USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=29 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 419 THR OG1 : rot 41:sc= 1.05 USER MOD Set 1.2: A 442 LYS NZ :NH3+ -149:sc= 2.45 (180deg=1.18) USER MOD Set 2.1: A 407 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 413 HIS : no HE2:sc= -0.214 K(o=-0.21,f=-1.2) USER MOD Set 3.1: A 361 LYS NZ :NH3+ 173:sc= 1.37 (180deg=0.262) USER MOD Set 3.2: A 379 TYR OH : rot 180:sc= 0.423 USER MOD Set 4.1: A 374 TYR OH : rot -70:sc= -0.52 USER MOD Set 4.2: A 384 GLN : amide:sc= 0.358 K(o=-0.16,f=-3!) USER MOD Set 5.1: A 363 MET CE :methyl -146:sc= -0.334 (180deg=-2.41) USER MOD Set 5.2: A 365 THR OG1 : rot 112:sc= 0.109 USER MOD Set 5.3: A 426 ASN : amide:sc= -0.263 X(o=-0.49,f=-0.81) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 366 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.06) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= -0.561 USER MOD Single : A 375 LYS NZ :NH3+ 169:sc= 0.747 (180deg=0.616) USER MOD Single : A 381 ASN :FLIP amide:sc= -1.05 F(o=-2.4!,f=-1) USER MOD Single : A 386 SER OG : rot 68:sc= 1.21 USER MOD Single : A 391 ASN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= -0.17 USER MOD Single : A 395 GLN : amide:sc= -2.99 X(o=-3,f=-2.8) USER MOD Single : A 398 ASN : amide:sc= 1.23 K(o=1.2,f=-4.2!) USER MOD Single : A 401 LYS NZ :NH3+ -169:sc= -0.0173 (180deg=-0.145) USER MOD Single : A 402 TYR OH : rot -60:sc= -0.311 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 406 GLN :FLIP amide:sc= -0.243 F(o=-1.5!,f=-0.24) USER MOD Single : A 410 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.9!) USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -0.763 USER MOD Single : A 435 GLN : amide:sc= 0.322 X(o=0.32,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 155:sc= -1.39! (180deg=-2.87!) USER MOD Single : A 439 TYR OH : rot -96:sc= 0.559 USER MOD Single : A 443 MET CE :methyl 144:sc= -0.433 (180deg=-2.71!) USER MOD Single : A 444 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0205) USER MOD Single : A 445 SER OG : rot 180:sc= -0.313 USER MOD Single : A 450 SER OG : rot 149:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 10.287 13.759 5.692 1.00 64.32 N ATOM 2 CA TYR A 357 10.522 13.655 4.253 1.00 23.52 C ATOM 3 C TYR A 357 9.401 12.828 3.673 1.00 73.52 C ATOM 4 O TYR A 357 8.480 12.451 4.397 1.00 61.22 O ATOM 5 CB TYR A 357 11.871 12.953 3.970 1.00 32.02 C ATOM 6 CG TYR A 357 13.076 13.603 4.616 1.00 4.03 C ATOM 7 CD1 TYR A 357 13.791 14.594 3.962 1.00 43.21 C ATOM 8 CD2 TYR A 357 13.500 13.215 5.882 1.00 64.33 C ATOM 9 CE1 TYR A 357 14.889 15.183 4.550 1.00 20.12 C ATOM 10 CE2 TYR A 357 14.596 13.801 6.477 1.00 4.41 C ATOM 11 CZ TYR A 357 15.287 14.785 5.807 1.00 43.31 C ATOM 12 OH TYR A 357 16.381 15.375 6.395 1.00 31.55 O ATOM 0 HA TYR A 357 10.556 14.649 3.807 1.00 23.52 H new ATOM 0 HB2 TYR A 357 11.806 11.921 4.313 1.00 32.02 H new ATOM 0 HB3 TYR A 357 12.028 12.921 2.892 1.00 32.02 H new ATOM 0 HD1 TYR A 357 13.483 14.909 2.976 1.00 43.21 H new ATOM 0 HD2 TYR A 357 12.961 12.441 6.408 1.00 64.33 H new ATOM 0 HE1 TYR A 357 15.436 15.954 4.027 1.00 20.12 H new ATOM 0 HE2 TYR A 357 14.911 13.490 7.462 1.00 4.41 H new ATOM 0 HH TYR A 357 16.528 14.982 7.281 1.00 31.55 H new ATOM 24 N ARG A 358 9.461 12.542 2.395 1.00 11.32 N ATOM 25 CA ARG A 358 8.456 11.706 1.778 1.00 62.00 C ATOM 26 C ARG A 358 8.911 10.262 1.824 1.00 5.41 C ATOM 27 O ARG A 358 10.007 9.963 2.301 1.00 62.22 O ATOM 28 CB ARG A 358 8.160 12.104 0.302 1.00 11.41 C ATOM 29 CG ARG A 358 7.467 13.457 0.074 1.00 14.22 C ATOM 30 CD ARG A 358 8.335 14.660 0.411 1.00 13.22 C ATOM 31 NE ARG A 358 7.597 15.909 0.189 1.00 3.14 N ATOM 32 CZ ARG A 358 8.124 17.131 0.062 1.00 22.21 C ATOM 33 NH1 ARG A 358 9.430 17.308 0.134 1.00 71.33 N ATOM 34 NH2 ARG A 358 7.326 18.173 -0.143 1.00 2.32 N ATOM 0 H ARG A 358 10.190 12.873 1.763 1.00 11.32 H new ATOM 0 HA ARG A 358 7.532 11.843 2.341 1.00 62.00 H new ATOM 0 HB2 ARG A 358 9.103 12.109 -0.244 1.00 11.41 H new ATOM 0 HB3 ARG A 358 7.539 11.326 -0.142 1.00 11.41 H new ATOM 0 HG2 ARG A 358 7.159 13.525 -0.969 1.00 14.22 H new ATOM 0 HG3 ARG A 358 6.560 13.496 0.677 1.00 14.22 H new ATOM 0 HD2 ARG A 358 8.658 14.602 1.450 1.00 13.22 H new ATOM 0 HD3 ARG A 358 9.235 14.649 -0.204 1.00 13.22 H new ATOM 0 HE ARG A 358 6.581 15.838 0.125 1.00 3.14 H new ATOM 0 HH11 ARG A 358 10.045 16.509 0.288 1.00 71.33 H new ATOM 0 HH12 ARG A 358 9.824 18.244 0.036 1.00 71.33 H new ATOM 0 HH21 ARG A 358 6.317 18.038 -0.203 1.00 2.32 H new ATOM 0 HH22 ARG A 358 7.723 19.108 -0.241 1.00 2.32 H new ATOM 46 N ALA A 359 8.075 9.381 1.347 1.00 51.31 N ATOM 47 CA ALA A 359 8.412 7.981 1.230 1.00 23.41 C ATOM 48 C ALA A 359 9.492 7.801 0.155 1.00 41.23 C ATOM 49 O ALA A 359 9.610 8.630 -0.767 1.00 4.34 O ATOM 50 CB ALA A 359 7.189 7.132 0.963 1.00 23.42 C ATOM 0 H ALA A 359 7.135 9.611 1.026 1.00 51.31 H new ATOM 0 HA ALA A 359 8.816 7.634 2.181 1.00 23.41 H new ATOM 0 HB1 ALA A 359 7.483 6.086 0.881 1.00 23.42 H new ATOM 0 HB2 ALA A 359 6.480 7.247 1.783 1.00 23.42 H new ATOM 0 HB3 ALA A 359 6.721 7.451 0.032 1.00 23.42 H new ATOM 56 N ILE A 360 10.268 6.752 0.269 1.00 32.25 N ATOM 57 CA ILE A 360 11.442 6.571 -0.571 1.00 4.43 C ATOM 58 C ILE A 360 11.059 6.048 -1.950 1.00 34.20 C ATOM 59 O ILE A 360 10.322 5.086 -2.085 1.00 31.44 O ATOM 60 CB ILE A 360 12.430 5.578 0.090 1.00 12.33 C ATOM 61 CG1 ILE A 360 12.837 6.064 1.484 1.00 34.43 C ATOM 62 CG2 ILE A 360 13.668 5.357 -0.777 1.00 5.02 C ATOM 63 CD1 ILE A 360 13.486 7.427 1.491 1.00 43.22 C ATOM 0 H ILE A 360 10.112 6.000 0.940 1.00 32.25 H new ATOM 0 HA ILE A 360 11.918 7.545 -0.683 1.00 4.43 H new ATOM 0 HB ILE A 360 11.915 4.622 0.189 1.00 12.33 H new ATOM 0 HG12 ILE A 360 11.953 6.090 2.121 1.00 34.43 H new ATOM 0 HG13 ILE A 360 13.526 5.342 1.923 1.00 34.43 H new ATOM 0 HG21 ILE A 360 14.339 4.655 -0.282 1.00 5.02 H new ATOM 0 HG22 ILE A 360 13.368 4.952 -1.743 1.00 5.02 H new ATOM 0 HG23 ILE A 360 14.182 6.306 -0.926 1.00 5.02 H new ATOM 0 HD11 ILE A 360 13.745 7.701 2.514 1.00 43.22 H new ATOM 0 HD12 ILE A 360 14.389 7.403 0.881 1.00 43.22 H new ATOM 0 HD13 ILE A 360 12.792 8.162 1.083 1.00 43.22 H new ATOM 70 N LYS A 361 11.575 6.718 -2.952 1.00 55.32 N ATOM 71 CA LYS A 361 11.297 6.435 -4.348 1.00 24.14 C ATOM 72 C LYS A 361 11.960 5.114 -4.794 1.00 11.43 C ATOM 73 O LYS A 361 13.126 4.847 -4.449 1.00 4.41 O ATOM 74 CB LYS A 361 11.893 7.557 -5.205 1.00 44.30 C ATOM 75 CG LYS A 361 11.477 8.989 -4.853 1.00 64.02 C ATOM 76 CD LYS A 361 10.027 9.308 -5.189 1.00 50.14 C ATOM 77 CE LYS A 361 9.748 10.785 -4.904 1.00 71.11 C ATOM 78 NZ LYS A 361 8.426 11.239 -5.407 1.00 53.52 N ATOM 0 H LYS A 361 12.219 7.498 -2.820 1.00 55.32 H new ATOM 0 HA LYS A 361 10.217 6.359 -4.470 1.00 24.14 H new ATOM 0 HB2 LYS A 361 12.979 7.493 -5.141 1.00 44.30 H new ATOM 0 HB3 LYS A 361 11.623 7.370 -6.245 1.00 44.30 H new ATOM 0 HG2 LYS A 361 11.638 9.152 -3.787 1.00 64.02 H new ATOM 0 HG3 LYS A 361 12.125 9.686 -5.384 1.00 64.02 H new ATOM 0 HD2 LYS A 361 9.829 9.086 -6.237 1.00 50.14 H new ATOM 0 HD3 LYS A 361 9.360 8.681 -4.598 1.00 50.14 H new ATOM 0 HE2 LYS A 361 9.799 10.957 -3.829 1.00 71.11 H new ATOM 0 HE3 LYS A 361 10.531 11.391 -5.361 1.00 71.11 H new ATOM 0 HZ1 LYS A 361 8.246 12.210 -5.082 1.00 53.52 H new ATOM 0 HZ2 LYS A 361 8.424 11.216 -6.447 1.00 53.52 H new ATOM 0 HZ3 LYS A 361 7.682 10.609 -5.045 1.00 53.52 H new ATOM 92 N GLY A 362 11.203 4.314 -5.537 1.00 51.14 N ATOM 93 CA GLY A 362 11.710 3.134 -6.213 1.00 12.24 C ATOM 94 C GLY A 362 12.308 2.049 -5.353 1.00 61.02 C ATOM 95 O GLY A 362 13.482 1.703 -5.520 1.00 25.44 O ATOM 0 H GLY A 362 10.207 4.473 -5.686 1.00 51.14 H new ATOM 0 HA2 GLY A 362 10.893 2.697 -6.788 1.00 12.24 H new ATOM 0 HA3 GLY A 362 12.468 3.454 -6.928 1.00 12.24 H new ATOM 99 N MET A 363 11.537 1.516 -4.438 1.00 2.25 N ATOM 100 CA MET A 363 11.952 0.333 -3.694 1.00 72.14 C ATOM 101 C MET A 363 10.759 -0.550 -3.477 1.00 11.02 C ATOM 102 O MET A 363 9.610 -0.095 -3.623 1.00 43.02 O ATOM 103 CB MET A 363 12.580 0.645 -2.322 1.00 41.30 C ATOM 104 CG MET A 363 13.814 1.519 -2.349 1.00 54.32 C ATOM 105 SD MET A 363 14.671 1.554 -0.759 1.00 23.23 S ATOM 106 CE MET A 363 13.347 2.006 0.347 1.00 51.33 C ATOM 0 H MET A 363 10.617 1.876 -4.184 1.00 2.25 H new ATOM 0 HA MET A 363 12.721 -0.153 -4.294 1.00 72.14 H new ATOM 0 HB2 MET A 363 11.827 1.130 -1.700 1.00 41.30 H new ATOM 0 HB3 MET A 363 12.835 -0.297 -1.837 1.00 41.30 H new ATOM 0 HG2 MET A 363 14.496 1.156 -3.118 1.00 54.32 H new ATOM 0 HG3 MET A 363 13.531 2.534 -2.628 1.00 54.32 H new ATOM 0 HE1 MET A 363 13.741 2.627 1.152 1.00 51.33 H new ATOM 0 HE2 MET A 363 12.588 2.563 -0.203 1.00 51.33 H new ATOM 0 HE3 MET A 363 12.902 1.105 0.769 1.00 51.33 H new ATOM 116 N GLU A 364 11.010 -1.791 -3.147 1.00 0.32 N ATOM 117 CA GLU A 364 9.959 -2.701 -2.813 1.00 13.44 C ATOM 118 C GLU A 364 9.771 -2.714 -1.335 1.00 23.34 C ATOM 119 O GLU A 364 10.732 -2.651 -0.573 1.00 52.44 O ATOM 120 CB GLU A 364 10.267 -4.146 -3.212 1.00 63.04 C ATOM 121 CG GLU A 364 10.368 -4.458 -4.680 1.00 52.51 C ATOM 122 CD GLU A 364 10.527 -5.946 -4.877 1.00 51.11 C ATOM 123 OE1 GLU A 364 9.538 -6.686 -4.664 1.00 64.00 O ATOM 124 OE2 GLU A 364 11.629 -6.412 -5.222 1.00 41.05 O ATOM 0 H GLU A 364 11.947 -2.192 -3.104 1.00 0.32 H new ATOM 0 HA GLU A 364 9.078 -2.357 -3.354 1.00 13.44 H new ATOM 0 HB2 GLU A 364 11.209 -4.430 -2.743 1.00 63.04 H new ATOM 0 HB3 GLU A 364 9.493 -4.784 -2.786 1.00 63.04 H new ATOM 0 HG2 GLU A 364 9.476 -4.107 -5.198 1.00 52.51 H new ATOM 0 HG3 GLU A 364 11.217 -3.931 -5.115 1.00 52.51 H new ATOM 131 N THR A 365 8.575 -2.749 -0.926 1.00 42.13 N ATOM 132 CA THR A 365 8.273 -3.012 0.427 1.00 13.34 C ATOM 133 C THR A 365 7.312 -4.180 0.451 1.00 42.15 C ATOM 134 O THR A 365 6.254 -4.134 -0.175 1.00 72.31 O ATOM 135 CB THR A 365 7.718 -1.787 1.150 1.00 32.12 C ATOM 136 OG1 THR A 365 8.685 -0.728 1.082 1.00 12.40 O ATOM 137 CG2 THR A 365 7.431 -2.119 2.596 1.00 34.22 C ATOM 0 H THR A 365 7.761 -2.595 -1.521 1.00 42.13 H new ATOM 0 HA THR A 365 9.183 -3.263 0.972 1.00 13.34 H new ATOM 0 HB THR A 365 6.789 -1.475 0.672 1.00 32.12 H new ATOM 0 HG1 THR A 365 8.345 -0.011 0.508 1.00 12.40 H new ATOM 0 HG21 THR A 365 7.036 -1.237 3.100 1.00 34.22 H new ATOM 0 HG22 THR A 365 6.698 -2.924 2.646 1.00 34.22 H new ATOM 0 HG23 THR A 365 8.352 -2.435 3.086 1.00 34.22 H new ATOM 143 N LYS A 366 7.700 -5.230 1.106 1.00 72.03 N ATOM 144 CA LYS A 366 6.929 -6.432 1.113 1.00 74.35 C ATOM 145 C LYS A 366 6.912 -7.046 2.491 1.00 43.14 C