USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=27 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 363 MET CE :methyl -174:sc= -1.67! (180deg=-1.29) USER MOD Set 1.2: A 426 ASN : amide:sc= -0.43 K(o=-2.1,f=-3) USER MOD Set 2.1: A 419 THR OG1 : rot 30:sc= 1.21 USER MOD Set 2.2: A 442 LYS NZ :NH3+ -166:sc= 2.16 (180deg=0.801) USER MOD Set 3.1: A 410 ASN : amide:sc= 0.0721 K(o=-0.013,f=-1.1) USER MOD Set 3.2: A 436 LYS NZ :NH3+ -175:sc= -0.085 (180deg=-0.191) USER MOD Set 4.1: A 407 SER OG : rot -13:sc= 0.0275 USER MOD Set 4.2: A 413 HIS : no HE2:sc= -0.0929 K(o=-0.065,f=-1) USER MOD Set 5.1: A 379 TYR OH : rot 80:sc= 0.0458 USER MOD Set 5.2: A 395 GLN : amide:sc= -3.75! C(o=-3.7!,f=-3.8!) USER MOD Set 6.1: A 374 TYR OH : rot 180:sc= -0.55 USER MOD Set 6.2: A 384 GLN : amide:sc= 0.951 K(o=0.4,f=-3.4!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD Single : A 366 LYS NZ :NH3+ 169:sc= 1.57 (180deg=1.2) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -94:sc= 1.23 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN :FLIP amide:sc= -1.17 F(o=-2.6!,f=-1.2) USER MOD Single : A 386 SER OG : rot 87:sc= 1.24 USER MOD Single : A 391 ASN :FLIP amide:sc= -0.22 F(o=-4.7!,f=-0.22) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 398 ASN : amide:sc= 0.373 K(o=0.37,f=-4.9!) USER MOD Single : A 401 LYS NZ :NH3+ 165:sc=-0.00258 (180deg=-0.182) USER MOD Single : A 402 TYR OH : rot -130:sc= -2.05 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 406 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.7) USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= -0.0699 X(o=-0.07,f=0) USER MOD Single : A 439 TYR OH : rot -94:sc= 0.249 USER MOD Single : A 443 MET CE :methyl 155:sc= -0.297 (180deg=-1.45) USER MOD Single : A 444 LYS NZ :NH3+ -150:sc= 0.363 (180deg=-1.51!) USER MOD Single : A 445 SER OG : rot 180:sc= -0.0908 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 12.346 12.503 0.167 1.00 10.55 N ATOM 2 CA TYR A 357 10.896 12.583 0.245 1.00 73.20 C ATOM 3 C TYR A 357 10.428 11.918 1.514 1.00 64.24 C ATOM 4 O TYR A 357 11.252 11.449 2.293 1.00 32.02 O ATOM 5 CB TYR A 357 10.257 11.942 -0.987 1.00 53.43 C ATOM 6 CG TYR A 357 10.666 12.613 -2.276 1.00 63.05 C ATOM 7 CD1 TYR A 357 10.179 13.872 -2.602 1.00 72.41 C ATOM 8 CD2 TYR A 357 11.551 12.003 -3.155 1.00 65.44 C ATOM 9 CE1 TYR A 357 10.554 14.501 -3.768 1.00 1.44 C ATOM 10 CE2 TYR A 357 11.937 12.627 -4.323 1.00 21.05 C ATOM 11 CZ TYR A 357 11.434 13.878 -4.625 1.00 62.42 C ATOM 12 OH TYR A 357 11.822 14.514 -5.789 1.00 1.01 O ATOM 0 HA TYR A 357 10.589 13.629 0.265 1.00 73.20 H new ATOM 0 HB2 TYR A 357 10.534 10.889 -1.028 1.00 53.43 H new ATOM 0 HB3 TYR A 357 9.172 11.983 -0.890 1.00 53.43 H new ATOM 0 HD1 TYR A 357 9.494 14.366 -1.929 1.00 72.41 H new ATOM 0 HD2 TYR A 357 11.943 11.024 -2.920 1.00 65.44 H new ATOM 0 HE1 TYR A 357 10.160 15.477 -4.009 1.00 1.44 H new ATOM 0 HE2 TYR A 357 12.627 12.141 -4.997 1.00 21.05 H new ATOM 0 HH TYR A 357 12.446 13.942 -6.282 1.00 1.01 H new ATOM 24 N ARG A 358 9.117 11.874 1.733 1.00 52.51 N ATOM 25 CA ARG A 358 8.567 11.288 2.957 1.00 54.24 C ATOM 26 C ARG A 358 8.557 9.760 2.882 1.00 52.41 C ATOM 27 O ARG A 358 8.439 9.073 3.890 1.00 72.32 O ATOM 28 CB ARG A 358 7.158 11.816 3.242 1.00 24.30 C ATOM 29 CG ARG A 358 7.063 13.334 3.357 1.00 12.31 C ATOM 30 CD ARG A 358 5.648 13.781 3.682 1.00 31.51 C ATOM 31 NE ARG A 358 5.524 15.243 3.716 1.00 20.30 N ATOM 32 CZ ARG A 358 4.373 15.920 3.869 1.00 2.14 C ATOM 33 NH1 ARG A 358 3.242 15.275 4.146 1.00 24.25 N ATOM 34 NH2 ARG A 358 4.365 17.250 3.781 1.00 13.51 N ATOM 0 H ARG A 358 8.417 12.234 1.084 1.00 52.51 H new ATOM 0 HA ARG A 358 9.216 11.587 3.780 1.00 54.24 H new ATOM 0 HB2 ARG A 358 6.491 11.482 2.447 1.00 24.30 H new ATOM 0 HB3 ARG A 358 6.797 11.371 4.169 1.00 24.30 H new ATOM 0 HG2 ARG A 358 7.743 13.684 4.133 1.00 12.31 H new ATOM 0 HG3 ARG A 358 7.384 13.792 2.421 1.00 12.31 H new ATOM 0 HD2 ARG A 358 4.961 13.377 2.939 1.00 31.51 H new ATOM 0 HD3 ARG A 358 5.351 13.370 4.647 1.00 31.51 H new ATOM 0 HE ARG A 358 6.380 15.789 3.615 1.00 20.30 H new ATOM 0 HH11 ARG A 358 3.245 14.260 4.244 1.00 24.25 H new ATOM 0 HH12 ARG A 358 2.373 15.796 4.261 1.00 24.25 H new ATOM 0 HH21 ARG A 358 5.232 17.754 3.597 1.00 13.51 H new ATOM 0 HH22 ARG A 358 3.491 17.764 3.897 1.00 13.51 H new ATOM 46 N ALA A 359 8.676 9.241 1.698 1.00 61.12 N ATOM 47 CA ALA A 359 8.728 7.826 1.495 1.00 73.42 C ATOM 48 C ALA A 359 9.766 7.516 0.436 1.00 30.13 C ATOM 49 O ALA A 359 10.044 8.357 -0.430 1.00 42.04 O ATOM 50 CB ALA A 359 7.363 7.263 1.123 1.00 42.42 C ATOM 0 H ALA A 359 8.740 9.791 0.841 1.00 61.12 H new ATOM 0 HA ALA A 359 9.016 7.343 2.429 1.00 73.42 H new ATOM 0 HB1 ALA A 359 7.441 6.186 0.977 1.00 42.42 H new ATOM 0 HB2 ALA A 359 6.654 7.470 1.924 1.00 42.42 H new ATOM 0 HB3 ALA A 359 7.016 7.730 0.201 1.00 42.42 H new ATOM 56 N ILE A 360 10.355 6.343 0.511 1.00 24.32 N ATOM 57 CA ILE A 360 11.401 5.956 -0.412 1.00 15.24 C ATOM 58 C ILE A 360 10.762 5.463 -1.702 1.00 34.12 C ATOM 59 O ILE A 360 10.059 4.466 -1.709 1.00 1.12 O ATOM 60 CB ILE A 360 12.291 4.828 0.195 1.00 62.10 C ATOM 61 CG1 ILE A 360 12.897 5.271 1.545 1.00 22.12 C ATOM 62 CG2 ILE A 360 13.395 4.408 -0.777 1.00 62.05 C ATOM 63 CD1 ILE A 360 13.786 6.500 1.463 1.00 61.23 C ATOM 0 H ILE A 360 10.125 5.634 1.208 1.00 24.32 H new ATOM 0 HA ILE A 360 12.035 6.820 -0.610 1.00 15.24 H new ATOM 0 HB ILE A 360 11.652 3.963 0.372 1.00 62.10 H new ATOM 0 HG12 ILE A 360 12.086 5.471 2.245 1.00 22.12 H new ATOM 0 HG13 ILE A 360 13.477 4.445 1.957 1.00 22.12 H new ATOM 0 HG21 ILE A 360 13.998 3.621 -0.325 1.00 62.05 H new ATOM 0 HG22 ILE A 360 12.947 4.037 -1.699 1.00 62.05 H new ATOM 0 HG23 ILE A 360 14.028 5.266 -1.001 1.00 62.05 H new ATOM 0 HD11 ILE A 360 14.168 6.740 2.455 1.00 61.23 H new ATOM 0 HD12 ILE A 360 14.621 6.301 0.791 1.00 61.23 H new ATOM 0 HD13 ILE A 360 13.208 7.343 1.084 1.00 61.23 H new ATOM 70 N LYS A 361 11.018 6.174 -2.779 1.00 14.44 N ATOM 71 CA LYS A 361 10.397 5.896 -4.067 1.00 33.41 C ATOM 72 C LYS A 361 11.062 4.719 -4.776 1.00 10.32 C ATOM 73 O LYS A 361 12.214 4.376 -4.482 1.00 75.10 O ATOM 74 CB LYS A 361 10.484 7.132 -4.973 1.00 64.43 C ATOM 75 CG LYS A 361 11.912 7.542 -5.309 1.00 42.30 C ATOM 76 CD LYS A 361 11.957 8.689 -6.296 1.00 14.51 C ATOM 77 CE LYS A 361 13.391 9.004 -6.692 1.00 51.32 C ATOM 78 NZ LYS A 361 13.468 10.088 -7.689 1.00 20.00 N ATOM 0 H LYS A 361 11.663 6.964 -2.792 1.00 14.44 H new ATOM 0 HA LYS A 361 9.355 5.641 -3.874 1.00 33.41 H new ATOM 0 HB2 LYS A 361 9.945 6.932 -5.899 1.00 64.43 H new ATOM 0 HB3 LYS A 361 9.981 7.966 -4.485 1.00 64.43 H new ATOM 0 HG2 LYS A 361 12.431 7.830 -4.395 1.00 42.30 H new ATOM 0 HG3 LYS A 361 12.447 6.687 -5.723 1.00 42.30 H new ATOM 0 HD2 LYS A 361 11.377 8.434 -7.183 1.00 14.51 H new ATOM 0 HD3 LYS A 361 11.494 9.572 -5.856 1.00 14.51 H new ATOM 0 HE2 LYS A 361 13.957 9.288 -5.805 1.00 51.32 H new ATOM 0 HE3 LYS A 361 13.860 8.107 -7.096 1.00 51.32 H new ATOM 0 HZ1 LYS A 361 14.464 10.269 -7.929 1.00 20.00 H new ATOM 0 HZ2 LYS A 361 12.950 9.808 -8.547 1.00 20.00 H new ATOM 0 HZ3 LYS A 361 13.045 10.952 -7.295 1.00 20.00 H new ATOM 92 N GLY A 362 10.319 4.091 -5.690 1.00 72.02 N ATOM 93 CA GLY A 362 10.853 3.035 -6.533 1.00 51.42 C ATOM 94 C GLY A 362 11.002 1.694 -5.854 1.00 31.13 C ATOM 95 O GLY A 362 10.598 0.678 -6.407 1.00 24.01 O ATOM 0 H GLY A 362 9.336 4.303 -5.861 1.00 72.02 H new ATOM 0 HA2 GLY A 362 10.202 2.917 -7.399 1.00 51.42 H new ATOM 0 HA3 GLY A 362 11.828 3.347 -6.907 1.00 51.42 H new ATOM 99 N MET A 363 11.571 1.701 -4.675 1.00 61.54 N ATOM 100 CA MET A 363 11.875 0.492 -3.933 1.00 32.43 C ATOM 101 C MET A 363 10.638 -0.367 -3.676 1.00 64.35 C ATOM 102 O MET A 363 9.560 0.139 -3.323 1.00 23.44 O ATOM 103 CB MET A 363 12.574 0.833 -2.619 1.00 11.42 C ATOM 104 CG MET A 363 12.965 -0.380 -1.783 1.00 71.25 C ATOM 105 SD MET A 363 13.767 0.067 -0.237 1.00 11.25 S ATOM 106 CE MET A 363 12.487 1.074 0.501 1.00 70.45 C ATOM 0 H MET A 363 11.842 2.557 -4.192 1.00 61.54 H new ATOM 0 HA MET A 363 12.548 -0.101 -4.553 1.00 32.43 H new ATOM 0 HB2 MET A 363 13.471 1.413 -2.838 1.00 11.42 H new ATOM 0 HB3 MET A 363 11.918 1.471 -2.027 1.00 11.42 H new ATOM 0 HG2 MET A 363 12.074 -0.969 -1.567 1.00 71.25 H new ATOM 0 HG3 MET A 363 13.634 -1.015 -2.364 1.00 71.25 H new ATOM 0 HE1 MET A 363 12.862 1.522 1.422 1.00 70.45 H new ATOM 0 HE2 MET A 363 12.198 1.862 -0.194 1.00 70.45 H new ATOM 0 HE3 MET A 363 11.620 0.453 0.726 1.00 70.45 H new ATOM 116 N GLU A 364 10.804 -1.652 -3.860 1.00 14.33 N ATOM 117 CA GLU A 364 9.754 -2.611 -3.662 1.00 61.44 C ATOM 118 C GLU A 364 9.794 -3.205 -2.244 1.00 63.54 C ATOM 119 O GLU A 364 10.691 -3.972 -1.897 1.00 70.42 O ATOM 120 CB GLU A 364 9.828 -3.708 -4.726 1.00 31.34 C ATOM 121 CG GLU A 364 11.186 -4.365 -4.854 1.00 12.11 C ATOM 122 CD GLU A 364 11.162 -5.531 -5.775 1.00 62.31 C ATOM 123 OE1 GLU A 364 10.873 -6.647 -5.298 1.00 32.00 O ATOM 124 OE2 GLU A 364 11.425 -5.362 -6.978 1.00 51.13 O ATOM 0 H GLU A 364 11.688 -2.065 -4.156 1.00 14.33 H new ATOM 0 HA GLU A 364 8.799 -2.095 -3.767 1.00 61.44 H new ATOM 0 HB2 GLU A 364 9.088 -4.474 -4.493 1.00 31.34 H new ATOM 0 HB3 GLU A 364 9.552 -3.281 -5.690 1.00 31.34 H new ATOM 0 HG2 GLU A 364 11.909 -3.634 -5.216 1.00 12.11 H new ATOM 0 HG3 GLU A 364 11.525 -4.689 -3.870 1.00 12.11 H new ATOM 131 N THR A 365 8.826 -2.862 -1.456 1.00 51.24 N ATOM 132 CA THR A 365 8.745 -3.303 -0.076 1.00 14.31 C ATOM 133 C THR A 365 7.688 -4.405 0.020 1.00 14.21 C ATOM 134 O THR A 365 6.669 -4.319 -0.637 1.00 43.45 O ATOM 135 CB THR A 365 8.357 -2.101 0.816 1.00 51.11 C ATOM 136 OG1 THR A 365 9.327 -1.051 0.638 1.00 32.12 O ATOM 137 CG2 THR A 365 8.279 -2.487 2.289 1.00 14.25 C ATOM 0 H THR A 365 8.054 -2.261 -1.744 1.00 51.24 H new ATOM 0 HA THR A 365 9.705 -3.694 0.261 1.00 14.31 H new ATOM 0 HB THR A 365 7.367 -1.759 0.515 1.00 51.11 H new ATOM 0 HG1 THR A 365 9.086 -0.285 1.199 1.00 32.12 H new ATOM 0 HG21 THR A 365 8.004 -1.613 2.880 1.00 14.25 H new ATOM 0 HG22 THR A 365 7.528 -3.266 2.422 1.00 14.25 H new ATOM 0 HG23 THR A 365 9.249 -2.858 2.620 1.00 14.25 H new ATOM 143 N LYS A 366 7.936 -5.446 0.794 1.00 51.52 N ATOM 144 CA LYS A 366 6.981 -6.545 0.887 1.00 65.51 C ATOM 145 C LYS A 366 6.959 -7.154 2.289 1.00 71.41 C ATOM 146 O LYS A 366 7.967 -7.110 2.999 1.00 23.33 O ATOM 147 CB LYS A 366 7.223 -7.638 -0.186 1.00 1.34 C ATOM 148 CG LYS A 366 8.538 -8.382 -0.087 1.00 31.41 C ATOM 149 CD LYS A 366 9.737 -7.582 -0.584 1.00 