USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 419 THR OG1 : rot 30:sc= 1.12 USER MOD Set 1.2: A 442 LYS NZ :NH3+ -171:sc= 2.38 (180deg=1.17) USER MOD Set 2.1: A 407 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 413 HIS : no HE2:sc= -0.404 K(o=-0.4,f=-1) USER MOD Set 3.1: A 374 TYR OH : rot 180:sc= -0.576 USER MOD Set 3.2: A 384 GLN : amide:sc= 0.423 X(o=-0.15,f=-0.57) USER MOD Set 4.1: A 363 MET CE :methyl 180:sc= -1.16 (180deg=-1.16) USER MOD Set 4.2: A 426 ASN : amide:sc= -2.12! C(o=-3.3!,f=-8.2!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 167:sc= -0.0438 (180deg=-0.267) USER MOD Single : A 365 THR OG1 : rot -50:sc= -1.77! USER MOD Single : A 366 LYS NZ :NH3+ -167:sc= 0.263 (180deg=-0.0498) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -92:sc= 1.23 USER MOD Single : A 375 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.16) USER MOD Single : A 379 TYR OH : rot 180:sc= 0.865 USER MOD Single : A 381 ASN :FLIP amide:sc= -0.611 F(o=-2!,f=-0.61) USER MOD Single : A 386 SER OG : rot 78:sc= 1.1 USER MOD Single : A 391 ASN :FLIP amide:sc= -0.173 F(o=-0.77,f=-0.17) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -1.17 K(o=-1.2,f=-7.9!) USER MOD Single : A 398 ASN : amide:sc= 0.736 K(o=0.74,f=-0.049) USER MOD Single : A 401 LYS NZ :NH3+ 179:sc= 0.192 (180deg=0.158) USER MOD Single : A 402 TYR OH : rot -70:sc= -0.906 USER MOD Single : A 404 ASN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 406 GLN : amide:sc= -0.476 K(o=-0.48,f=-2.4!) USER MOD Single : A 410 ASN : amide:sc= -3.83! C(o=-3.8!,f=-8.5!) USER MOD Single : A 415 SER OG : rot -13:sc= 0.109 USER MOD Single : A 430 SER OG : rot 180:sc= -0.569 USER MOD Single : A 435 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 MET CE :methyl 154:sc= -0.757 (180deg=-3.58!) USER MOD Single : A 444 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0429) USER MOD Single : A 445 SER OG : rot 90:sc= -0.0455 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 9.064 13.474 4.620 1.00 72.22 N ATOM 2 CA TYR A 357 7.796 13.373 3.885 1.00 63.44 C ATOM 3 C TYR A 357 7.900 12.349 2.743 1.00 64.14 C ATOM 4 O TYR A 357 7.095 12.356 1.824 1.00 14.34 O ATOM 5 CB TYR A 357 7.390 14.762 3.319 1.00 63.45 C ATOM 6 CG TYR A 357 8.377 15.379 2.325 1.00 63.54 C ATOM 7 CD1 TYR A 357 9.432 16.168 2.761 1.00 3.43 C ATOM 8 CD2 TYR A 357 8.241 15.174 0.957 1.00 21.15 C ATOM 9 CE1 TYR A 357 10.326 16.728 1.866 1.00 40.44 C ATOM 10 CE2 TYR A 357 9.125 15.728 0.058 