ATOM 146 O LYS A 366 7.922 -7.018 3.212 1.00 13.32 O ATOM 147 CB LYS A 366 7.467 -7.370 0.039 1.00 22.22 C ATOM 148 CG LYS A 366 8.951 -7.666 0.178 1.00 51.23 C ATOM 149 CD LYS A 366 9.617 -7.805 -1.178 1.00 24.14 C ATOM 150 CE LYS A 366 9.038 -8.921 -2.019 1.00 30.53 C ATOM 151 NZ LYS A 366 9.724 -9.013 -3.324 1.00 21.35 N ATOM 0 H LYS A 366 8.561 -5.277 1.651 1.00 72.03 H new ATOM 0 HA LYS A 366 5.888 -6.219 0.872 1.00 74.35 H new ATOM 0 HB2 LYS A 366 6.913 -8.308 0.077 1.00 22.22 H new ATOM 0 HB3 LYS A 366 7.283 -6.930 -0.941 1.00 22.22 H new ATOM 0 HG2 LYS A 366 9.432 -6.866 0.741 1.00 51.23 H new ATOM 0 HG3 LYS A 366 9.088 -8.585 0.748 1.00 51.23 H new ATOM 0 HD2 LYS A 366 9.521 -6.864 -1.720 1.00 24.14 H new ATOM 0 HD3 LYS A 366 10.683 -7.983 -1.035 1.00 24.14 H new ATOM 0 HE2 LYS A 366 9.132 -9.868 -1.487 1.00 30.53 H new ATOM 0 HE3 LYS A 366 7.973 -8.748 -2.176 1.00 30.53 H new ATOM 0 HZ1 LYS A 366 9.550 -9.949 -3.742 1.00 21.35 H new ATOM 0 HZ2 LYS A 366 9.359 -8.276 -3.961 1.00 21.35 H new ATOM 0 HZ3 LYS A 366 10.746 -8.878 -3.189 1.00 21.35 H new ATOM 165 N ARG A 367 5.778 -7.571 2.868 1.00 20.30 N ATOM 166 CA ARG A 367 5.580 -8.082 4.201 1.00 24.20 C ATOM 167 C ARG A 367 4.402 -9.030 4.144 1.00 41.14 C ATOM 168 O ARG A 367 3.415 -8.748 3.469 1.00 14.15 O ATOM 169 CB ARG A 367 5.305 -6.855 5.094 1.00 13.31 C ATOM 170 CG ARG A 367 5.339 -7.008 6.617 1.00 25.22 C ATOM 171 CD ARG A 367 4.125 -7.661 7.208 1.00 10.02 C ATOM 172 NE ARG A 367 4.080 -7.454 8.667 1.00 41.12 N ATOM 173 CZ ARG A 367 3.346 -8.151 9.549 1.00 73.31 C ATOM 174 NH1 ARG A 367 2.737 -9.263 9.198 1.00 13.32 N ATOM 175 NH2 ARG A 367 3.265 -7.736 10.802 1.00 33.13 N ATOM 0 H ARG A 367 4.963 -7.658 2.261 1.00 20.30 H new ATOM 0 HA ARG A 367 6.434 -8.628 4.601 1.00 24.20 H new ATOM 0 HB2 ARG A 367 6.031 -6.087 4.827 1.00 13.31 H new ATOM 0 HB3 ARG A 367 4.321 -6.470 4.826 1.00 13.31 H new ATOM 0 HG2 ARG A 367 6.218 -7.591 6.890 1.00 25.22 H new ATOM 0 HG3 ARG A 367 5.459 -6.022 7.065 1.00 25.22 H new ATOM 0 HD2 ARG A 367 3.225 -7.250 6.750 1.00 10.02 H new ATOM 0 HD3 ARG A 367 4.136 -8.728 6.987 1.00 10.02 H new ATOM 0 HE ARG A 367 4.664 -6.707 9.044 1.00 41.12 H new ATOM 0 HH11 ARG A 367 2.818 -9.609 8.242 1.00 13.32 H new ATOM 0 HH12 ARG A 367 2.184 -9.779 9.882 1.00 13.32 H new ATOM 0 HH21 ARG A 367 3.758 -6.892 11.093 1.00 33.13 H new ATOM 0 HH22 ARG A 367 2.709 -8.260 11.478 1.00 33.13 H new ATOM 187 N GLU A 368 4.505 -10.135 4.818 1.00 20.14 N ATOM 188 CA GLU A 368 3.457 -11.147 4.771 1.00 41.43 C ATOM 189 C GLU A 368 2.451 -10.875 5.836 1.00 51.55 C ATOM 190 O GLU A 368 2.805 -10.709 6.989 1.00 51.14 O ATOM 191 CB GLU A 368 4.030 -12.543 4.914 1.00 73.41 C ATOM 192 CG GLU A 368 4.997 -12.917 3.815 1.00 0.42 C ATOM 193 CD GLU A 368 5.593 -14.279 4.009 1.00 62.52 C ATOM 194 OE1 GLU A 368 6.590 -14.394 4.760 1.00 33.22 O ATOM 195 OE2 GLU A 368 5.086 -15.251 3.417 1.00 21.14 O ATOM 0 H GLU A 368 5.299 -10.373 5.412 1.00 20.14 H new ATOM 0 HA GLU A 368 2.969 -11.096 3.798 1.00 41.43 H new ATOM 0 HB2 GLU A 368 4.538 -12.621 5.875 1.00 73.41 H new ATOM 0 HB3 GLU A 368 3.212 -13.263 4.927 1.00 73.41 H new ATOM 0 HG2 GLU A 368 4.481 -12.884 2.855 1.00 0.42 H new ATOM 0 HG3 GLU A 368 5.797 -12.177 3.773 1.00 0.42 H new ATOM 202 N ILE A 369 1.202 -10.806 5.457 1.00 52.23 N ATOM 203 CA ILE A 369 0.152 -10.464 6.361 1.00 53.13 C ATOM 204 C ILE A 369 -0.977 -11.416 6.097 1.00 12.54 C ATOM 205 O ILE A 369 -1.422 -11.527 4.977 1.00 72.22 O ATOM 206 CB ILE A 369 -0.333 -9.011 6.088 1.00 14.54 C ATOM 207 CG1 ILE A 369 0.861 -8.063 6.055 1.00 12.40 C ATOM 208 CG2 ILE A 369 -1.297 -8.568 7.179 1.00 52.14 C ATOM 209 CD1 ILE A 369 0.531 -6.668 5.634 1.00 74.04 C ATOM 0 H ILE A 369 0.889 -10.988 4.503 1.00 52.23 H new ATOM 0 HA ILE A 369 0.496 -10.526 7.393 1.00 53.13 H new ATOM 0 HB ILE A 369 -0.843 -8.988 5.125 1.00 14.54 H new ATOM 0 HG12 ILE A 369 1.313 -8.033 7.046 1.00 12.40 H new ATOM 0 HG13 ILE A 369 1.611 -8.467 5.375 1.00 12.40 H new ATOM 0 HG21 ILE A 369 -1.630 -7.550 6.978 1.00 52.14 H new ATOM 0 HG22 ILE A 369 -2.159 -9.235 7.196 1.00 52.14 H new ATOM 0 HG23 ILE A 369 -0.793 -8.601 8.145 1.00 52.14 H new ATOM 0 HD11 ILE A 369 1.437 -6.063 5.639 1.00 74.04 H new ATOM 0 HD12 ILE A 369 0.109 -6.681 4.629 1.00 74.04 H new ATOM 0 HD13 ILE A 369 -0.194 -6.241 6.327 1.00 74.04 H new ATOM 216 N GLY A 370 -1.391 -12.148 7.096 1.00 42.23 N ATOM 217 CA GLY A 370 -2.480 -13.097 6.917 1.00 54.20 C ATOM 218 C GLY A 370 -2.114 -14.252 5.990 1.00 20.21 C ATOM 219 O GLY A 370 -2.993 -14.996 5.535 1.00 40.44 O ATOM 0 H GLY A 370 -1.001 -12.114 8.038 1.00 42.23 H new ATOM 0 HA2 GLY A 370 -2.771 -13.496 7.889 1.00 54.20 H new ATOM 0 HA3 GLY A 370 -3.348 -12.575 6.514 1.00 54.20 H new ATOM 223 N GLY A 371 -0.834 -14.385 5.694 1.00 31.12 N ATOM 224 CA GLY A 371 -0.379 -15.445 4.857 1.00 32.03 C ATOM 225 C GLY A 371 0.021 -14.975 3.486 1.00 31.30 C ATOM 226 O GLY A 371 0.769 -15.655 2.783 1.00 12.11 O ATOM 0 H GLY A 371 -0.099 -13.762 6.030 1.00 31.12 H new ATOM 0 HA2 GLY A 371 0.471 -15.936 5.330 1.00 32.03 H new ATOM 0 HA3 GLY A 371 -1.167 -16.192 4.764 1.00 32.03 H new ATOM 230 N TYR A 372 -0.457 -13.828 3.102 1.00 64.01 N ATOM 231 CA TYR A 372 -0.181 -13.301 1.800 1.00 3.54 C ATOM 232 C TYR A 372 0.828 -12.185 1.885 1.00 74.41 C ATOM 233 O TYR A 372 0.867 -11.456 2.869 1.00 32.11 O ATOM 234 CB TYR A 372 -1.482 -12.853 1.104 1.00 31.42 C ATOM 235 CG TYR A 372 -2.374 -11.959 1.933 1.00 4.20 C ATOM 236 CD1 TYR A 372 -2.046 -10.647 2.159 1.00 43.32 C ATOM 237 CD2 TYR A 372 -3.552 -12.444 2.492 1.00 60.43 C ATOM 238 CE1 TYR A 372 -2.847 -9.842 2.909 1.00 22.20 C ATOM 239 CE2 TYR A 372 -4.369 -11.632 3.245 1.00 65.15 C ATOM 240 CZ TYR A 372 -4.008 -10.328 3.451 1.00 21.22 C ATOM 241 OH TYR A 372 -4.812 -9.499 4.196 1.00 11.02 O ATOM 0 H TYR A 372 -1.048 -13.233 3.682 1.00 64.01 H new ATOM 0 HA TYR A 372 0.256 -14.090 1.188 1.00 3.54 H new ATOM 0 HB2 TYR A 372 -1.222 -12.329 0.184 1.00 31.42 H new ATOM 0 HB3 TYR A 372 -2.047 -13.740 0.818 1.00 31.42 H new ATOM 0 HD1 TYR A 372 -1.137 -10.246 1.735 1.00 43.32 H new ATOM 0 HD2 TYR A 372 -3.830 -13.475 2.332 1.00 60.43 H new ATOM 0 HE1 TYR A 372 -2.566 -8.813 3.078 1.00 22.20 H new ATOM 0 HE2 TYR A 372 -5.284 -12.019 3.668 1.00 65.15 H new ATOM 0 HH TYR A 372 -5.597 -9.997 4.507 1.00 11.02 H new ATOM 251 N THR A 373 1.643 -12.065 0.890 1.00 61.21 N ATOM 252 CA THR A 373 2.640 -11.042 0.876 1.00 22.01 C ATOM 253 C THR A 373 2.074 -9.760 0.310 1.00 73.04 C ATOM 254 O THR A 373 1.490 -9.756 -0.769 1.00 42.51 O ATOM 255 CB THR A 373 3.863 -11.462 0.039 1.00 14.12 C ATOM 256 OG1 THR A 373 4.381 -12.700 0.543 1.00 24.42 O ATOM 257 CG2 THR A 373 4.955 -10.393 0.114 1.00 75.10 C ATOM 0 H THR A 373 1.639 -12.668 0.068 1.00 61.21 H new ATOM 0 HA THR A 373 2.956 -10.882 1.907 1.00 22.01 H new ATOM 0 HB THR A 373 3.554 -11.581 -0.999 1.00 14.12 H new ATOM 0 HG1 THR A 373 5.158 -12.970 0.011 1.00 24.42 H new ATOM 0 HG21 THR A 373 5.812 -10.706 -0.483 1.00 75.10 H new ATOM 0 HG22 THR A 373 4.568 -9.450 -0.272 1.00 75.10 H new ATOM 0 HG23 THR A 373 5.264 -10.261 1.151 1.00 75.10 H new ATOM 263 N TYR A 374 2.211 -8.701 1.040 1.00 73.23 N ATOM 264 CA TYR A 374 1.859 -7.433 0.545 1.00 21.23 C ATOM 265 C TYR A 374 3.042 -6.805 -0.082 1.00 60.04 C ATOM 266 O TYR A 374 4.091 -6.719 0.534 1.00 73.44 O ATOM 267 CB TYR A 374 1.260 -6.542 1.601 1.00 53.11 C ATOM 268 CG TYR A 374 -0.193 -6.372 1.378 1.00 1.34 C ATOM 269 CD1 TYR A 374 -0.631 -5.578 0.340 1.00 13.13 C ATOM 270 CD2 TYR A 374 -1.128 -6.999 2.164 1.00 3.42 C ATOM 271 CE1 TYR A 374 -1.942 -5.405 0.088 1.00 30.23 C ATOM 272 CE2 TYR A 374 -2.478 -6.818 1.909 1.00 73.30 C ATOM 273 CZ TYR A 374 -2.875 -6.028 0.880 1.00 3.54 C ATOM 274 OH TYR A 374 -4.215 -5.872 0.631 1.00 64.01 O ATOM 0 H TYR A 374 2.571 -8.703 1.994 1.00 73.23 H new ATOM 0 HA TYR A 374 1.081 -7.570 -0.206 1.00 21.23 H new ATOM 0 HB2 TYR A 374 1.434 -6.971 2.588 1.00 53.11 H new ATOM 0 HB3 TYR A 374 1.752 -5.569 1.585 1.00 53.11 H new ATOM 0 HD1 TYR A 374 0.096 -5.082 -0.287 1.00 13.13 H new ATOM 0 HD2 TYR A 374 -0.812 -7.632 2.980 1.00 3.42 H new ATOM 0 HE1 TYR A 374 -2.259 -4.779 -0.733 1.00 30.23 H new ATOM 0 HE2 TYR A 374 -3.215 -7.306 2.530 1.00 73.30 H new ATOM 0 HH TYR A 374 -4.484 -4.956 0.852 1.00 64.01 H new ATOM 284 N LYS A 375 2.887 -6.394 -1.295 1.00 53.30 N ATOM 285 CA LYS A 375 3.978 -5.833 -2.047 1.00 22.44 C ATOM 286 C LYS A 375 3.605 -4.442 -2.471 1.00 32.33 C ATOM 287 O LYS A 375 2.587 -4.248 -3.112 1.00 74.11 O ATOM 288 CB LYS A 375 4.198 -6.669 -3.313 1.00 71.43 C ATOM 289 CG LYS A 375 5.339 -6.212 -4.197 1.00 63.23 C ATOM 290 CD LYS A 375 5.176 -6.821 -5.575 1.00 73.35 C ATOM 291 CE LYS A 375 6.187 -6.285 -6.559 1.00 74.01 C ATOM 292 NZ LYS A 375 7.544 -6.817 -6.348 1.00 35.44 N ATOM 0 H LYS A 375 2.002 -6.434 -1.801 1.00 53.30 H new ATOM 0 HA LYS A 375 4.880 -5.824 -1.435 1.00 22.44 H new ATOM 0 HB2 LYS A 375 4.379 -7.703 -3.019 1.00 71.43 H new ATOM 0 HB3 LYS A 375 3.279 -6.660 -3.899 1.00 71.43 H new ATOM 0 HG2 LYS A 375 5.348 -5.124 -4.266 1.00 63.23 H new ATOM 0 HG3 LYS A 375 6.293 -6.512 -3.764 1.00 63.23 H new ATOM 0 HD2 LYS A 375 5.278 -7.904 -5.506 1.00 73.35 H new ATOM 0 HD3 LYS A 375 4.170 -6.618 -5.943 1.00 73.35 H new ATOM 0 HE2 LYS A 375 5.863 -6.527 -7.571 1.00 74.01 H new ATOM 0 HE3 LYS A 375 6.215 -5.198 -6.485 1.00 74.01 H new ATOM 0 HZ1 LYS A 375 8.146 -6.562 -7.157 1.00 35.44 H new ATOM 0 HZ2 LYS A 375 7.944 -6.412 -5.477 1.00 35.44 H new ATOM 0 HZ3 LYS A 375 7.501 -7.852 -6.261 1.00 35.44 H new ATOM 306 N VAL A 376 4.407 -3.496 -2.131 1.00 72.31 N ATOM 307 CA VAL A 376 4.188 -2.148 -2.559 1.00 11.43 C ATOM 308 C VAL A 376 5.465 -1.596 -3.191 1.00 32.43 C ATOM 309 O VAL A 376 6.549 -1.664 -2.596 1.00 35.24 O ATOM 310 CB VAL A 376 3.682 -1.240 -1.376 1.00 11.32 C ATOM 311 CG1 VAL A 376 4.656 -1.225 -0.242 1.00 22.33 C ATOM 312 CG2 VAL A 376 3.420 0.175 -1.826 1.00 25.14 C ATOM 0 H VAL A 376 5.234 -3.628 -1.549 1.00 72.31 H new ATOM 0 HA VAL A 376 3.399 -2.143 -3.311 1.00 11.43 H new ATOM 0 HB VAL A 376 2.744 -1.677 -1.034 1.00 11.32 H new ATOM 0 HG11 VAL A 376 4.275 -0.589 0.557 1.00 22.33 H new ATOM 0 HG12 VAL A 376 4.791 -2.239 0.135 1.00 22.33 H new ATOM 0 HG13 VAL A 376 5.613 -0.837 -0.590 1.00 22.33 H new ATOM 0 HG21 VAL A 376 3.073 0.768 -0.980 1.00 25.14 H new ATOM 0 HG22 VAL A 376 4.340 0.608 -2.219 1.00 25.14 H new ATOM 0 HG23 VAL A 376 2.658 0.174 -2.605 1.00 25.14 H new ATOM 318 N VAL A 377 5.366 -1.143 -4.422 1.00 41.43 N ATOM 319 CA VAL A 377 6.489 -0.505 -5.061 1.00 20.42 C ATOM 320 C VAL