61.12 C ATOM 150 CE LYS A 366 9.728 -7.422 -2.100 1.00 32.44 C ATOM 151 NZ LYS A 366 10.935 -6.712 -2.586 1.00 5.11 N ATOM 0 H LYS A 366 8.776 -5.557 1.361 1.00 51.52 H new ATOM 0 HA LYS A 366 6.000 -6.114 0.688 1.00 65.51 H new ATOM 0 HB2 LYS A 366 6.412 -8.364 -0.127 1.00 1.34 H new ATOM 0 HB3 LYS A 366 7.164 -7.173 -1.170 1.00 1.34 H new ATOM 0 HG2 LYS A 366 8.707 -8.665 0.952 1.00 31.41 H new ATOM 0 HG3 LYS A 366 8.466 -9.306 -0.661 1.00 31.41 H new ATOM 0 HD2 LYS A 366 9.735 -6.598 -0.116 1.00 61.12 H new ATOM 0 HD3 LYS A 366 10.657 -8.080 -0.277 1.00 61.12 H new ATOM 0 HE2 LYS A 366 9.671 -8.404 -2.569 1.00 32.44 H new ATOM 0 HE3 LYS A 366 8.837 -6.872 -2.402 1.00 32.44 H new ATOM 0 HZ1 LYS A 366 10.987 -6.785 -3.622 1.00 5.11 H new ATOM 0 HZ2 LYS A 366 10.883 -5.710 -2.312 1.00 5.11 H new ATOM 0 HZ3 LYS A 366 11.784 -7.142 -2.166 1.00 5.11 H new ATOM 165 N ARG A 367 5.825 -7.716 2.687 1.00 53.30 N ATOM 166 CA ARG A 367 5.683 -8.321 4.013 1.00 21.51 C ATOM 167 C ARG A 367 4.475 -9.260 4.009 1.00 12.13 C ATOM 168 O ARG A 367 3.422 -8.917 3.463 1.00 14.24 O ATOM 169 CB ARG A 367 5.571 -7.175 5.066 1.00 74.22 C ATOM 170 CG ARG A 367 5.578 -7.538 6.567 1.00 20.44 C ATOM 171 CD ARG A 367 4.253 -8.024 7.110 1.00 44.35 C ATOM 172 NE ARG A 367 4.279 -8.117 8.595 1.00 30.54 N ATOM 173 CZ ARG A 367 3.274 -8.553 9.376 1.00 71.45 C ATOM 174 NH1 ARG A 367 2.256 -9.192 8.855 1.00 65.55 N ATOM 175 NH2 ARG A 367 3.345 -8.409 10.690 1.00 33.23 N ATOM 0 H ARG A 367 4.985 -7.767 2.111 1.00 53.30 H new ATOM 0 HA ARG A 367 6.550 -8.927 4.278 1.00 21.51 H new ATOM 0 HB2 ARG A 367 6.395 -6.484 4.890 1.00 74.22 H new ATOM 0 HB3 ARG A 367 4.649 -6.630 4.863 1.00 74.22 H new ATOM 0 HG2 ARG A 367 6.329 -8.310 6.736 1.00 20.44 H new ATOM 0 HG3 ARG A 367 5.888 -6.662 7.136 1.00 20.44 H new ATOM 0 HD2 ARG A 367 3.459 -7.345 6.800 1.00 44.35 H new ATOM 0 HD3 ARG A 367 4.020 -9.001 6.686 1.00 44.35 H new ATOM 0 HE ARG A 367 5.136 -7.824 9.063 1.00 30.54 H new ATOM 0 HH11 ARG A 367 2.221 -9.362 7.850 1.00 65.55 H new ATOM 0 HH12 ARG A 367 1.498 -9.519 9.454 1.00 65.55 H new ATOM 0 HH21 ARG A 367 4.162 -7.967 11.111 1.00 33.23 H new ATOM 0 HH22 ARG A 367 2.583 -8.740 11.281 1.00 33.23 H new ATOM 187 N GLU A 368 4.640 -10.443 4.583 1.00 53.43 N ATOM 188 CA GLU A 368 3.564 -11.450 4.622 1.00 62.12 C ATOM 189 C GLU A 368 2.561 -11.095 5.669 1.00 4.21 C ATOM 190 O GLU A 368 2.915 -10.874 6.810 1.00 11.34 O ATOM 191 CB GLU A 368 4.087 -12.871 4.903 1.00 71.03 C ATOM 192 CG GLU A 368 4.923 -13.518 3.800 1.00 41.14 C ATOM 193 CD GLU A 368 6.159 -12.755 3.422 1.00 3.55 C ATOM 194 OE1 GLU A 368 7.127 -12.747 4.190 1.00 22.51 O ATOM 195 OE2 GLU A 368 6.181 -12.170 2.329 1.00 14.43 O ATOM 0 H GLU A 368 5.507 -10.739 5.032 1.00 53.43 H new ATOM 0 HA GLU A 368 3.105 -11.448 3.633 1.00 62.12 H new ATOM 0 HB2 GLU A 368 4.687 -12.841 5.813 1.00 71.03 H new ATOM 0 HB3 GLU A 368 3.232 -13.516 5.106 1.00 71.03 H new ATOM 0 HG2 GLU A 368 5.214 -14.518 4.122 1.00 41.14 H new ATOM 0 HG3 GLU A 368 4.300 -13.637 2.913 1.00 41.14 H new ATOM 202 N ILE A 369 1.315 -11.016 5.291 1.00 63.22 N ATOM 203 CA ILE A 369 0.274 -10.678 6.212 1.00 21.21 C ATOM 204 C ILE A 369 -0.849 -11.649 5.975 1.00 21.41 C ATOM 205 O ILE A 369 -1.336 -11.750 4.875 1.00 74.41 O ATOM 206 CB ILE A 369 -0.220 -9.226 5.960 1.00 12.31 C ATOM 207 CG1 ILE A 369 0.978 -8.283 5.890 1.00 22.32 C ATOM 208 CG2 ILE A 369 -1.138 -8.791 7.094 1.00 62.14 C ATOM 209 CD1 ILE A 369 0.661 -6.880 5.514 1.00 22.12 C ATOM 0 H ILE A 369 0.997 -11.184 4.337 1.00 63.22 H new ATOM 0 HA ILE A 369 0.633 -10.733 7.240 1.00 21.21 H new ATOM 0 HB ILE A 369 -0.767 -9.193 5.018 1.00 12.31 H new ATOM 0 HG12 ILE A 369 1.473 -8.278 6.861 1.00 22.32 H new ATOM 0 HG13 ILE A 369 1.692 -8.682 5.170 1.00 22.32 H new ATOM 0 HG21 ILE A 369 -1.482 -7.773 6.913 1.00 62.14 H new ATOM 0 HG22 ILE A 369 -1.997 -9.461 7.144 1.00 62.14 H new ATOM 0 HG23 ILE A 369 -0.593 -8.828 8.038 1.00 62.14 H new ATOM 0 HD11 ILE A 369 1.579 -6.293 5.493 1.00 22.12 H new ATOM 0 HD12 ILE A 369 0.197 -6.864 4.528 1.00 22.12 H new ATOM 0 HD13 ILE A 369 -0.026 -6.454 6.245 1.00 22.12 H new ATOM 216 N GLY A 370 -1.207 -12.410 6.980 1.00 51.13 N ATOM 217 CA GLY A 370 -2.255 -13.410 6.832 1.00 65.21 C ATOM 218 C GLY A 370 -1.845 -14.533 5.890 1.00 0.22 C ATOM 219 O GLY A 370 -2.684 -15.335 5.454 1.00 23.04 O ATOM 0 H GLY A 370 -0.793 -12.362 7.911 1.00 51.13 H new ATOM 0 HA2 GLY A 370 -2.498 -13.827 7.809 1.00 65.21 H new ATOM 0 HA3 GLY A 370 -3.160 -12.933 6.455 1.00 65.21 H new ATOM 223 N GLY A 371 -0.561 -14.582 5.567 1.00 41.33 N ATOM 224 CA GLY A 371 -0.048 -15.584 4.687 1.00 34.43 C ATOM 225 C GLY A 371 0.270 -15.040 3.328 1.00 1.53 C ATOM 226 O GLY A 371 1.109 -15.581 2.613 1.00 22.20 O ATOM 0 H GLY A 371 0.139 -13.926 5.913 1.00 41.33 H new ATOM 0 HA2 GLY A 371 0.852 -16.019 5.121 1.00 34.43 H new ATOM 0 HA3 GLY A 371 -0.777 -16.389 4.592 1.00 34.43 H new ATOM 230 N TYR A 372 -0.354 -13.957 2.978 1.00 23.15 N ATOM 231 CA TYR A 372 -0.167 -13.405 1.680 1.00 52.32 C ATOM 232 C TYR A 372 0.837 -12.285 1.722 1.00 54.40 C ATOM 233 O TYR A 372 0.839 -11.464 2.641 1.00 12.40 O ATOM 234 CB TYR A 372 -1.508 -12.989 1.035 1.00 23.21 C ATOM 235 CG TYR A 372 -2.392 -12.135 1.903 1.00 42.44 C ATOM 236 CD1 TYR A 372 -2.128 -10.807 2.095 1.00 11.32 C ATOM 237 CD2 TYR A 372 -3.498 -12.683 2.539 1.00 40.25 C ATOM 238 CE1 TYR A 372 -2.928 -10.034 2.891 1.00 52.13 C ATOM 239 CE2 TYR A 372 -4.309 -11.911 3.343 1.00 34.32 C ATOM 240 CZ TYR A 372 -4.016 -10.584 3.513 1.00 40.41 C ATOM 241 OH TYR A 372 -4.813 -9.796 4.314 1.00 70.10 O ATOM 0 H TYR A 372 -0.997 -13.440 3.577 1.00 23.15 H new ATOM 0 HA TYR A 372 0.244 -14.180 1.033 1.00 52.32 H new ATOM 0 HB2 TYR A 372 -1.298 -12.448 0.112 1.00 23.21 H new ATOM 0 HB3 TYR A 372 -2.056 -13.890 0.759 1.00 23.21 H new ATOM 0 HD1 TYR A 372 -1.273 -10.361 1.610 1.00 11.32 H new ATOM 0 HD2 TYR A 372 -3.726 -13.730 2.402 1.00 40.25 H new ATOM 0 HE1 TYR A 372 -2.701 -8.987 3.029 1.00 52.13 H new ATOM 0 HE2 TYR A 372 -5.166 -12.348 3.834 1.00 34.32 H new ATOM 0 HH TYR A 372 -5.544 -10.336 4.681 1.00 70.10 H new ATOM 251 N THR A 373 1.698 -12.278 0.770 1.00 42.22 N ATOM 252 CA THR A 373 2.723 -11.295 0.694 1.00 64.03 C ATOM 253 C THR A 373 2.176 -9.997 0.126 1.00 11.31 C ATOM 254 O THR A 373 1.712 -9.950 -1.014 1.00 12.15 O ATOM 255 CB THR A 373 3.910 -11.815 -0.155 1.00 53.52 C ATOM 256 OG1 THR A 373 4.459 -12.993 0.475 1.00 33.32 O ATOM 257 CG2 THR A 373 5.003 -10.756 -0.294 1.00 0.52 C ATOM 0 H THR A 373 1.713 -12.961 0.012 1.00 42.22 H new ATOM 0 HA THR A 373 3.088 -11.095 1.701 1.00 64.03 H new ATOM 0 HB THR A 373 3.542 -12.053 -1.153 1.00 53.52 H new ATOM 0 HG1 THR A 373 5.211 -12.737 1.049 1.00 33.32 H new ATOM 0 HG21 THR A 373 5.821 -11.154 -0.895 1.00 0.52 H new ATOM 0 HG22 THR A 373 4.592 -9.871 -0.780 1.00 0.52 H new ATOM 0 HG23 THR A 373 5.377 -10.487 0.694 1.00 0.52 H new ATOM 263 N TYR A 374 2.200 -8.966 0.928 1.00 2.10 N ATOM 264 CA TYR A 374 1.815 -7.678 0.479 1.00 64.30 C ATOM 265 C TYR A 374 3.021 -7.000 -0.042 1.00 31.13 C ATOM 266 O TYR A 374 4.063 -7.029 0.599 1.00 11.14 O ATOM 267 CB TYR A 374 1.216 -6.860 1.603 1.00 5.02 C ATOM 268 CG TYR A 374 -0.218 -6.555 1.378 1.00 40.31 C ATOM 269 CD1 TYR A 374 -0.591 -5.604 0.447 1.00 4.33 C ATOM 270 CD2 TYR A 374 -1.207 -7.217 2.069 1.00 21.25 C ATOM 271 CE1 TYR A 374 -1.890 -5.316 0.209 1.00 65.52 C ATOM 272 CE2 TYR A 374 -2.540 -6.927 1.829 1.00 42.54 C ATOM 273 CZ TYR A 374 -2.872 -5.982 0.903 1.00 33.55 C ATOM 274 OH TYR A 374 -4.198 -5.703 0.670 1.00 33.22 O ATOM 0 H TYR A 374 2.488 -9.007 1.906 1.00 2.10 H new ATOM 0 HA TYR A 374 1.056 -7.777 -0.297 1.00 64.30 H new ATOM 0 HB2 TYR A 374 1.326 -7.402 2.542 1.00 5.02 H new ATOM 0 HB3 TYR A 374 1.771 -5.928 1.706 1.00 5.02 H new ATOM 0 HD1 TYR A 374 0.175 -5.078 -0.104 1.00 4.33 H new ATOM 0 HD2 TYR A 374 -0.943 -7.966 2.801 1.00 21.25 H new ATOM 0 HE1 TYR A 374 -2.155 -4.567 -0.522 1.00 65.52 H new ATOM 0 HE2 TYR A 374 -3.314 -7.447 2.373 1.00 42.54 H new ATOM 0 HH TYR A 374 -4.757 -6.266 1.246 1.00 33.22 H new ATOM 284 N LYS A 375 2.908 -6.402 -1.181 1.00 54.13 N ATOM 285 CA LYS A 375 4.053 -5.801 -1.796 1.00 44.13 C ATOM 286 C LYS A 375 3.705 -4.436 -2.271 1.00 62.34 C ATOM 287 O LYS A 375 2.714 -4.255 -2.949 1.00 52.50 O ATOM 288 CB LYS A 375 4.558 -6.629 -2.976 1.00 23.03 C ATOM 289 CG LYS A 375 5.898 -6.141 -3.518 1.00 42.34 C ATOM 290 CD LYS A 375 6.313 -6.900 -4.749 1.00 32.44 C ATOM 291 CE LYS A 375 5.482 -6.506 -5.955 1.00 14.13 C ATOM 292 NZ LYS A 375 5.846 -7.296 -7.155 1.00 51.41 N ATOM 0 H LYS A 375 2.038 -6.314 -1.707 1.00 54.13 H new ATOM 0 HA LYS A 375 4.845 -5.752 -1.049 1.00 44.13 H new ATOM 0 HB2 LYS A 375 4.655 -7.670 -2.667 1.00 23.03 H new ATOM 0 HB3 LYS A 375 3.817 -6.601 -3.775 1.00 23.03 H new ATOM 0 HG2 LYS A 375 5.830 -5.079 -3.752 1.00 42.34 H new ATOM 0 HG3 LYS A 375 6.663 -6.250 -2.749 1.00 42.34 H new ATOM 0 HD2 LYS A 375 7.367 -6.712 -4.955 1.00 32.44 H new ATOM 0 HD3 LYS A 375 6.210 -7.970 -4.569 1.00 32.44 H new ATOM 0 HE2 LYS A 375 4.425 -6.651 -5.731 1.00 14.13 H new ATOM 0 HE3 LYS A 375 5.622 -5.445 -6.162 1.00 14.13 H new ATOM 0 HZ1 LYS A 375 5.257 -6.998 -7.959 1.00 51.41 H new ATOM 0 HZ2 LYS A 375 6.848 -7.138 -7.383 1.00 51.41 H new ATOM 0 HZ3 LYS A 375 5.689 -8.307 -6.966 1.00 51.41 H new ATOM 306 N VAL A 376 4.511 -3.507 -1.939 1.00 12.14 N ATOM 307 CA VAL A 376 4.291 -2.142 -2.331 1.00 3.00 C ATOM 308 C VAL A 376 5.505 -1.613 -3.088 1.00 12.14 C ATOM 309 O VAL A 376 6.620 -1.565 -2.554 1.00 73.44 O ATOM 310 CB VAL A 376 3.933 -1.235 -1.094 1.00 12.22 C ATOM 311 CG1 VAL A 376 5.010 -1.269 -0.041 1.00 61.04 C ATOM 312 CG2 VAL A 376 3.654 0.200 -1.512 1.00 42.53 C ATOM 0 H VAL A 376 5.353 -3.655 -1.384 1.00 12.14 H new ATOM 0 HA VAL A 376 3.431 -2.110 -3.000 1.00 3.00 H new ATOM 0 HB VAL A 376 3.023 -1.649 -0.660 1.00 12.22 H new ATOM 0 HG11 VAL A 376 4.723 -0.630 0.794 1.00 61.04 H new ATOM 0 HG12 VAL A 376 5.141 -2.292 0.313 1.00 61.04 H new ATOM 0 HG13 VAL A 376 5.947 -0.910 -0.467 1.00 61.04 H new ATOM 0 HG21 VAL A 376 3.411 0.795 -0.631 1.00 42.53 H new ATOM 0 HG22 VAL A 376 4.537 0.616 -1.998 1.00 42.53 H new ATOM 0 HG23 VAL A 376 2.814 0.220 -2.207 1.00 42.53 H new ATOM 318 N VAL A 377 5.315 -1.285 -4.345 1.00 11.45 N ATOM 319 CA VAL A 377 6.374 -0.691 -5.100 1.00 23.21 C ATOM 320 C VAL A 377 6.020 0.754 -5.319 1.00 74.32 C ATOM 321 O VAL A 377 5.032 1.067 -6.002 1.00 24.10 O ATOM 322 CB VAL A 377 6.586 -1.393 -6.455 1.00 71.22 C ATOM 323 CG1 VAL A 377 7.766 -0.773 -7.186 1.00 5.34 C ATOM 324 CG2 VAL A 377 6.804 -2.884 -6.251 1.00 2.24 C ATOM 0 H VAL A 377 4.442 -1.421 -4.856 1.00 11.45 H new ATOM 0 HA VAL A 377 7.308 -0.791 -4.547 1.00 23.21 H new ATOM 0 HB VAL A 377 5.692 -1.259 -7.064 1.00 71.22 H new ATOM 0 HG11 VAL A 377 7.907 -1.277 -8.142 1.00 5.34 H new ATOM 0 HG12 VAL A 377 7.572 0.286 -7.359 1.00 5.34 H new ATOM 0 HG13 VAL A 377 8.667 -0.883 -6.582 1.00 5.34 H new ATOM 0 HG21 VAL A 377 6.952 -3.366 -7.218 1.00 2.24 H new ATOM 0 HG22 VAL A 377 7.685 -3.041 -5.628 1.00 2.24 H new ATOM 0 HG23 VAL A 377 5.931 -3.316 -5.761 1.00 2.24 H new ATOM 330 N PHE A 378 6.827 1.626 -4.773 1.00 32.21 N ATOM 331 CA PHE A 378 6.540 3.038 -4.777 1.00 61.32 C ATOM 332 C PHE A 378 6.498 3.652 -6.162 1.00 0.30 C ATOM 333 O PHE A 378 7.429 3.520 -6.955 1.00 22.45 O ATOM 334 CB PHE A 378 7.442 3.802 -3.821 1.00 55.22 C ATOM 335 CG PHE A 378 7.213 3.451 -2.372 1.00 61.22 C ATOM 336 CD1 PHE A 378 7.816 2.336 -1.801 1.00 22.01 C ATOM 337 CD2 PHE A 378 6.393 4.237 -1.582 1.00 14.35 C ATOM 338 CE1 PHE A 378 7.605 2.020 -0.475 1.00 22.51 C ATOM 339 CE2 PHE A 378 6.180 3.924 -0.255 1.00 14.23 C ATOM 340 CZ PHE A 378 6.786 2.816 0.298 1.00 1.42 C ATOM 0 H PHE A 378 7.703 1.378 -4.312 1.00 32.21 H new ATOM 0 HA PHE A 378 5.521 3.134 -4.401 1.00 61.32 H new ATOM 0 HB2 PHE A 378 8.483 3.601 -4.076 1.00 55.22 H new ATOM 0 HB3 PHE A 378 7.281 4.871 -3.958 1.00 55.22 H new ATOM 0 HD1 PHE A 378 8.458 1.710 -2.403 1.00 22.01 H new ATOM 0 HD2 PHE A 378 5.914 5.106 -2.009 1.00 14.35 H new ATOM 0 HE1 PHE A 378 8.080 1.151 -0.043 1.00 22.51 H new ATOM 0 HE2 PHE A 378 5.538 4.547 0.350 1.00 14.23 H new ATOM 0 HZ PHE A 378 6.619 2.571 1.337 1.00 1.42 H new ATOM 350 N TYR A 379 5.375 4.313 -6.416 1.00 21.31 N ATOM 351 CA TYR A 379 5.035 4.972 -7.668 1.00 14.45 C ATOM 352 C TYR A 379 4.689 3.999 -8.778 1.00 34.33 C ATOM 353 O TYR A 379 4.528 4.390 -9.917 1.00 20.45 O ATOM 354 CB TYR A 379 6.049 6.054 -8.086 1.00 51.54 C ATOM 355 CG TYR A 379 6.062 7.233 -7.128 1.00 13.40 C ATOM 356 CD1 TYR A 379 5.128 8.261 -7.249 1.00 14.14 C ATOM 357 CD2 TYR A 379 6.983 7.306 -6.095 1.00 52.51 C ATOM 358 CE1 TYR A 379 5.120 9.329 -6.368 1.00 12.24 C ATOM 359 CE2 TYR A 379 6.983 8.368 -5.212 1.00 21.23 C ATOM 360 CZ TYR A 379 6.054 9.373 -5.349 1.00 51.41 C ATOM 361 OH TYR A 379 6.057 10.422 -4.463 1.00 64.20 O ATOM 0 H TYR A 379 4.639 4.408 -5.716 1.00 21.31 H new ATOM 0 HA TYR A 379 4.112 5.517 -7.469 1.00 14.45 H new ATOM 0 HB2 TYR A 379 7.046 5.616 -8.133 1.00 51.54 H new ATOM 0 HB3 TYR A 379 5.808 6.406 -9.089 1.00 51.54 H new ATOM 0 HD1 TYR A 379 4.398 8.224 -8.044 1.00 14.14 H new ATOM 0 HD2 TYR A 379 7.713 6.519 -5.978 1.00 52.51 H new ATOM 0 HE1 TYR A 379 4.392 10.119 -6.475 1.00 12.24 H new ATOM 0 HE2 TYR A 379 7.711 8.409 -4.415 1.00 21.23 H new ATOM 0 HH TYR A 379 5.364 10.279 -3.785 1.00 64.20 H new ATOM 371 N GLU A 380 4.526 2.734 -8.425 1.00 13.14 N ATOM 372 CA GLU A 380 4.084 1.748 -9.380 1.00 22.01 C ATOM 373 C GLU A 380 2.766 1.110 -8.987 1.00 4.14 C ATOM 374 O GLU A 380 1.687 1.573 -9.388 1.00 10.13 O ATOM 375 CB GLU A 380 5.140 0.672 -9.680 1.00 72.30 C ATOM 376 CG GLU A 380 6.325 1.173 -10.471 1.00 40.52 C ATOM 377 CD GLU A 380 7.236 0.063 -10.926 1.00 75.53 C ATOM 378 OE1 GLU A 380 6.923 -0.592 -11.954 1.00 35.12 O ATOM 379 OE2 GLU A 380 8.275 -0.173 -10.296 1.00 23.01 O ATOM 0 H GLU A 380 4.694 2.373 -7.486 1.00 13.14 H new ATOM 0 HA GLU A 380 3.926 2.304 -10.304 1.00 22.01 H new ATOM 0 HB2 GLU A 380 5.496 0.255 -8.738 1.00 72.30 H new ATOM 0 HB3 GLU A 380 4.668 -0.142 -10.230 1.00 72.30 H new ATOM 0 HG2 GLU A 380 5.968 1.724 -11.341 1.00 40.52 H new ATOM 0 HG3 GLU A 380 6.893 1.875 -9.860 1.00 40.52 H new ATOM 386 N ASN A 381 2.840 0.098 -8.152 1.00 73.24 N ATOM 387 CA ASN A 381 1.678 -0.702 -7.808 1.00 64.44 C ATOM 388 C ASN A 381 1.908 -1.594 -6.597 1.00 52.41 C ATOM 389 O ASN A 381 3.051 -1.882 -6.229 1.00 74.12 O ATOM 390 CB ASN A 381 1.169 -1.509 -9.036 1.00 14.01 C ATOM 391 CG ASN A 381 2.268 -2.231 -9.844 1.00 73.31 C ATOM 392 OD1 ASN A 381 3.346 -2.643 -9.205 1.00 51.54 O flip ATOM 393 ND2 ASN A 381 2.129 -2.405 -11.054 1.00 52.55 N flip ATOM 0 H ASN A 381 3.702 -0.196 -7.692 1.00 73.24 H new ATOM 0 HA ASN A 381 0.892 -0.004 -7.518 1.00 64.44 H new ATOM 0 HB2 ASN A 381 0.447 -2.249 -8.691 1.00 14.01 H new ATOM 0 HB3 ASN A 381 0.636 -0.830 -9.702 1.00 14.01 H new ATOM 0 HD21 ASN A 381 1.285 -2.076 -11.523 1.00 52.55 H new ATOM 0 HD22 ASN A 381 2.858 -2.878 -11.588 1.00 52.55 H new ATOM 399 N VAL A 382 0.811 -2.009 -5.993 1.00 45.34 N ATOM 400 CA VAL A 382 0.788 -2.851 -4.796 1.00 72.43 C ATOM 401 C VAL A 382 0.192 -4.205 -5.150 1.00 34.45 C ATOM 402 O VAL A 382 -0.694 -4.291 -6.007 1.00 24.15 O ATOM 403 CB VAL A 382 -0.063 -2.190 -3.647 1.00 11.41 C ATOM 404 CG1 VAL A 382 -0.178 -3.086 -2.417 1.00 34.20 C ATOM 405 CG2 VAL A 382 0.543 -0.878 -3.242 1.00 61.33 C ATOM 0 H VAL A 382 -0.122 -1.766 -6.327 1.00 45.34 H new ATOM 0 HA VAL A 382 1.811 -2.968 -4.438 1.00 72.43 H new ATOM 0 HB VAL A 382 -1.065 -2.037 -4.047 1.00 11.41 H new ATOM 0 HG11 VAL A 382 -0.774 -2.583 -1.655 1.00 34.20 H new ATOM 0 HG12 VAL A 382 -0.659 -4.024 -2.694 1.00 34.20 H new ATOM 0 HG13 VAL A 382 0.817 -3.291 -2.022 1.00 34.20 H new ATOM 0 HG21 VAL A 382 -0.054 -0.431 -2.447 1.00 61.33 H new ATOM 0 HG22 VAL A 382 1.559 -1.042 -2.884 1.00 61.33 H new ATOM 0 HG23 VAL A 382 0.565 -0.207 -4.101 1.00 61.33 H new ATOM 411 N PHE A 383 0.683 -5.243 -4.514 1.00 32.22 N ATOM 412 CA PHE A 383 0.236 -6.594 -4.753 1.00 43.22 C ATOM 413 C PHE A 383 -0.039 -7.330 -3.473 1.00 11.51 C ATOM 414 O PHE A 383 0.528 -7.023 -2.432 1.00 64.12 O ATOM 415 CB PHE A 383 1.264 -7.381 -5.582 1.00 64.32 C ATOM 416 CG PHE A 383 1.354 -6.941 -7.003 1.00 40.44 C ATOM 417 CD1 PHE A 383 2.092 -5.838 -7.349 1.00 20.33 C ATOM 418 CD2 PHE A 383 0.683 -7.630 -7.997 1.00 41.42 C ATOM 419 CE1 PHE A 383 2.165 -5.422 -8.644 1.00 63.10 C ATOM 420 CE2 PHE A 383 0.754 -7.217 -9.305 1.00 64.25 C ATOM 421 CZ PHE A 383 1.499 -6.106 -9.627 1.00 41.43 C ATOM 0 H PHE A 383 1.414 -5.171 -3.806 1.00 32.22 H new ATOM 0 HA PHE A 383 -0.696 -6.517 -5.314 1.00 43.22 H new ATOM 0 HB2 PHE A 383 2.245 -7.281 -5.117 1.00 64.32 H new ATOM 0 HB3 PHE A 383 1.005 -8.439 -5.555 1.00 64.32 H new ATOM 0 HD1 PHE A 383 2.623 -5.291 -6.584 1.00 20.33 H new ATOM 0 HD2 PHE A 383 0.098 -8.501 -7.742 1.00 41.42 H new ATOM 0 HE1 PHE A 383 2.750 -4.550 -8.897 1.00 63.10 H new ATOM 0 HE2 PHE A 383 0.228 -7.761 -10.076 1.00 64.25 H new ATOM 0 HZ PHE A 383 1.559 -5.774 -10.653 1.00 41.43 H new ATOM 431 N GLN A 384 -0.927 -8.272 -3.564 1.00 53.54 N ATOM 432 CA GLN A 384 -1.238 -9.180 -2.507 1.00 24.15 C ATOM 433 C GLN A 384 -1.056 -10.566 -3.071 1.00 71.12 C ATOM 434 O GLN A 384 -1.894 -11.034 -3.848 1.00 15.23 O ATOM 435 CB GLN A 384 -2.673 -9.001 -2.058 1.00 55.44 C ATOM 436 CG GLN A 384 -3.094 -9.893 -0.914 1.00 23.33 C ATOM 437 CD GLN A 384 -4.570 -9.779 -0.641 1.00 31.13 C ATOM 438 OE1 GLN A 384 -5.385 -10.499 -1.216 1.00 30.43 O ATOM 439 NE2 GLN A 384 -4.921 -8.884 0.219 1.00 2.15 N ATOM 0 H GLN A 384 -1.475 -8.434 -4.409 1.00 53.54 H new ATOM 0 HA GLN A 384 -0.595 -9.006 -1.644 1.00 24.15 H new ATOM 0 HB2 GLN A 384 -2.820 -7.962 -1.763 1.00 55.44 H new ATOM 0 HB3 GLN A 384 -3.331 -9.188 -2.907 1.00 55.44 H new ATOM 0 HG2 GLN A 384 -2.845 -10.928 -1.147 1.00 23.33 H new ATOM 0 HG3 GLN A 384 -2.535 -9.625 -0.017 1.00 23.33 H new ATOM 0 HE21 GLN A 384 -4.213 -8.308 0.673 1.00 2.15 H new ATOM 0 HE22 GLN A 384 -5.907 -8.753 0.445 1.00 2.15 H new ATOM 447 N ASP A 385 0.053 -11.177 -2.734 1.00 61.45 N ATOM 448 CA ASP A 385 0.469 -12.500 -3.243 1.00 1.34 C ATOM 449 C ASP A 385 0.834 -12.387 -4.713 1.00 51.02 C ATOM 450 O ASP A 385 1.997 -12.198 -5.066 1.00 73.30 O ATOM 451 CB ASP A 385 -0.623 -13.578 -3.054 1.00 52.30 C ATOM 452 CG ASP A 385 -0.156 -14.972 -3.451 1.00 62.13 C ATOM 453 OD1 ASP A 385 -0.191 -15.311 -4.661 1.00 44.43 O ATOM 454 OD2 ASP A 385 0.236 -15.743 -2.563 1.00 1.13 O ATOM 0 H ASP A 385 0.724 -10.772 -2.081 1.00 61.45 H new ATOM 0 HA ASP A 385 1.336 -12.816 -2.662 1.00 1.34 H new ATOM 0 HB2 ASP A 385 -0.938 -13.590 -2.011 1.00 52.30 H new ATOM 0 HB3 ASP A 385 -1.497 -13.310 -3.648 1.00 52.30 H new ATOM 459 N SER A 386 -0.173 -12.458 -5.551 1.00 40.44 N ATOM 460 CA SER A 386 -0.025 -12.318 -6.974 1.00 53.14 C ATOM 461 C SER A 386 -1.095 -11.361 -7.482 1.00 53.14 C ATOM 462 O SER A 386 -1.084 -10.946 -8.651 1.00 11.43 O ATOM 463 CB SER A 386 -0.210 -13.681 -7.647 1.00 51.41 C ATOM 464 OG SER A 386 0.679 -14.651 -7.102 1.00 43.05 O ATOM 0 H SER A 386 -1.135 -12.618 -5.254 1.00 40.44 H new ATOM 0 HA SER A 386 0.968 -11.933 -7.206 1.00 53.14 H new ATOM 0 HB2 SER A 386 -1.240 -14.015 -7.519 1.00 51.41 H new ATOM 0 HB3 SER A 386 -0.036 -13.587 -8.719 1.00 51.41 H new ATOM 0 HG SER A 386 0.267 -15.067 -6.316 1.00 43.05 H new ATOM 470 N ILE A 387 -2.002 -10.992 -6.584 1.00 23.15 N ATOM 471 CA ILE A 387 -3.134 -10.155 -6.934 1.00 22.40 C ATOM 472 C ILE A 387 -2.711 -8.702 -6.987 1.00 32.54 C ATOM 473 O ILE A 387 -2.044 -8.212 -6.080 1.00 3.42 O ATOM 474 CB ILE A 387 -4.294 -10.304 -5.901 1.00 11.22 C ATOM 475 CG1 ILE A 387 -4.732 -11.769 -5.796 1.00 15.12 C ATOM 476 CG2 ILE A 387 -5.487 -9.414 -6.280 1.00 33.14 C ATOM 477 CD1 ILE A 387 -5.830 -12.007 -4.780 1.00 0.13 C ATOM 0 H ILE A 387 -1.970 -11.264 -5.602 1.00 23.15 H new ATOM 0 HA ILE A 387 -3.490 -10.478 -7.912 1.00 22.40 H new ATOM 0 HB ILE A 387 -3.925 -9.979 -4.928 1.00 11.22 H new ATOM 0 HG12 ILE A 387 -5.075 -12.107 -6.774 1.00 15.12 H new ATOM 0 HG13 ILE A 387 -3.868 -12.379 -5.533 1.00 15.12 H new ATOM 0 HG21 ILE A 387 -6.281 -9.537 -5.544 1.00 33.14 H new ATOM 0 HG22 ILE A 387 -5.171 -8.371 -6.302 1.00 33.14 H new ATOM 0 HG23 ILE A 387 -5.857 -9.701 -7.264 1.00 33.14 H new ATOM 0 HD11 ILE A 387 -6.086 -13.066 -4.763 1.00 0.13 H new ATOM 0 HD12 ILE A 387 -5.484 -11.701 -3.792 1.00 0.13 H new ATOM 0 HD13 ILE A 387 -6.710 -11.425 -5.053 1.00 0.13 H new ATOM 484 N LEU A 388 -3.103 -8.032 -8.033 1.00 23.42 N ATOM 485 CA LEU A 388 -2.837 -6.630 -8.192 1.00 55.13 C ATOM 486 C LEU A 388 -3.798 -5.856 -7.314 1.00 72.20 C ATOM 487 O LEU A 388 -4.996 -5.835 -7.558 1.00 25.24 O ATOM 488 CB LEU A 388 -3.022 -6.237 -9.661 1.00 43.55 C ATOM 489 CG LEU A 388 -2.882 -4.755 -10.002 1.00 64.04 C ATOM 490 CD1 LEU A 388 -1.488 -4.240 -9.692 1.00 14.35 C ATOM 491 CD2 LEU A 388 -3.244 -4.520 -11.454 1.00 3.41 C ATOM 0 H LEU A 388 -3.621 -8.447 -8.807 1.00 23.42 H new ATOM 0 HA LEU A 388 -1.812 -6.402 -7.899 1.00 55.13 H new ATOM 0 