1.00 72.05 C ATOM 11 CZ TYR A 357 10.168 16.504 0.515 1.00 23.11 C ATOM 12 OH TYR A 357 11.056 17.059 -0.390 1.00 41.45 O ATOM 0 HA TYR A 357 7.029 13.033 4.580 1.00 63.44 H new ATOM 0 HB2 TYR A 357 6.420 14.667 2.831 1.00 63.45 H new ATOM 0 HB3 TYR A 357 7.261 15.452 4.153 1.00 63.45 H new ATOM 0 HD1 TYR A 357 9.557 16.348 3.818 1.00 3.43 H new ATOM 0 HD2 TYR A 357 7.425 14.568 0.592 1.00 21.15 H new ATOM 0 HE1 TYR A 357 11.143 17.337 2.224 1.00 40.44 H new ATOM 0 HE2 TYR A 357 9.001 15.555 -1.001 1.00 72.05 H new ATOM 0 HH TYR A 357 10.800 16.801 -1.300 1.00 41.45 H new ATOM 24 N ARG A 358 8.864 11.460 2.801 1.00 40.41 N ATOM 25 CA ARG A 358 9.044 10.501 1.732 1.00 63.21 C ATOM 26 C ARG A 358 9.059 9.069 2.239 1.00 15.31 C ATOM 27 O ARG A 358 8.987 8.804 3.439 1.00 23.21 O ATOM 28 CB ARG A 358 10.336 10.791 0.952 1.00 4.22 C ATOM 29 CG ARG A 358 10.357 12.092 0.139 1.00 31.54 C ATOM 30 CD ARG A 358 9.456 12.045 -1.108 1.00 31.35 C ATOM 31 NE ARG A 358 8.018 11.897 -0.826 1.00 3.22 N ATOM 32 CZ ARG A 358 7.108 11.561 -1.755 1.00 73.31 C ATOM 33 NH1 ARG A 358 7.495 11.238 -2.982 1.00 13.21 N ATOM 34 NH2 ARG A 358 5.819 11.525 -1.450 1.00 53.43 N ATOM 0 H ARG A 358 9.531 11.379 3.569 1.00 40.41 H new ATOM 0 HA ARG A 358 8.188 10.609 1.066 1.00 63.21 H new ATOM 0 HB2 ARG A 358 11.165 10.815 1.659 1.00 4.22 H new ATOM 0 HB3 ARG A 358 10.520 9.959 0.272 1.00 4.22 H new ATOM 0 HG2 ARG A 358 10.039 12.916 0.777 1.00 31.54 H new ATOM 0 HG3 ARG A 358 11.381 12.303 -0.169 1.00 31.54 H new ATOM 0 HD2 ARG A 358 9.607 12.959 -1.683 1.00 31.35 H new ATOM 0 HD3 ARG A 358 9.775 11.215 -1.739 1.00 31.35 H new ATOM 0 HE ARG A 358 7.695 12.059 0.128 1.00 3.22 H new ATOM 0 HH11 ARG A 358 8.486 11.244 -3.222 1.00 13.21 H new ATOM 0 HH12 ARG A 358 6.801 10.983 -3.685 1.00 13.21 H new ATOM 0 HH21 ARG A 358 5.512 11.753 -0.504 1.00 53.43 H new ATOM 0 HH22 ARG A 358 5.134 11.269 -2.161 1.00 53.43 H new ATOM 46 N ALA A 359 9.161 8.185 1.313 1.00 10.12 N ATOM 47 CA ALA A 359 9.252 6.775 1.520 1.00 54.43 C ATOM 48 C ALA A 359 10.197 6.305 0.437 1.00 23.23 C ATOM 49 O ALA A 359 10.265 6.957 -0.611 1.00 12.45 O ATOM 50 CB ALA A 359 7.873 6.128 1.391 1.00 12.43 C ATOM 0 H ALA A 359 9.185 8.438 0.325 1.00 10.12 H new ATOM 0 HA ALA A 359 9.610 6.509 2.514 1.00 54.43 H new ATOM 0 HB1 ALA A 359 7.959 5.053 1.551 1.00 12.43 H new ATOM 0 HB2 ALA A 359 7.200 6.553 2.136 1.00 12.43 H new ATOM 0 HB3 ALA A 359 7.475 6.315 0.394 1.00 12.43 H new ATOM 56 N ILE A 360 10.926 