A 377 6.112 0.906 -5.358 1.00 45.21 C ATOM 321 O VAL A 377 5.176 1.158 -6.131 1.00 12.03 O ATOM 322 CB VAL A 377 6.943 -1.195 -6.358 1.00 14.24 C ATOM 323 CG1 VAL A 377 8.223 -0.524 -6.876 1.00 14.44 C ATOM 324 CG2 VAL A 377 7.167 -2.679 -6.126 1.00 73.30 C ATOM 0 H VAL A 377 4.524 -1.205 -4.995 1.00 41.43 H new ATOM 0 HA VAL A 377 7.333 -0.568 -4.374 1.00 20.42 H new ATOM 0 HB VAL A 377 6.160 -1.091 -7.110 1.00 14.24 H new ATOM 0 HG11 VAL A 377 8.544 -1.014 -7.795 1.00 14.44 H new ATOM 0 HG12 VAL A 377 8.026 0.529 -7.076 1.00 14.44 H new ATOM 0 HG13 VAL A 377 9.009 -0.611 -6.125 1.00 14.44 H new ATOM 0 HG21 VAL A 377 7.488 -3.148 -7.056 1.00 73.30 H new ATOM 0 HG22 VAL A 377 7.936 -2.816 -5.366 1.00 73.30 H new ATOM 0 HG23 VAL A 377 6.238 -3.139 -5.789 1.00 73.30 H new ATOM 330 N PHE A 378 6.833 1.808 -4.758 1.00 21.05 N ATOM 331 CA PHE A 378 6.564 3.222 -4.816 1.00 4.21 C ATOM 332 C PHE A 378 6.437 3.746 -6.244 1.00 53.41 C ATOM 333 O PHE A 378 7.317 3.530 -7.089 1.00 14.21 O ATOM 334 CB PHE A 378 7.611 3.985 -4.012 1.00 44.24 C ATOM 335 CG PHE A 378 7.636 3.572 -2.560 1.00 63.32 C ATOM 336 CD1 PHE A 378 6.795 4.177 -1.646 1.00 61.10 C ATOM 337 CD2 PHE A 378 8.495 2.573 -2.115 1.00 32.43 C ATOM 338 CE1 PHE A 378 6.804 3.799 -0.317 1.00 61.11 C ATOM 339 CE2 PHE A 378 8.509 2.190 -0.788 1.00 44.11 C ATOM 340 CZ PHE A 378 7.662 2.804 0.113 1.00 63.10 C ATOM 0 H PHE A 378 7.652 1.576 -4.196 1.00 21.05 H new ATOM 0 HA PHE A 378 5.588 3.392 -4.362 1.00 4.21 H new ATOM 0 HB2 PHE A 378 8.595 3.818 -4.451 1.00 44.24 H new ATOM 0 HB3 PHE A 378 7.409 5.054 -4.079 1.00 44.24 H new ATOM 0 HD1 PHE A 378 6.122 4.955 -1.974 1.00 61.10 H new ATOM 0 HD2 PHE A 378 9.160 2.090 -2.816 1.00 32.43 H new ATOM 0 HE1 PHE A 378 6.141 4.281 0.386 1.00 61.11 H new ATOM 0 HE2 PHE A 378 9.181 1.412 -0.456 1.00 44.11 H new ATOM 0 HZ PHE A 378 7.670 2.508 1.152 1.00 63.10 H new ATOM 350 N TYR A 379 5.291 4.404 -6.500 1.00 43.20 N ATOM 351 CA TYR A 379 4.932 5.004 -7.786 1.00 21.12 C ATOM 352 C TYR A 379 4.646 3.982 -8.887 1.00 31.02 C ATOM 353 O TYR A 379 4.510 4.339 -10.061 1.00 23.04 O ATOM 354 CB TYR A 379 5.920 6.089 -8.200 1.00 54.34 C ATOM 355 CG TYR A 379 5.881 7.301 -7.275 1.00 35.41 C ATOM 356 CD1 TYR A 379 6.376 7.237 -5.974 1.00 5.22 C ATOM 357 CD2 TYR A 379 5.347 8.498 -7.705 1.00 35.24 C ATOM 358 CE1 TYR A 379 6.338 8.331 -5.141 1.00 15.11 C ATOM 359 CE2 TYR A 379 5.305 9.598 -6.876 1.00 63.21 C ATOM 360 CZ TYR A 379 5.800 9.507 -5.596 1.00 32.33 C ATOM 361 OH TYR A 379 5.777 10.608 -4.773 1.00 31.13 O ATOM 0 H TYR A 379 4.570 4.533 -5.790 1.00 43.20 H new ATOM 0 HA TYR A 379 3.974 5.501 -7.633 1.00 21.12 H new ATOM 0 HB2 TYR A 379 6.928 5.674 -8.207 1.00 54.34 H new ATOM 0 HB3 TYR A 379 5.699 6.407 -9.219 1.00 54.34 H new ATOM 0 HD1 TYR A 379 6.798 6.311 -5.613 1.00 5.22 H new ATOM 0 HD2 TYR A 379 4.955 8.574 -8.709 1.00 35.24 H new ATOM 0 HE1 TYR A 379 6.729 8.264 -4.136 1.00 15.11 H new ATOM 0 HE2 TYR A 379 4.885 10.528 -7.230 1.00 63.21 H new ATOM 0 HH TYR A 379 5.364 11.361 -5.245 1.00 31.13 H new ATOM 371 N GLU A 380 4.504 2.723 -8.503 1.00 10.34 N ATOM 372 CA GLU A 380 4.128 1.693 -9.444 1.00 10.21 C ATOM 373 C GLU A 380 2.793 1.038 -9.104 1.00 3.13 C ATOM 374 O GLU A 380 1.723 1.547 -9.471 1.00 33.21 O ATOM 375 CB GLU A 380 5.234 0.642 -9.658 1.00 12.14 C ATOM 376 CG GLU A 380 6.440 1.177 -10.395 1.00 45.51 C ATOM 377 CD GLU A 380 7.504 0.139 -10.637 1.00 14.25 C ATOM 378 OE1 GLU A 380 7.367 -0.668 -11.591 1.00 23.23 O ATOM 379 OE2 GLU A 380 8.500 0.111 -9.900 1.00 61.33 O ATOM 0 H GLU A 380 4.644 2.396 -7.547 1.00 10.34 H new ATOM 0 HA GLU A 380 3.995 2.209 -10.395 1.00 10.21 H new ATOM 0 HB2 GLU A 380 5.552 0.258 -8.689 1.00 12.14 H new ATOM 0 HB3 GLU A 380 4.822 -0.199 -10.215 1.00 12.14 H new ATOM 0 HG2 GLU A 380 6.119 1.587 -11.353 1.00 45.51 H new ATOM 0 HG3 GLU A 380 6.869 2.000 -9.824 1.00 45.51 H new ATOM 386 N ASN A 381 2.845 -0.032 -8.338 1.00 74.01 N ATOM 387 CA ASN A 381 1.662 -0.840 -8.050 1.00 61.11 C ATOM 388 C ASN A 381 1.837 -1.723 -6.820 1.00 43.13 C ATOM 389 O ASN A 381 2.972 -2.039 -6.426 1.00 71.52 O ATOM 390 CB ASN A 381 1.221 -1.664 -9.295 1.00 30.54 C ATOM 391 CG ASN A 381 2.362 -2.405 -10.025 1.00 34.44 C ATOM 392 OD1 ASN A 381 3.408 -2.790 -9.320 1.00 10.13 O flip ATOM 393 ND2 ASN A 381 2.283 -2.627 -11.237 1.00 23.51 N flip ATOM 0 H ASN A 381 3.700 -0.371 -7.896 1.00 74.01 H new ATOM 0 HA ASN A 381 0.858 -0.143 -7.812 1.00 61.11 H new ATOM 0 HB2 ASN A 381 0.475 -2.395 -8.983 1.00 30.54 H new ATOM 0 HB3 ASN A 381 0.733 -0.993 -10.002 1.00 30.54 H new ATOM 0 HD21 ASN A 381 1.463 -2.319 -11.760 1.00 23.51 H new ATOM 0 HD22 ASN A 381 3.038 -3.119 -11.716 1.00 23.51 H new ATOM 399 N VAL A 382 0.713 -2.107 -6.233 1.00 60.01 N ATOM 400 CA VAL A 382 0.658 -2.924 -5.018 1.00 22.23 C ATOM 401 C VAL A 382 0.054 -4.278 -5.344 1.00 4.24 C ATOM 402 O VAL A 382 -0.845 -4.373 -6.180 1.00 13.33 O ATOM 403 CB VAL A 382 -0.222 -2.238 -3.912 1.00 73.13 C ATOM 404 CG1 VAL A 382 -0.316 -3.079 -2.642 1.00 50.52 C ATOM 405 CG2 VAL A 382 0.317 -0.887 -3.574 1.00 52.33 C ATOM 0 H VAL A 382 -0.209 -1.857 -6.591 1.00 60.01 H new ATOM 0 HA VAL A 382 1.675 -3.037 -4.642 1.00 22.23 H new ATOM 0 HB VAL A 382 -1.226 -2.141 -4.326 1.00 73.13 H new ATOM 0 HG11 VAL A 382 -0.935 -2.562 -1.908 1.00 50.52 H new ATOM 0 HG12 VAL A 382 -0.763 -4.045 -2.877 1.00 50.52 H new ATOM 0 HG13 VAL A 382 0.682 -3.232 -2.232 1.00 50.52 H new ATOM 0 HG21 VAL A 382 -0.306 -0.428 -2.806 1.00 52.33 H new ATOM 0 HG22 VAL A 382 1.337 -0.985 -3.203 1.00 52.33 H new ATOM 0 HG23 VAL A 382 0.314 -0.260 -4.466 1.00 52.33 H new ATOM 411 N PHE A 383 0.543 -5.310 -4.696 1.00 74.43 N ATOM 412 CA PHE A 383 0.056 -6.658 -4.898 1.00 32.22 C ATOM 413 C PHE A 383 -0.177 -7.361 -3.583 1.00 12.14 C ATOM 414 O PHE A 383 0.514 -7.105 -2.595 1.00 43.35 O ATOM 415 CB PHE A 383 1.028 -7.494 -5.757 1.00 11.12 C ATOM 416 CG PHE A 383 1.146 -7.032 -7.174 1.00 55.31 C ATOM 417 CD1 PHE A 383 1.954 -5.971 -7.501 1.00 32.03 C ATOM 418 CD2 PHE A 383 0.436 -7.662 -8.177 1.00 12.30 C ATOM 419 CE1 PHE A 383 2.054 -5.540 -8.792 1.00 42.21 C ATOM 420 CE2 PHE A 383 0.535 -7.233 -9.480 1.00 62.22 C ATOM 421 CZ PHE A 383 1.347 -6.166 -9.786 1.00 0.13 C ATOM 0 H PHE A 383 1.294 -5.239 -4.010 1.00 74.43 H new ATOM 0 HA PHE A 383 -0.892 -6.569 -5.428 1.00 32.22 H new ATOM 0 HB2 PHE A 383 2.015 -7.470 -5.296 1.00 11.12 H new ATOM 0 HB3 PHE A 383 0.698 -8.533 -5.752 1.00 11.12 H new ATOM 0 HD1 PHE A 383 2.517 -5.471 -6.727 1.00 32.03 H new ATOM 0 HD2 PHE A 383 -0.203 -8.499 -7.936 1.00 12.30 H new ATOM 0 HE1 PHE A 383 2.693 -4.703 -9.032 1.00 42.21 H new ATOM 0 HE2 PHE A 383 -0.022 -7.732 -10.259 1.00 62.22 H new ATOM 0 HZ PHE A 383 1.428 -5.822 -10.807 1.00 0.13 H new ATOM 431 N GLN A 384 -1.165 -8.215 -3.576 1.00 53.32 N ATOM 432 CA GLN A 384 -1.450 -9.074 -2.472 1.00 4.20 C ATOM 433 C GLN A 384 -1.183 -10.480 -2.942 1.00 73.22 C ATOM 434 O GLN A 384 -2.009 -11.068 -3.656 1.00 60.34 O ATOM 435 CB GLN A 384 -2.904 -8.960 -2.039 1.00 4.14 C ATOM 436 CG GLN A 384 -3.257 -9.823 -0.839 1.00 62.31 C ATOM 437 CD GLN A 384 -4.733 -9.831 -0.550 1.00 13.44 C ATOM 438 OE1 GLN A 384 -5.483 -10.662 -1.071 1.00 22.34 O ATOM 439 NE2 GLN A 384 -5.166 -8.922 0.253 1.00 20.13 N ATOM 0 H GLN A 384 -1.807 -8.331 -4.360 1.00 53.32 H new ATOM 0 HA GLN A 384 -0.832 -8.800 -1.617 1.00 4.20 H new ATOM 0 HB2 GLN A 384 -3.122 -7.919 -1.802 1.00 4.14 H new ATOM 0 HB3 GLN A 384 -3.545 -9.238 -2.876 1.00 4.14 H new ATOM 0 HG2 GLN A 384 -2.919 -10.844 -1.018 1.00 62.31 H new ATOM 0 HG3 GLN A 384 -2.720 -9.459 0.037 1.00 62.31 H new ATOM 0 HE21 GLN A 384 -4.515 -8.253 0.664 1.00 20.13 H new ATOM 0 HE22 GLN A 384 -6.160 -8.871 0.478 1.00 20.13 H new ATOM 447 N ASP A 385 -0.020 -10.977 -2.598 1.00 22.41 N ATOM 448 CA ASP A 385 0.479 -12.308 -2.993 1.00 42.24 C ATOM 449 C ASP A 385 0.798 -12.324 -4.472 1.00 14.13 C ATOM 450 O ASP A 385 1.946 -12.238 -4.871 1.00 34.40 O ATOM 451 CB ASP A 385 -0.522 -13.427 -2.681 1.00 54.04 C ATOM 452 CG ASP A 385 0.078 -14.809 -2.866 1.00 62.43 C ATOM 453 OD1 ASP A 385 0.023 -15.357 -3.995 1.00 61.05 O ATOM 454 OD2 ASP A 385 0.616 -15.368 -1.891 1.00 11.11 O ATOM 0 H ASP A 385 0.641 -10.463 -2.016 1.00 22.41 H new ATOM 0 HA ASP A 385 1.380 -12.495 -2.408 1.00 42.24 H new ATOM 0 HB2 ASP A 385 -0.873 -13.321 -1.655 1.00 54.04 H new ATOM 0 HB3 ASP A 385 -1.393 -13.322 -3.328 1.00 54.04 H new ATOM 459 N SER A 386 -0.239 -12.413 -5.266 1.00 52.02 N ATOM 460 CA SER A 386 -0.134 -12.418 -6.699 1.00 12.34 C ATOM 461 C SER A 386 -1.253 -11.539 -7.287 1.00 64.03 C ATOM 462 O SER A 386 -1.294 -11.287 -8.485 1.00 73.40 O ATOM 463 CB SER A 386 -0.268 -13.855 -7.221 1.00 53.15 C ATOM 464 OG SER A 386 0.684 -14.732 -6.598 1.00 14.51 O ATOM 0 H SER A 386 -1.198 -12.485 -4.925 1.00 52.02 H new ATOM 0 HA SER A 386 0.836 -12.022 -7.000 1.00 12.34 H new ATOM 0 HB2 SER A 386 -1.278 -14.219 -7.032 1.00 53.15 H new ATOM 0 HB3 SER A 386 -0.122 -13.866 -8.301 1.00 53.15 H new ATOM 0 HG SER A 386 0.456 -14.843 -5.651 1.00 14.51 H new ATOM 470 N ILE A 387 -2.153 -11.069 -6.419 1.00 52.24 N ATOM 471 CA ILE A 387 -3.292 -10.257 -6.859 1.00 71.44 C ATOM 472 C ILE A 387 -2.878 -8.804 -6.968 1.00 5.33 C ATOM 473 O ILE A 387 -2.235 -8.281 -6.068 1.00 2.42 O ATOM 474 CB ILE A 387 -4.465 -10.345 -5.840 1.00 22.21 C ATOM 475 CG1 ILE A 387 -4.890 -11.797 -5.632 1.00 3.32 C ATOM 476 CG2 ILE A 387 -5.661 -9.499 -6.305 1.00 71.13 C ATOM 477 CD1 ILE A 387 -5.999 -11.963 -4.620 1.00 10.50 C ATOM 0 H ILE A 387 -2.116 -11.235 -5.413 1.00 52.24 H new ATOM 0 HA ILE A 387 -3.617 -10.639 -7.827 1.00 71.44 H new ATOM 0 HB ILE A 387 -4.114 -9.946 -4.888 1.00 22.21 H new ATOM 0 HG12 ILE A 387 -5.215 -12.212 -6.586 1.00 3.32 H new ATOM 0 HG13 ILE A 387 -4.025 -12.377 -5.310 1.00 3.32 H new ATOM 0 HG21 ILE A 387 -6.467 -9.577 -5.576 1.00 71.13 H new ATOM 0 HG22 ILE A 387 -5.355 -8.457 -6.398 1.00 71.13 H new ATOM 0 HG23 ILE A 387 -6.010 -9.862 -7.272 1.00 71.13 H new ATOM 0 HD11 ILE A 387 -6.249 -13.020 -4.524 1.00 10.50 H new ATOM 0 HD12 ILE A 387 -5.671 -11.579 -3.654 1.00 10.50 H new ATOM 0 HD13 ILE A 387 -6.879 -11.411 -4.950 1.00 10.50 H new ATOM 484 N LEU A 388 -3.256 -8.149 -8.044 1.00 55.43 N ATOM 485 CA LEU A 388 -2.974 -6.737 -8.195 1.00 12.42 C ATOM 486 C LEU A 388 -3.943 -5.968 -7.334 1.00 41.51 C ATOM 487 O LEU A 388 -5.151 -5.984 -7.563 1.00 54.21 O ATOM 488 CB LEU A 388 -3.081 -6.299 -9.664 1.00 1.02 C ATOM 489 CG LEU A 388 -2.938 -4.790 -9.937 1.00 10.42 C ATOM 490 CD1 LEU A 388 -1.589 -4.258 -9.491 1.00 70.34 C ATOM 491 CD2 LEU A 388 -3.181 -4.483 -11.400 1.00 72.41 C ATOM 0 H LEU A 388 -3.758 -8.570 -8.826 1.00 55.43 H new ATOM 0 HA LEU A 388 -1.951 -6.534 -7.879 1.00 12.42 H new ATOM 0 HB2 LEU A 388 -2.315 -6.824 -10.235 1.00 1.02 H new ATOM 0 HB3 LEU A 388 -4.046 -6.627 -10.050 1.00 1.02 H new ATOM 0 HG LEU A 388 -3.698 -4.280 -9.345 1.00 10.42 H new ATOM 0 HD11 LEU A 388 -1.531 -3.190 -9.702 1.00 70.34 H new ATOM 0 HD12 LEU A 388 -1.469 -4.423 -8.420 1.00 70.34 H new ATOM 0 HD13 LEU A 388 -0.797 -4.778 -10.030 1.00 70.34 H new ATOM 0 HD21 LEU A 388 -3.075 -3.412 -11.569 1.00 72.41 H new ATOM 0 HD22 LEU A 388 -2.455 -5.021 -12.010 1.00 72.41 H new ATOM 0 HD23 LEU A 388 -4.188 -4.796 -11.675 1.00 72.41 H new ATOM 499 N LEU A 389 -3.426 -5.334 -6.337 1.00 24.44 N ATOM 500 CA LEU A 389 -4.201 -4.645 -5.408 1.00 65.34 C ATOM 501 C LEU A 389 -4.607 -3.312 -5.995 1.00 22.54 C ATOM 502 O LEU A 389 -5.771 -3.070 -6.217 1.00 10.51 O ATOM 503 CB LEU A 389 -3.340 -4.466 -4.199 1.00 73.52 C ATOM 504 CG LEU A 389 -3.997 -4.277 -2.870 1.00 23.42 C ATOM 505 CD1 LEU A 389 -4.912 -3.069 -2.807 1.00 5.54 C ATOM 506 CD2 LEU A 389 -4.680 -5.543 -2.418 1.00 44.53 C ATOM 0 H LEU A 389 -2.423 -5.290 -6.156 1.00 24.44 H new ATOM 0 HA LEU A 389 -5.114 -5.180 -5.147 1.00 65.34 H new ATOM 0 HB2 LEU A 389 -2.690 -5.337 -4.125 1.00 73.52 H new ATOM 0 HB3 LEU A 389 -2.698 -3.603 -4.376 1.00 73.52 H new ATOM 0 HG LEU A 389 -3.199 -4.057 -2.161 1.00 23.42 H new ATOM 0 HD11 LEU A 389 -5.352 -2.997 -1.812 1.00 5.54 H new ATOM 0 HD12 LEU A 389 -4.338 -2.166 -3.015 1.00 5.54 H new ATOM 0 HD13 LEU A 389 -5.705 -3.174 -3.548 1.00 5.54 H new ATOM 0 HD21 LEU A 389 -5.150 -5.377 -1.448 1.00 44.53 H new ATOM 0 HD22 LEU A 389 -5.441 -5.826 -3.146 1.00 44.53 H new ATOM 0 HD23 LEU A 389 -3.944 -6.343 -2.333 1.00 44.53 H new ATOM 514 N GLY A 390 -3.650 -2.466 -6.260 1.00 10.21 N ATOM 515 CA GLY A 390 -3.972 -1.187 -6.776 1.00 5.45 C ATOM 516 C GLY A 390 -2.802 -0.553 -7.440 1.00 45.40 C ATOM 517 O GLY A 390 -1.649 -0.906 -7.151 1.00 54.14 O ATOM 0 H GLY A 390 -2.655 -2.646 -6.125 1.00 10.21 H new ATOM 0 HA2 GLY A 390 -4.791 -1.278 -7.490 1.00 5.45 H new ATOM 0 HA3 GLY A 390 -4.323 -0.546 -5.968 1.00 5.45 H new ATOM 521 N ASN A 391 -3.078 0.353 -8.318 1.00 51.13 N ATOM 522 CA ASN A 391 -2.066 1.123 -8.988 1.00 4.54 C ATOM 523 C ASN A 391 -1.968 2.439 -8.309 1.00 32.11 C ATOM 524 O ASN A 391 -2.962 2.950 -7.808 1.00 31.24 O ATOM 525 CB ASN A 391 -2.406 1.332 -10.465 1.00 32.30 C ATOM 526 CG ASN A 391 -2.302 0.072 -11.287 1.00 72.11 C ATOM 527 OD1 ASN A 391 -1.258 -0.224 -11.829 1.00 40.42 O ATOM 528 ND2 ASN A 391 -3.378 -0.665 -11.391 1.00 72.34 N ATOM 0 H ASN A 391 -4.029 0.589 -8.600 1.00 51.13 H new ATOM 0 HA ASN A 391 -1.119 0.586 -8.942 1.00 4.54 H new ATOM 0 HB2 ASN A 391 -3.419 1.727 -10.545 1.00 32.30 H new ATOM 0 HB3 ASN A 391 -1.737 2.085 -10.881 1.00 32.30 H new ATOM 0 HD21 ASN A 391 -3.357 -1.522 -11.943 1.00 72.34 H new ATOM 0 HD22 ASN A 391 -4.237 -0.382 -10.920 1.00 72.34 H new ATOM 534 N PHE A 392 -0.805 2.989 -8.274 1.00 22.45 N ATOM 535 CA PHE A 392 -0.592 4.245 -7.596 1.00 30.53 C ATOM 536 C PHE A 392 -1.297 5.372 -8.302 1.00 74.11 C ATOM 537 O PHE A 392 -0.996 5.688 -9.454 1.00 25.43 O ATOM 538 CB PHE A 392 0.893 4.526 -7.414 1.00 41.53 C ATOM 539 CG PHE A 392 1.571 3.655 -6.386 1.00 31.32 C ATOM 540 CD1 PHE A 392 1.357 2.291 -6.339 1.00 41.31 C ATOM 541 CD2 PHE A 392 2.446 4.210 -5.483 1.00 65.53 C ATOM 542 CE1 PHE A 392 2.003 1.514 -5.419 1.00 71.31 C ATOM 543 CE2 PHE A 392 3.089 3.435 -4.557 1.00 73.15 C ATOM 544 CZ PHE A 392 2.868 2.091 -4.525 1.00 13.04 C ATOM 0 H PHE A 392 0.029 2.594 -8.708 1.00 22.45 H new ATOM 0 HA PHE A 392 -1.029 4.168 -6.600 1.00 30.53 H new ATOM 0 HB2 PHE A 392 1.395 4.394 -8.372 1.00 41.53 H new ATOM 0 HB3 PHE A 392 1.020 5.570 -7.128 1.00 41.53 H new ATOM 0 HD1 PHE A 392 0.672 1.834 -7.037 1.00 41.31 H new ATOM 0 HD2 PHE A 392 2.629 5.274 -5.505 1.00 65.53 H new ATOM 0 HE1 PHE A 392 1.833 0.448 -5.396 1.00 71.31 H new ATOM 0 HE2 PHE A 392 3.771 3.888 -3.852 1.00 73.15 H new ATOM 0 HZ PHE A 392 3.375 1.479 -3.794 1.00 13.04 H new ATOM 554 N ALA A 393 -2.238 5.969 -7.619 1.00 63.12 N ATOM 555 CA ALA A 393 -3.027 7.018 -8.190 1.00 30.12 C ATOM 556 C ALA A 393 -2.501 8.383 -7.791 1.00 0.43 C ATOM 557 O ALA A 393 -2.343 9.265 -8.637 1.00 0.12 O ATOM 558 CB ALA A 393 -4.483 6.859 -7.782 1.00 35.41 C ATOM 0 H ALA A 393 -2.475 5.739 -6.654 1.00 63.12 H new ATOM 0 HA ALA A 393 -2.958 6.945 -9.275 1.00 30.12 H new ATOM 0 HB1 ALA A 393 -5.074 7.662 -8.222 1.00 35.41 H new ATOM 0 HB2 ALA A 393 -4.857 5.898 -8.135 1.00 35.41 H new ATOM 0 HB3 ALA A 393 -4.563 6.902 -6.696 1.00 35.41 H new ATOM 564 N SER A 394 -2.234 8.576 -6.507 1.00 42.51 N ATOM 565 CA SER A 394 -1.720 9.850 -6.031 1.00 4.52 C ATOM 566 C SER A 394 -0.946 9.650 -4.742 1.00 1.22 C ATOM 567 O SER A 394 -1.228 8.719 -3.988 1.00 61.24 O ATOM 568 CB SER A 394 -2.890 10.813 -5.766 1.00 14.45 C ATOM 569 OG SER A 394 -3.705 10.969 -6.929 1.00 4.51 O ATOM 0 H SER A 394 -2.364 7.871 -5.781 1.00 42.51 H new ATOM 0 HA SER A 394 -1.060 10.268 -6.791 1.00 4.52 H new ATOM 0 HB2 SER A 394 -3.496 10.435 -4.942 1.00 14.45 H new ATOM 0 HB3 SER A 394 -2.502 11.784 -5.458 1.00 14.45 H new ATOM 0 HG SER A 394 -4.442 11.585 -6.732 1.00 4.51 H new ATOM 575 N GLN A 395 0.050 10.480 -4.511 1.00 40.12 N ATOM 576 CA GLN A 395 0.749 10.481 -3.245 1.00 22.32 C ATOM 577 C GLN A 395 0.860 11.916 -2.806 1.00 70.40 C ATOM 578 O GLN A 395 1.267 12.776 -3.595 1.00 11.43 O ATOM 579 CB GLN A 395 2.195 9.917 -3.304 1.00 63.52 C ATOM 580 CG GLN A 395 2.417 8.550 -3.978 1.00 11.54 C ATOM 581 CD GLN A 395 2.188 8.551 -5.471 1.00 42.13 C ATOM 582 OE1 GLN A 395 2.362 9.552 -6.133 1.00 24.44 O ATOM 583 NE2 GLN A 395 1.853 7.421 -6.008 1.00 41.42 N ATOM 0 H GLN A 395 0.393 11.164 -5.186 1.00 40.12 H new ATOM 0 HA GLN A 395 0.182 9.840 -2.569 1.00 22.32 H new ATOM 0 HB2 GLN A 395 2.816 10.648 -3.821 1.00 63.52 H new ATOM 0 HB3 GLN A 395 2.567 9.848 -2.282 1.00 63.52 H new ATOM 0 HG2 GLN A 395 3.437 8.220 -3.778 1.00 11.54 H new ATOM 0 HG3 GLN A 395 1.750 7.819 -3.520 1.00 11.54 H new ATOM 0 HE21 GLN A 395 1.715 6.598 -5.421 1.00 41.42 H new ATOM 0 HE22 GLN A 395 1.728 7.354 -7.018 1.00 41.42 H new ATOM 591 N GLU A 396 0.502 12.183 -1.600 1.00 21.15 N ATOM 592 CA GLU A 396 0.624 13.503 -1.059 1.00 24.42 C ATOM 593 C GLU A 396 1.378 13.418 0.246 1.00 44.43 C ATOM 594 O GLU A 396 0.870 12.864 1.232 1.00 5.22 O ATOM 595 CB GLU A 396 -0.752 14.143 -0.857 1.00 21.52 C ATOM 596 CG GLU A 396 -0.699 15.550 -0.283 1.00 24.31 C ATOM 597 CD GLU A 396 -2.064 16.132 -0.062 1.00 43.53 C ATOM 598 OE1 GLU A 396 -2.737 15.734 0.910 1.00 61.13 O ATOM 599 OE2 GLU A 396 -2.487 17.015 -0.840 1.00 1.23 O ATOM 0 H GLU A 396 0.115 11.495 -0.954 1.00 21.15 H new ATOM 0 HA GLU A 396 1.171 14.136 -1.758 1.00 24.42 H new ATOM 0 HB2 GLU A 396 -1.273 14.171 -1.814 1.00 21.52 H new ATOM 0 HB3 GLU A 396 -1.341 13.512 -0.192 1.00 21.52 H new ATOM 0 HG2 GLU A 396 -0.157 15.533 0.663 1.00 24.31 H new ATOM 0 HG3 GLU A 396 -0.138 16.194 -0.960 1.00 24.31 H new ATOM 606 N GLY A 397 2.589 13.933 0.246 1.00 21.22 N ATOM 607 CA GLY A 397 3.428 13.886 1.418 1.00 53.43 C ATOM 608 C GLY A 397 3.853 12.476 1.745 1.00 0.44 C ATOM 609 O GLY A 397 4.739 11.911 1.103 1.00 64.35 O ATOM 0 H GLY A 397 3.014 14.391 -0.560 1.00 21.22 H new ATOM 0 HA2 GLY A 397 4.311 14.504 1.258 1.00 53.43 H new ATOM 0 HA3 GLY A 397 2.891 14.310 2.267 1.00 53.43 H new ATOM 613 N ASN A 398 3.205 11.906 2.716 1.00 2.34 N ATOM 614 CA ASN A 398 3.499 10.564 3.159 1.00 55.24 C ATOM 615 C ASN A 398 2.253 9.701 3.057 1.00 53.22 C ATOM 616 O ASN A 398 2.159 8.637 3.670 1.00 35.52 O ATOM 617 CB ASN A 398 4.007 10.572 4.612 1.00 61.01 C ATOM 618 CG ASN A 398 2.996 11.114 5.631 1.00 53.14 C ATOM 619 OD1 ASN A 398 2.185 12.009 5.342 1.00 2.24 O ATOM 620 ND2 ASN A 398 3.013 10.564 6.804 1.00 73.13 N ATOM 0 H ASN A 398 2.450 12.358 3.232 1.00 2.34 H new ATOM 0 HA ASN A 398 4.279 10.152 2.519 1.00 55.24 H new ATOM 0 HB2 ASN A 398 4.281 9.555 4.895 1.00 61.01 H new ATOM 0 HB3 ASN A 398 4.915 11.173 4.664 1.00 61.01 H new ATOM 0 HD21 ASN A 398 2.349 10.864 7.518 1.00 73.13 H new ATOM 0 HD22 ASN A 398 3.690 9.831 7.014 1.00 73.13 H new ATOM 626 N VAL A 399 1.313 10.142 2.256 1.00 54.52 N ATOM 627 CA VAL A 399 0.071 9.425 2.101 1.00 64.12 C ATOM 628 C VAL A 399 -0.053 9.001 0.661 1.00 21.20 C ATOM 629 O VAL A 399 -0.064 9.843 -0.241 1.00 41.43 O ATOM 630 CB VAL A 399 -1.154 10.290 2.497 1.00 71.01 C ATOM 631 CG1 VAL A 399 -2.441 9.482 2.402 1.00 62.15 C ATOM 632 CG2 VAL A 399 -0.986 10.867 3.897 1.00 13.51 C ATOM 0 H VAL A 399 1.385 10.995 1.701 1.00 54.52 H new ATOM 0 HA VAL A 399 0.083 8.560 2.764 1.00 64.12 H new ATOM 0 HB VAL A 399 -1.218 11.120 1.794 1.00 71.01 H new ATOM 0 HG11 VAL A 399 -3.286 10.110 2.684 1.00 62.15 H new ATOM 0 HG12 VAL A 399 -2.576 9.131 1.379 1.00 62.15 H new ATOM 0 HG13 VAL A 399 -2.384 8.626 3.075 1.00 62.15 H new ATOM 0 HG21 VAL A 399 -1.859 11.469 4.150 1.00 13.51 H new ATOM 0 HG22 VAL A 399 -0.886 10.054 4.616 1.00 13.51 H new ATOM 0 HG23 VAL A 399 -0.093 11.491 3.928 1.00 13.51 H new ATOM 638 N LEU A 400 -0.121 7.724 0.443 1.00 60.44 N ATOM 639 CA LEU A 400 -0.168 7.185 -0.883 1.00 44.32 C ATOM 640 C LEU A 400 -1.496 6.497 -1.133 1.00 1.33 C ATOM 641 O LEU A 400 -1.946 5.671 -0.340 1.00 40.13 O ATOM 642 CB LEU A 400 1.009 6.215 -1.154 1.00 40.21 C ATOM 643 CG LEU A 400 2.470 6.768 -1.122 1.00 31.42 C ATOM 644 CD1 LEU A 400 2.926 7.198 0.259 1.00 61.11 C ATOM 645 CD2 LEU A 400 3.437 5.760 -1.707 1.00 23.25 C ATOM 0 H LEU A 400 -0.146 7.022 1.183 1.00 60.44 H new ATOM 0 HA LEU A 400 -0.069 8.019 -1.578 1.00 44.32 H new ATOM 0 HB2 LEU A 400 0.946 5.409 -0.423 1.00 40.21 H new ATOM 0 HB3 LEU A 400 0.848 5.768 -2.135 1.00 40.21 H new ATOM 0 HG LEU A 400 2.465 7.667 -1.738 1.00 31.42 H new ATOM 0 HD11 LEU A 400 3.949 7.571 0.205 1.00 61.11 H new ATOM 0 HD12 LEU A 400 2.271 7.987 0.629 1.00 61.11 H new ATOM 0 HD13 LEU A 400 2.886 6.346 0.937 1.00 61.11 H new ATOM 0 HD21 LEU A 400 4.448 6.165 -1.675 1.00 23.25 H new ATOM 0 HD22 LEU A 400 3.397 4.838 -1.127 1.00 23.25 H new ATOM 0 HD23 LEU A 400 3.163 5.550 -2.741 1.00 23.25 H new ATOM 653 N LYS A 401 -2.120 6.842 -2.226 1.00 11.34 N ATOM 654 CA LYS A 401 -3.399 6.292 -2.575 1.00 20.54 C ATOM 655 C LYS A 401 -3.280 5.434 -3.823 1.00 14.40 C ATOM 656 O LYS A 401 -2.771 5.893 -4.862 1.00 64.03 O ATOM 657 CB LYS A 401 -4.398 7.418 -2.811 1.00 53.44 C ATOM 658 CG LYS A 401 -5.813 6.937 -3.066 1.00 11.54 C ATOM 659 CD LYS A 401 -6.324 6.092 -1.912 1.00 72.01 C ATOM 660 CE