1136 CE LYS A 436 -17.760 -2.371 -1.625 1.00 3.54 C ATOM 1137 NZ LYS A 436 -18.543 -1.155 -1.316 1.00 63.41 N ATOM 0 H LYS A 436 -13.934 -2.226 0.690 1.00 52.42 H new ATOM 0 HA LYS A 436 -13.945 -4.872 1.764 1.00 11.21 H new ATOM 0 HB2 LYS A 436 -15.385 -5.933 0.126 1.00 23.54 H new ATOM 0 HB3 LYS A 436 -16.252 -4.903 1.248 1.00 23.54 H new ATOM 0 HG2 LYS A 436 -15.566 -4.025 -1.577 1.00 5.33 H new ATOM 0 HG3 LYS A 436 -17.032 -4.904 -1.187 1.00 5.33 H new ATOM 0 HD2 LYS A 436 -17.656 -3.057 0.417 1.00 13.52 H new ATOM 0 HD3 LYS A 436 -16.241 -2.167 -0.107 1.00 13.52 H new ATOM 0 HE2 LYS A 436 -17.064 -2.152 -2.434 1.00 3.54 H new ATOM 0 HE3 LYS A 436 -18.434 -3.148 -1.986 1.00 3.54 H new ATOM 0 HZ1 LYS A 436 -19.049 -0.842 -2.169 1.00 63.41 H new ATOM 0 HZ2 LYS A 436 -19.229 -1.366 -0.564 1.00 63.41 H new ATOM 0 HZ3 LYS A 436 -17.902 -0.401 -0.998 1.00 63.41 H new ATOM 1151 N CYS A 437 -13.151 -3.591 -1.148 1.00 40.24 N ATOM 1152 CA CYS A 437 -12.166 -3.629 -2.225 1.00 1.12 C ATOM 1153 C CYS A 437 -11.119 -2.565 -1.999 1.00 55.43 C ATOM 1154 O CYS A 437 -10.224 -2.359 -2.807 1.00 52.43 O ATOM 1155 CB CYS A 437 -12.850 -3.379 -3.550 1.00 30.30 C ATOM 1156 SG CYS A 437 -14.200 -4.547 -3.935 1.00 53.43 S ATOM 0 H CYS A 437 -13.848 -2.852 -1.244 1.00 40.24 H new ATOM 0 HA CYS A 437 -11.691 -4.610 -2.237 1.00 1.12 H new ATOM 0 HB2 CYS A 437 -13.251 -2.366 -3.552 1.00 30.30 H new ATOM 0 HB3 CYS A 437 -12.105 -3.429 -4.344 1.00 30.30 H new ATOM 1161 N GLU A 438 -11.238 -1.913 -0.895 1.00 3.24 N ATOM 1162 CA GLU A 438 -10.368 -0.856 -0.522 1.00 63.13 C ATOM 1163 C GLU A 438 -9.870 -1.104 0.864 1.00 62.53 C ATOM 1164 O GLU A 438 -10.655 -1.416 1.778 1.00 15.31 O ATOM 1165 CB GLU A 438 -11.057 0.497 -0.650 1.00 31.12 C ATOM 1166 CG GLU A 438 -10.257 1.653 -0.063 1.00 22.25 C ATOM 1167 CD GLU A 438 -10.915 2.988 -0.245 1.00 40.35 C ATOM 1168 OE1 GLU A 438 -11.810 3.330 0.555 1.00 64.30 O ATOM 1169 OE2 GLU A 438 -10.531 3.728 -1.170 1.00 11.44 O ATOM 0 H GLU A 438 -11.966 -2.108 -0.207 1.00 3.24 H new ATOM 0 HA GLU A 438 -9.515 -0.829 -1.200 1.00 63.13 H new ATOM 0 HB2 GLU A 438 -11.249 0.698 -1.704 1.00 31.12 H new ATOM 0 HB3 GLU A 438 -12.026 0.449 -0.153 1.00 31.12 H new ATOM 0 HG2 GLU A 438 -10.103 1.475 1.001 1.00 22.25 H new ATOM 0 HG3 GLU A 438 -9.272 1.676 -0.528 1.00 22.25 H new ATOM 1176 N TYR A 439 -8.589 -0.997 1.017 1.00 24.01 N ATOM 1177 CA TYR A 439 -7.930 -1.316 2.247 1.00 62.34 C ATOM 1178 C TYR A 439 -7.139 -0.126 2.735 1.00 74.53 C ATOM 1179 O TYR A 439 -6.702 0.701 1.941 1.00 20.44 O ATOM 1180 CB TYR