5.243 0.639 1.00 4.25 N ATOM 57 CA ILE A 360 11.949 4.895 -0.325 1.00 25.23 C ATOM 58 C ILE A 360 11.331 4.166 -1.509 1.00 72.11 C ATOM 59 O ILE A 360 10.806 3.058 -1.396 1.00 63.00 O ATOM 60 CB ILE A 360 13.142 4.072 0.287 1.00 22.15 C ATOM 61 CG1 ILE A 360 13.920 4.872 1.377 1.00 24.15 C ATOM 62 CG2 ILE A 360 14.109 3.650 -0.811 1.00 4.32 C ATOM 63 CD1 ILE A 360 13.147 5.201 2.648 1.00 22.01 C ATOM 0 H ILE A 360 10.841 4.614 1.438 1.00 4.25 H new ATOM 0 HA ILE A 360 12.386 5.834 -0.666 1.00 25.23 H new ATOM 0 HB ILE A 360 12.707 3.193 0.763 1.00 22.15 H new ATOM 0 HG12 ILE A 360 14.807 4.302 1.653 1.00 24.15 H new ATOM 0 HG13 ILE A 360 14.266 5.806 0.935 1.00 24.15 H new ATOM 0 HG21 ILE A 360 14.930 3.081 -0.374 1.00 4.32 H new ATOM 0 HG22 ILE A 360 13.585 3.030 -1.539 1.00 4.32 H new ATOM 0 HG23 ILE A 360 14.505 4.536 -1.307 1.00 4.32 H new ATOM 0 HD11 ILE A 360 13.789 5.758 3.331 1.00 22.01 H new ATOM 0 HD12 ILE A 360 12.274 5.804 2.397 1.00 22.01 H new ATOM 0 HD13 ILE A 360 12.824 4.277 3.127 1.00 22.01 H new ATOM 70 N LYS A 361 11.428 4.807 -2.640 1.00 31.14 N ATOM 71 CA LYS A 361 10.788 4.381 -3.852 1.00 34.23 C ATOM 72 C LYS A 361 11.666 3.469 -4.691 1.00 32.31 C ATOM 73 O LYS A 361 12.886 3.520 -4.606 1.00 52.44 O ATOM 74 CB LYS A 361 10.318 5.609 -4.639 1.00 44.15 C ATOM 75 CG LYS A 361 11.414 6.642 -4.850 1.00 74.32 C ATOM 76 CD LYS A 361 10.916 7.872 -5.584 1.00 24.21 C ATOM 77 CE LYS A 361 12.020 8.918 -5.708 1.00 15.52 C ATOM 78 NZ LYS A 361 13.205 8.391 -6.424 1.00 42.35 N ATOM 0 H LYS A 361 11.970 5.664 -2.747 1.00 31.14 H new ATOM 0 HA LYS A 361 9.920 3.779 -3.584 1.00 34.23 H new ATOM 0 HB2 LYS A 361 9.939 5.287 -5.609 1.00 44.15 H new ATOM 0 HB3 LYS A 361 9.486 6.074 -4.110 1.00 44.15 H new ATOM 0 HG2 LYS A 361 11.820 6.939 -3.883 1.00 74.32 H new ATOM 0 HG3 LYS A 361 12.230 6.191 -5.414 1.00 74.32 H new ATOM 0 HD2 LYS A 361 10.564 7.590 -6.576 1.00 24.21 H new ATOM 0 HD3 LYS A 361 10.065 8.297 -5.053 1.00 24.21 H new ATOM 0 HE2 LYS A 361 11.635 9.790 -6.236 1.00 15.52 H new ATOM 0 HE3 LYS A 361 12.316 9.252 -4.714 1.00 15.52 H new ATOM 0 HZ1 LYS A 361 13.834 9.178 -6.681 1.00 42.35 H new ATOM 0 HZ2 LYS A 361 13.716 7.727 -5.808 1.00 42.35 H new ATOM 0 HZ3 LYS A 361 12.898 7.897 -7.287 1.00 42.35 H new ATOM 92 N GLY A 362 11.018 2.591 -5.465 1.00 32.20 N ATOM 93 CA GLY A 362 11.723 1.656 -6.340 1.00 54.15 C ATOM 94 C GLY A 362 12.267 0.440 -5.602 1.00 62.22 C ATOM 95 O GLY A 362 12.462 -0.626 -6.188 1.00 43.32 