LYS A 401 -7.732 5.585 -2.172 1.00 13.14 C ATOM 661 NZ LYS A 401 -8.718 6.685 -2.314 1.00 41.13 N ATOM 0 H LYS A 401 -1.754 7.514 -2.900 1.00 11.34 H new ATOM 0 HA LYS A 401 -3.750 5.668 -1.754 1.00 20.54 H new ATOM 0 HB2 LYS A 401 -4.399 8.078 -1.943 1.00 53.44 H new ATOM 0 HB3 LYS A 401 -4.067 8.012 -3.663 1.00 53.44 H new ATOM 0 HG2 LYS A 401 -6.470 7.794 -3.211 1.00 11.54 H new ATOM 0 HG3 LYS A 401 -5.841 6.354 -3.987 1.00 11.54 H new ATOM 0 HD2 LYS A 401 -5.655 5.246 -1.755 1.00 72.01 H new ATOM 0 HD3 LYS A 401 -6.312 6.682 -0.995 1.00 72.01 H new ATOM 0 HE2 LYS A 401 -7.735 4.980 -3.079 1.00 13.14 H new ATOM 0 HE3 LYS A 401 -8.036 4.933 -1.353 1.00 13.14 H new ATOM 0 HZ1 LYS A 401 -9.681 6.292 -2.303 1.00 41.13 H new ATOM 0 HZ2 LYS A 401 -8.608 7.354 -1.525 1.00 41.13 H new ATOM 0 HZ3 LYS A 401 -8.557 7.181 -3.214 1.00 41.13 H new ATOM 675 N TYR A 402 -3.729 4.199 -3.733 1.00 13.11 N ATOM 676 CA TYR A 402 -3.650 3.286 -4.853 1.00 70.42 C ATOM 677 C TYR A 402 -5.062 2.876 -5.234 1.00 3.12 C ATOM 678 O TYR A 402 -5.870 2.589 -4.352 1.00 31.11 O ATOM 679 CB TYR A 402 -2.853 2.029 -4.472 1.00 52.05 C ATOM 680 CG TYR A 402 -1.716 2.287 -3.521 1.00 5.42 C ATOM 681 CD1 TYR A 402 -0.716 3.164 -3.830 1.00 44.04 C ATOM 682 CD2 TYR A 402 -1.665 1.654 -2.292 1.00 30.54 C ATOM 683 CE1 TYR A 402 0.304 3.406 -2.959 1.00 53.13 C ATOM 684 CE2 TYR A 402 -0.636 1.895 -1.418 1.00 74.12 C ATOM 685 CZ TYR A 402 0.344 2.771 -1.761 1.00 11.11 C ATOM 686 OH TYR A 402 1.386 3.014 -0.898 1.00 20.25 O ATOM 0 H TYR A 402 -4.153 3.804 -2.894 1.00 13.11 H new ATOM 0 HA TYR A 402 -3.148 3.779 -5.685 1.00 70.42 H new ATOM 0 HB2 TYR A 402 -3.531 1.304 -4.022 1.00 52.05 H new ATOM 0 HB3 TYR A 402 -2.457 1.574 -5.380 1.00 52.05 H new ATOM 0 HD1 TYR A 402 -0.734 3.675 -4.781 1.00 44.04 H new ATOM 0 HD2 TYR A 402 -2.446 0.961 -2.017 1.00 30.54 H new ATOM 0 HE1 TYR A 402 1.083 4.106 -3.224 1.00 53.13 H new ATOM 0 HE2 TYR A 402 -0.605 1.392 -0.463 1.00 74.12 H new ATOM 0 HH TYR A 402 2.231 2.767 -1.328 1.00 20.25 H new ATOM 696 N GLU A 403 -5.357 2.843 -6.515 1.00 24.42 N ATOM 697 CA GLU A 403 -6.680 2.485 -6.999 1.00 43.01 C ATOM 698 C GLU A 403 -6.574 1.711 -8.286 1.00 61.42 C ATOM 699 O GLU A 403 -5.481 1.550 -8.832 1.00 35.51 O ATOM 700 CB GLU A 403 -7.549 3.720 -7.278 1.00 14.23 C ATOM 701 CG GLU A 403 -7.836 4.616 -6.099 1.00 43.33 C ATOM 702 CD GLU A 403 -8.800 5.700 -6.472 1.00 2.54 C ATOM 703 OE1 GLU A 403 -8.364 6.775 -6.948 1.00 53.24 O ATOM 704 OE2 GLU A 403 -10.010 5.497 -6.317 1.00 3.05 O ATOM 0 H GLU A 403 -4.689 3.063 -7.254 1.00 24.42 H new ATOM 0 HA GLU A 403 -7.143 1.887 -6.214 1.00 43.01 H new ATOM 0 HB2 GLU A 403 -7.060 4.315 -8.049 1.00 14.23 H new ATOM 0 HB3 GLU A 403 -8.500 3.383 -7.691 1.00 14.23 H new ATOM 0 HG2 GLU A 403 -8.246 4.025 -5.280 1.00 43.33 H new ATOM 0 HG3 GLU A 403 -6.907 5.058 -5.739 1.00 43.33 H new ATOM 711 N ASN A 404 -7.715 1.227 -8.758 1.00 53.44 N ATOM 712 CA ASN A 404 -7.845 0.581 -10.066 1.00 13.03 C ATOM 713 C ASN A 404 -6.968 -0.649 -10.187 1.00 43.24 C ATOM 714 O ASN A 404 -6.349 -0.886 -11.224 1.00 31.21 O ATOM 715 CB ASN A 404 -7.540 1.582 -11.199 1.00 22.02 C ATOM 716 CG ASN A 404 -8.456 2.801 -11.205 1.00 3.21 C ATOM 717 OD1 ASN A 404 -9.679 2.653 -10.737 1.00 1.41 O flip ATOM 718 ND2 ASN A 404 -8.051 3.878 -11.623 1.00 63.32 N flip ATOM 0 H ASN A 404 -8.592 1.271 -8.239 1.00 53.44 H new ATOM 0 HA ASN A 404 -8.879 0.248 -10.160 1.00 13.03 H new ATOM 0 HB2 ASN A 404 -6.506 1.916 -11.108 1.00 22.02 H new ATOM 0 HB3 ASN A 404 -7.626 1.070 -12.157 1.00 22.02 H new ATOM 0 HD21 ASN A 404 -7.099 3.961 -11.979 1.00 63.32 H new ATOM 0 HD22 ASN A 404 -8.666 4.692 -11.615 1.00 63.32 H new ATOM 724 N GLY A 405 -6.925 -1.435 -9.135 1.00 64.53 N ATOM 725 CA GLY A 405 -6.199 -2.682 -9.182 1.00 24.32 C ATOM 726 C GLY A 405 -6.970 -3.763 -9.920 1.00 25.21 C ATOM 727 O GLY A 405 -7.609 -3.498 -10.944 1.00 52.44 O ATOM 0 H GLY A 405 -7.380 -1.235 -8.244 1.00 64.53 H new ATOM 0 HA2 GLY A 405 -5.238 -2.524 -9.672 1.00 24.32 H new ATOM 0 HA3 GLY A 405 -5.988 -3.017 -8.166 1.00 24.32 H new ATOM 731 N GLN A 406 -6.942 -4.962 -9.404 1.00 41.00 N ATOM 732 CA GLN A 406 -7.608 -6.069 -10.051 1.00 12.41 C ATOM 733 C GLN A 406 -9.100 -6.024 -9.696 1.00 3.50 C ATOM 734 O GLN A 406 -9.467 -5.651 -8.567 1.00 44.23 O ATOM 735 CB GLN A 406 -6.896 -7.407 -9.664 1.00 35.32 C ATOM 736 CG GLN A 406 -7.306 -8.664 -10.446 1.00 63.34 C ATOM 737 CD GLN A 406 -8.637 -9.244 -10.050 1.00 64.34 C ATOM 738 OE1 GLN A 406 -8.950 -9.181 -8.785 1.00 22.54 O flip ATOM 739 NE2 GLN A 406 -9.347 -9.809 -10.880 1.00 14.43 N flip ATOM 0 H GLN A 406 -6.465 -5.202 -8.535 1.00 41.00 H new ATOM 0 HA GLN A 406 -7.542 -5.999 -11.137 1.00 12.41 H new ATOM 0 HB2 GLN A 406 -5.822 -7.267 -9.786 1.00 35.32 H new ATOM 0 HB3 GLN A 406 -7.075 -7.593 -8.605 1.00 35.32 H new ATOM 0 HG2 GLN A 406 -7.332 -8.422 -11.509 1.00 63.34 H new ATOM 0 HG3 GLN A 406 -6.538 -9.426 -10.311 1.00 63.34 H new ATOM 0 HE21 GLN A 406 -9.064 -9.835 -11.860 1.00 14.43 H new ATOM 0 HE22 GLN A 406 -10.218 -10.252 -10.589 1.00 14.43 H new ATOM 747 N SER A 407 -9.936 -6.327 -10.670 1.00 22.25 N ATOM 748 CA SER A 407 -11.378 -6.285 -10.532 1.00 20.22 C ATOM 749 C SER A 407 -11.916 -7.231 -9.462 1.00 54.14 C ATOM 750 O SER A 407 -11.682 -8.432 -9.487 1.00 33.42 O ATOM 751 CB SER A 407 -12.028 -6.614 -11.864 1.00 35.21 C ATOM 752 OG SER A 407 -11.607 -5.715 -12.879 1.00 74.44 O ATOM 0 H SER A 407 -9.625 -6.615 -11.598 1.00 22.25 H new ATOM 0 HA SER A 407 -11.629 -5.273 -10.215 1.00 20.22 H new ATOM 0 HB2 SER A 407 -11.776 -7.635 -12.152 1.00 35.21 H new ATOM 0 HB3 SER A 407 -13.112 -6.570 -11.763 1.00 35.21 H new ATOM 0 HG SER A 407 -12.040 -5.951 -13.726 1.00 74.44 H new ATOM 758 N CYS A 408 -12.628 -6.669 -8.545 1.00 50.44 N ATOM 759 CA CYS A 408 -13.314 -7.404 -7.527 1.00 10.03 C ATOM 760 C CYS A 408 -14.780 -7.490 -7.956 1.00 61.24 C ATOM 761 O CYS A 408 -15.200 -6.706 -8.803 1.00 1.53 O ATOM 762 CB CYS A 408 -13.137 -6.700 -6.185 1.00 50.44 C ATOM 763 SG CYS A 408 -13.615 -4.940 -6.191 1.00 52.21 S ATOM 0 H CYS A 408 -12.755 -5.659 -8.477 1.00 50.44 H new ATOM 0 HA CYS A 408 -12.916 -8.411 -7.404 1.00 10.03 H new ATOM 0 HB2 CYS A 408 -13.729 -7.222 -5.433 1.00 50.44 H new ATOM 0 HB3 CYS A 408 -12.093 -6.780 -5.881 1.00 50.44 H new ATOM 768 N TRP A 409 -15.544 -8.433 -7.444 1.00 0.55 N ATOM 769 CA TRP A 409 -16.917 -8.587 -7.923 1.00 11.35 C ATOM 770 C TRP A 409 -17.836 -7.592 -7.229 1.00 74.20 C ATOM 771 O TRP A 409 -18.843 -7.149 -7.786 1.00 75.42 O ATOM 772 CB TRP A 409 -17.439 -10.040 -7.695 1.00 63.25 C ATOM 773 CG TRP A 409 -18.104 -10.297 -6.372 1.00 74.23 C ATOM 774 CD1 TRP A 409 -17.535 -10.699 -5.226 1.00 64.54 C ATOM 775 CD2 TRP A 409 -19.499 -10.161 -6.104 1.00 54.25 C ATOM 776 NE1 TRP A 409 -18.489 -10.824 -4.242 1.00 5.22 N ATOM 777 CE2 TRP A 409 -19.707 -10.497 -4.767 1.00 61.24 C ATOM 778 CE3 TRP A 409 -20.582 -9.782 -6.885 1.00 41.01 C ATOM 779 CZ2 TRP A 409 -20.969 -10.463 -4.178 1.00 22.31 C ATOM 780 CZ3 TRP A 409 -21.834 -9.747 -6.313 1.00 11.41 C ATOM 781 CH2 TRP A 409 -22.020 -10.088 -4.969 1.00 73.41 C ATOM 0 H TRP A 409 -15.257 -9.090 -6.718 1.00 0.55 H new ATOM 0 HA TRP A 409 -16.918 -8.389 -8.995 1.00 11.35 H new ATOM 0 HB2 TRP A 409 -18.147 -10.280 -8.488 1.00 63.25 H new ATOM 0 HB3 TRP A 409 -16.600 -10.728 -7.798 1.00 63.25 H new ATOM 0 HD1 TRP A 409 -16.481 -10.896 -5.094 1.00 64.54 H new ATOM 0 HE1 TRP A 409 -18.315 -11.113 -3.279 1.00 5.22 H new ATOM 0 HE3 TRP A 409 -20.445 -9.519 -7.924 1.00 41.01 H new ATOM 0 HZ2 TRP A 409 -21.112 -10.722 -3.139 1.00 22.31 H new ATOM 0 HZ3 TRP A 409 -22.684 -9.452 -6.910 1.00 11.41 H new ATOM 0 HH2 TRP A 409 -23.014 -10.054 -4.547 1.00 73.41 H new ATOM 792 N ASN A 410 -17.471 -7.230 -6.024 1.00 43.13 N ATOM 793 CA ASN A 410 -18.326 -6.424 -5.180 1.00 54.24 C ATOM 794 C ASN A 410 -18.077 -4.934 -5.429 1.00 44.14 C ATOM 795 O ASN A 410 -18.808 -4.067 -4.943 1.00 21.43 O ATOM 796 CB ASN A 410 -18.036 -6.777 -3.731 1.00 42.22 C ATOM 797 CG ASN A 410 -19.122 -6.364 -2.786 1.00 51.24 C ATOM 798 OD1 ASN A 410 -19.147 -5.249 -2.279 1.00 63.01 O ATOM 799 ND2 ASN A 410 -20.010 -7.278 -2.515 1.00 74.43 N ATOM 0 H ASN A 410 -16.578 -7.483 -5.600 1.00 43.13 H new ATOM 0 HA ASN A 410 -19.372 -6.627 -5.410 1.00 54.24 H new ATOM 0 HB2 ASN A 410 -17.886 -7.854 -3.651 1.00 42.22 H new ATOM 0 HB3 ASN A 410 -17.103 -6.302 -3.429 1.00 42.22 H new ATOM 0 HD21 ASN A 410 -20.764 -7.078 -1.858 1.00 74.43 H new ATOM 0 HD22 ASN A 410 -19.951 -8.194 -2.960 1.00 74.43 H new ATOM 805 N GLY A 411 -17.061 -4.655 -6.191 1.00 1.10 N ATOM 806 CA GLY A 411 -16.698 -3.308 -6.524 1.00 73.20 C ATOM 807 C GLY A 411 -16.162 -3.274 -7.924 1.00 55.31 C ATOM 808 O GLY A 411 -16.308 -4.253 -8.640 1.00 23.00 O ATOM 0 H GLY A 411 -16.454 -5.363 -6.604 1.00 1.10 H new ATOM 0 HA2 GLY A 411 -17.565 -2.653 -6.438 1.00 73.20 H new ATOM 0 HA3 GLY A 411 -15.948 -2.937 -5.825 1.00 73.20 H new ATOM 812 N PRO A 412 -15.557 -2.187 -8.375 1.00 32.34 N ATOM 813 CA PRO A 412 -15.014 -2.143 -9.718 1.00 13.23 C ATOM 814 C PRO A 412 -13.580 -2.708 -9.802 1.00 63.24 C ATOM 815 O PRO A 412 -13.256 -3.457 -10.711 1.00 11.34 O ATOM 816 CB PRO A 412 -15.021 -0.648 -10.035 1.00 32.32 C ATOM 817 CG PRO A 412 -14.901 0.046 -8.705 1.00 71.32 C ATOM 818 CD PRO A 412 -15.400 -0.914 -7.648 1.00 54.04 C ATOM 0 HA PRO A 412 -15.590 -2.752 -10.414 1.00 13.23 H new ATOM 0 HB2 PRO A 412 -14.193 -0.382 -10.692 1.00 32.32 H new ATOM 0 HB3 PRO A 412 -15.939 -0.360 -10.547 1.00 32.32 H new ATOM 0 HG2 PRO A 412 -13.866 0.327 -8.511 1.00 71.32 H new ATOM 0 HG3 PRO A 412 -15.488 0.965 -8.697 1.00 71.32 H new ATOM 0 HD2 PRO A 412 -14.691 -1.008 -6.826 1.00 54.04 H new ATOM 0 HD3 PRO A 412 -16.344 -0.580 -7.218 1.00 54.04 H new ATOM 826 N HIS A 413 -12.754 -2.388 -8.819 1.00 41.13 N ATOM 827 CA HIS A 413 -11.349 -2.802 -8.762 1.00 2.41 C ATOM 828 C HIS A 413 -10.879 -2.606 -7.344 1.00 42.14 C ATOM 829 O HIS A 413 -11.450 -1.769 -6.630 1.00 21.53 O ATOM 830 CB HIS A 413 -10.429 -1.924 -9.673 1.00 31.52 C ATOM 831 CG HIS A 413 -10.709 -1.952 -11.149 1.00 55.41 C ATOM 832 ND1 HIS A 413 -10.230 -2.918 -11.990 1.00 52.14 N ATOM 833 CD2 HIS A 413 -11.438 -1.115 -11.925 1.00 0.40 C ATOM 834 CE1 HIS A 413 -10.649 -2.682 -13.204 1.00 61.41 C ATOM 835 NE2 HIS A 413 -11.384 -1.594 -13.197 1.00 4.32 N ATOM 0 H HIS A 413 -13.041 -1.823 -8.020 1.00 41.13 H new ATOM 0 HA HIS A 413 -11.287 -3.836 -9.102 1.00 2.41 H new ATOM 0 HB2 HIS A 413 -10.502 -0.891 -9.333 1.00 31.52 H new ATOM 0 HB3 HIS A 413 -9.397 -2.239 -9.517 1.00 31.52 H new ATOM 