HB2 LEU A 388 -2.296 -6.792 -10.255 1.00 43.55 H new ATOM 0 HB3 LEU A 388 -4.011 -6.566 -9.978 1.00 43.55 H new ATOM 0 HG LEU A 388 -3.575 -4.193 -9.376 1.00 64.04 H new ATOM 0 HD11 LEU A 388 -1.426 -3.182 -9.947 1.00 14.35 H new ATOM 0 HD12 LEU A 388 -1.280 -4.370 -8.630 1.00 14.35 H new ATOM 0 HD13 LEU A 388 -0.756 -4.798 -10.276 1.00 14.35 H new ATOM 0 HD21 LEU A 388 -3.141 -3.460 -11.688 1.00 3.41 H new ATOM 0 HD22 LEU A 388 -2.578 -5.099 -12.093 1.00 3.41 H new ATOM 0 HD23 LEU A 388 -4.274 -4.831 -11.627 1.00 3.41 H new ATOM 499 N LEU A 389 -3.282 -5.265 -6.282 1.00 71.04 N ATOM 500 CA LEU A 389 -4.069 -4.574 -5.352 1.00 1.41 C ATOM 501 C LEU A 389 -4.450 -3.226 -5.929 1.00 22.44 C ATOM 502 O LEU A 389 -5.601 -2.984 -6.207 1.00 71.21 O ATOM 503 CB LEU A 389 -3.237 -4.421 -4.120 1.00 23.42 C ATOM 504 CG LEU A 389 -3.933 -4.404 -2.799 1.00 15.20 C ATOM 505 CD1 LEU A 389 -4.961 -3.298 -2.680 1.00 62.44 C ATOM 506 CD2 LEU A 389 -4.513 -5.760 -2.475 1.00 12.41 C ATOM 0 H LEU A 389 -2.284 -5.258 -6.073 1.00 71.04 H new ATOM 0 HA LEU A 389 -4.992 -5.105 -5.117 1.00 1.41 H new ATOM 0 HB2 LEU A 389 -2.512 -5.235 -4.104 1.00 23.42 H new ATOM 0 HB3 LEU A 389 -2.673 -3.493 -4.212 1.00 23.42 H new ATOM 0 HG LEU A 389 -3.176 -4.177 -2.049 1.00 15.20 H new ATOM 0 HD11 LEU A 389 -5.430 -3.341 -1.697 1.00 62.44 H new ATOM 0 HD12 LEU A 389 -4.472 -2.332 -2.807 1.00 62.44 H new ATOM 0 HD13 LEU A 389 -5.722 -3.424 -3.451 1.00 62.44 H new ATOM 0 HD21 LEU A 389 -5.014 -5.720 -1.508 1.00 12.41 H new ATOM 0 HD22 LEU A 389 -5.232 -6.042 -3.245 1.00 12.41 H new ATOM 0 HD23 LEU A 389 -3.712 -6.499 -2.438 1.00 12.41 H new ATOM 514 N GLY A 390 -3.486 -2.370 -6.141 1.00 35.32 N ATOM 515 CA GLY A 390 -3.800 -1.084 -6.667 1.00 22.12 C ATOM 516 C GLY A 390 -2.618 -0.447 -7.296 1.00 35.14 C ATOM 517 O GLY A 390 -1.481 -0.762 -6.949 1.00 63.13 O ATOM 0 H GLY A 390 -2.497 -2.542 -5.959 1.00 35.32 H new ATOM 0 HA2 GLY A 390 -4.599 -1.177 -7.403 1.00 22.12 H new ATOM 0 HA3 GLY A 390 -4.176 -0.445 -5.868 1.00 22.12 H new ATOM 521 N ASN A 391 -2.871 0.416 -8.230 1.00 2.21 N ATOM 522 CA ASN A 391 -1.834 1.152 -8.926 1.00 13.53 C ATOM 523 C ASN A 391 -1.749 2.512 -8.309 1.00 52.24 C ATOM 524 O ASN A 391 -2.766 3.064 -7.897 1.00 33.11 O ATOM 525 CB ASN A 391 -2.169 1.309 -10.426 1.00 42.32 C ATOM 526 CG ASN A 391 -2.177 0.011 -11.243 1.00 34.35 C ATOM 527 OD1 ASN A 391 -2.490 -1.099 -10.630 1.00 21.25 O flip ATOM 528 ND2 ASN A 391 -1.897 0.026 -12.435 1.00 61.14 N flip ATOM 0 H ASN A 391 -3.815 0.640 -8.543 1.00 2.21 H new ATOM 0 HA ASN A 391 -0.892 0.610 -8.842 1.00 13.53 H new ATOM 0 HB2 ASN A 391 -3.149 1.778 -10.514 1.00 42.32 H new ATOM 0 HB3 ASN A 391 -1.447 1.993 -10.871 1.00 42.32 H new ATOM 0 HD21 ASN A 391 -1.656 0.906 -12.891 1.00 61.14 H new ATOM 0 HD22 ASN A 391 -1.905 -0.841 -12.972 1.00 61.14 H new ATOM 534 N PHE A 392 -0.572 3.053 -8.230 1.00 54.33 N ATOM 535 CA PHE A 392 -0.399 4.367 -7.646 1.00 71.34 C ATOM 536 C PHE A 392 -0.926 5.406 -8.597 1.00 44.51 C ATOM 537 O PHE A 392 -0.407 5.565 -9.716 1.00 11.24 O ATOM 538 CB PHE A 392 1.071 4.648 -7.325 1.00 34.13 C ATOM 539 CG PHE A 392 1.678 3.823 -6.211 1.00 12.32 C ATOM 540 CD1 PHE A 392 1.499 2.453 -6.139 1.00 10.32 C ATOM 541 CD2 PHE A 392 2.473 4.433 -5.267 1.00 73.31 C ATOM 542 CE1 PHE A 392 2.101 1.713 -5.152 1.00 24.54 C ATOM 543 CE2 PHE A 392 3.077 3.702 -4.267 1.00 75.11 C ATOM 544 CZ PHE A 392 2.893 2.338 -4.211 1.00 61.20 C ATOM 0 H PHE A 392 0.288 2.614 -8.559 1.00 54.33 H new ATOM 0 HA PHE A 392 -0.955 4.404 -6.709 1.00 71.34 H new ATOM 0 HB2 PHE A 392 1.657 4.487 -8.230 1.00 34.13 H new ATOM 0 HB3 PHE A 392 1.170 5.702 -7.065 1.00 34.13 H new ATOM 0 HD1 PHE A 392 0.877 1.959 -6.870 1.00 10.32 H new ATOM 0 HD2 PHE A 392 2.626 5.501 -5.311 1.00 73.31 H new ATOM 0 HE1 PHE A 392 1.955 0.644 -5.112 1.00 24.54 H new ATOM 0 HE2 PHE A 392 3.692 4.197 -3.530 1.00 75.11 H new ATOM 0 HZ PHE A 392 3.368 1.759 -3.432 1.00 61.20 H new ATOM 554 N ALA A 393 -1.943 6.099 -8.176 1.00 31.03 N ATOM 555 CA ALA A 393 -2.559 7.089 -9.013 1.00 2.32 C ATOM 556 C ALA A 393 -2.305 8.478 -8.479 1.00 65.30 C ATOM 557 O ALA A 393 -1.878 9.372 -9.220 1.00 72.31 O ATOM 558 CB ALA A 393 -4.046 6.818 -9.126 1.00 43.24 C ATOM 0 H ALA A 393 -2.366 5.997 -7.253 1.00 31.03 H new ATOM 0 HA ALA A 393 -2.117 7.030 -10.007 1.00 2.32 H new ATOM 0 HB1 ALA A 393 -4.506 7.574 -9.763 1.00 43.24 H new ATOM 0 HB2 ALA A 393 -4.204 5.831 -9.561 1.00 43.24 H new ATOM 0 HB3 ALA A 393 -4.499 6.854 -8.135 1.00 43.24 H new ATOM 564 N SER A 394 -2.525 8.661 -7.195 1.00 60.05 N ATOM 565 CA SER A 394 -2.331 9.945 -6.576 1.00 21.43 C ATOM 566 C SER A 394 -1.823 9.726 -5.159 1.00 45.50 C ATOM 567 O SER A 394 -2.274 8.805 -4.474 1.00 62.24 O ATOM 568 CB SER A 394 -3.689 10.683 -6.499 1.00 0.14 C ATOM 569 OG SER A 394 -4.342 10.758 -7.777 1.00 53.14 O ATOM 0 H SER A 394 -2.840 7.928 -6.559 1.00 60.05 H new ATOM 0 HA SER A 394 -1.618 10.533 -7.155 1.00 21.43 H new ATOM 0 HB2 SER A 394 -4.339 10.170 -5.791 1.00 0.14 H new ATOM 0 HB3 SER A 394 -3.531 11.691 -6.114 1.00 0.14 H new ATOM 0 HG SER A 394 -5.195 11.230 -7.681 1.00 53.14 H new ATOM 575 N GLN A 395 -0.877 10.522 -4.732 1.00 13.45 N ATOM 576 CA GLN A 395 -0.435 10.488 -3.365 1.00 72.23 C ATOM 577 C GLN A 395 -0.012 11.847 -2.909 1.00 11.44 C ATOM 578 O GLN A 395 0.534 12.639 -3.689 1.00 65.44 O ATOM 579 CB GLN A 395 0.692 9.513 -3.200 1.00 52.54 C ATOM 580 CG GLN A 395 1.848 9.759 -4.124 1.00 21.51 C ATOM 581 CD GLN A 395 2.849 8.668 -4.083 1.00 61.53 C ATOM 582 OE1 GLN A 395 3.790 8.688 -3.313 1.00 23.15 O ATOM 583 NE2 GLN A 395 2.663 7.706 -4.921 1.00 12.21 N ATOM 0 H GLN A 395 -0.396 11.205 -5.317 1.00 13.45 H new ATOM 0 HA GLN A 395 -1.272 10.163 -2.748 1.00 72.23 H new ATOM 0 HB2 GLN A 395 1.047 9.554 -2.170 1.00 52.54 H new ATOM 0 HB3 GLN A 395 0.314 8.504 -3.367 1.00 52.54 H new ATOM 0 HG2 GLN A 395 1.477 9.869 -5.143 1.00 21.51 H new ATOM 0 HG3 GLN A 395 2.329 10.700 -3.856 1.00 21.51 H new ATOM 0 HE21 GLN A 395 1.861 7.726 -5.551 1.00 12.21 H new ATOM 0 HE22 GLN A 395 3.318 6.925 -4.954 1.00 12.21 H new ATOM 591 N GLU A 396 -0.260 12.124 -1.672 1.00 51.42 N ATOM 592 CA GLU A 396 0.117 13.365 -1.114 1.00 4.30 C ATOM 593 C GLU A 396 1.041 13.133 0.051 1.00 4.13 C ATOM 594 O GLU A 396 0.628 12.618 1.097 1.00 3.33 O ATOM 595 CB GLU A 396 -1.111 14.168 -0.694 1.00 23.14 C ATOM 596 CG GLU A 396 -0.781 15.498 -0.045 1.00 61.22 C ATOM 597 CD GLU A 396 -2.003 16.292 0.279 1.00 5.11 C ATOM 598 OE1 GLU A 396 -2.698 15.967 1.267 1.00 21.12 O ATOM 599 OE2 GLU A 396 -2.285 17.275 -0.435 1.00 62.14 O ATOM 0 H GLU A 396 -0.730 11.491 -1.025 1.00 51.42 H new ATOM 0 HA GLU A 396 0.645 13.949 -1.868 1.00 4.30 H new ATOM 0 HB2 GLU A 396 -1.734 14.347 -1.571 1.00 23.14 H new ATOM 0 HB3 GLU A 396 -1.703 13.572 0.001 1.00 23.14 H new ATOM 0 HG2 GLU A 396 -0.212 15.322 0.868 1.00 61.22 H new ATOM 0 HG3 GLU A 396 -0.142 16.076 -0.712 1.00 61.22 H new ATOM 606 N GLY A 397 2.286 13.494 -0.142 1.00 64.55 N ATOM 607 CA GLY A 397 3.287 13.370 0.880 1.00 55.35 C ATOM 608 C GLY A 397 3.555 11.938 1.305 1.00 60.33 C ATOM 609 O GLY A 397 4.203 11.179 0.592 1.00 3.24 O ATOM 0 H GLY A 397 2.632 13.884 -1.019 1.00 64.55 H new ATOM 0 HA2 GLY A 397 4.216 13.812 0.521 1.00 55.35 H new ATOM 0 HA3 GLY A 397 2.976 13.946 1.752 1.00 55.35 H new ATOM 613 N ASN A 398 3.046 11.582 2.456 1.00 62.25 N ATOM 614 CA ASN A 398 3.278 10.273 3.048 1.00 52.05 C ATOM 615 C ASN A 398 1.979 9.492 3.182 1.00 34.44 C ATOM 616 O ASN A 398 1.902 8.506 3.915 1.00 71.30 O ATOM 617 CB ASN A 398 3.981 10.427 4.411 1.00 52.31 C ATOM 618 CG ASN A 398 3.185 11.231 5.433 1.00 73.03 C ATOM 619 OD1 ASN A 398 3.270 12.464 5.470 1.00 72.52 O ATOM 620 ND2 ASN A 398 2.477 10.561 6.290 1.00 44.41 N ATOM 0 H ASN A 398 2.453 12.191 3.020 1.00 62.25 H new ATOM 0 HA ASN A 398 3.930 9.704 2.386 1.00 52.05 H new ATOM 0 HB2 ASN A 398 4.180 9.436 4.819 1.00 52.31 H new ATOM 0 HB3 ASN A 398 4.947 10.909 4.258 1.00 52.31 H new ATOM 0 HD21 ASN A 398 1.967 11.052 7.025 1.00 44.41 H new ATOM 0 HD22 ASN A 398 2.430 9.544 6.229 1.00 44.41 H new ATOM 626 N VAL A 399 0.972 9.909 2.447 1.00 20.42 N ATOM 627 CA VAL A 399 -0.299 9.221 2.429 1.00 25.42 C ATOM 628 C VAL A 399 -0.561 8.922 0.989 1.00 2.33 C ATOM 629 O VAL A 399 -0.695 9.841 0.170 1.00 33.00 O ATOM 630 CB VAL A 399 -1.454 10.082 3.014 1.00 53.34 C ATOM 631 CG1 VAL A 399 -2.757 9.293 3.015 1.00 64.23 C ATOM 632 CG2 VAL A 399 -1.121 10.561 4.426 1.00 3.53 C ATOM 0 H VAL A 399 1.011 10.733 1.846 1.00 20.42 H new ATOM 0 HA VAL A 399 -0.257 8.326 3.050 1.00 25.42 H new ATOM 0 HB VAL A 399 -1.576 10.960 2.379 1.00 53.34 H new ATOM 0 HG11 VAL A 399 -3.555 9.910 3.428 1.00 64.23 H new ATOM 0 HG12 VAL A 399 -3.010 9.007 1.994 1.00 64.23 H new ATOM 0 HG13 VAL A 399 -2.639 8.397 3.624 1.00 64.23 H new ATOM 0 HG21 VAL A 399 -1.946 11.161 4.811 1.00 3.53 H new ATOM 0 HG22 VAL A 399 -0.965 9.699 5.075 1.00 3.53 H new ATOM 0 HG23 VAL A 399 -0.214 11.165 4.401 1.00 3.53 H new ATOM 638 N LEU A 400 -0.610 7.672 0.660 1.00 51.21 N ATOM 639 CA LEU A 400 -0.601 7.299 -0.717 1.00 24.13 C ATOM 640 C LEU A 400 -1.884 6.548 -1.098 1.00 23.21 C ATOM 641 O LEU A 400 -2.340 5.668 -0.351 1.00 24.11 O ATOM 642 CB LEU A 400 0.626 6.401 -0.980 1.00 1.53 C ATOM 643 CG LEU A 400 2.003 6.815 -0.343 1.00 53.04 C ATOM 644 CD1 LEU A 400 3.122 5.911 -0.817 1.00 14.55 C ATOM 645 CD2 LEU A 400 2.369 8.262 -0.588 1.00 2.35 C ATOM 0 H LEU A 400 -0.656 6.896 1.321 1.00 51.21 H new ATOM 0 HA LEU A 400 -0.548 8.201 -1.326 1.00 24.13 H new ATOM 0 HB2 LEU A 400 0.385 5.398 -0.628 1.00 1.53 H new ATOM 0 HB3 LEU A 400 0.765 6.336 -2.059 1.00 1.53 H new ATOM 0 HG LEU A 400 1.874 6.697 0.733 1.00 53.04 H new ATOM 0 HD11 LEU A 400 4.061 6.223 -0.359 1.00 14.55 H new ATOM 0 HD12 LEU A 400 2.904 4.882 -0.532 1.00 14.55 H new ATOM 0 HD13 LEU A 400 3.208 5.977 -1.902 1.00 14.55 H new ATOM 0 HD21 LEU A 400 3.330 8.478 -0.121 1.00 2.35 H new ATOM 0 HD22 LEU A 400 2.438 8.443 -1.661 1.00 2.35 H new ATOM 0 HD23 LEU A 400 1.603 8.909 -0.159 1.00 2.35 H new ATOM 653 N LYS A 401 -2.455 6.893 -2.249 1.00 50.31 N ATOM 654 CA LYS A 401 -3.645 6.220 -2.772 1.00 74.31 C ATOM 655 C LYS A 401 -3.327 5.346 -3.948 1.00 11.42 C ATOM 656 O LYS A 401 -2.759 5.799 -4.962 1.00 61.31 O ATOM 657 CB LYS A 401 -4.774 7.186 -3.156 1.00 32.34 C ATOM 658 CG LYS A 401 -5.738 7.543 -2.043 1.00 64.54 C ATOM 659 CD LYS A 401 -6.426 6.283 -1.513 1.00 72.30 C ATOM 660 CE LYS A 401 -7.608 6.608 -0.619 1.00 14.42 C ATOM 661 NZ LYS A 401 -8.729 7.212 -1.374 1.00 15.01 N ATOM 0 