O ATOM 0 H GLY A 362 10.002 2.511 -5.501 1.00 32.20 H new ATOM 0 HA2 GLY A 362 11.046 1.323 -7.127 1.00 54.15 H new ATOM 0 HA3 GLY A 362 12.547 2.176 -6.828 1.00 54.15 H new ATOM 99 N MET A 363 12.483 0.601 -4.320 1.00 15.21 N ATOM 100 CA MET A 363 13.057 -0.443 -3.467 1.00 40.43 C ATOM 101 C MET A 363 12.039 -1.525 -3.211 1.00 74.34 C ATOM 102 O MET A 363 12.390 -2.699 -3.033 1.00 32.52 O ATOM 103 CB MET A 363 13.491 0.173 -2.133 1.00 73.41 C ATOM 104 CG MET A 363 14.107 -0.815 -1.147 1.00 22.24 C ATOM 105 SD MET A 363 14.508 -0.062 0.447 1.00 71.11 S ATOM 106 CE MET A 363 12.867 0.436 0.996 1.00 34.00 C ATOM 0 H MET A 363 12.267 1.465 -3.822 1.00 15.21 H new ATOM 0 HA MET A 363 13.919 -0.880 -3.971 1.00 40.43 H new ATOM 0 HB2 MET A 363 14.213 0.965 -2.332 1.00 73.41 H new ATOM 0 HB3 MET A 363 12.625 0.641 -1.665 1.00 73.41 H new ATOM 0 HG2 MET A 363 13.414 -1.642 -0.988 1.00 22.24 H new ATOM 0 HG3 MET A 363 15.013 -1.237 -1.582 1.00 22.24 H new ATOM 0 HE1 MET A 363 12.940 0.919 1.970 1.00 34.00 H new ATOM 0 HE2 MET A 363 12.439 1.134 0.276 1.00 34.00 H new ATOM 0 HE3 MET A 363 12.227 -0.443 1.074 1.00 34.00 H new ATOM 116 N GLU A 364 10.770 -1.105 -3.226 1.00 4.23 N ATOM 117 CA GLU A 364 9.602 -1.938 -2.926 1.00 22.11 C ATOM 118 C GLU A 364 9.571 -2.265 -1.443 1.00 10.14 C ATOM 119 O GLU A 364 10.604 -2.402 -0.798 1.00 13.41 O ATOM 120 CB GLU A 364 9.591 -3.281 -3.681 1.00 71.13 C ATOM 121 CG GLU A 364 9.764 -3.248 -5.183 1.00 23.04 C ATOM 122 CD GLU A 364 9.707 -4.656 -5.736 1.00 20.30 C ATOM 123 OE1 GLU A 364 10.575 -5.473 -5.357 1.00 52.11 O ATOM 124 OE2 GLU A 364 8.774 -4.988 -6.481 1.00 5.43 O ATOM 0 H GLU A 364 10.520 -0.143 -3.455 1.00 4.23 H new ATOM 0 HA GLU A 364 8.737 -1.355 -3.243 1.00 22.11 H new ATOM 0 HB2 GLU A 364 10.383 -3.905 -3.266 1.00 71.13 H new ATOM 0 HB3 GLU A 364 8.646 -3.779 -3.464 1.00 71.13 H new ATOM 0 HG2 GLU A 364 8.982 -2.638 -5.635 1.00 23.04 H new ATOM 0 HG3 GLU A 364 10.717 -2.785 -5.439 1.00 23.04 H new ATOM 131 N THR A 365 8.426 -2.378 -0.917 1.00 24.02 N ATOM 132 CA THR A 365 8.288 -2.846 0.412 1.00 52.52 C ATOM 133 C THR A 365 7.362 -4.031 0.386 1.00 74.12 C ATOM 134 O THR A 365 6.240 -3.925 -0.088 1.00 23.55 O ATOM 135 CB THR A 365 7.763 -1.746 1.356 1.00 72.10 C ATOM 136 OG1 THR A 365 8.678 -0.653 1.365 1.00 3.45 O ATOM 137 CG2 THR A 365 7.585 -2.288 2.762 1.00 64.42 C ATOM 0 H THR A 365 7.549 -2.151 -1.386 1.00 24.02 H new ATOM 0 HA THR A 365 9.263 -3.137 0.802 1.00 52.52 H new ATOM 0 HB