A 439 -6.979 -2.488 1.990 1.00 61.20 C ATOM 1181 CG TYR A 439 -7.646 -3.634 1.270 1.00 51.22 C ATOM 1182 CD1 TYR A 439 -8.359 -4.586 1.960 1.00 53.04 C ATOM 1183 CD2 TYR A 439 -7.582 -3.738 -0.120 1.00 3.53 C ATOM 1184 CE1 TYR A 439 -8.989 -5.614 1.298 1.00 1.13 C ATOM 1185 CE2 TYR A 439 -8.204 -4.759 -0.782 1.00 53.42 C ATOM 1186 CZ TYR A 439 -8.908 -5.696 -0.073 1.00 12.00 C ATOM 1187 OH TYR A 439 -9.525 -6.727 -0.733 1.00 73.24 O ATOM 0 H TYR A 439 -7.959 -0.680 0.280 1.00 24.01 H new ATOM 0 HA TYR A 439 -8.667 -1.580 3.005 1.00 62.34 H new ATOM 0 HB2 TYR A 439 -6.131 -2.139 1.401 1.00 61.20 H new ATOM 0 HB3 TYR A 439 -6.582 -2.844 2.941 1.00 61.20 H new ATOM 0 HD1 TYR A 439 -8.425 -4.526 3.036 1.00 53.04 H new ATOM 0 HD2 TYR A 439 -7.031 -2.999 -0.683 1.00 3.53 H new ATOM 0 HE1 TYR A 439 -9.546 -6.355 1.853 1.00 1.13 H new ATOM 0 HE2 TYR A 439 -8.141 -4.827 -1.858 1.00 53.42 H new ATOM 0 HH TYR A 439 -10.496 -6.594 -0.714 1.00 73.24 H new ATOM 1197 N LEU A 440 -6.982 -0.017 4.018 1.00 2.25 N ATOM 1198 CA LEU A 440 -6.144 0.984 4.576 1.00 61.02 C ATOM 1199 C LEU A 440 -4.947 0.277 5.171 1.00 21.42 C ATOM 1200 O LEU A 440 -5.087 -0.665 5.951 1.00 51.10 O ATOM 1201 CB LEU A 440 -6.910 1.931 5.570 1.00 25.20 C ATOM 1202 CG LEU A 440 -7.467 1.374 6.903 1.00 55.44 C ATOM 1203 CD1 LEU A 440 -6.376 1.239 7.966 1.00 73.31 C ATOM 1204 CD2 LEU A 440 -8.605 2.245 7.406 1.00 11.32 C ATOM 0 H LEU A 440 -7.434 -0.622 4.703 1.00 2.25 H new ATOM 0 HA LEU A 440 -5.797 1.676 3.808 1.00 61.02 H new ATOM 0 HB2 LEU A 440 -6.237 2.751 5.819 1.00 25.20 H new ATOM 0 HB3 LEU A 440 -7.749 2.362 5.024 1.00 25.20 H new ATOM 0 HG LEU A 440 -7.851 0.373 6.707 1.00 55.44 H new ATOM 0 HD11 LEU A 440 -6.810 0.845 8.885 1.00 73.31 H new ATOM 0 HD12 LEU A 440 -5.603 0.559 7.609 1.00 73.31 H new ATOM 0 HD13 LEU A 440 -5.937 2.217 8.163 1.00 73.31 H new ATOM 0 HD21 LEU A 440 -8.986 1.840 8.344 1.00 11.32 H new ATOM 0 HD22 LEU A 440 -8.242 3.260 7.570 1.00 11.32 H new ATOM 0 HD23 LEU A 440 -9.405 2.261 6.666 1.00 11.32 H new ATOM 1212 N ILE A 441 -3.805 0.669 4.751 1.00 43.05 N ATOM 1213 CA ILE A 441 -2.579 0.029 5.141 1.00 30.43 C ATOM 1214 C ILE A 441 -1.680 1.025 5.837 1.00 30.33 C ATOM 1215 O ILE A 441 -1.552 2.173 5.400 1.00 41.31 O ATOM 1216 CB ILE A 441 -1.874 -0.562 3.883 1.00 32.25 C ATOM 1217 CG1 ILE A 441 -2.724 -1.683 3.272 1.00 51.32 C ATOM 1218 CG2 ILE A 441 -0.464 -1.067 4.202 1.00 25.14 C ATOM 1219 CD1 ILE A 441 -2.254 -2.167 1.918 1.00 33.01 C ATOM 0 H ILE A 441 -3.678 1.456 4.115 1.00 43.05 H new ATOM 0 HA ILE A 441 -2.796 -0.784 5.834 1.00 30.43 H new ATOM 0 HB ILE A 441 -1.773 0.242 3.154 1.00 32.25 H new ATOM 0 HG12 ILE A 441 -2.736 -2.528 3.961 1.00 51.32 H new ATOM 0 HG13 ILE A 441 -3.752 -1.332 3.180 1.00 51.32 H new ATOM 0 HG21 ILE A 441 -0.009 -1.471 3.298 1.00 25.14 H new ATOM 0 HG22 ILE A 441 0.142 -0.242 4.576 1.00 25.14 H new ATOM 0 HG23 ILE A 441 -0.520 -1.849 4.960 1.00 25.14 H new ATOM 0 HD11 ILE A 441 -2.915 -2.959 1.565 1.00 33.01 H new ATOM 0 HD12 ILE A 441 -2.270 -1.339 1.210 1.00 33.01 H new ATOM 0 HD13 ILE A 441 -1.238 -2.553 2.002 1.00 33.01 H new ATOM 1226 N LYS A 442 -1.090 0.617 6.922 1.00 74.13 N ATOM 1227 CA LYS A 442 -0.206 1.465 7.636 1.00 41.11 C ATOM 1228 C LYS A 442 1.213 0.994 7.381 1.00 24.34 C ATOM 1229 O LYS A 442 1.463 -0.204 7.298 1.00 65.12 O ATOM 1230 CB LYS A 442 -0.557 1.431 9.122 1.00 43.53 C ATOM 1231 CG LYS A 442 0.243 2.385 9.996 1.00 53.24 C ATOM 1232 CD LYS A 442 -0.192 2.288 11.455 1.00 12.34 C ATOM 1233 CE LYS A 442 -1.665 2.638 11.636 1.00 14.32 C ATOM 1234 NZ LYS A 442 -2.088 2.525 13.046 1.00 71.52 N ATOM 0 H LYS A 442 -1.213 -0.310 7.329 1.00 74.13 H new ATOM 0 HA LYS A 442 -0.297 2.498 7.302 1.00 41.11 H new ATOM 0 HB2 LYS A 442 -1.616 1.662 9.235 1.00 43.53 H new ATOM 0 HB3 LYS A 442 -0.411 0.416 9.491 1.00 43.53 H new ATOM 0 HG2 LYS A 442 1.305 2.155 9.914 1.00 53.24 H new ATOM 0 HG3 LYS A 442 0.110 3.407 9.641 1.00 53.24 H new ATOM 0 HD2 LYS A 442 -0.012 1.277 11.821 1.00 12.34 H new ATOM 0 HD3 LYS A 442 0.417 2.959 12.060 1.00 12.34 H new ATOM 0 HE2 LYS A 442 -1.843 3.654 11.284 1.00 14.32 H new ATOM 0 HE3 LYS A 442 -2.274 1.976 11.020 1.00 14.32 H new ATOM 0 HZ1 LYS A 442 -3.095 2.771 13.127 1.00 71.52 H new ATOM 0 HZ2 LYS A 442 -1.942 1.549 13.375 1.00 71.52 H new ATOM 0 HZ3 LYS A 442 -1.525 3.175 13.631 1.00 71.52 H new ATOM 1248 N MET A 443 2.113 1.918 7.217 1.00 62.34 N ATOM 1249 CA MET A 443 3.495 1.627 6.957 1.00 61.41 C ATOM 1250 C MET A 443 4.340 2.577 7.718 1.00 30.51 C ATOM 1251 O MET A 443 3.834 3.551 8.274 1.00 53.41 O ATOM 1252 CB MET A 443 3.856 1.740 5.472 1.00 0.23 C ATOM 1253 CG MET A 443 3.234 0.704 4.566 1.00 35.51 C ATOM 1254 SD MET A 443 3.839 0.835 2.868 1.00 64.52 S ATOM 1255 CE MET A 443 5.598 0.573 3.113 1.00 63.03 C ATOM 0 H MET A 443 1.904 2.915 7.261 1.00 62.34 H new ATOM 0 HA MET A 443 3.671 0.596 7.265 1.00 61.41 H new ATOM 0 HB2 MET A 443 3.561 2.728 5.119 1.00 0.23 H new ATOM 0 HB3 MET A 443 4.940 1.677 5.375 1.00 0.23 H new ATOM 0 HG2 MET A 443 3.451 -0.292 4.952 1.00 35.51 H new ATOM 0 HG3 MET A 443 2.150 0.820 4.574 1.00 35.51 H new ATOM 