0 HD1 HIS A 413 -9.638 -3.701 -11.712 1.00 52.14 H new ATOM 0 HD2 HIS A 413 -11.964 -0.231 -11.595 1.00 0.40 H new ATOM 0 HE1 HIS A 413 -10.427 -3.284 -14.073 1.00 61.41 H new ATOM 844 N ARG A 414 -9.874 -3.355 -6.923 1.00 64.25 N ATOM 845 CA ARG A 414 -9.287 -3.140 -5.616 1.00 3.24 C ATOM 846 C ARG A 414 -8.530 -1.827 -5.550 1.00 30.20 C ATOM 847 O ARG A 414 -8.134 -1.255 -6.585 1.00 33.10 O ATOM 848 CB ARG A 414 -8.396 -4.301 -5.148 1.00 41.12 C ATOM 849 CG ARG A 414 -9.141 -5.539 -4.687 1.00 33.21 C ATOM 850 CD ARG A 414 -8.171 -6.639 -4.278 1.00 31.04 C ATOM 851 NE ARG A 414 -8.859 -7.857 -3.824 1.00 24.24 N ATOM 852 CZ ARG A 414 -8.319 -8.804 -3.033 1.00 63.13 C ATOM 853 NH1 ARG A 414 -7.082 -8.661 -2.548 1.00 24.51 N ATOM 854 NH2 ARG A 414 -9.025 -9.879 -2.713 1.00 2.13 N ATOM 0 H ARG A 414 -9.452 -4.110 -7.463 1.00 64.25 H new ATOM 0 HA ARG A 414 -10.128 -3.092 -4.924 1.00 3.24 H new ATOM 0 HB2 ARG A 414 -7.730 -4.580 -5.965 1.00 41.12 H new ATOM 0 HB3 ARG A 414 -7.767 -3.949 -4.330 1.00 41.12 H new ATOM 0 HG2 ARG A 414 -9.786 -5.287 -3.846 1.00 33.21 H new ATOM 0 HG3 ARG A 414 -9.787 -5.898 -5.488 1.00 33.21 H new ATOM 0 HD2 ARG A 414 -7.527 -6.883 -5.123 1.00 31.04 H new ATOM 0 HD3 ARG A 414 -7.525 -6.272 -3.480 1.00 31.04 H new ATOM 0 HE ARG A 414 -9.821 -7.996 -4.133 1.00 24.24 H new ATOM 0 HH11 ARG A 414 -6.538 -7.829 -2.776 1.00 24.51 H new ATOM 0 HH12 ARG A 414 -6.682 -9.384 -1.950 1.00 24.51 H new ATOM 0 HH21 ARG A 414 -9.976 -9.988 -3.066 1.00 2.13 H new ATOM 0 HH22 ARG A 414 -8.617 -10.597 -2.114 1.00 2.13 H new ATOM 866 N SER A 415 -8.348 -1.364 -4.351 1.00 25.00 N ATOM 867 CA SER A 415 -7.668 -0.151 -4.069 1.00 45.41 C ATOM 868 C SER A 415 -7.242 -0.145 -2.603 1.00 63.42 C ATOM 869 O SER A 415 -7.745 -0.953 -1.808 1.00 52.32 O ATOM 870 CB SER A 415 -8.579 1.038 -4.396 1.00 31.11 C ATOM 871 OG SER A 415 -9.832 0.938 -3.722 1.00 74.20 O ATOM 0 H SER A 415 -8.684 -1.844 -3.516 1.00 25.00 H new ATOM 0 HA SER A 415 -6.774 -0.066 -4.686 1.00 45.41 H new ATOM 0 HB2 SER A 415 -8.084 1.966 -4.110 1.00 31.11 H new ATOM 0 HB3 SER A 415 -8.746 1.084 -5.472 1.00 31.11 H new ATOM 0 HG SER A 415 -10.389 1.712 -3.950 1.00 74.20 H new ATOM 877 N ALA A 416 -6.342 0.739 -2.244 1.00 42.03 N ATOM 878 CA ALA A 416 -5.848 0.816 -0.898 1.00 54.20 C ATOM 879 C ALA A 416 -5.263 2.170 -0.637 1.00 4.23 C ATOM 880 O ALA A 416 -4.788 2.847 -1.553 1.00 21.51 O ATOM 881 CB ALA A 416 -4.803 -0.259 -0.633 1.00 11.22 C ATOM 0 H ALA A 416 -5.934 1.424 -2.880 1.00 42.03 H new ATOM 0 HA ALA A 416 -6.688 0.651 -0.223 1.00 54.20 H new ATOM 0 HB1 ALA A 416 -4.448 -0.176 0.394 1.00 11.22 H new ATOM 0 HB2 ALA A 416 -5.247 -1.243 -0.785 1.00 11.22 H new ATOM 0 HB3 ALA A 416 -3.966 -0.129 -1.318 1.00 11.22 H new ATOM 887 N ILE A 417 -5.323 2.571 0.577 1.00 32.33 N ATOM 888 CA ILE A 417 -4.737 3.805 1.000 1.00 51.03 C ATOM 889 C ILE A 417 -3.658 3.521 2.047 1.00 55.33 C ATOM 890 O ILE A 417 -3.907 2.850 3.054 1.00 31.45 O ATOM 891 CB ILE A 417 -5.802 4.828 1.526 1.00 34.23 C ATOM 892 CG1 ILE A 417 -5.123 6.142 1.961 1.00 64.41 C ATOM 893 CG2 ILE A 417 -6.656 4.235 2.650 1.00 42.31 C ATOM 894 CD1 ILE A 417 -6.085 7.210 2.451 1.00 61.05 C ATOM 0 H ILE A 417 -5.785 2.051 1.323 1.00 32.33 H new ATOM 0 HA ILE A 417 -4.277 4.279 0.133 1.00 51.03 H new ATOM 0 HB ILE A 417 -6.481 5.055 0.704 1.00 34.23 H new ATOM 0 HG12 ILE A 417 -4.408 5.923 2.754 1.00 64.41 H new ATOM 0 HG13 ILE A 417 -4.555 6.540 1.120 1.00 64.41 H new ATOM 0 HG21 ILE A 417 -7.381 4.976 2.986 1.00 42.31 H new ATOM 0 HG22 ILE A 417 -7.182 3.354 2.281 1.00 42.31 H new ATOM 0 HG23 ILE A 417 -6.014 3.952 3.484 1.00 42.31 H new ATOM 0 HD11 ILE A 417 -5.525 8.100 2.737 1.00 61.05 H new ATOM 0 HD12 ILE A 417 -6.785 7.462 1.655 1.00 61.05 H new ATOM 0 HD13 ILE A 417 -6.636 6.835 3.314 1.00 61.05 H new ATOM 901 N VAL A 418 -2.477 3.990 1.781 1.00 62.23 N ATOM 902 CA VAL A 418 -1.346 3.792 2.643 1.00 75.31 C ATOM 903 C VAL A 418 -0.900 5.077 3.299 1.00 12.13 C ATOM 904 O VAL A 418 -0.719 6.107 2.644 1.00 1.14 O ATOM 905 CB VAL A 418 -0.154 3.122 1.890 1.00 11.14 C ATOM 906 CG1 VAL A 418 1.155 3.374 2.582 1.00 72.10 C ATOM 907 CG2 VAL A 418 -0.354 1.638 1.833 1.00 23.32 C ATOM 0 H VAL A 418 -2.266 4.532 0.943 1.00 62.23 H new ATOM 0 HA VAL A 418 -1.675 3.113 3.430 1.00 75.31 H new ATOM 0 HB VAL A 418 -0.126 3.556 0.891 1.00 11.14 H new ATOM 0 HG11 VAL A 418 1.959 2.891 2.027 1.00 72.10 H new ATOM 0 HG12 VAL A 418 1.341 4.447 2.630 1.00 72.10 H new ATOM 0 HG13 VAL A 418 1.117 2.967 3.592 1.00 72.10 H new ATOM 0 HG21 VAL A 418 0.482 1.178 1.306 1.00 23.32 H new ATOM 0 HG22 VAL A 418 -0.408 1.239 2.846 1.00 23.32 H new ATOM 0 HG23 VAL A 418 -1.282 1.416 1.306 1.00 23.32 H new ATOM 913 N THR A 419 -0.749 5.013 4.581 1.00 51.35 N ATOM 914 CA THR A 419 -0.215 6.083 5.332 1.00 25.43 C ATOM 915 C THR A 419 1.149 5.683 5.866 1.00 73.45 C ATOM 916 O THR A 419 1.269 4.742 6.664 1.00 11.33 O ATOM 917 CB THR A 419 -1.168 6.489 6.468 1.00 35.50 C ATOM 918 OG1 THR A 419 -1.647 5.316 7.162 1.00 4.12 O ATOM 919 CG2 THR A 419 -2.341 7.288 5.930 1.00 64.22 C ATOM 0 H THR A 419 -1.000 4.197 5.139 1.00 51.35 H new ATOM 0 HA THR A 419 -0.100 6.955 4.688 1.00 25.43 H new ATOM 0 HB THR A 419 -0.615 7.116 7.167 1.00 35.50 H new ATOM 0 HG1 THR A 419 -0.911 4.678 7.272 1.00 4.12 H new ATOM 0 HG21 THR A 419 -3.001 7.564 6.752 1.00 64.22 H new ATOM 0 HG22 THR A 419 -1.973 8.190 5.442 1.00 64.22 H new ATOM 0 HG23 THR A 419 -2.892 6.684 5.209 1.00 64.22 H new ATOM 925 N VAL A 420 2.172 6.367 5.410 1.00 11.10 N ATOM 926 CA VAL A 420 3.526 6.039 5.794 1.00 61.11 C ATOM 927 C VAL A 420 3.979 7.002 6.868 1.00 3.33 C ATOM 928 O VAL A 420 4.156 8.177 6.615 1.00 1.24 O ATOM 929 CB VAL A 420 4.498 6.158 4.586 1.00 34.10 C ATOM 930 CG1 VAL A 420 5.896 5.742 4.980 1.00 44.03 C ATOM 931 CG2 VAL A 420 4.018 5.346 3.399 1.00 44.34 C ATOM 0 H VAL A 420 2.092 7.157 4.770 1.00 11.10 H new ATOM 0 HA VAL A 420 3.539 5.011 6.157 1.00 61.11 H new ATOM 0 HB VAL A 420 4.517 7.206 4.285 1.00 34.10 H new ATOM 0 HG11 VAL A 420 6.559 5.833 4.120 1.00 44.03 H new ATOM 0 HG12 VAL A 420 6.254 6.385 5.784 1.00 44.03 H new ATOM 0 HG13 VAL A 420 5.885 4.707 5.321 1.00 44.03 H new ATOM 0 HG21 VAL A 420 4.723 5.454 2.575 1.00 44.34 H new ATOM 0 HG22 VAL A 420 3.948 4.295 3.681 1.00 44.34 H new ATOM 0 HG23 VAL A 420 3.037 5.704 3.086 1.00 44.34 H new ATOM 937 N GLU A 421 4.161 6.509 8.054 1.00 12.13 N ATOM 938 CA GLU A 421 4.545 7.359 9.152 1.00 4.11 C ATOM 939 C GLU A 421 5.946 7.027 9.636 1.00 52.00 C ATOM 940 O GLU A 421 6.646 6.210 9.025 1.00 5.32 O ATOM 941 CB GLU A 421 3.517 7.274 10.282 1.00 63.32 C ATOM 942 CG GLU A 421 2.110 7.651 9.827 1.00 31.34 C ATOM 943 CD GLU A 421 1.090 7.648 10.937 1.00 30.22 C ATOM 944 OE1 GLU A 421 1.119 8.565 11.786 1.00 0.24 O ATOM 945 OE2 GLU A 421 0.214 6.759 10.952 1.00 5.30 O ATOM 0 H GLU A 421 4.051 5.523 8.292 1.00 12.13 H new ATOM 0 HA GLU A 421 4.564 8.390 8.800 1.00 4.11 H new ATOM 0 HB2 GLU A 421 3.506 6.260 10.682 1.00 63.32 H new ATOM 0 HB3 GLU A 421 3.821 7.934 11.095 1.00 63.32 H new ATOM 0 HG2 GLU A 421 2.138 8.642 9.375 1.00 31.34 H new ATOM 0 HG3 GLU A 421 1.791 6.955 9.051 1.00 31.34 H new ATOM 952 N CYS A 422 6.352 7.659 10.705 1.00 55.40 N ATOM 953 CA CYS A 422 7.680 7.494 11.262 1.00 23.12 C ATOM 954 C CYS A 422 7.981 6.049 11.654 1.00 73.31 C ATOM 955 O CYS A 422 7.242 5.420 12.418 1.00 64.54 O ATOM 956 CB CYS A 422 7.834 8.417 12.481 1.00 21.43 C ATOM 957 SG CYS A 422 9.365 8.165 13.471 1.00 40.52 S ATOM 0 H CYS A 422 5.766 8.313 11.225 1.00 55.40 H new ATOM 0 HA CYS A 422 8.399 7.763 10.488 1.00 23.12 H new ATOM 0 HB2 CYS A 422 7.809 9.451 12.138 1.00 21.43 H new ATOM 0 HB3 CYS A 422 6.972 8.277 13.133 1.00 21.43 H new ATOM 962 N GLY A 423 9.084 5.552 11.156 1.00 15.33 N ATOM 963 CA GLY A 423 9.518 4.222 11.474 1.00 21.41 C ATOM 964 C GLY A 423 10.998 4.119 11.328 1.00 74.15 C ATOM 965 O GLY A 423 11.654 5.116 11.029 1.00 22.55 O ATOM 0 H GLY A 423 9.702 6.058 10.522 1.00 15.33 H new ATOM 0 HA2 GLY A 423 9.227 3.970 12.494 1.00 21.41 H new ATOM 0 HA3 GLY A 423 9.029 3.504 10.816 1.00 21.41 H new ATOM 969 N VAL A 424 11.531 2.952 11.538 1.00 30.40 N ATOM 970 CA VAL A 424 12.964 2.737 11.409 1.00 4.01 C ATOM 971 C VAL A 424 13.264 2.198 10.008 1.00 43.11 C ATOM 972 O VAL A 424 14.327 2.436 9.440 1.00 44.15 O ATOM 973 CB VAL A 424 13.481 1.732 12.482 1.00 13.54 C ATOM 974 CG1 VAL A 424 14.995 1.551 12.395 1.00 41.14 C ATOM 975 CG2 VAL A 424 13.079 2.182 13.879 1.00 64.41 C ATOM 0 H VAL A 424 11.001 2.121 11.802 1.00 30.40 H new ATOM 0 HA VAL A 424 13.476 3.687 11.563 1.00 4.01 H new ATOM 0 HB VAL A 424 13.017 0.767 12.279 1.00 13.54 H new ATOM 0 HG11 VAL A 424 15.321 0.844 13.158 1.00 41.14 H new ATOM 0 HG12 VAL A 424 15.260 1.169 11.409 1.00 41.14 H new ATOM 0 HG13 VAL A 424 15.486 2.511 12.556 1.00 41.14 H new ATOM 0 HG21 VAL A 424 13.450 1.466 14.613 1.00 64.41 H new ATOM 0 HG22 VAL A 424 13.506 3.164 14.082 1.00 64.41 H new ATOM 0 HG23 VAL A 424 11.992 2.238 13.944 1.00 64.41 H new ATOM 981 N GLU A 425 12.294 1.515 9.455 1.00 52.12 N ATOM 982 CA GLU A 425 12.411 0.890 8.163 1.00 14.44 C ATOM 983 C GLU A 425 11.080 0.953 7.473 1.00 73.44 C ATOM 984 O GLU A 425 10.033 0.993 8.137 1.00 24.30 O ATOM 985 CB GLU A 425 12.820 -0.581 8.337 1.00 22.41 C ATOM 986 CG GLU A 425 12.975 -1.339 7.031 1.00 1.14 C ATOM 987 CD GLU A 425 14.115 -0.824 6.186 1.00 43.54 C ATOM 988 OE1 GLU A 425 13.974 0.243 5.568 1.00 52.11 O ATOM 989 OE2 GLU A 425 15.170 -1.484 6.136 1.00 21.14 O ATOM 0 H GLU A 425 11.386 1.376 9.898 1.00 52.12 H new ATOM 0 HA GLU A 425 13.166 1.407 7.571 1.00 14.44 H new ATOM 0 HB2 GLU A 425 13.762 -0.623 8.883 1.00 22.41 H new ATOM 0 HB3 GLU A 425 12.073 -1.085 8.951 1.00 22.41 H new ATOM 0 HG2 GLU A 425 13.137 -2.395 7.246 1.00 1.14 H new ATOM 0 HG3 GLU A 425 12.047 -1.268 6.463 1.00 1.14 H new ATOM 996 N ASN A 426 11.120 0.991 6.165 1.00 31.22 N ATOM 997 CA ASN A 426 9.931 0.955 5.351 1.00 13.24 C ATOM 998 C ASN A 426 9.301 -0.438 5.398 1.00 21.01 C ATOM 999 O ASN A 426 9.760 -1.374 4.745 1.00 3.25 O ATOM 1000 CB ASN A 426 10.205 1.434 3.905 1.00 15.14 C ATOM 1001 CG ASN A 426 11.516 0.930 3.333 1.00 23.04 C ATOM 1002 OD1 ASN A 426 12.531 1.625 3.398 1.00 31.02 O ATOM 1003 ND2 ASN A 426 11.527 -0.272 2.857 1.00 32.12 N ATOM 0 H ASN A 426 11.987 1.048 5.630 1.00 31.22 H new ATOM 0 HA ASN A 426 9.210 1.659 5.765 1.00 13.24 H new ATOM 0 HB2 ASN A 426 9.388 1.105 3.262 1.00 15.14 H new ATOM 0 HB3 ASN A 426 10.206 2.524 3.887 1.00 15.14 H new ATOM 0 HD21 ASN A 426 12.399 -0.678 2.518 1.00 32.12 H new ATOM 0 