THR A 365 6.792 -1.405 0.996 1.00 72.10 H new ATOM 0 HG1 THR A 365 9.585 -0.987 1.524 1.00 3.45 H new ATOM 0 HG21 THR A 365 7.214 -1.496 3.413 1.00 64.42 H new ATOM 0 HG22 THR A 365 6.870 -3.111 2.747 1.00 64.42 H new ATOM 0 HG23 THR A 365 8.543 -2.647 3.138 1.00 64.42 H new ATOM 143 N LYS A 366 7.832 -5.160 0.834 1.00 10.51 N ATOM 144 CA LYS A 366 7.004 -6.328 0.838 1.00 70.40 C ATOM 145 C LYS A 366 7.152 -7.073 2.141 1.00 52.51 C ATOM 146 O LYS A 366 8.253 -7.152 2.690 1.00 42.11 O ATOM 147 CB LYS A 366 7.271 -7.268 -0.366 1.00 73.12 C ATOM 148 CG LYS A 366 8.607 -7.977 -0.376 1.00 32.11 C ATOM 149 CD LYS A 366 9.783 -7.115 -0.803 1.00 74.30 C ATOM 150 CE LYS A 366 9.742 -6.792 -2.290 1.00 21.04 C ATOM 151 NZ LYS A 366 11.009 -6.161 -2.766 1.00 73.40 N ATOM 0 H LYS A 366 8.775 -5.295 1.198 1.00 10.51 H new ATOM 0 HA LYS A 366 5.975 -5.983 0.735 1.00 70.40 H new ATOM 0 HB2 LYS A 366 6.483 -8.021 -0.394 1.00 73.12 H new ATOM 0 HB3 LYS A 366 7.186 -6.684 -1.282 1.00 73.12 H new ATOM 0 HG2 LYS A 366 8.804 -8.366 0.623 1.00 32.11 H new ATOM 0 HG3 LYS A 366 8.542 -8.835 -1.045 1.00 32.11 H new ATOM 0 HD2 LYS A 366 9.780 -6.188 -0.230 1.00 74.30 H new ATOM 0 HD3 LYS A 366 10.714 -7.631 -0.569 1.00 74.30 H new ATOM 0 HE2 LYS A 366 9.560 -7.707 -2.854 1.00 21.04 H new ATOM 0 HE3 LYS A 366 8.906 -6.122 -2.491 1.00 21.04 H new ATOM 0 HZ1 LYS A 366 10.862 -5.761 -3.715 1.00 73.40 H new ATOM 0 HZ2 LYS A 366 11.288 -5.404 -2.110 1.00 73.40 H new ATOM 0 HZ3 LYS A 366 11.761 -6.879 -2.805 1.00 73.40 H new ATOM 165 N ARG A 367 6.053 -7.603 2.636 1.00 1.51 N ATOM 166 CA ARG A 367 6.041 -8.309 3.894 1.00 53.04 C ATOM 167 C ARG A 367 4.811 -9.224 3.980 1.00 31.14 C ATOM 168 O ARG A 367 3.728 -8.862 3.512 1.00 62.12 O ATOM 169 CB ARG A 367 6.123 -7.283 5.060 1.00 62.40 C ATOM 170 CG ARG A 367 6.088 -7.867 6.458 1.00 22.23 C ATOM 171 CD ARG A 367 4.731 -7.724 7.098 1.00 72.21 C ATOM 172 NE ARG A 367 4.673 -8.401 8.390 1.00 35.13 N ATOM 173 CZ ARG A 367 4.130 -7.915 9.504 1.00 44.41 C ATOM 174 NH1 ARG A 367 3.712 -6.647 9.561 1.00 2.15 N ATOM 175 NH2 ARG A 367 4.042 -8.692 10.583 1.00 55.14 N ATOM 0 H ARG A 367 5.144 -7.555 2.175 1.00 1.51 H new ATOM 0 HA ARG A 367 6.912 -8.960 3.972 1.00 53.04 H new ATOM 0 HB2 ARG A 367 7.043 -6.709 4.950 1.00 62.40 H new ATOM 0 HB3 ARG A 367 5.295 -6.581 4.959 1.00 62.40 H new ATOM 0 HG2 ARG A 367 6.360 -8.922 6.417 1.00 22.23 H new ATOM 0 HG3 ARG A 367 6.835 -7.370 7.077 1.00 22.23 H new ATOM 0 HD2 ARG A 367 4.500 -6.667 7.230 1.00 72.21 H new ATOM 0 HD3 ARG A 367 3.970 -8.137 6.436 1.00 72.21 H new ATOM 0 HE ARG A 367 5.086 -9.332 8.444 1.00 35.13 H new ATOM 0 HH11 ARG A 367 3.808 -6.041 8.746 1.00 2.15 H new ATOM 0 HH12 ARG A 367 3.297 -6.285 10.420 1.00 2.15 H new ATOM 0 HH21 ARG A 367 4.389 -9.651 10.551 1.00 55.14 H new ATOM 0 HH22 ARG A 367 3.627 -8.328 11.441 1.00 55.14 H new ATOM 187 N GLU A 368 4.998 -10.420 4.533 1.00 14.23 N ATOM 188 CA GLU A 368 3.918 -11.396 4.677 1.00 55.21 C ATOM 189 C GLU A 368 3.017 -11.006 5.816 1.00 13.13 C ATOM 190 O GLU A 368 3.473 -10.827 6.946 1.00 54.04 O ATOM 191 CB GLU A 368 4.444 -12.827 4.933 1.00 55.45 C ATOM 192 CG GLU A 368 5.230 -13.486 3.794 1.00 34.50 C ATOM 193 CD GLU A 368 6.480 -12.749 3.411 1.00 32.52 C ATOM 194 OE1 GLU A 368 7.433 -12.715 4.211 1.00 64.44 O ATOM 195 OE2 GLU A 368 6.534 -12.202 2.301 1.00 40.41 O ATOM 0 H GLU A 368 5.897 -10.740 4.893 1.00 14.23 H new ATOM 0 HA GLU A 368 3.370 -11.397 3.735 1.00 55.21 H new ATOM 0 HB2 GLU A 368 5.082 -12.802 5.816 1.00 55.45 H new ATOM 0 HB3 GLU A 368 3.593 -13.465 5.172 1.00 55.45 H new ATOM 0 HG2 GLU A 368 5.495 -14.502 4.089 1.00 34.50 H new ATOM 0 HG3 GLU A 368 4.585 -13.566 2.919 1.00 34.50 H new ATOM 202 N ILE A 369 1.754 -10.866 5.526 1.00 65.14 N ATOM 203 CA ILE A 369 0.786 -10.507 6.513 1.00 23.43 C ATOM 204 C ILE A 369 -0.323 -11.501 6.390 1.00 3.22 C ATOM 205 O ILE A 369 -0.915 -11.624 5.338 1.00 72.41 O ATOM 206 CB ILE A 369 0.238 -9.092 6.236 1.00 31.15 C ATOM 207 CG1 ILE A 369 1.396 -8.128 6.068 1.00 4.45 C ATOM 208 CG2 ILE A 369 -0.646 -8.635 7.397 1.00 64.43 C ATOM 209 CD1 ILE A 369 1.002 -6.766 5.622 1.00 21.40 C ATOM 0 H ILE A 369 1.369 -11.000 4.591 1.00 65.14 H new ATOM 0 HA ILE A 369 1.225 -10.508 7.511 1.00 23.43 H new ATOM 0 HB ILE A 369 -0.358 -9.111 5.324 1.00 31.15 H new ATOM 0 HG12 ILE A 369 1.926 -8.047 7.017 1.00 4.45 H new ATOM 0 HG13 ILE A 369 2.098 -8.545 5.346 1.00 4.45 H new ATOM 0 HG21 ILE A 369 -1.028 -7.635 7.192 1.00 64.43 H new ATOM 0 HG22 ILE A 369 -1.481 -9.326 7.512 1.00 64.43 H new ATOM 0 HG23 ILE A 369 -0.060 -8.618 8.316 1.00 64.43 H new ATOM 0 HD11 ILE A 369 1.891 -6.143 5.528 1.00 21.40 H new ATOM 0 HD12 ILE A 369 0.500 -6.830 4.657 1.00 21.40 H new ATOM 0 HD13 ILE A 369 0.326 -6.325 6.354 1.00 21.40 H new ATOM 216 N GLY A 370 -0.555 -12.261 7.424 1.00 31.21 N ATOM 217 CA GLY A 370 -1.582 -13.283 7.378 1.00 20.05 C ATOM 218 C GLY A 370 -1.239 -14.403 6.400 1.00 30.11 C ATOM 219 O GLY A 