H LYS A 401 -2.109 7.644 -2.845 1.00 50.31 H new ATOM 0 HA LYS A 401 -3.998 5.603 -1.946 1.00 74.31 H new ATOM 0 HB2 LYS A 401 -4.328 8.106 -3.535 1.00 32.34 H new ATOM 0 HB3 LYS A 401 -5.341 6.746 -3.976 1.00 32.34 H new ATOM 0 HG2 LYS A 401 -5.203 8.041 -1.235 1.00 64.54 H new ATOM 0 HG3 LYS A 401 -6.485 8.246 -2.411 1.00 64.54 H new ATOM 0 HD2 LYS A 401 -6.764 5.675 -2.352 1.00 72.30 H new ATOM 0 HD3 LYS A 401 -5.705 5.685 -0.956 1.00 72.30 H new ATOM 0 HE2 LYS A 401 -7.951 5.698 -0.128 1.00 14.42 H new ATOM 0 HE3 LYS A 401 -7.290 7.293 0.167 1.00 14.42 H new ATOM 0 HZ1 LYS A 401 -9.592 7.184 -0.795 1.00 15.01 H new ATOM 0 HZ2 LYS A 401 -8.499 8.199 -1.606 1.00 15.01 H new ATOM 0 HZ3 LYS A 401 -8.884 6.677 -2.252 1.00 15.01 H new ATOM 675 N TYR A 402 -3.685 4.104 -3.824 1.00 11.14 N ATOM 676 CA TYR A 402 -3.486 3.159 -4.887 1.00 35.34 C ATOM 677 C TYR A 402 -4.855 2.687 -5.312 1.00 43.42 C ATOM 678 O TYR A 402 -5.625 2.240 -4.479 1.00 75.05 O ATOM 679 CB TYR A 402 -2.672 1.953 -4.399 1.00 12.32 C ATOM 680 CG TYR A 402 -1.599 2.292 -3.397 1.00 41.52 C ATOM 681 CD1 TYR A 402 -0.673 3.267 -3.648 1.00 42.20 C ATOM 682 CD2 TYR A 402 -1.517 1.613 -2.195 1.00 21.43 C ATOM 683 CE1 TYR A 402 0.301 3.559 -2.739 1.00 75.24 C ATOM 684 CE2 TYR A 402 -0.537 1.909 -1.284 1.00 32.22 C ATOM 685 CZ TYR A 402 0.365 2.879 -1.565 1.00 52.12 C ATOM 686 OH TYR A 402 1.355 3.164 -0.671 1.00 12.32 O ATOM 0 H TYR A 402 -4.122 3.716 -2.988 1.00 11.14 H new ATOM 0 HA TYR A 402 -2.941 3.625 -5.708 1.00 35.34 H new ATOM 0 HB2 TYR A 402 -3.352 1.227 -3.953 1.00 12.32 H new ATOM 0 HB3 TYR A 402 -2.209 1.470 -5.260 1.00 12.32 H new ATOM 0 HD1 TYR A 402 -0.714 3.813 -4.579 1.00 42.20 H new ATOM 0 HD2 TYR A 402 -2.236 0.838 -1.971 1.00 21.43 H new ATOM 0 HE1 TYR A 402 1.023 4.333 -2.953 1.00 75.24 H new ATOM 0 HE2 TYR A 402 -0.484 1.372 -0.348 1.00 32.22 H new ATOM 0 HH TYR A 402 1.792 2.333 -0.391 1.00 12.32 H new ATOM 696 N GLU A 403 -5.165 2.791 -6.573 1.00 72.12 N ATOM 697 CA GLU A 403 -6.483 2.437 -7.066 1.00 33.32 C ATOM 698 C GLU A 403 -6.367 1.718 -8.383 1.00 13.41 C ATOM 699 O GLU A 403 -5.263 1.552 -8.903 1.00 44.53 O ATOM 700 CB GLU A 403 -7.351 3.684 -7.272 1.00 13.14 C ATOM 701 CG GLU A 403 -7.562 4.541 -6.041 1.00 42.34 C ATOM 702 CD GLU A 403 -8.500 5.677 -6.311 1.00 64.22 C ATOM 703 OE1 GLU A 403 -8.067 6.704 -6.889 1.00 75.12 O ATOM 704 OE2 GLU A 403 -9.697 5.561 -5.958 1.00 35.04 O ATOM 0 H GLU A 403 -4.521 3.121 -7.292 1.00 72.12 H new ATOM 0 HA GLU A 403 -6.949 1.792 -6.321 1.00 33.32 H new ATOM 0 HB2 GLU A 403 -6.895 4.299 -8.048 1.00 13.14 H new ATOM 0 HB3 GLU A 403 -8.325 3.370 -7.646 1.00 13.14 H new ATOM 0 HG2 GLU A 403 -7.958 3.926 -5.233 1.00 42.34 H new ATOM 0 HG3 GLU A 403 -6.603 4.933 -5.702 1.00 42.34 H new ATOM 711 N ASN A 404 -7.504 1.264 -8.899 1.00 71.21 N ATOM 712 CA ASN A 404 -7.599 0.670 -10.238 1.00 55.30 C ATOM 713 C ASN A 404 -6.818 -0.629 -10.355 1.00 42.12 C ATOM 714 O ASN A 404 -6.312 -0.964 -11.427 1.00 1.22 O ATOM 715 CB ASN A 404 -7.144 1.676 -11.322 1.00 0.34 C ATOM 716 CG ASN A 404 -7.978 2.955 -11.381 1.00 64.21 C ATOM 717 OD1 ASN A 404 -9.237 2.878 -11.006 1.00 51.34 O flip ATOM 718 ND2 ASN A 404 -7.477 4.018 -11.755 1.00 13.31 N flip ATOM 0 H ASN A 404 -8.394 1.296 -8.401 1.00 71.21 H new ATOM 0 HA ASN A 404 -8.650 0.429 -10.400 1.00 55.30 H new ATOM 0 HB2 ASN A 404 -6.103 1.943 -11.140 1.00 0.34 H new ATOM 0 HB3 ASN A 404 -7.182 1.186 -12.295 1.00 0.34 H new ATOM 0 HD21 ASN A 404 -6.498 4.048 -12.040 1.00 13.31 H new ATOM 0 HD22 ASN A 404 -8.042 4.867 -11.779 1.00 13.31 H new ATOM 724 N GLY A 405 -6.764 -1.380 -9.268 1.00 53.31 N ATOM 725 CA GLY A 405 -6.086 -2.659 -9.284 1.00 25.01 C ATOM 726 C GLY A 405 -6.897 -3.758 -9.971 1.00 73.14 C ATOM 727 O GLY A 405 -7.575 -3.517 -10.968 1.00 41.23 O ATOM 0 H GLY A 405 -7.179 -1.126 -8.371 1.00 53.31 H new ATOM 0 HA2 GLY A 405 -5.129 -2.550 -9.793 1.00 25.01 H new ATOM 0 HA3 GLY A 405 -5.869 -2.962 -8.260 1.00 25.01 H new ATOM 731 N GLN A 406 -6.847 -4.946 -9.430 1.00 11.12 N ATOM 732 CA GLN A 406 -7.518 -6.091 -10.012 1.00 51.53 C ATOM 733 C GLN A 406 -9.020 -5.988 -9.668 1.00 24.41 C ATOM 734 O GLN A 406 -9.378 -5.520 -8.580 1.00 22.32 O ATOM 735 CB GLN A 406 -6.862 -7.366 -9.422 1.00 64.04 C ATOM 736 CG GLN A 406 -6.967 -8.662 -10.236 1.00 32.22 C ATOM 737 CD GLN A 406 -8.346 -9.230 -10.365 1.00 73.22 C ATOM 738 OE1 GLN A 406 -9.078 -8.923 -11.295 1.00 1.52 O ATOM 739 NE2 GLN A 406 -8.704 -10.075 -9.447 1.00 44.11 N ATOM 0 H GLN A 406 -6.339 -5.154 -8.570 1.00 11.12 H new ATOM 0 HA GLN A 406 -7.425 -6.128 -11.097 1.00 51.53 H new ATOM 0 HB2 GLN A 406 -5.805 -7.156 -9.261 1.00 64.04 H new ATOM 0 HB3 GLN A 406 -7.304 -7.548 -8.442 1.00 64.04 H new ATOM 0 HG2 GLN A 406 -6.574 -8.476 -11.236 1.00 32.22 H new ATOM 0 HG3 GLN A 406 -6.325 -9.413 -9.776 1.00 32.22 H new ATOM 0 HE21 GLN A 406 -8.063 -10.304 -8.687 1.00 44.11 H new ATOM 0 HE22 GLN A 406 -9.626 -10.510 -9.485 1.00 44.11 H new ATOM 747 N SER A 407 -9.872 -6.365 -10.603 1.00 31.34 N ATOM 748 CA SER A 407 -11.316 -6.314 -10.430 1.00 4.23 C ATOM 749 C SER A 407 -11.779 -7.199 -9.266 1.00 4.33 C ATOM 750 O SER A 407 -11.337 -8.343 -9.111 1.00 3.23 O ATOM 751 CB SER A 407 -12.000 -6.722 -11.726 1.00 32.22 C ATOM 752 OG SER A 407 -11.609 -5.859 -12.782 1.00 13.14 O ATOM 0 H SER A 407 -9.580 -6.719 -11.514 1.00 31.34 H new ATOM 0 HA SER A 407 -11.596 -5.290 -10.183 1.00 4.23 H new ATOM 0 HB2 SER A 407 -11.741 -7.751 -11.974 1.00 32.22 H new ATOM 0 HB3 SER A 407 -13.082 -6.687 -11.601 1.00 32.22 H new ATOM 0 HG SER A 407 -11.162 -5.070 -12.411 1.00 13.14 H new ATOM 758 N CYS A 408 -12.646 -6.661 -8.459 1.00 4.22 N ATOM 759 CA CYS A 408 -13.132 -7.318 -7.273 1.00 74.31 C ATOM 760 C CYS A 408 -14.645 -7.227 -7.198 1.00 42.05 C ATOM 761 O CYS A 408 -15.256 -6.377 -7.866 1.00 12.33 O ATOM 762 CB CYS A 408 -12.536 -6.614 -6.091 1.00 32.34 C ATOM 763 SG CYS A 408 -12.846 -4.825 -6.150 1.00 15.11 S ATOM 0 H CYS A 408 -13.045 -5.734 -8.607 1.00 4.22 H new ATOM 0 HA CYS A 408 -12.852 -8.371 -7.288 1.00 74.31 H new ATOM 0 HB2 CYS A 408 -12.954 -7.026 -5.173 1.00 32.34 H new ATOM 0 HB3 CYS A 408 -11.462 -6.797 -6.062 1.00 32.34 H new ATOM 768 N TRP A 409 -15.253 -8.112 -6.426 1.00 45.52 N ATOM 769 CA TRP A 409 -16.677 -8.067 -6.191 1.00 32.11 C ATOM 770 C TRP A 409 -17.076 -6.830 -5.390 1.00 42.22 C ATOM 771 O TRP A 409 -16.383 -6.440 -4.441 1.00 60.43 O ATOM 772 CB TRP A 409 -17.187 -9.347 -5.481 1.00 64.33 C ATOM 773 CG TRP A 409 -18.611 -9.228 -5.008 1.00 10.24 C ATOM 774 CD1 TRP A 409 -19.035 -9.131 -3.718 1.00 22.52 C ATOM 775 CD2 TRP A 409 -19.780 -9.145 -5.823 1.00 4.02 C ATOM 776 NE1 TRP A 409 -20.399 -8.998 -3.682 1.00 72.25 N ATOM 777 CE2 TRP A 409 -20.880 -9.004 -4.961 1.00 24.05 C ATOM 778 CE3 TRP A 409 -19.998 -9.175 -7.194 1.00 64.53 C ATOM 779 CZ2 TRP A 409 -22.183 -8.896 -5.430 1.00 0.14 C ATOM 780 CZ3 TRP A 409 -21.287 -9.070 -7.661 1.00 20.14 C ATOM 781 CH2 TRP A 409 -22.368 -8.928 -6.783 1.00 5.43 C ATOM 0 H TRP A 409 -14.773 -8.875 -5.950 1.00 45.52 H new ATOM 0 HA TRP A 409 -17.150 -8.011 -7.171 1.00 32.11 H new ATOM 0 HB2 TRP A 409 -17.106 -10.192 -6.165 1.00 64.33 H new ATOM 0 HB3 TRP A 409 -16.543 -9.564 -4.628 1.00 64.33 H new ATOM 0 HD1 TRP A 409 -18.392 -9.155 -2.851 1.00 22.52 H new ATOM 0 HE1 TRP A 409 -20.964 -8.909 -2.837 1.00 72.25 H new ATOM 0 HE3 TRP A 409 -19.171 -9.279 -7.881 1.00 64.53 H new ATOM 0 HZ2 TRP A 409 -23.017 -8.791 -4.752 1.00 0.14 H new ATOM 0 HZ3 TRP A 409 -21.469 -9.098 -8.725 1.00 20.14 H new ATOM 0 HH2 TRP A 409 -23.367 -8.842 -7.183 1.00 5.43 H new ATOM 792 N ASN A 410 -18.180 -6.214 -5.826 1.00 11.53 N ATOM 793 CA ASN A 410 -18.850 -5.082 -5.170 1.00 13.11 C ATOM 794 C ASN A 410 -18.166 -3.742 -5.472 1.00 23.33 C ATOM 795 O ASN A 410 -18.824 -2.696 -5.513 1.00 12.45 O ATOM 796 CB ASN A 410 -19.032 -5.326 -3.652 1.00 12.42 C ATOM 797 CG ASN A 410 -19.915 -4.292 -2.958 1.00 51.13 C ATOM 798 OD1 ASN A 410 -19.447 -3.265 -2.468 1.00 0.54 O ATOM 799 ND2 ASN A 410 -21.196 -4.584 -2.872 1.00 50.10 N ATOM 0 H ASN A 410 -18.653 -6.502 -6.683 1.00 11.53 H new ATOM 0 HA ASN A 410 -19.849 -5.013 -5.600 1.00 13.11 H new ATOM 0 HB2 ASN A 410 -19.463 -6.316 -3.503 1.00 12.42 H new ATOM 0 HB3 ASN A 410 -18.052 -5.330 -3.175 1.00 12.42 H new ATOM 0 HD21 ASN A 410 -21.832 -3.950 -2.388 1.00 50.10 H new ATOM 0 HD22 ASN A 410 -21.552 -5.444 -3.289 1.00 50.10 H new ATOM 805 N GLY A 411 -16.868 -3.773 -5.696 1.00 51.13 N ATOM 806 CA GLY A 411 -16.132 -2.579 -6.045 1.00 53.23 C ATOM 807 C GLY A 411 -15.727 -2.592 -7.508 1.00 14.40 C ATOM 808 O GLY A 411 -15.956 -3.590 -8.205 1.00 33.34 O ATOM 0 H GLY A 411 -16.300 -4.618 -5.642 1.00 51.13 H new ATOM 0 HA2 GLY A 411 -16.743 -1.700 -5.842 1.00 53.23 H new ATOM 0 HA3 GLY A 411 -15.243 -2.501 -5.419 1.00 53.23 H new ATOM 812 N PRO A 412 -15.134 -1.507 -8.021 1.00 62.41 N ATOM 813 CA PRO A 412 -14.736 -1.448 -9.420 1.00 0.44 C ATOM 814 C PRO A 412 -13.419 -2.191 -9.671 1.00 12.41 C ATOM 815 O PRO A 412 -13.275 -2.919 -10.657 1.00 12.43 O ATOM 816 CB PRO A 412 -14.566 0.057 -9.673 1.00 53.21 C ATOM 817 CG PRO A 412 -14.261 0.661 -8.336 1.00 11.42 C ATOM 818 CD PRO A 412 -14.835 -0.264 -7.284 1.00 2.55 C ATOM 0 HA PRO A 412 -15.462 -1.922 -10.080 1.00 0.44 H new ATOM 0 HB2 PRO A 412 -13.759 0.246 -10.381 1.00 53.21 H new ATOM 0 HB3 PRO A 412 -15.472 0.487 -10.099 1.00 53.21 H new ATOM 0 HG2 PRO A 412 -13.185 0.775 -8.202 1.00 11.42 H new ATOM 0 HG3 PRO A 412 -14.700 1.655 -8.254 1.00 11.42 H new ATOM 0 HD2 PRO A 412 -14.123 -0.440 -6.477 1.00 2.55 H new ATOM 0 HD3 PRO A 412 -15.733 0.156 -6.831 1.00 2.55 H new ATOM 826 N HIS A 413 -12.496 -2.031 -8.749 1.00 61.22 N ATOM 827 CA HIS A 413 -11.175 -2.639 -8.751 1.00 42.11 C ATOM 828 C HIS A 413 -10.683 -2.508 -7.348 1.00 15.50 C ATOM 829 O HIS A 413 -11.245 -1.706 -6.587 1.00 75.42 O ATOM 830 CB HIS A 413 -10.159 -1.886 -9.661 1.00 52.33 C ATOM 831 CG HIS A 413 -10.462 -1.859 -11.128 1.00 53.43 C ATOM 832 ND1 HIS A 413 -10.131 -2.872 -11.989 1.00 63.14 N ATOM 833 CD2 HIS A 413 -11.082 -0.927 -11.877 1.00 50.11 C ATOM 834 CE1 HIS A 413 -10.536 -2.571 -13.190 1.00 53.32 C ATOM 835 NE2 HIS A 413 -11.120 -1.392 -13.157 1.00 61.03 N ATOM 0 H HIS A 413 -12.651 -1.442 -7.931 1.00 61.22 H new ATOM 0 HA HIS A 413 -11.251 -3.662 -9.120 1.00 42.11 H new ATOM 0 HB2 HIS A 413 -10.085 -0.857 -9.310 1.00 52.33 H new ATOM 0 HB3 HIS A 413 -9.178 -2.341 -9.524 1.00 52.33 H new ATOM 0 HD1 HIS A 413 -9.643 -3.729 -11.730 1.00 63.14 H new ATOM 0 HD2 HIS A 413 -11.476 0.016 -11.527 1.00 50.11 