0 HE1 MET A 443 6.037 0.171 2.200 1.00 63.03 H new ATOM 0 HE2 MET A 443 6.076 1.521 3.358 1.00 63.03 H new ATOM 0 HE3 MET A 443 5.750 -0.132 3.930 1.00 63.03 H new ATOM 1265 N LYS A 444 5.605 2.305 7.769 1.00 4.40 N ATOM 1266 CA LYS A 444 6.535 3.179 8.425 1.00 51.31 C ATOM 1267 C LYS A 444 7.714 3.404 7.523 1.00 31.15 C ATOM 1268 O LYS A 444 7.938 2.631 6.585 1.00 71.22 O ATOM 1269 CB LYS A 444 7.021 2.590 9.735 1.00 34.11 C ATOM 1270 CG LYS A 444 5.935 2.188 10.669 1.00 62.32 C ATOM 1271 CD LYS A 444 5.286 3.392 11.275 1.00 1.14 C ATOM 1272 CE LYS A 444 4.109 2.968 12.079 1.00 31.43 C ATOM 1273 NZ LYS A 444 3.429 4.068 12.787 1.00 53.21 N ATOM 0 H LYS A 444 6.026 1.472 7.358 1.00 4.40 H new ATOM 0 HA LYS A 444 6.027 4.119 8.640 1.00 51.31 H new ATOM 0 HB2 LYS A 444 7.640 1.719 9.520 1.00 34.11 H new ATOM 0 HB3 LYS A 444 7.660 3.320 10.233 1.00 34.11 H new ATOM 0 HG2 LYS A 444 5.190 1.597 10.136 1.00 62.32 H new ATOM 0 HG3 LYS A 444 6.342 1.553 11.456 1.00 62.32 H new ATOM 0 HD2 LYS A 444 5.998 3.924 11.906 1.00 1.14 H new ATOM 0 HD3 LYS A 444 4.975 4.084 10.492 1.00 1.14 H new ATOM 0 HE2 LYS A 444 3.392 2.477 11.421 1.00 31.43 H new ATOM 0 HE3 LYS A 444 4.431 2.226 12.809 1.00 31.43 H new ATOM 0 HZ1 LYS A 444 3.117 3.738 13.723 1.00 53.21 H new ATOM 0 HZ2 LYS A 444 4.087 4.865 12.903 1.00 53.21 H new ATOM 0 HZ3 LYS A 444 2.603 4.377 12.236 1.00 53.21 H new ATOM 1287 N SER A 445 8.431 4.456 7.789 1.00 62.13 N ATOM 1288 CA SER A 445 9.631 4.816 7.043 1.00 75.01 C ATOM 1289 C SER A 445 10.318 5.989 7.748 1.00 3.21 C ATOM 1290 O SER A 445 9.649 6.813 8.384 1.00 11.51 O ATOM 1291 CB SER A 445 9.249 5.229 5.598 1.00 40.03 C ATOM 1292 OG SER A 445 10.395 5.496 4.790 1.00 2.03 O ATOM 0 H SER A 445 8.206 5.108 8.541 1.00 62.13 H new ATOM 0 HA SER A 445 10.306 3.961 6.999 1.00 75.01 H new ATOM 0 HB2 SER A 445 8.661 4.434 5.139 1.00 40.03 H new ATOM 0 HB3 SER A 445 8.616 6.116 5.631 1.00 40.03 H new ATOM 0 HG SER A 445 10.421 4.866 4.040 1.00 2.03 H new ATOM 1298 N PRO A 446 11.659 6.083 7.678 1.00 60.01 N ATOM 1299 CA PRO A 446 12.398 7.207 8.273 1.00 63.05 C ATOM 1300 C PRO A 446 12.068 8.511 7.567 1.00 64.32 C ATOM 1301 O PRO A 446 12.087 9.586 8.164 1.00 44.34 O ATOM 1302 CB PRO A 446 13.864 6.833 8.042 1.00 74.22 C ATOM 1303 CG PRO A 446 13.837 5.881 6.896 1.00 43.11 C ATOM 1304 CD PRO A 446 12.568 5.107 7.044 1.00 40.23 C ATOM 0 HA PRO A 446 12.153 7.362 9.324 1.00 63.05 H new ATOM 0 HB2 PRO A 446 14.465 7.713 7.812 1.00 74.22 H new ATOM 0 HB3 PRO A 446 14.299 6.373 8.929 1.00 74.22 H new ATOM 0 HG2 PRO A 446 13.863 