HD22 ASN A 426 10.664 -0.814 2.821 1.00 32.12 H new ATOM 1009 N GLU A 427 8.293 -0.569 6.231 1.00 43.24 N ATOM 1010 CA GLU A 427 7.621 -1.835 6.462 1.00 20.31 C ATOM 1011 C GLU A 427 6.102 -1.680 6.400 1.00 42.31 C ATOM 1012 O GLU A 427 5.567 -0.603 6.738 1.00 64.03 O ATOM 1013 CB GLU A 427 8.060 -2.401 7.825 1.00 30.22 C ATOM 1014 CG GLU A 427 7.395 -3.708 8.221 1.00 62.22 C ATOM 1015 CD GLU A 427 7.909 -4.246 9.524 1.00 0.42 C ATOM 1016 OE1 GLU A 427 7.355 -3.899 10.593 1.00 2.14 O ATOM 1017 OE2 GLU A 427 8.870 -5.041 9.507 1.00 0.44 O ATOM 0 H GLU A 427 7.911 0.205 6.774 1.00 43.24 H new ATOM 0 HA GLU A 427 7.904 -2.532 5.673 1.00 20.31 H new ATOM 0 HB2 GLU A 427 9.140 -2.550 7.809 1.00 30.22 H new ATOM 0 HB3 GLU A 427 7.852 -1.657 8.594 1.00 30.22 H new ATOM 0 HG2 GLU A 427 6.318 -3.556 8.295 1.00 62.22 H new ATOM 0 HG3 GLU A 427 7.559 -4.447 7.437 1.00 62.22 H new ATOM 1024 N ILE A 428 5.405 -2.738 5.953 1.00 63.21 N ATOM 1025 CA ILE A 428 3.959 -2.748 5.963 1.00 10.01 C ATOM 1026 C ILE A 428 3.555 -3.126 7.364 1.00 63.34 C ATOM 1027 O ILE A 428 3.913 -4.200 7.853 1.00 51.14 O ATOM 1028 CB ILE A 428 3.353 -3.818 5.022 1.00 63.35 C ATOM 1029 CG1 ILE A 428 3.938 -3.742 3.608 1.00 0.34 C ATOM 1030 CG2 ILE A 428 1.835 -3.649 4.972 1.00 61.04 C ATOM 1031 CD1 ILE A 428 3.634 -2.463 2.883 1.00 34.24 C ATOM 0 H ILE A 428 5.831 -3.588 5.584 1.00 63.21 H new ATOM 0 HA ILE A 428 3.604 -1.772 5.634 1.00 10.01 H new ATOM 0 HB ILE A 428 3.607 -4.799 5.423 1.00 63.35 H new ATOM 0 HG12 ILE A 428 5.019 -3.864 3.668 1.00 0.34 H new ATOM 0 HG13 ILE A 428 3.554 -4.578 3.023 1.00 0.34 H new ATOM 0 HG21 ILE A 428 1.407 -4.402 4.310 1.00 61.04 H new ATOM 0 HG22 ILE A 428 1.422 -3.770 5.974 1.00 61.04 H new ATOM 0 HG23 ILE A 428 1.592 -2.655 4.597 1.00 61.04 H new ATOM 0 HD11 ILE A 428 4.084 -2.491 1.891 1.00 34.24 H new ATOM 0 HD12 ILE A 428 2.554 -2.346 2.788 1.00 34.24 H new ATOM 0 HD13 ILE A 428 4.042 -1.622 3.443 1.00 34.24 H new ATOM 1038 N VAL A 429 2.846 -2.280 7.991 1.00 74.14 N ATOM 1039 CA VAL A 429 2.455 -2.482 9.350 1.00 75.14 C ATOM 1040 C VAL A 429 1.181 -3.296 9.463 1.00 44.21 C ATOM 1041 O VAL A 429 1.131 -4.289 10.200 1.00 53.11 O ATOM 1042 CB VAL A 429 2.291 -1.124 10.053 1.00 20.21 C ATOM 1043 CG1 VAL A 429 1.628 -1.264 11.403 1.00 13.41 C ATOM 1044 CG2 VAL A 429 3.638 -0.452 10.188 1.00 24.03 C ATOM 0 H VAL A 429 2.508 -1.409 7.582 1.00 74.14 H new ATOM 0 HA VAL A 429 3.243 -3.053 9.841 1.00 75.14 H new ATOM 0 HB VAL A 429 1.638 -0.504 9.439 1.00 20.21 H new ATOM 0 HG11 VAL A 429 1.532 -0.281 11.865 1.00 13.41 H new ATOM 0 HG12 VAL A 429 0.639 -1.705 11.279 1.00 13.41 H new ATOM 0 HG13 VAL A 429 2.234 -1.907 12.041 1.00 13.41 H new ATOM 0 HG21 VAL A 429 3.517 0.510 10.687 1.00 24.03 H new ATOM 0 HG22 VAL A 429 4.303 -1.084 10.776 1.00 24.03 H new ATOM 0 HG23 VAL A 429 4.068 -0.296 9.198 1.00 24.03 H new ATOM 1050 N SER A 430 0.166 -2.904 8.740 1.00 13.10 N ATOM 1051 CA SER A 430 -1.122 -3.543 8.845 1.00 43.23 C ATOM 1052 C SER A 430 -1.929 -3.249 7.607 1.00 63.21 C ATOM 1053 O SER A 430 -1.625 -2.294 6.887 1.00 32.12 O ATOM 1054 CB SER A 430 -1.883 -3.006 10.081 1.00 22.53 C ATOM 1055 OG SER A 430 -1.141 -3.202 11.278 1.00 61.55 O ATOM 0 H SER A 430 0.206 -2.139 8.066 1.00 13.10 H new ATOM 0 HA SER A 430 -0.976 -4.618 8.950 1.00 43.23 H new ATOM 0 HB2 SER A 430 -2.088 -1.944 9.949 1.00 22.53 H new ATOM 0 HB3 SER A 430 -2.846 -3.509 10.163 1.00 22.53 H new ATOM 0 HG SER A 430 -1.649 -2.851 12.039 1.00 61.55 H new ATOM 1061 N VAL A 431 -2.931 -4.047 7.370 1.00 32.04 N ATOM 1062 CA VAL A 431 -3.832 -3.858 6.280 1.00 31.11 C ATOM 1063 C VAL A 431 -5.224 -4.195 6.739 1.00 13.54 C ATOM 1064 O VAL A 431 -5.552 -5.349 7.050 1.00 4.24 O ATOM 1065 CB VAL A 431 -3.430 -4.651 4.993 1.00 24.22 C ATOM 1066 CG1 VAL A 431 -3.201 -6.109 5.283 1.00 4.13 C ATOM 1067 CG2 VAL A 431 -4.492 -4.497 3.913 1.00 15.20 C ATOM 0 H VAL A 431 -3.145 -4.863 7.944 1.00 32.04 H new ATOM 0 HA VAL A 431 -3.787 -2.811 5.981 1.00 31.11 H new ATOM 0 HB VAL A 431 -2.491 -4.228 4.635 1.00 24.22 H new ATOM 0 HG11 VAL A 431 -2.924 -6.624 4.363 1.00 4.13 H new ATOM 0 HG12 VAL A 431 -2.398 -6.213 6.013 1.00 4.13 H new ATOM 0 HG13 VAL A 431 -4.115 -6.548 5.683 1.00 4.13 H new ATOM 0 HG21 VAL A 431 -4.193 -5.056 3.026 1.00 15.20 H new ATOM 0 HG22 VAL A 431 -5.443 -4.881 4.281 1.00 15.20 H new ATOM 0 HG23 VAL A 431 -4.601 -3.443 3.658 1.00 15.20 H new ATOM 1073 N LEU A 432 -6.026 -3.208 6.817 1.00 4.01 N ATOM 1074 CA LEU A 432 -7.339 -3.377 7.289 1.00 23.10 C ATOM 1075 C LEU A 432 -8.295 -3.177 6.141 1.00 13.04 C ATOM 1076 O LEU A 432 -8.115 -2.271 5.330 1.00 3.30 O ATOM 1077 CB LEU A 432 -7.613 -2.403 8.428 1.00 32.14 C ATOM 1078 CG LEU A 432 -8.904 -2.624 9.199 1.00 73.44 C ATOM 1079 CD1 LEU A 432 -8.891 -4.005 9.836 1.00 70.34 C ATOM 1080 CD2 LEU A 432 -9.069 -1.550 10.259 1.00 64.13 C ATOM 0 H LEU A 432 -5.788 -2.252 6.553 1.00 4.01 H new ATOM 0 HA LEU A 432 -7.475 -4.384 7.684 1.00 23.10 H new ATOM 0 HB2 LEU A 432 -6.781 -2.453 9.130 1.00 32.14 H new ATOM 0 HB3 LEU A 432 -7.625 -1.392 8.020 1.00 32.14 H new ATOM 0 HG LEU A 432 -9.748 -2.562 8.512 1.00 73.44 H new ATOM 0 HD11 LEU A 432 -9.818 -4.160 10.388 1.00 70.34 H new ATOM 0 HD12 LEU A 432 -8.801 -4.764 9.058 1.00 70.34 H new ATOM 0 HD13 LEU A 432 -8.045 -4.083 10.519 1.00 70.34 H new ATOM 0 HD21 LEU A 432 -9.997 -1.718 10.806 1.00 64.13 H new ATOM 0 HD22 LEU A 432 -8.228 -1.590 10.951 1.00 64.13 H new ATOM 0 HD23 LEU A 432 -9.101 -0.570 9.782 1.00 64.13 H new ATOM 1088 N GLU A 433 -9.271 -4.018 6.042 1.00 52.14 N ATOM 1089 CA GLU A 433 -10.220 -3.925 4.978 1.00 24.41 C ATOM 1090 C GLU A 433 -11.243 -2.863 5.337 1.00 4.22 C ATOM 1091 O GLU A 433 -12.033 -3.034 6.261 1.00 35.32 O ATOM 1092 CB GLU A 433 -10.878 -5.286 4.765 1.00 63.32 C ATOM 1093 CG GLU A 433 -11.851 -5.353 3.613 1.00 11.54 C ATOM 1094 CD GLU A 433 -12.434 -6.730 3.467 1.00 40.10 C ATOM 1095 OE1 GLU A 433 -13.419 -7.049 4.163 1.00 45.02 O ATOM 1096 OE2 GLU A 433 -11.908 -7.527 2.673 1.00 23.30 O ATOM 0 H GLU A 433 -9.434 -4.787 6.692 1.00 52.14 H new ATOM 0 HA GLU A 433 -9.732 -3.641 4.046 1.00 24.41 H new ATOM 0 HB2 GLU A 433 -10.097 -6.029 4.604 1.00 63.32 H new ATOM 0 HB3 GLU A 433 -11.401 -5.566 5.679 1.00 63.32 H new ATOM 0 HG2 GLU A 433 -12.653 -4.632 3.770 1.00 11.54 H new ATOM 0 HG3 GLU A 433 -11.344 -5.071 2.690 1.00 11.54 H new ATOM 1103 N ALA A 434 -11.186 -1.752 4.615 1.00 23.30 N ATOM 1104 CA ALA A 434 -12.030 -0.600 4.877 1.00 31.14 C ATOM 1105 C ALA A 434 -13.455 -0.876 4.491 1.00 70.52 C ATOM 1106 O ALA A 434 -14.389 -0.419 5.140 1.00 22.42 O ATOM 1107 CB ALA A 434 -11.511 0.616 4.118 1.00 13.13 C ATOM 0 H ALA A 434 -10.549 -1.627 3.828 1.00 23.30 H new ATOM 0 HA ALA A 434 -11.999 -0.395 5.947 1.00 31.14 H new ATOM 0 HB1 ALA A 434 -12.152 1.473 4.322 1.00 13.13 H new ATOM 0 HB2 ALA A 434 -10.494 0.839 4.440 1.00 13.13 H new ATOM 0 HB3 ALA A 434 -11.516 0.406 3.048 1.00 13.13 H new ATOM 1113 N GLN A 435 -13.618 -1.607 3.417 1.00 24.03 N ATOM 1114 CA GLN A 435 -14.925 -1.953 2.917 1.00 64.51 C ATOM 1115 C GLN A 435 -14.900 -3.381 2.388 1.00 3.13 C ATOM 1116 O GLN A 435 -15.435 -4.292 3.013 1.00 21.41 O ATOM 1117 CB GLN A 435 -15.366 -0.963 1.825 1.00 50.00 C ATOM 1118 CG GLN A 435 -15.529 0.476 2.298 1.00 52.43 C ATOM 1119 CD GLN A 435 -15.864 1.430 1.182 1.00 40.11 C ATOM 1120 OE1 GLN A 435 -17.025 1.650 0.865 1.00 23.31 O ATOM 1121 NE2 GLN A 435 -14.863 2.026 0.603 1.00 24.12 N ATOM 0 H GLN A 435 -12.847 -1.980 2.864 1.00 24.03 H new ATOM 0 HA GLN A 435 -15.651 -1.891 3.727 1.00 64.51 H new ATOM 0 HB2 GLN A 435 -14.635 -0.985 1.017 1.00 50.00 H new ATOM 0 HB3 GLN A 435 -16.313 -1.303 1.407 1.00 50.00 H new ATOM 0 HG2 GLN A 435 -16.315 0.518 3.052 1.00 52.43 H new ATOM 0 HG3 GLN A 435 -14.607 0.800 2.781 1.00 52.43 H new ATOM 0 HE21 GLN A 435 -13.908 1.817 0.894 1.00 24.12 H new ATOM 0 HE22 GLN A 435 -15.033 2.702 -0.142 1.00 24.12 H new ATOM 1129 N LYS A 436 -14.278 -3.564 1.233 1.00 33.13 N ATOM 1130 CA LYS A 436 -14.082 -4.888 0.643 1.00 42.03 C ATOM 1131 C LYS A 436 -13.020 -4.846 -0.441 1.00 20.15 C ATOM 1132 O LYS A 436 -12.105 -5.642 -0.453 1.00 70.22 O ATOM 1133 CB LYS A 436 -15.397 -5.543 0.115 1.00 11.51 C ATOM 1134 CG LYS A 436 -16.179 -4.762 -0.965 1.00 63.11 C ATOM 1135 CD LYS A 436 -16.919 -3.523 -0.429 1.00 74.53 C ATOM 1136 CE LYS A 436 -18.214 -3.861 0.351 1.00 4.33 C ATOM 1137 NZ LYS A 436 -18.015 -4.723 1.546 1.00 42.14 N ATOM 0 H LYS A 436 -13.893 -2.802 0.675 1.00 33.13 H new ATOM 0 HA LYS A 436 -13.736 -5.529 1.454 1.00 42.03 H new ATOM 0 HB2 LYS A 436 -15.149 -6.525 -0.288 1.00 11.51 H new ATOM 0 HB3 LYS A 436 -16.061 -5.705 0.964 1.00 11.51 H new ATOM 0 HG2 LYS A 436 -15.486 -4.449 -1.746 1.00 63.11 H new ATOM 0 HG3 LYS A 436 -16.902 -5.431 -1.431 1.00 63.11 H new ATOM 0 HD2 LYS A 436 -16.248 -2.964 0.223 1.00 74.53 H new ATOM 0 HD3 LYS A 436 -17.169 -2.870 -1.265 1.00 74.53 H new ATOM 0 HE2 LYS A 436 -18.685 -2.930 0.666 1.00 4.33 H new ATOM 0 HE3 LYS A 436 -18.910 -4.357 -0.326 1.00 4.33 H new ATOM 0 HZ1 LYS A 436 -18.788 -4.563 2.222 1.00 42.14 H new ATOM 0 HZ2 LYS A 436 -18.010 -5.722 1.257 1.00 42.14 H new ATOM 0 HZ3 LYS A 436 -17.107 -4.488 1.996 1.00 42.14 H new ATOM 1151 N CYS A 437 -13.146 -3.905 -1.327 1.00 52.24 N ATOM 1152 CA CYS A 437 -12.201 -3.735 -2.417 1.00 54.11 C ATOM 1153 C CYS A 437 -11.197 -2.661 -2.071 1.00 71.03 C ATOM 1154 O CYS A 437 -10.262 -2.415 -2.793 1.00 31.12 O ATOM 1155 CB CYS A 437 -12.947 -3.342 -3.688 1.00 52.14 C ATOM 1156 SG CYS A 437 -14.158 -4.578 -4.268 1.00 10.54 S ATOM 0 H CYS A 437 -13.906 -3.225 -1.325 1.00 52.24 H new ATOM 0 HA CYS A 437 -11.676 -4.676 -2.579 1.00 54.11 H new ATOM 0 HB2 CYS A 437 -13.465 -2.399 -3.513 1.00 52.14 H new ATOM 0 HB3 CYS A 437 -12.220 -3.164 -4.481 1.00 52.14 H new ATOM 1161 N GLU A 438 -11.399 -2.055 -0.950 1.00 44.41 N ATOM 1162 CA GLU A 438 -10.590 -0.968 -0.498 1.00 21.51 C ATOM 1163 C GLU A 438 -10.044 -1.288 0.870 1.00 11.25 C ATOM 1164 O GLU A 438 -10.791 -1.732 1.764 1.00 45.53 O ATOM 1165 CB GLU A 438 -11.409 0.312 -0.482 1.00 4.34 C ATOM 1166 CG GLU A 438 -10.694 1.515 0.094 1.00 40.34 C ATOM 1167 CD GLU A 438 -11.560 2.737 0.116 1.00 41.54 C ATOM 1168 OE1 GLU A 438 -11.618 3.465 -0.895 1.00 50.13 O ATOM 1169 OE2 GLU A 438 -12.210 2.993 1.154 1.00 71.00 O ATOM 0 H GLU A 438 -12.149 -2.306 -0.305 1.00 44.41 H new ATOM 0 HA GLU A 438 -9.751 -0.820 -1.178 1.00 21.51 H new ATOM 0 HB2 GLU A 438 -11.716 0.543 -1.502 1.00 4.34 H new ATOM 0 HB3 GLU A 438 -12.319 0.138 0.093 1.00 4.34 H new ATOM 0 HG2 GLU A 438 -10.365 1.288 1.108 1.00 