H new ATOM 0 HE1 HIS A 413 -10.413 -3.187 -14.068 1.00 53.32 H new ATOM 844 N ARG A 414 -9.685 -3.264 -6.972 1.00 60.34 N ATOM 845 CA ARG A 414 -9.110 -3.084 -5.671 1.00 62.32 C ATOM 846 C ARG A 414 -8.363 -1.778 -5.571 1.00 52.42 C ATOM 847 O ARG A 414 -7.917 -1.197 -6.591 1.00 34.44 O ATOM 848 CB ARG A 414 -8.241 -4.251 -5.210 1.00 22.10 C ATOM 849 CG ARG A 414 -9.018 -5.481 -4.805 1.00 30.14 C ATOM 850 CD ARG A 414 -8.092 -6.588 -4.327 1.00 41.33 C ATOM 851 NE ARG A 414 -8.842 -7.755 -3.866 1.00 2.12 N ATOM 852 CZ ARG A 414 -8.336 -8.809 -3.215 1.00 30.04 C ATOM 853 NH1 ARG A 414 -7.034 -8.856 -2.907 1.00 75.12 N ATOM 854 NH2 ARG A 414 -9.139 -9.805 -2.853 1.00 43.30 N ATOM 0 H ARG A 414 -9.261 -3.998 -7.539 1.00 60.34 H new ATOM 0 HA ARG A 414 -9.956 -3.053 -4.984 1.00 62.32 H new ATOM 0 HB2 ARG A 414 -7.554 -4.517 -6.014 1.00 22.10 H new ATOM 0 HB3 ARG A 414 -7.633 -3.925 -4.366 1.00 22.10 H new ATOM 0 HG2 ARG A 414 -9.721 -5.225 -4.012 1.00 30.14 H new ATOM 0 HG3 ARG A 414 -9.607 -5.836 -5.651 1.00 30.14 H new ATOM 0 HD2 ARG A 414 -7.425 -6.881 -5.138 1.00 41.33 H new ATOM 0 HD3 ARG A 414 -7.465 -6.215 -3.517 1.00 41.33 H new ATOM 0 HE ARG A 414 -9.844 -7.767 -4.058 1.00 2.12 H new ATOM 0 HH11 ARG A 414 -6.420 -8.085 -3.169 1.00 75.12 H new ATOM 0 HH12 ARG A 414 -6.656 -9.663 -2.411 1.00 75.12 H new ATOM 0 HH21 ARG A 414 -10.134 -9.763 -3.072 1.00 43.30 H new ATOM 0 HH22 ARG A 414 -8.760 -10.611 -2.357 1.00 43.30 H new ATOM 866 N SER A 415 -8.237 -1.320 -4.371 1.00 52.22 N ATOM 867 CA SER A 415 -7.590 -0.105 -4.077 1.00 52.32 C ATOM 868 C SER A 415 -7.126 -0.123 -2.626 1.00 55.02 C ATOM 869 O SER A 415 -7.638 -0.898 -1.820 1.00 32.40 O ATOM 870 CB SER A 415 -8.537 1.074 -4.378 1.00 51.24 C ATOM 871 OG SER A 415 -9.808 0.888 -3.755 1.00 51.24 O ATOM 0 H SER A 415 -8.596 -1.803 -3.548 1.00 52.22 H new ATOM 0 HA SER A 415 -6.708 0.021 -4.705 1.00 52.32 H new ATOM 0 HB2 SER A 415 -8.089 2.003 -4.025 1.00 51.24 H new ATOM 0 HB3 SER A 415 -8.668 1.172 -5.456 1.00 51.24 H new ATOM 0 HG SER A 415 -10.388 1.651 -3.961 1.00 51.24 H new ATOM 877 N ALA A 416 -6.174 0.693 -2.297 1.00 52.44 N ATOM 878 CA ALA A 416 -5.643 0.721 -0.978 1.00 25.21 C ATOM 879 C ALA A 416 -5.066 2.066 -0.670 1.00 74.31 C ATOM 880 O ALA A 416 -4.588 2.774 -1.556 1.00 64.50 O ATOM 881 CB ALA A 416 -4.584 -0.350 -0.806 1.00 22.04 C ATOM 0 H ALA A 416 -5.745 1.359 -2.940 1.00 52.44 H new ATOM 0 HA ALA A 416 -6.458 0.523 -0.281 1.00 25.21 H new ATOM 0 HB1 ALA A 416 -4.190 -0.312 0.210 1.00 22.04 H new ATOM 0 HB2 ALA A 416 -5.025 -1.330 -0.988 1.00 22.04 H new ATOM 0 HB3 ALA A 416 -3.775 -0.179 -1.516 1.00 22.04 H new ATOM 887 N ILE A 417 -5.134 2.418 0.560 1.00 72.43 N ATOM 888 CA ILE A 417 -4.553 3.623 1.035 1.00 64.15 C ATOM 889 C ILE A 417 -3.492 3.307 2.084 1.00 30.44 C ATOM 890 O ILE A 417 -3.752 2.616 3.082 1.00 52.11 O ATOM 891 CB ILE A 417 -5.608 4.620 1.600 1.00 23.12 C ATOM 892 CG1 ILE A 417 -4.917 5.910 2.067 1.00 23.32 C ATOM 893 CG2 ILE A 417 -6.461 3.992 2.702 1.00 74.50 C ATOM 894 CD1 ILE A 417 -5.842 6.942 2.683 1.00 41.52 C ATOM 0 H ILE A 417 -5.603 1.869 1.280 1.00 72.43 H new ATOM 0 HA ILE A 417 -4.088 4.118 0.183 1.00 64.15 H new ATOM 0 HB ILE A 417 -6.299 4.876 0.796 1.00 23.12 H new ATOM 0 HG12 ILE A 417 -4.149 5.650 2.796 1.00 23.32 H new ATOM 0 HG13 ILE A 417 -4.408 6.361 1.215 1.00 23.32 H new ATOM 0 HG21 ILE A 417 -7.182 4.724 3.066 1.00 74.50 H new ATOM 0 HG22 ILE A 417 -6.991 3.127 2.303 1.00 74.50 H new ATOM 0 HG23 ILE A 417 -5.819 3.676 3.524 1.00 74.50 H new ATOM 0 HD11 ILE A 417 -5.264 7.817 2.982 1.00 41.52 H new ATOM 0 HD12 ILE A 417 -6.596 7.237 1.953 1.00 41.52 H new ATOM 0 HD13 ILE A 417 -6.332 6.515 3.558 1.00 41.52 H new ATOM 901 N VAL A 418 -2.313 3.772 1.847 1.00 31.00 N ATOM 902 CA VAL A 418 -1.220 3.572 2.754 1.00 25.53 C ATOM 903 C VAL A 418 -0.833 4.858 3.433 1.00 10.55 C ATOM 904 O VAL A 418 -0.672 5.899 2.787 1.00 1.32 O ATOM 905 CB VAL A 418 0.014 2.916 2.054 1.00 40.53 C ATOM 906 CG1 VAL A 418 1.287 3.193 2.796 1.00 65.30 C ATOM 907 CG2 VAL A 418 -0.157 1.426 1.999 1.00 20.22 C ATOM 0 H VAL A 418 -2.072 4.307 1.013 1.00 31.00 H new ATOM 0 HA VAL A 418 -1.565 2.875 3.517 1.00 25.53 H new ATOM 0 HB VAL A 418 0.074 3.345 1.054 1.00 40.53 H new ATOM 0 HG11 VAL A 418 2.121 2.720 2.277 1.00 65.30 H new ATOM 0 HG12 VAL A 418 1.453 4.269 2.844 1.00 65.30 H new ATOM 0 HG13 VAL A 418 1.214 2.792 3.807 1.00 65.30 H new ATOM 0 HG21 VAL A 418 0.708 0.978 1.510 1.00 20.22 H new ATOM 0 HG22 VAL A 418 -0.245 1.032 3.012 1.00 20.22 H new ATOM 0 HG23 VAL A 418 -1.058 1.184 1.436 1.00 20.22 H new ATOM 913 N THR A 419 -0.718 4.791 4.722 1.00 3.33 N ATOM 914 CA THR A 419 -0.232 5.872 5.483 1.00 64.45 C ATOM 915 C THR A 419 1.149 5.519 5.981 1.00 12.45 C ATOM 916 O THR A 419 1.325 4.567 6.754 1.00 41.11 O ATOM 917 CB THR A 419 -1.169 6.219 6.662 1.00 52.11 C ATOM 918 OG1 THR A 419 -1.523 5.032 7.395 1.00 42.45 O ATOM 919 CG2 THR A 419 -2.422 6.933 6.178 1.00 10.43 C ATOM 0 H THR A 419 -0.965 3.968 5.272 1.00 3.33 H new ATOM 0 HA THR A 419 -0.190 6.760 4.852 1.00 64.45 H new ATOM 0 HB THR A 419 -0.630 6.894 7.327 1.00 52.11 H new ATOM 0 HG1 THR A 419 -0.792 4.382 7.338 1.00 42.45 H new ATOM 0 HG21 THR A 419 -3.061 7.164 7.030 1.00 10.43 H new ATOM 0 HG22 THR A 419 -2.142 7.858 5.673 1.00 10.43 H new ATOM 0 HG23 THR A 419 -2.962 6.290 5.483 1.00 10.43 H new ATOM 925 N VAL A 420 2.119 6.247 5.523 1.00 74.05 N ATOM 926 CA VAL A 420 3.479 6.001 5.891 1.00 65.15 C ATOM 927 C VAL A 420 3.835 7.001 6.957 1.00 24.42 C ATOM 928 O VAL A 420 3.824 8.191 6.714 1.00 24.21 O ATOM 929 CB VAL A 420 4.438 6.195 4.682 1.00 54.45 C ATOM 930 CG1 VAL A 420 5.848 5.806 5.048 1.00 21.15 C ATOM 931 CG2 VAL A 420 3.968 5.417 3.465 1.00 22.53 C ATOM 0 H VAL A 420 1.990 7.030 4.882 1.00 74.05 H new ATOM 0 HA VAL A 420 3.583 4.973 6.239 1.00 65.15 H new ATOM 0 HB VAL A 420 4.427 7.254 4.423 1.00 54.45 H new ATOM 0 HG11 VAL A 420 6.500 5.950 4.187 1.00 21.15 H new ATOM 0 HG12 VAL A 420 6.194 6.428 5.874 1.00 21.15 H new ATOM 0 HG13 VAL A 420 5.870 4.758 5.349 1.00 21.15 H new ATOM 0 HG21 VAL A 420 4.663 5.577 2.640 1.00 22.53 H new ATOM 0 HG22 VAL A 420 3.928 4.355 3.705 1.00 22.53 H new ATOM 0 HG23 VAL A 420 2.975 5.761 3.175 1.00 22.53 H new ATOM 937 N GLU A 421 4.097 6.524 8.136 1.00 35.11 N ATOM 938 CA GLU A 421 4.390 7.404 9.245 1.00 71.24 C ATOM 939 C GLU A 421 5.791 7.157 9.764 1.00 13.11 C ATOM 940 O GLU A 421 6.538 6.385 9.179 1.00 24.53 O ATOM 941 CB GLU A 421 3.367 7.197 10.341 1.00 54.11 C ATOM 942 CG GLU A 421 1.948 7.400 9.871 1.00 70.51 C ATOM 943 CD GLU A 421 0.954 7.191 10.953 1.00 62.42 C ATOM 944 OE1 GLU A 421 0.687 6.031 11.312 1.00 24.23 O ATOM 945 OE2 GLU A 421 0.404 8.175 11.461 1.00 30.21 O ATOM 0 H GLU A 421 4.116 5.530 8.363 1.00 35.11 H new ATOM 0 HA GLU A 421 4.337 8.438 8.904 1.00 71.24 H new ATOM 0 HB2 GLU A 421 3.470 6.188 10.741 1.00 54.11 H new ATOM 0 HB3 GLU A 421 3.575 7.887 11.159 1.00 54.11 H new ATOM 0 HG2 GLU A 421 1.841 8.410 9.474 1.00 70.51 H new ATOM 0 HG3 GLU A 421 1.738 6.712 9.052 1.00 70.51 H new ATOM 952 N CYS A 422 6.137 7.806 10.849 1.00 63.03 N ATOM 953 CA CYS A 422 7.464 7.700 11.434 1.00 22.40 C ATOM 954 C CYS A 422 7.786 6.271 11.843 1.00 64.45 C ATOM 955 O CYS A 422 7.024 5.626 12.565 1.00 75.42 O ATOM 956 CB CYS A 422 7.558 8.625 12.652 1.00 4.42 C ATOM 957 SG CYS A 422 9.124 8.519 13.616 1.00 22.12 S ATOM 0 H CYS A 422 5.508 8.427 11.358 1.00 63.03 H new ATOM 0 HA CYS A 422 8.192 8.000 10.681 1.00 22.40 H new ATOM 0 HB2 CYS A 422 7.429 9.654 12.315 1.00 4.42 H new ATOM 0 HB3 CYS A 422 6.726 8.402 13.320 1.00 4.42 H new ATOM 962 N GLY A 423 8.912 5.796 11.389 1.00 74.40 N ATOM 963 CA GLY A 423 9.357 4.482 11.743 1.00 73.30 C ATOM 964 C GLY A 423 10.832 4.377 11.606 1.00 60.54 C ATOM 965 O GLY A 423 11.489 5.354 11.237 1.00 42.14 O ATOM 0 H GLY A 423 9.541 6.306 10.768 1.00 74.40 H new ATOM 0 HA2 GLY A 423 9.064 4.257 12.769 1.00 73.30 H new ATOM 0 HA3 GLY A 423 8.873 3.743 11.104 1.00 73.30 H new ATOM 969 N VAL A 424 11.370 3.228 11.892 1.00 32.12 N ATOM 970 CA VAL A 424 12.791 3.013 11.756 1.00 0.24 C ATOM 971 C VAL A 424 13.082 2.534 10.350 1.00 72.31 C ATOM 972 O VAL A 424 14.098 2.902 9.738 1.00 10.32 O ATOM 973 CB VAL A 424 13.320 1.974 12.782 1.00 3.11 C ATOM 974 CG1 VAL A 424 14.824 1.774 12.634 1.00 42.12 C ATOM 975 CG2 VAL A 424 12.983 2.410 14.200 1.00 32.52 C ATOM 0 H VAL A 424 10.847 2.417 12.223 1.00 32.12 H new ATOM 0 HA VAL A 424 13.300 3.957 11.952 1.00 0.24 H new ATOM 0 HB VAL A 424 12.830 1.022 12.581 1.00 3.11 H new ATOM 0 HG11 VAL A 424 15.167 1.042 13.365 1.00 42.12 H new ATOM 0 HG12 VAL A 424 15.046 1.416 11.629 1.00 42.12 H new ATOM 0 HG13 VAL A 424 15.335 2.722 12.803 1.00 42.12 H new ATOM 0 HG21 VAL A 424 13.360 1.671 14.907 1.00 32.52 H new ATOM 0 HG22 VAL A 424 13.445 3.376 14.403 1.00 32.52 H new ATOM 0 HG23 VAL A 424 11.902 2.495 14.307 1.00 32.52 H new ATOM 981 N GLU A 425 12.173 1.758 9.824 1.00 23.13 N ATOM 982 CA GLU A 425 12.320 1.196 8.523 1.00 65.52 C ATOM 983 C GLU A 425 10.982 1.145 7.838 1.00 43.24 C ATOM 984 O GLU A 425 9.940 1.105 8.491 1.00 33.45 O ATOM 985 CB GLU A 425 12.937 -0.203 8.633 1.00 72.32 C ATOM 986 CG GLU A 425 13.186 -0.890 7.307 1.00 62.41 C ATOM 987 CD GLU A 425 13.857 -2.223 7.474 1.00 10.43 C ATOM 988 OE1 GLU A 425 13.164 -3.234 7.653 1.00 53.25 O ATOM 989 OE2 GLU A 425 15.108 -2.275 7.431 1.00 11.33 O ATOM 0 H GLU A 425 11.306 1.501 10.296 1.00 23.13 H new ATOM 0 HA GLU A 425 12.986 1.819 7.926 1.00 65.52 H new ATOM 0 HB2 GLU A 425 13.882 -0.127 9.171 1.00 72.32 H new ATOM 0 HB3 GLU A 425 12.278 -0.830 9.234 1.00 72.32 H new ATOM 0 HG2 GLU A 425 12.238 -1.025 6.787 1.00 62.41 H new ATOM 0 HG3 GLU A 425 13.806 -0.250 6.679 1.00 62.41 H new ATOM 996 N ASN A 426 11.026 1.205 6.535 1.00 42.33 N ATOM 997 CA ASN A 426 9.866 1.082 5.696 1.00 42.43 C ATOM 998 C ASN A 426 9.327 -0.344 5.732 1.00 24.11 C ATOM 999 O ASN A 426 9.821 -1.241 5.058 1.00 14.02 O ATOM 1000 CB ASN A 426 10.194 1.539 4.270 1.00 52.23 C ATOM 1001 CG ASN A 426 11.584 1.093 3.826 1.00 3.34 C ATOM 1002 OD1 ASN A 426 12.558 1.845 3.964 1.00 24.43 O ATOM 1003 ND2 ASN A 426 11.709 -0.119 3.381 1.00 42.42 N ATOM 0 H ASN A 426 11.892 1.344 6.014 1.00 42.33 H new ATOM 0 HA ASN A 426 9.078 1.732 6.077 1.00 42.43 H new ATOM 0 HB2 ASN A 426 9.449 1.139 3.582 1.00 52.23 H new ATOM 0 HB3 ASN A 426 10.128 2.626 4.215 1.00 52.23 H new ATOM 0 HD21 ASN A 426 12.631 -0.479 3.133 1.00 42.42 H new ATOM 0 HD22 ASN A 426 10.886 -0.712 3.279 1.00 42.42 H new ATOM 1009 N GLU