6.412 5.945 1.00 43.11 H new ATOM 0 HG3 PRO A 446 14.703 5.220 6.915 1.00 43.11 H new ATOM 0 HD2 PRO A 446 12.187 4.767 6.081 1.00 40.23 H new ATOM 0 HD3 PRO A 446 12.705 4.221 7.664 1.00 40.23 H new ATOM 1312 N ALA A 447 11.697 8.391 6.305 1.00 60.25 N ATOM 1313 CA ALA A 447 11.374 9.532 5.484 1.00 2.51 C ATOM 1314 C ALA A 447 10.017 10.104 5.852 1.00 70.31 C ATOM 1315 O ALA A 447 9.694 11.232 5.490 1.00 22.20 O ATOM 1316 CB ALA A 447 11.423 9.151 4.013 1.00 4.03 C ATOM 0 H ALA A 447 11.613 7.495 5.824 1.00 60.25 H new ATOM 0 HA ALA A 447 12.118 10.308 5.666 1.00 2.51 H new ATOM 0 HB1 ALA A 447 11.177 10.021 3.404 1.00 4.03 H new ATOM 0 HB2 ALA A 447 12.424 8.802 3.761 1.00 4.03 H new ATOM 0 HB3 ALA A 447 10.702 8.357 3.819 1.00 4.03 H new ATOM 1322 N ALA A 448 9.235 9.332 6.579 1.00 42.34 N ATOM 1323 CA ALA A 448 7.913 9.758 6.994 1.00 32.11 C ATOM 1324 C ALA A 448 7.943 10.210 8.420 1.00 53.42 C ATOM 1325 O ALA A 448 6.903 10.451 9.037 1.00 64.41 O ATOM 1326 CB ALA A 448 6.935 8.629 6.855 1.00 62.43 C ATOM 0 H ALA A 448 9.495 8.398 6.897 1.00 42.34 H new ATOM 0 HA ALA A 448 7.602 10.585 6.356 1.00 32.11 H new ATOM 0 HB1 ALA A 448 5.946 8.963 7.170 1.00 62.43 H new ATOM 0 HB2 ALA A 448 6.895 8.308 5.814 1.00 62.43 H new ATOM 0 HB3 ALA A 448 7.252 7.794 7.480 1.00 62.43 H new ATOM 1332 N CYS A 449 9.117 10.363 8.936 1.00 22.53 N ATOM 1333 CA CYS A 449 9.270 10.721 10.290 1.00 32.23 C ATOM 1334 C CYS A 449 9.594 12.188 10.383 1.00 55.53 C ATOM 1335 O CYS A 449 10.567 12.665 9.794 1.00 60.41 O ATOM 1336 CB CYS A 449 10.388 9.895 10.909 1.00 43.22 C ATOM 1337 SG CYS A 449 10.477 9.973 12.722 1.00 51.23 S ATOM 0 H CYS A 449 9.991 10.242 8.424 1.00 22.53 H new ATOM 0 HA CYS A 449 8.345 10.526 10.832 1.00 32.23 H new ATOM 0 HB2 CYS A 449 10.261 8.855 10.610 1.00 43.22 H new ATOM 0 HB3 CYS A 449 11.340 10.231 10.498 1.00 43.22 H new ATOM 1342 N SER A 450 8.758 12.900 11.078 1.00 14.01 N ATOM 1343 CA SER A 450 8.945 14.290 11.290 1.00 14.31 C ATOM 1344 C SER A 450 9.199 14.479 12.783 1.00 4.11 C ATOM 1345 O SER A 450 10.350 14.294 13.221 1.00 38.46 O ATOM 1346 CB SER A 450 7.686 15.063 10.801 1.00 62.44 C ATOM 1347 OG SER A 450 7.839 16.483 10.890 1.00 73.04 O ATOM 1348 OXT SER A 450 8.250 14.734 13.536 1.00 38.46 O ATOM 0 H SER A 450 7.919 12.520 11.516 1.00 14.01 H new ATOM 0 HA SER A 450 9.792 14.683 10.727 1.00 14.31 H new ATOM 0 HB2 SER A 450 7.475 14.789 9.767 1.00 62.44 H new ATOM 0 HB3 SER A 450 6.824 14.757 11.394 1.00 62.44 H new ATOM 0 HG SER A 450 7.023 16.921 10.570 1.00 73.04 H new TER 1354 SER A 450