40.34 H new ATOM 0 HG3 GLU A 438 -9.799 1.718 -0.494 1.00 40.34 H new ATOM 1176 N TYR A 439 -8.762 -1.096 1.025 1.00 15.14 N ATOM 1177 CA TYR A 439 -8.072 -1.418 2.249 1.00 11.54 C ATOM 1178 C TYR A 439 -7.286 -0.212 2.746 1.00 50.41 C ATOM 1179 O TYR A 439 -6.871 0.631 1.954 1.00 1.05 O ATOM 1180 CB TYR A 439 -7.091 -2.572 1.977 1.00 41.50 C ATOM 1181 CG TYR A 439 -7.730 -3.749 1.282 1.00 60.22 C ATOM 1182 CD1 TYR A 439 -7.761 -3.818 -0.107 1.00 21.00 C ATOM 1183 CD2 TYR A 439 -8.318 -4.774 1.997 1.00 20.52 C ATOM 1184 CE1 TYR A 439 -8.352 -4.863 -0.751 1.00 14.52 C ATOM 1185 CE2 TYR A 439 -8.918 -5.832 1.352 1.00 53.01 C ATOM 1186 CZ TYR A 439 -8.934 -5.869 -0.022 1.00 54.31 C ATOM 1187 OH TYR A 439 -9.525 -6.926 -0.672 1.00 33.33 O ATOM 0 H TYR A 439 -8.159 -0.708 0.299 1.00 15.14 H new ATOM 0 HA TYR A 439 -8.802 -1.705 3.006 1.00 11.54 H new ATOM 0 HB2 TYR A 439 -6.267 -2.203 1.367 1.00 41.50 H new ATOM 0 HB3 TYR A 439 -6.663 -2.906 2.922 1.00 41.50 H new ATOM 0 HD1 TYR A 439 -7.308 -3.027 -0.686 1.00 21.00 H new ATOM 0 HD2 TYR A 439 -8.307 -4.745 3.077 1.00 20.52 H new ATOM 0 HE1 TYR A 439 -8.362 -4.899 -1.830 1.00 14.52 H new ATOM 0 HE2 TYR A 439 -9.373 -6.628 1.922 1.00 53.01 H new ATOM 0 HH TYR A 439 -10.488 -6.763 -0.753 1.00 33.33 H new ATOM 1197 N LEU A 440 -7.113 -0.114 4.037 1.00 52.44 N ATOM 1198 CA LEU A 440 -6.260 0.892 4.610 1.00 53.13 C ATOM 1199 C LEU A 440 -5.038 0.206 5.165 1.00 74.32 C ATOM 1200 O LEU A 440 -5.136 -0.695 6.006 1.00 63.44 O ATOM 1201 CB LEU A 440 -6.938 1.807 5.680 1.00 64.31 C ATOM 1202 CG LEU A 440 -7.545 1.160 6.946 1.00 61.31 C ATOM 1203 CD1 LEU A 440 -7.803 2.229 7.986 1.00 75.23 C ATOM 1204 CD2 LEU A 440 -8.863 0.484 6.633 1.00 45.02 C ATOM 0 H LEU A 440 -7.558 -0.728 4.719 1.00 52.44 H new ATOM 0 HA LEU A 440 -5.996 1.586 3.812 1.00 53.13 H new ATOM 0 HB2 LEU A 440 -6.196 2.536 6.007 1.00 64.31 H new ATOM 0 HB3 LEU A 440 -7.732 2.362 5.182 1.00 64.31 H new ATOM 0 HG LEU A 440 -6.837 0.419 7.316 1.00 61.31 H new ATOM 0 HD11 LEU A 440 -8.231 1.773 8.879 1.00 75.23 H new ATOM 0 HD12 LEU A 440 -6.865 2.720 8.244 1.00 75.23 H new ATOM 0 HD13 LEU A 440 -8.500 2.966 7.586 1.00 75.23 H new ATOM 0 HD21 LEU A 440 -9.268 0.037 7.541 1.00 45.02 H new ATOM 0 HD22 LEU A 440 -9.567 1.221 6.246 1.00 45.02 H new ATOM 0 HD23 LEU A 440 -8.705 -0.294 5.886 1.00 45.02 H new ATOM 1212 N ILE A 441 -3.915 0.594 4.673 1.00 12.34 N ATOM 1213 CA ILE A 441 -2.664 -0.024 5.014 1.00 41.33 C ATOM 1214 C ILE A 441 -1.764 0.969 5.746 1.00 24.23 C ATOM 1215 O ILE A 441 -1.621 2.126 5.332 1.00 14.03 O ATOM 1216 CB ILE A 441 -1.976 -0.553 3.723 1.00 1.13 C ATOM 1217 CG1 ILE A 441 -2.826 -1.665 3.088 1.00 53.32 C ATOM 1218 CG2 ILE A 441 -0.557 -1.046 3.996 1.00 33.12 C ATOM 1219 CD1 ILE A 441 -2.380 -2.109 1.709 1.00 32.24 C ATOM 0 H ILE A 441 -3.829 1.363 4.009 1.00 12.34 H new ATOM 0 HA ILE A 441 -2.847 -0.866 5.682 1.00 41.33 H new ATOM 0 HB ILE A 441 -1.898 0.278 3.022 1.00 1.13 H new ATOM 0 HG12 ILE A 441 -2.818 -2.530 3.751 1.00 53.32 H new ATOM 0 HG13 ILE A 441 -3.858 -1.321 3.025 1.00 53.32 H new ATOM 0 HG21 ILE A 441 -0.112 -1.407 3.069 1.00 33.12 H new ATOM 0 HG22 ILE A 441 0.043 -0.226 4.391 1.00 33.12 H new ATOM 0 HG23 ILE A 441 -0.587 -1.857 4.723 1.00 33.12 H new ATOM 0 HD11 ILE A 441 -3.043 -2.896 1.348 1.00 32.24 H new ATOM 0 HD12 ILE A 441 -2.416 -1.261 1.025 1.00 32.24 H new ATOM 0 HD13 ILE A 441 -1.360 -2.490 1.762 1.00 32.24 H new ATOM 1226 N LYS A 442 -1.185 0.530 6.839 1.00 24.31 N ATOM 1227 CA LYS A 442 -0.313 1.356 7.606 1.00 13.34 C ATOM 1228 C LYS A 442 1.110 1.016 7.241 1.00 55.23 C ATOM 1229 O LYS A 442 1.441 -0.158 7.096 1.00 54.23 O ATOM 1230 CB LYS A 442 -0.551 1.105 9.103 1.00 23.43 C ATOM 1231 CG LYS A 442 0.305 1.961 10.042 1.00 45.22 C ATOM 1232 CD LYS A 442 0.050 3.446 9.843 1.00 53.15 C ATOM 1233 CE LYS A 442 -1.394 3.803 10.127 1.00 5.40 C ATOM 1234 NZ LYS A 442 -1.657 5.231 9.891 1.00 73.35 N ATOM 0 H LYS A 442 -1.312 -0.411 7.213 1.00 24.31 H new ATOM 0 HA LYS A 442 -0.505 2.408 7.395 1.00 13.34 H new ATOM 0 HB2 LYS A 442 -1.602 1.288 9.325 1.00 23.43 H new ATOM 0 HB3 LYS A 442 -0.358 0.054 9.316 1.00 23.43 H new ATOM 0 HG2 LYS A 442 0.091 1.691 11.076 1.00 45.22 H new ATOM 0 HG3 LYS A 442 1.360 1.747 9.868 1.00 45.22 H new ATOM 0 HD2 LYS A 442 0.704 4.020 10.500 1.00 53.15 H new ATOM 0 HD3 LYS A 442 0.301 3.726 8.820 1.00 53.15 H new ATOM 0 HE2 LYS A 442 -2.049 3.203 9.495 1.00 5.40 H new ATOM 0 HE3 LYS A 442 -1.634 3.555 11.161 1.00 5.40 H new ATOM 0 HZ1 LYS A 442 -2.402 5.558 10.539 1.00 73.35 H new ATOM 0 HZ2 LYS A 442 -0.788 5.777 10.059 1.00 73.35 H new ATOM 0 HZ3 LYS A 442 -1.967 5.369 8.908 1.00 73.35 H new ATOM 1248 N MET A 443 1.938 2.013 7.071 1.00 24.22 N ATOM 1249 CA MET A 443 3.333 1.786 6.782 1.00 21.21 C ATOM 1250 C MET A 443 4.167 2.718 7.571 1.00 42.51 C ATOM 1251 O MET A 443 3.686 3.755 8.032 1.00 55.23 O ATOM 1252 CB MET A 443 3.668 1.953 5.293 1.00 11.33 C ATOM 1253 CG MET A 443 3.082 0.904 4.372 1.00 33.25 C ATOM 1254 SD MET A 443 3.613 1.109 2.653 1.00 11.15 S ATOM 1255 CE MET A 443 5.392 0.980 2.820 1.00 31.53 C ATOM 0 H MET A 443 1.670 2.996 7.128 1.00 24.22 H new ATOM 0 HA MET A 443 3.546 0.752 7.054 1.00 21.21 H new ATOM 0 HB2 MET A 443 3.319 2.933 4.968 1.00 11.33 H new ATOM 0 HB3 MET A 443 4.752 1.947 5.179 1.00 11.33 H new ATOM 0 HG2 MET A 443 3.374 -0.086 4.723 1.00 33.25 H new ATOM 0 HG3 MET A 443 1.994 0.951 4.420 1.00 33.25 H new ATOM 0 HE1 MET A 443 5.803 0.464 1.952 1.00 31.53 H new ATOM 0 HE2 MET A 443 5.824 1.978 2.887 1.00 31.53 H new ATOM 0 HE3 MET A 443 5.633 0.419 3.723 1.00 31.53 H new ATOM 1265 N LYS A 444 5.391 2.359 7.765 1.00 54.21 N ATOM 1266 CA LYS A 444 6.319 3.216 8.435 1.00 32.21 C ATOM 1267 C LYS A 444 7.562 3.265 7.614 1.00 20.31 C ATOM 1268 O LYS A 444 7.829 2.349 6.848 1.00 70.44 O ATOM 1269 CB LYS A 444 6.647 2.725 9.852 1.00 70.21 C ATOM 1270 CG LYS A 444 5.445 2.517 10.723 1.00 32.12 C ATOM 1271 CD LYS A 444 4.815 3.832 11.048 1.00 72.53 C ATOM 1272 CE LYS A 444 3.469 3.662 11.692 1.00 64.25 C ATOM 1273 NZ LYS A 444 3.546 2.945 12.988 1.00 74.15 N ATOM 0 H LYS A 444 5.780 1.465 7.465 1.00 54.21 H new ATOM 0 HA LYS A 444 5.874 4.205 8.543 1.00 32.21 H new ATOM 0 HB2 LYS A 444 7.197 1.787 9.781 1.00 70.21 H new ATOM 0 HB3 LYS A 444 7.308 3.447 10.331 1.00 70.21 H new ATOM 0 HG2 LYS A 444 4.725 1.875 10.216 1.00 32.12 H new ATOM 0 HG3 LYS A 444 5.735 2.007 11.641 1.00 32.12 H new ATOM 0 HD2 LYS A 444 5.469 4.393 11.716 1.00 72.53 H new ATOM 0 HD3 LYS A 444 4.710 4.420 10.136 1.00 72.53 H new ATOM 0 HE2 LYS A 444 3.018 4.642 11.849 1.00 64.25 H new ATOM 0 HE3 LYS A 444 2.813 3.114 11.016 1.00 64.25 H new ATOM 0 HZ1 LYS A 444 2.602 2.913 13.424 1.00 74.15 H new ATOM 0 HZ2 LYS A 444 3.887 1.975 12.829 1.00 74.15 H new ATOM 0 HZ3 LYS A 444 4.203 3.443 13.622 1.00 74.15 H new ATOM 1287 N SER A 445 8.274 4.332 7.728 1.00 11.31 N ATOM 1288 CA SER A 445 9.542 4.528 7.025 1.00 65.31 C ATOM 1289 C SER A 445 10.368 5.564 7.788 1.00 32.35 C ATOM 1290 O SER A 445 9.797 6.457 8.430 1.00 53.21 O ATOM 1291 CB SER A 445 9.299 5.000 5.560 1.00 41.11 C ATOM 1292 OG SER A 445 8.589 4.028 4.821 1.00 52.31 O ATOM 0 H SER A 445 8.007 5.120 8.317 1.00 11.31 H new ATOM 0 HA SER A 445 10.081 3.582 6.981 1.00 65.31 H new ATOM 0 HB2 SER A 445 8.741 5.936 5.565 1.00 41.11 H new ATOM 0 HB3 SER A 445 10.255 5.201 5.077 1.00 41.11 H new ATOM 0 HG SER A 445 8.449 4.351 3.906 1.00 52.31 H new ATOM 1298 N PRO A 446 11.709 5.471 7.756 1.00 1.01 N ATOM 1299 CA PRO A 446 12.570 6.410 8.486 1.00 64.15 C ATOM 1300 C PRO A 446 12.499 7.818 7.906 1.00 12.53 C ATOM 1301 O PRO A 446 12.642 8.809 8.620 1.00 54.32 O ATOM 1302 CB PRO A 446 13.974 5.822 8.316 1.00 1.01 C ATOM 1303 CG PRO A 446 13.896 4.991 7.080 1.00 74.13 C ATOM 1304 CD PRO A 446 12.495 4.447 7.033 1.00 4.42 C ATOM 0 HA PRO A 446 12.271 6.515 9.529 1.00 64.15 H new ATOM 0 HB2 PRO A 446 14.722 6.608 8.217 1.00 1.01 H new ATOM 0 HB3 PRO A 446 14.257 5.220 9.179 1.00 1.01 H new ATOM 0 HG2 PRO A 446 14.112 5.588 6.194 1.00 74.13 H new ATOM 0 HG3 PRO A 446 14.627 4.183 7.106 1.00 74.13 H new ATOM 0 HD2 PRO A 446 12.146 4.322 6.008 1.00 4.42 H new ATOM 0 HD3 PRO A 446 12.426 3.472 7.515 1.00 4.42 H new ATOM 1312 N ALA A 447 12.215 7.894 6.623 1.00 60.12 N ATOM 1313 CA ALA A 447 12.123 9.160 5.926 1.00 72.01 C ATOM 1314 C ALA A 447 10.824 9.864 6.249 1.00 43.33 C ATOM 1315 O ALA A 447 10.736 11.078 6.169 1.00 0.44 O ATOM 1316 CB ALA A 447 12.256 8.943 4.440 1.00 5.31 C ATOM 0 H ALA A 447 12.041 7.080 6.033 1.00 60.12 H new ATOM 0 HA ALA A 447 12.940 9.799 6.262 1.00 72.01 H new ATOM 0 HB1 ALA A 447 12.185 9.901 3.925 1.00 5.31 H new ATOM 0 HB2 ALA A 447 13.221 8.485 4.224 1.00 5.31 H new ATOM 0 HB3 ALA A 447 11.457 8.286 4.095 1.00 5.31 H new ATOM 1322 N ALA A 448 9.829 9.105 6.680 1.00 23.14 N ATOM 1323 CA ALA A 448 8.533 9.679 6.992 1.00 35.02 C ATOM 1324 C ALA A 448 8.551 10.221 8.398 1.00 70.42 C ATOM 1325 O ALA A 448 7.559 10.741 8.903 1.00 71.41 O ATOM 1326 CB ALA A 448 7.448 8.638 6.843 1.00 42.54 C ATOM 0 H ALA A 448 9.894 8.097 6.821 1.00 23.14 H new ATOM 0 HA ALA A 448 8.323 10.492 6.297 1.00 35.02 H new ATOM 0 HB1 ALA A 448 6.482 9.083 7.080 1.00 42.54 H new ATOM 0 HB2 ALA A 448 7.436 8.269 5.817 1.00 42.54 H new ATOM 0 HB3 ALA A 448 7.643 7.809 7.524 1.00 42.54 H new ATOM 1332 N CYS A 449 9.683 10.082 9.027 1.00 34.20 N ATOM 1333 CA CYS A 449 9.863 10.538 10.348 1.00 61.50 C ATOM 1334 C CYS A 449 10.676 11.821 10.284 1.00 73.52 C ATOM 1335 O CYS A 449 11.822 11.822 9.802 1.00 41.44 O ATOM 1336 CB CYS A 449 10.645 9.477 11.105 1.00 53.42 C ATOM 1337 SG CYS A 449 10.618 9.653 12.901 1.00 20.10 S ATOM 0 H CYS A 449 10.508 9.642 8.620 1.00 34.20 H new ATOM 0 HA CYS A 449 8.911 10.722 10.846 1.00 61.50 H new ATOM 0 HB2 CYS A 449 10.246 8.497 10.844 1.00 53.42 H new ATOM 0 HB3 CYS A 449 11.681 9.500 10.767 1.00 53.42 H new ATOM 1342 N SER A 450 10.100 12.886 10.746 1.00 23.33 N ATOM 1343 CA SER A 450 10.733 14.180 10.759 1.00 42.22 C ATOM 1344 C SER A 450 10.061 15.020 11.837 1.00 51.40 C ATOM 1345 O SER A 450 10.516 14.975 12.995 1.00 36.46 O ATOM 1346 CB SER A 450 10.627 14.863 9.370 1.00 13.31 C ATOM 1347 OG SER A 450 11.262 14.075 8.350 1.00 25.42 O ATOM 1348 OXT SER A 450 9.033 15.664 11.556 1.00 36.46 O ATOM 0 H SER A 450 9.157 12.887 11.134 1.00 23.33 H new ATOM 0 HA SER A 450 11.795 14.075 10.979 1.00 42.22 H new ATOM 0 HB2 SER A 450 9.578 15.013 9.116 1.00 13.31 H new ATOM 0 HB3 SER A 450 11.090 15.849 9.411 1.00 13.31 H new ATOM 0 HG SER A 450 10.800 14.211 7.497 1.00 25.42 H new TER 1354 SER A 450