A 427 8.337 -0.530 6.541 1.00 3.41 N ATOM 1010 CA GLU A 427 7.761 -1.824 6.795 1.00 1.01 C ATOM 1011 C GLU A 427 6.244 -1.745 6.694 1.00 35.30 C ATOM 1012 O GLU A 427 5.651 -0.682 6.966 1.00 40.15 O ATOM 1013 CB GLU A 427 8.171 -2.262 8.212 1.00 1.23 C ATOM 1014 CG GLU A 427 7.672 -3.625 8.628 1.00 12.34 C ATOM 1015 CD GLU A 427 8.222 -4.720 7.774 1.00 41.14 C ATOM 1016 OE1 GLU A 427 7.642 -4.997 6.721 1.00 54.41 O ATOM 1017 OE2 GLU A 427 9.255 -5.325 8.157 1.00 50.13 O ATOM 0 H GLU A 427 7.890 0.226 7.060 1.00 3.41 H new ATOM 0 HA GLU A 427 8.118 -2.546 6.061 1.00 1.01 H new ATOM 0 HB2 GLU A 427 9.259 -2.254 8.278 1.00 1.23 H new ATOM 0 HB3 GLU A 427 7.803 -1.524 8.925 1.00 1.23 H new ATOM 0 HG2 GLU A 427 7.945 -3.807 9.667 1.00 12.34 H new ATOM 0 HG3 GLU A 427 6.583 -3.641 8.577 1.00 12.34 H new ATOM 1024 N ILE A 428 5.617 -2.841 6.285 1.00 10.22 N ATOM 1025 CA ILE A 428 4.178 -2.904 6.246 1.00 54.41 C ATOM 1026 C ILE A 428 3.740 -3.286 7.641 1.00 23.42 C ATOM 1027 O ILE A 428 4.126 -4.348 8.150 1.00 21.40 O ATOM 1028 CB ILE A 428 3.652 -4.006 5.289 1.00 11.10 C ATOM 1029 CG1 ILE A 428 4.302 -3.921 3.900 1.00 51.34 C ATOM 1030 CG2 ILE A 428 2.133 -3.891 5.169 1.00 23.30 C ATOM 1031 CD1 ILE A 428 4.025 -2.637 3.164 1.00 34.12 C ATOM 0 H ILE A 428 6.089 -3.692 5.978 1.00 10.22 H new ATOM 0 HA ILE A 428 3.792 -1.946 5.899 1.00 54.41 H new ATOM 0 HB ILE A 428 3.919 -4.975 5.711 1.00 11.10 H new ATOM 0 HG12 ILE A 428 5.380 -4.039 4.008 1.00 51.34 H new ATOM 0 HG13 ILE A 428 3.949 -4.756 3.295 1.00 51.34 H new ATOM 0 HG21 ILE A 428 1.762 -4.665 4.497 1.00 23.30 H new ATOM 0 HG22 ILE A 428 1.680 -4.016 6.152 1.00 23.30 H new ATOM 0 HG23 ILE A 428 1.873 -2.910 4.772 1.00 23.30 H new ATOM 0 HD11 ILE A 428 4.520 -2.660 2.193 1.00 34.12 H new ATOM 0 HD12 ILE A 428 2.950 -2.525 3.020 1.00 34.12 H new ATOM 0 HD13 ILE A 428 4.403 -1.796 3.745 1.00 34.12 H new ATOM 1038 N VAL A 429 2.989 -2.450 8.250 1.00 64.42 N ATOM 1039 CA VAL A 429 2.536 -2.675 9.595 1.00 52.01 C ATOM 1040 C VAL A 429 1.297 -3.556 9.629 1.00 14.32 C ATOM 1041 O VAL A 429 1.268 -4.571 10.328 1.00 13.12 O ATOM 1042 CB VAL A 429 2.259 -1.326 10.302 1.00 2.42 C ATOM 1043 CG1 VAL A 429 1.551 -1.519 11.629 1.00 53.24 C ATOM 1044 CG2 VAL A 429 3.553 -0.555 10.496 1.00 70.04 C ATOM 0 H VAL A 429 2.660 -1.577 7.837 1.00 64.42 H new ATOM 0 HA VAL A 429 3.329 -3.199 10.129 1.00 52.01 H new ATOM 0 HB VAL A 429 1.595 -0.748 9.659 1.00 2.42 H new ATOM 0 HG11 VAL A 429 1.375 -0.548 12.092 1.00 53.24 H new ATOM 0 HG12 VAL A 429 0.597 -2.020 11.463 1.00 53.24 H new ATOM 0 HG13 VAL A 429 2.171 -2.128 12.287 1.00 53.24 H new ATOM 0 HG21 VAL A 429 3.342 0.391 10.994 1.00 70.04 H new ATOM 0 HG22 VAL A 429 4.238 -1.142 11.108 1.00 70.04 H new ATOM 0 HG23 VAL A 429 4.009 -0.360 9.526 1.00 70.04 H new ATOM 1050 N SER A 430 0.304 -3.201 8.854 1.00 23.00 N ATOM 1051 CA SER A 430 -0.948 -3.911 8.884 1.00 71.23 C ATOM 1052 C SER A 430 -1.788 -3.561 7.680 1.00 32.04 C ATOM 1053 O SER A 430 -1.470 -2.617 6.956 1.00 54.31 O ATOM 1054 CB SER A 430 -1.689 -3.564 10.179 1.00 44.24 C ATOM 1055 OG SER A 430 -1.815 -2.153 10.324 1.00 52.34 O ATOM 0 H SER A 430 0.339 -2.424 8.194 1.00 23.00 H new ATOM 0 HA SER A 430 -0.756 -4.983 8.854 1.00 71.23 H new ATOM 0 HB2 SER A 430 -2.677 -4.024 10.173 1.00 44.24 H new ATOM 0 HB3 SER A 430 -1.151 -3.976 11.033 1.00 44.24 H new ATOM 0 HG SER A 430 -2.292 -1.951 11.156 1.00 52.34 H new ATOM 1061 N VAL A 431 -2.841 -4.320 7.462 1.00 13.33 N ATOM 1062 CA VAL A 431 -3.751 -4.093 6.386 1.00 42.24 C ATOM 1063 C VAL A 431 -5.150 -4.385 6.854 1.00 41.41 C ATOM 1064 O VAL A 431 -5.422 -5.448 7.409 1.00 14.12 O ATOM 1065 CB VAL A 431 -3.389 -4.889 5.085 1.00 3.43 C ATOM 1066 CG1 VAL A 431 -3.183 -6.358 5.358 1.00 12.10 C ATOM 1067 CG2 VAL A 431 -4.459 -4.701 4.020 1.00 50.10 C ATOM 0 H VAL A 431 -3.083 -5.122 8.043 1.00 13.33 H new ATOM 0 HA VAL A 431 -3.676 -3.044 6.100 1.00 42.24 H new ATOM 0 HB VAL A 431 -2.446 -4.484 4.717 1.00 3.43 H new ATOM 0 HG11 VAL A 431 -2.934 -6.869 4.428 1.00 12.10 H new ATOM 0 HG12 VAL A 431 -2.368 -6.485 6.071 1.00 12.10 H new ATOM 0 HG13 VAL A 431 -4.097 -6.783 5.772 1.00 12.10 H new ATOM 0 HG21 VAL A 431 -4.186 -5.263 3.127 1.00 50.10 H new ATOM 0 HG22 VAL A 431 -5.416 -5.062 4.397 1.00 50.10 H new ATOM 0 HG23 VAL A 431 -4.543 -3.643 3.772 1.00 50.10 H new ATOM 1073 N LEU A 432 -6.005 -3.448 6.678 1.00 73.54 N ATOM 1074 CA LEU A 432 -7.347 -3.567 7.125 1.00 64.33 C ATOM 1075 C LEU A 432 -8.275 -3.284 5.967 1.00 72.22 C ATOM 1076 O LEU A 432 -8.016 -2.387 5.180 1.00 40.42 O ATOM 1077 CB LEU A 432 -7.604 -2.591 8.260 1.00 43.52 C ATOM 1078 CG LEU A 432 -8.917 -2.765 8.995 1.00 51.24 C ATOM 1079 CD1 LEU A 432 -8.919 -4.096 9.733 1.00 72.03 C ATOM 1080 CD2 LEU A 432 -9.149 -1.617 9.947 1.00 34.30 C ATOM 0 H LEU A 432 -5.793 -2.565 6.214 1.00 73.54 H new ATOM 0 HA LEU A 432 -7.526 -4.577 7.494 1.00 64.33 H new ATOM 0 HB2 LEU A 432 -6.791 -2.679 8.981 1.00 43.52 H new ATOM 0 HB3 LEU A 432 -7.565 -1.578 7.859 1.00 43.52 H new ATOM 0 HG LEU A 432 -9.733 -2.766 8.272 1.00 51.24 H new ATOM 0 HD11 LEU A 432 -9.865 -4.218 10.261 1.00 72.03 H new ATOM 0 HD12 LEU A 432 -8.795 -4.909 9.018 1.00 72.03 H new ATOM 0 HD13 LEU A 432 -8.098 -4.116 10.450 1.00 72.03 H new ATOM 0 HD21 LEU A 432 -10.097 -1.760 10.465 1.00 34.30 H new ATOM 0 HD22 LEU A 432 -8.339 -1.579 10.676 1.00 34.30 H new ATOM 0 HD23 LEU A 432 -9.179 -0.681 9.388 1.00 34.30 H new ATOM 1088 N GLU A 433 -9.311 -4.051 5.833 1.00 21.52 N ATOM 1089 CA GLU A 433 -10.248 -3.849 4.759 1.00 60.31 C ATOM 1090 C GLU A 433 -11.203 -2.720 5.160 1.00 40.32 C ATOM 1091 O GLU A 433 -11.991 -2.856 6.107 1.00 40.02 O ATOM 1092 CB GLU A 433 -11.005 -5.154 4.487 1.00 2.21 C ATOM 1093 CG GLU A 433 -11.936 -5.111 3.294 1.00 13.24 C ATOM 1094 CD GLU A 433 -12.628 -6.434 3.060 1.00 75.42 C ATOM 1095 OE1 GLU A 433 -12.086 -7.280 2.323 1.00 70.23 O ATOM 1096 OE2 GLU A 433 -13.715 -6.658 3.616 1.00 63.24 O ATOM 0 H GLU A 433 -9.535 -4.828 6.454 1.00 21.52 H new ATOM 0 HA GLU A 433 -9.732 -3.567 3.841 1.00 60.31 H new ATOM 0 HB2 GLU A 433 -10.280 -5.953 4.335 1.00 2.21 H new ATOM 0 HB3 GLU A 433 -11.584 -5.413 5.373 1.00 2.21 H new ATOM 0 HG2 GLU A 433 -12.685 -4.334 3.448 1.00 13.24 H new ATOM 0 HG3 GLU A 433 -11.370 -4.837 2.404 1.00 13.24 H new ATOM 1103 N ALA A 434 -11.106 -1.603 4.448 1.00 32.02 N ATOM 1104 CA ALA A 434 -11.858 -0.397 4.765 1.00 23.11 C ATOM 1105 C ALA A 434 -13.294 -0.568 4.384 1.00 74.12 C ATOM 1106 O ALA A 434 -14.202 -0.333 5.182 1.00 11.10 O ATOM 1107 CB ALA A 434 -11.266 0.807 4.042 1.00 13.02 C ATOM 0 H ALA A 434 -10.501 -1.509 3.632 1.00 32.02 H new ATOM 0 HA ALA A 434 -11.795 -0.224 5.839 1.00 23.11 H new ATOM 0 HB1 ALA A 434 -11.841 1.699 4.291 1.00 13.02 H new ATOM 0 HB2 ALA A 434 -10.230 0.944 4.352 1.00 13.02 H new ATOM 0 HB3 ALA A 434 -11.303 0.640 2.966 1.00 13.02 H new ATOM 1113 N GLN A 435 -13.499 -0.987 3.173 1.00 61.33 N ATOM 1114 CA GLN A 435 -14.814 -1.231 2.667 1.00 43.12 C ATOM 1115 C GLN A 435 -14.905 -2.670 2.228 1.00 14.54 C ATOM 1116 O GLN A 435 -15.371 -3.526 2.966 1.00 34.33 O ATOM 1117 CB GLN A 435 -15.132 -0.297 1.499 1.00 3.35 C ATOM 1118 CG GLN A 435 -15.176 1.179 1.839 1.00 65.33 C ATOM 1119 CD GLN A 435 -15.401 2.031 0.606 1.00 11.14 C ATOM 1120 OE1 GLN A 435 -16.531 2.303 0.220 1.00 52.31 O ATOM 1121 NE2 GLN A 435 -14.334 2.482 0.002 1.00 43.33 N ATOM 0 H GLN A 435 -12.752 -1.171 2.503 1.00 61.33 H new ATOM 0 HA GLN A 435 -15.544 -1.037 3.453 1.00 43.12 H new ATOM 0 HB2 GLN A 435 -14.386 -0.451 0.720 1.00 3.35 H new ATOM 0 HB3 GLN A 435 -16.096 -0.584 1.078 1.00 3.35 H new ATOM 0 HG2 GLN A 435 -15.973 1.363 2.559 1.00 65.33 H new ATOM 0 HG3 GLN A 435 -14.241 1.470 2.317 1.00 65.33 H new ATOM 0 HE21 GLN A 435 -13.408 2.235 0.351 1.00 43.33 H new ATOM 0 HE22 GLN A 435 -14.427 3.081 -0.818 1.00 43.33 H new ATOM 1129 N LYS A 436 -14.429 -2.924 1.031 1.00 25.25 N ATOM 1130 CA LYS A 436 -14.369 -4.259 0.454 1.00 71.23 C ATOM 1131 C LYS A 436 -13.147 -4.350 -0.380 1.00 65.45 C ATOM 1132 O LYS A 436 -12.246 -5.121 -0.118 1.00 72.53 O ATOM 1133 CB LYS A 436 -15.576 -4.600 -0.471 1.00 34.12 C ATOM 1134 CG LYS A 436 -16.934 -4.711 0.177 1.00 32.22 C ATOM 1135 CD LYS A 436 -17.546 -3.365 0.524 1.00 43.33 C ATOM 1136 CE LYS A 436 -18.877 -3.526 1.231 1.00 42.31 C ATOM 1137 NZ LYS A 436 -19.854 -4.263 0.410 1.00 74.02 N ATOM 0 H LYS A 436 -14.064 -2.198 0.414 1.00 25.25 H new ATOM 0 HA LYS A 436 -14.379 -4.959 1.289 1.00 71.23 H new ATOM 0 HB2 LYS A 436 -15.633 -3.836 -1.246 1.00 34.12 H new ATOM 0 HB3 LYS A 436 -15.362 -5.545 -0.970 1.00 34.12 H new ATOM 0 HG2 LYS A 436 -17.606 -5.246 -0.494 1.00 32.22 H new ATOM 0 HG3 LYS A 436 -16.848 -5.308 1.085 1.00 32.22 H new ATOM 0 HD2 LYS A 436 -16.860 -2.805 1.160 1.00 43.33 H new ATOM 0 HD3 LYS A 436 -17.684 -2.782 -0.386 1.00 43.33 H new ATOM 0 HE2 LYS A 436 -18.725 -4.052 2.173 1.00 42.31 H new ATOM 0 HE3 LYS A 436 -19.278 -2.543 1.476 1.00 42.31 H new ATOM 0 HZ1 LYS A 436 -20.774 -4.277 0.894 1.00 74.02 H new ATOM 0 HZ2 LYS A 436 -19.956 -3.794 -0.513 1.00 74.02 H new ATOM 0 HZ3 LYS A 436 -19.523 -5.239 0.268 1.00 74.02 H new ATOM 1151 N CYS A 437 -13.121 -3.521 -1.374 1.00 42.13 N ATOM 1152 CA CYS A 437 -12.063 -3.506 -2.335 1.00 14.15 C ATOM 1153 C CYS A 437 -10.993 -2.516 -1.968 1.00 51.44 C ATOM 1154 O CYS A 437 -9.948 -2.450 -2.590 1.00 33.52 O ATOM 1155 CB CYS A 437 -12.612 -3.165 -3.686 1.00 34.52 C ATOM 1156 SG CYS A 437 -13.719 -4.412 -4.381 1.00 53.30 S ATOM 0 H CYS A 437 -13.846 -2.824 -1.544 1.00 42.13 H new ATOM 0 HA CYS A 437 -11.615 -4.500 -2.351 1.00 14.15 H new ATOM 0 HB2 CYS A 437 -13.148 -2.219 -3.618 1.00 34.52 H new ATOM 0 HB3 CYS A 437 -11.781 -3.011 -4.374 1.00 34.52 H new ATOM 1161 N GLU A 438 -11.269 -1.755 -0.977 1.00 4.25 N ATOM 1162 CA GLU A 438 -10.382 -0.742 -0.509 1.00 50.20 C ATOM 1163 C GLU A 438 -9.842 -1.144 0.827 1.00 64.41 C ATOM 1164 O GLU A 438 -10.607 -1.519 1.731 1.00 12.23 O ATOM 1165 CB GLU A 438 -11.106 0.588 -0.427 1.00 43.43 C ATOM 1166 CG GLU A 438 -10.306 1.703 0.228 1.00 24.12 C ATOM 1167 CD GLU A 438 -11.087 2.975 0.360 1.00 51.35 C ATOM 1168 OE1 GLU A 438 -11.853 3.109 1.335 1.00 24.20 O ATOM 1169 OE2 GLU A 438 -10.949 3.862 -0.496 1.00 34.12 O ATOM 0 H GLU A 438 -12.140 -1.816 -0.450 1.00 4.25 H new ATOM 0 HA GLU A 438 -9.551 -0.627 -1.205 1.00 50.20 H new ATOM 0 HB2 GLU A 438 -11.382 0.900 -1.434 1.00 43.43 H new ATOM 0 HB3 GLU A 438 -12.033 0.449 0.129 1.00 43.43 H new ATOM 0 HG2 GLU A 438 -9.979 1.378 1.216 1.00 24.12 H new ATOM 0 HG3 GLU A 438 -9.407 1.893 -0.359 1.00 24.12 H new ATOM 1176 N TYR A 439 -8.553 -1.102 0.949 1.00 15.05 N ATOM 1177 CA TYR A 439 -7.882 -1.510 2.149 1.00 23.52 C ATOM 1178 C TYR A 439 -7.006 -0.383 2.655 1.00 10.30 C ATOM 1179 O TYR A 439 -6.526 0.432 1.878 1.00 42.41 O ATOM 1180 CB TYR A 439 -7.013 -2.739 1.845 1.00 24.34 C ATOM 1181 CG TYR A 439 -7.775 -3.858 1.174 1.00 32.24 C ATOM 1182 CD1 TYR A 439 -7.923 -3.879 -0.205 1.00 74.10 C ATOM 1183 CD2 TYR A 439 -8.364 -4.872 1.907 1.00 34.33 C ATOM 1184 CE1 TYR A 439 -8.628 -4.869 -0.830 1.00 44.24 C ATOM 1185 CE2 TYR A 439 -9.072 -5.875 1.282 1.00 53.33 C ATOM 1186 CZ TYR A 439 -9.201 -5.868 -0.086 1.00 65.20 C ATOM 1187 OH TYR A 439 -9.914 -6.860 -0.708 1.00 20.55 O ATOM 0 H TYR A 439 -7.927 -0.780 0.211 1.00 15.05 H new ATOM 0 HA TYR A 439 -8.619 -1.759 2.912 1.00 23.52 H new ATOM 0 HB2 TYR A 439 -6.183 -2.439 1.205 1.00 24.34 H new ATOM 0 HB3 TYR A 439 -6.581 -3.109 2.775 1.00 24.34 H new ATOM 0 HD1 TYR A 439 -7.472 -3.097 -0.797 1.00 74.10 H new ATOM 0 HD2 TYR A 439 -8.268 -4.878 2.983 1.00 34.33 H new ATOM 0 HE1 TYR A 439 -8.733 -4.864 -1.905 1.00 44.24 H new ATOM 0 HE2 TYR A 439 -9.524 -6.664 1.865 1.00 53.33 H new ATOM 0 HH TYR A 439 -10.865 -6.624 -0.716 1.00 20.55 H new ATOM 1197 N LEU A 440 -6.826 -0.317 3.935 1.00 14.42 N ATOM 1198 CA LEU A 440 -5.935 0.640 4.518 1.00 54.34 C ATOM 1199 C LEU A 440 -4.742 -0.078 5.101 1.00 33.32 C ATOM 1200 O LEU A 440 -4.885 -0.952 5.966 1.00 14.33 O ATOM 1201 CB LEU A 440 -6.601 1.593 5.563 1.00 0.53 C ATOM 1202 CG LEU A 440 -7.295 0.981 6.800 1.00 11.24 C ATOM 1203 CD1 LEU A 440 -7.524 2.058 7.838 1.00 11.53 C ATOM 1204 CD2 LEU A 440 -8.642 0.405 6.429 1.00 74.22 C ATOM 0 H LEU A 440 -7.292 -0.925 4.609 1.00 14.42 H new ATOM 0 HA LEU A 440 -5.615 1.303 3.715 1.00 54.34 H new ATOM 0 HB2 LEU A 440 -5.832 2.277 5.922 1.00 0.53 H new ATOM 0 HB3 LEU A 440 -7.341 2.195 5.035 1.00 0.53 H new ATOM 0 HG LEU A 440 -6.651 0.193 7.191 1.00 11.24 H new ATOM 0 HD11 LEU A 440 -8.014 1.625 8.710 1.00 11.53 H new ATOM 0 HD12 LEU A 440 -6.567 2.487 8.135 1.00 11.53 H new ATOM 0 HD13 LEU A 440 -8.157 2.840 7.418 1.00 11.53 H new ATOM 0 HD21 LEU A 440 -9.112 -0.020 7.315 1.00 74.22 H new ATOM 0 HD22 LEU A 440 -9.276 1.194 6.025 1.00 74.22 H new ATOM 0 HD23 LEU A 440 -8.510 -0.375 5.679 1.00 74.22 H new ATOM 1212 N ILE A 441 -3.589 0.244 4.603 1.00 42.04 N ATOM 1213 CA ILE A 441 -2.360 -0.357 5.056 1.00 63.52 C ATOM 1214 C ILE A 441 -1.541 0.663 5.834 1.00 60.02 C ATOM 1215 O ILE A 441 -1.395 1.818 5.408 1.00 3.15 O ATOM 1216 CB ILE A 441 -1.492 -0.961 3.878 1.00 63.01 C ATOM 1217 CG1 ILE A 441 -2.146 -2.174 3.199 1.00 5.12 C ATOM 1218 CG2 ILE A 441 -0.066 -1.264 4.278 1.00 11.15 C ATOM 1219 CD1 ILE A 441 -3.214 -1.833 2.188 1.00 34.23 C ATOM 0 H ILE A 441 -3.466 0.936 3.864 1.00 42.04 H new ATOM 0 HA ILE A 441 -2.636 -1.190 5.702 1.00 63.52 H new ATOM 0 HB ILE A 441 -1.452 -0.164 3.136 1.00 63.01 H new ATOM 0 HG12 ILE A 441 -1.370 -2.758 2.704 1.00 5.12 H new ATOM 0 HG13 ILE A 441 -2.583 -2.811 3.968 1.00 5.12 H new ATOM 0 HG21 ILE A 441 0.472 -1.675 3.424 1.00 11.15 H new ATOM 0 HG22 ILE A 441 0.422 -0.347 4.607 1.00 11.15 H new ATOM 0 HG23 ILE A 441 -0.063 -1.989 5.092 1.00 11.15 H new ATOM 0 HD11 ILE A 441 -3.618 -2.751 1.762 1.00 34.23 H new ATOM 0 HD12 ILE A 441 -4.014 -1.278 2.677 1.00 34.23 H new ATOM 0 HD13 ILE A 441 -2.782 -1.224 1.394 1.00 34.23 H new ATOM 1226 N LYS A 442 -1.030 0.256 6.967 1.00 20.35 N ATOM 1227 CA LYS A 442 -0.215 1.110 7.756 1.00 45.45 C ATOM 1228 C LYS A 442 1.233 0.816 7.437 1.00 42.12 C ATOM 1229 O LYS A 442 1.615 -0.346 7.314 1.00 62.34 O ATOM 1230 CB LYS A 442 -0.490 0.854 9.242 1.00 1.33 C ATOM 1231 CG LYS A 442 0.340 1.710 10.200 1.00 54.22 C ATOM 1232 CD LYS A 442 0.067 3.190 10.017 1.00 2.43 C ATOM 1233 CE LYS A 442 -1.381 3.517 10.309 1.00 4.00 C ATOM 1234 NZ LYS A 442 -1.662 4.953 10.130 1.00 31.21 N ATOM 0 H LYS A 442 -1.173 -0.675 7.358 1.00 20.35 H new ATOM 0 HA LYS A 442 -0.437 2.154 7.536 1.00 45.45 H new ATOM 0 HB2 LYS A 442 -1.547 1.033 9.438 1.00 1.33 H new ATOM 0 HB3 LYS A 442 -0.300 -0.197 9.457 1.00 1.33 H new ATOM 0 HG2 LYS A 442 0.117 1.424 11.228 1.00 54.22 H new ATOM 0 HG3 LYS A 442 1.400 1.513 10.037 1.00 54.22 H new ATOM 0 HD2 LYS A 442 0.714 3.767 10.678 1.00 2.43 H new ATOM 0 HD3 LYS A 442 0.311 3.484 8.996 1.00 2.43 H new ATOM 0 HE2 LYS A 442 -2.026 2.935 9.650 1.00 4.00 H new ATOM 0 HE3 LYS A 442 -1.622 3.224 11.331 1.00 4.00 H new ATOM 0 HZ1 LYS A 442 -2.581 5.183 10.559 1.00 31.21 H new ATOM 0 HZ2 LYS A 442 -0.916 5.513 10.590 1.00 31.21 H new ATOM 0 HZ3 LYS A 442 -1.688 5.178 9.115 1.00 31.21 H new ATOM 1248 N MET A 443 2.021 1.845 7.272 1.00 43.43 N ATOM 1249 CA MET A 443 3.429 1.686 7.030 1.00 74.33 C ATOM 1250 C MET A 443 4.185 2.683 7.817 1.00 44.44 C ATOM 1251 O MET A 443 3.632 3.693 8.269 1.00 60.45 O ATOM 1252 CB MET A 443 3.813 1.840 5.552 1.00 64.45 C ATOM 1253 CG MET A 443 3.287 0.767 4.626 1.00 74.04 C ATOM 1254 SD MET A 443 3.925 0.937 2.943 1.00 65.22 S ATOM 1255 CE MET A 443 5.691 0.776 3.226 1.00 14.34 C ATOM 0 H MET A 443 1.705 2.814 7.302 1.00 43.43 H new ATOM 0 HA MET A 443 3.679 0.669 7.331 1.00 74.33 H new ATOM 0 HB2 MET A 443 3.453 2.807 5.200 1.00 64.45 H new ATOM 0 HB3 MET A 443 4.900 1.858 5.477 1.00 64.45 H new ATOM 0 HG2 MET A 443 3.559 -0.213 5.018 1.00 74.04 H new ATOM 0 HG3 MET A 443 2.198 0.810 4.605 1.00 74.04 H new ATOM 0 HE1 MET A 443 6.174 0.419 2.316 1.00 14.34 H new ATOM 0 HE2 MET A 443 6.105 1.746 3.501 1.00 14.34 H new ATOM 0 HE3 MET A 443 5.867 0.065 4.033 1.00 14.34 H new ATOM 1265 N LYS A 444 5.425 2.422 8.006 1.00 51.43 N ATOM 1266 CA LYS A 444 6.278 3.341 8.674 1.00 73.32 C ATOM 1267 C LYS A 444 7.508 3.506 7.844 1.00 43.24 C ATOM 1268 O LYS A 444 7.784 2.683 6.981 1.00 41.23 O ATOM 1269 CB LYS A 444 6.652 2.868 10.070 1.00 70.00 C ATOM 1270 CG LYS A 444 5.489 2.569 10.965 1.00 2.30 C ATOM 1271 CD LYS A 444 4.790 3.838 11.362 1.00 45.33 C ATOM 1272 CE LYS A 444 3.558 3.525 12.149 1.00 15.03 C ATOM 1273 NZ LYS A 444 2.806 4.727 12.600 1.00 71.24 N ATOM 0 H LYS A 444 5.882 1.562 7.702 1.00 51.43 H new ATOM 0 HA LYS A 444 5.753 4.289 8.795 1.00 73.32 H new ATOM 0 HB2 LYS A 444 7.265 1.971 9.982 1.00 70.00 H new ATOM 0 HB3 LYS A 444 7.270 3.631 10.543 1.00 70.00 H new ATOM 0 HG2 LYS A 444 4.790 1.907 10.454 1.00 2.30 H new ATOM 0 HG3 LYS A 444 5.834 2.043 11.855 1.00 2.30 H new ATOM 0 HD2 LYS A 444 5.460 4.461 11.954 1.00 45.33 H new ATOM 0 HD3 LYS A 444 4.526 4.410 10.472 1.00 45.33 H new ATOM 0 HE2 LYS A 444 2.900 2.904 11.542 1.00 15.03 H new ATOM 0 HE3 LYS A 444 3.837 2.935 13.022 1.00 15.03 H new ATOM 0 HZ1 LYS A 444 2.318 4.516 13.494 1.00 71.24 H new ATOM 0 HZ2 LYS A 444 3.468 5.516 12.744 1.00 71.24 H new ATOM 0 HZ3 LYS A 444 2.106 4.990 11.877 1.00 71.24 H new ATOM 1287 N SER A 445 8.204 4.558 8.085 1.00 10.21 N ATOM 1288 CA SER A 445 9.429 4.877 7.370 1.00 63.22 C ATOM 1289 C SER A 445 10.178 5.966 8.129 1.00 44.04 C ATOM 1290 O SER A 445 9.550 6.842 8.738 1.00 71.25 O ATOM 1291 CB SER A 445 9.098 5.368 5.927 1.00 1.14 C ATOM 1292 OG SER A 445 10.265 5.759 5.206 1.00 13.21 O ATOM 0 H SER A 445 7.950 5.246 8.794 1.00 10.21 H new ATOM 0 HA SER A 445 10.050 3.984 7.299 1.00 63.22 H new ATOM 0 HB2 SER A 445 8.588 4.573 5.383 1.00 1.14 H new ATOM 0 HB3 SER A 445 8.408 6.210 5.982 1.00 1.14 H new ATOM 0 HG SER A 445 10.010 6.057 4.308 1.00 13.21 H new ATOM 1298 N PRO A 446 11.522 5.935 8.131 1.00 41.15 N ATOM 1299 CA PRO A 446 12.320 6.969 8.785 1.00 42.34 C ATOM 1300 C PRO A 446 12.153 8.305 8.074 1.00 74.14 C ATOM 1301 O PRO A 446 12.239 9.370 8.683 1.00 75.32 O ATOM 1302 CB PRO A 446 13.763 6.460 8.647 1.00 31.23 C ATOM 1303 CG PRO A 446 13.730 5.509 7.501 1.00 63.44 C ATOM 1304 CD PRO A 446 12.367 4.885 7.519 1.00 43.24 C ATOM 0 HA PRO A 446 12.028 7.136 9.822 1.00 42.34 H new ATOM 0 HB2 PRO A 446 14.455 7.281 8.458 1.00 31.23 H new ATOM 0 HB3 PRO A 446 14.096 5.966 9.560 1.00 31.23 H new ATOM 0 HG2 PRO A 446 13.909 6.027 6.559 1.00 63.44 H new ATOM 0 HG3 PRO A 446 14.507 4.751 7.601 1.00 63.44 H new ATOM 0 HD2 PRO A 446 12.028 4.630 6.515 1.00 43.24 H new ATOM 0 HD3 PRO A 446 12.353 3.965 8.104 1.00 43.24 H new ATOM 1312 N ALA A 447 11.852 8.228 6.788 1.00 25.22 N ATOM 1313 CA ALA A 447 11.680 9.397 5.957 1.00 52.51 C ATOM 1314 C ALA A 447 10.333 10.062 6.214 1.00 42.05 C ATOM 1315 O ALA A 447 10.138 11.223 5.886 1.00 74.52 O ATOM 1316 CB ALA A 447 11.822 9.021 4.493 1.00 71.14 C ATOM 0 H ALA A 447 11.720 7.346 6.293 1.00 25.22 H new ATOM 0 HA ALA A 447 12.458 10.116 6.212 1.00 52.51 H new ATOM 0 HB1 ALA A 447 11.691 9.909 3.875 1.00 71.14 H new ATOM 0 HB2 ALA A 447 12.813 8.601 4.320 1.00 71.14 H new ATOM 0 HB3 ALA A 447 11.064 8.282 4.232 1.00 71.14 H new ATOM 1322 N ALA A 448 9.415 9.322 6.828 1.00 1.11 N ATOM 1323 CA ALA A 448 8.083 9.845 7.131 1.00 61.35 C ATOM 1324 C ALA A 448 8.030 10.334 8.552 1.00 2.44 C ATOM 1325 O ALA A 448 6.957 10.616 9.100 1.00 70.53 O ATOM 1326 CB ALA A 448 7.045 8.772 6.939 1.00 22.45 C ATOM 0 H ALA A 448 9.567 8.358 7.126 1.00 1.11 H new ATOM 0 HA ALA A 448 7.877 10.673 6.453 1.00 61.35 H new ATOM 0 HB1 ALA A 448 6.058 9.175 7.168 1.00 22.45 H new ATOM 0 HB2 ALA A 448 7.065 8.427 5.905 1.00 22.45 H new ATOM 0 HB3 ALA A 448 7.259 7.936 7.605 1.00 22.45 H new ATOM 1332 N CYS A 449 9.174 10.436 9.147 1.00 60.32 N ATOM 1333 CA CYS A 449 9.265 10.849 10.492 1.00 64.21 C ATOM 1334 C CYS A 449 9.709 12.292 10.534 1.00 31.30 C ATOM 1335 O CYS A 449 10.539 12.725 9.725 1.00 34.15 O ATOM 1336 CB CYS A 449 10.252 9.960 11.236 1.00 3.25 C ATOM 1337 SG CYS A 449 10.208 10.136 13.039 1.00 52.20 S ATOM 0 H CYS A 449 10.070 10.232 8.704 1.00 60.32 H new ATOM 0 HA CYS A 449 8.293 10.762 10.977 1.00 64.21 H new ATOM 0 HB2 CYS A 449 10.050 8.920 10.980 1.00 3.25 H new ATOM 0 HB3 CYS A 449 11.260 10.184 10.886 1.00 3.25 H new ATOM 1342 N SER A 450 9.144 13.030 11.437 1.00 11.34 N ATOM 1343 CA SER A 450 9.441 14.407 11.594 1.00 30.04 C ATOM 1344 C SER A 450 9.518 14.686 13.088 1.00 64.11 C ATOM 1345 O SER A 450 10.578 14.412 13.690 1.00 37.60 O ATOM 1346 CB SER A 450 8.334 15.246 10.903 1.00 33.12 C ATOM 1347 OG SER A 450 8.590 16.657 10.945 1.00 45.24 O ATOM 1348 OXT SER A 450 8.516 15.119 13.676 1.00 37.60 O ATOM 0 H SER A 450 8.450 12.679 12.096 1.00 11.34 H new ATOM 0 HA SER A 450 10.390 14.676 11.131 1.00 30.04 H new ATOM 0 HB2 SER A 450 8.242 14.930 9.864 1.00 33.12 H new ATOM 0 HB3 SER A 450 7.378 15.042 11.384 1.00 33.12 H new ATOM 0 HG SER A 450 7.863 17.135 10.495 1.00 45.24 H new TER 1354 SER A 450