370 -2.102 -15.208 6.025 1.00 53.51 O ATOM 0 H GLY A 370 -0.053 -12.198 8.309 1.00 31.21 H new ATOM 0 HA2 GLY A 370 -1.719 -13.703 8.375 1.00 20.05 H new ATOM 0 HA3 GLY A 370 -2.530 -12.830 7.090 1.00 20.05 H new ATOM 223 N GLY A 371 0.014 -14.440 5.976 1.00 10.13 N ATOM 224 CA GLY A 371 0.463 -15.455 5.078 1.00 62.34 C ATOM 225 C GLY A 371 0.672 -14.950 3.680 1.00 10.34 C ATOM 226 O GLY A 371 1.414 -15.546 2.906 1.00 43.33 O ATOM 0 H GLY A 371 0.731 -13.768 6.250 1.00 10.13 H new ATOM 0 HA2 GLY A 371 1.398 -15.875 5.450 1.00 62.34 H new ATOM 0 HA3 GLY A 371 -0.266 -16.265 5.061 1.00 62.34 H new ATOM 230 N TYR A 372 0.034 -13.861 3.344 1.00 4.24 N ATOM 231 CA TYR A 372 0.149 -13.314 2.027 1.00 65.05 C ATOM 232 C TYR A 372 1.156 -12.187 1.989 1.00 4.11 C ATOM 233 O TYR A 372 1.197 -11.346 2.885 1.00 32.33 O ATOM 234 CB TYR A 372 -1.236 -12.908 1.473 1.00 23.52 C ATOM 235 CG TYR A 372 -2.094 -12.084 2.413 1.00 31.11 C ATOM 236 CD1 TYR A 372 -1.911 -10.728 2.552 1.00 33.32 C ATOM 237 CD2 TYR A 372 -3.100 -12.691 3.165 1.00 71.23 C ATOM 238 CE1 TYR A 372 -2.693 -9.988 3.408 1.00 31.32 C ATOM 239 CE2 TYR A 372 -3.889 -11.958 4.027 1.00 13.52 C ATOM 240 CZ TYR A 372 -3.683 -10.606 4.147 1.00 51.20 C ATOM 241 OH TYR A 372 -4.465 -9.868 5.014 1.00 62.14 O ATOM 0 H TYR A 372 -0.574 -13.335 3.972 1.00 4.24 H new ATOM 0 HA TYR A 372 0.533 -14.088 1.363 1.00 65.05 H new ATOM 0 HB2 TYR A 372 -1.089 -12.343 0.552 1.00 23.52 H new ATOM 0 HB3 TYR A 372 -1.783 -13.813 1.208 1.00 23.52 H new ATOM 0 HD1 TYR A 372 -1.140 -10.235 1.979 1.00 33.32 H new ATOM 0 HD2 TYR A 372 -3.264 -13.754 3.071 1.00 71.23 H new ATOM 0 HE1 TYR A 372 -2.533 -8.924 3.502 1.00 31.32 H new ATOM 0 HE2 TYR A 372 -4.663 -12.444 4.603 1.00 13.52 H new ATOM 0 HH TYR A 372 -5.113 -10.458 5.453 1.00 62.14 H new ATOM 251 N THR A 373 1.985 -12.199 0.977 1.00 11.33 N ATOM 252 CA THR A 373 3.004 -11.203 0.821 1.00 63.14 C ATOM 253 C THR A 373 2.412 -9.934 0.238 1.00 65.34 C ATOM 254 O THR A 373 1.915 -9.925 -0.884 1.00 73.41 O ATOM 255 CB THR A 373 4.146 -11.724 -0.090 1.00 10.35 C ATOM 256 OG1 THR A 373 4.710 -12.925 0.489 1.00 41.13 O ATOM 257 CG2 THR A 373 5.250 -10.675 -0.250 1.00 2.40 C ATOM 0 H THR A 373 1.969 -12.903 0.239 1.00 11.33 H new ATOM 0 HA THR A 373 3.420 -10.982 1.804 1.00 63.14 H new ATOM 0 HB THR A 373 3.729 -11.937 -1.074 1.00 10.35 H new ATOM 0 HG1 THR A 373 5.469 -12.687 1.061 1.00 41.13 H new ATOM 0 HG21 THR A 373 6.036 -11.069 -0.894 1.00 2.40 H new ATOM 0 HG22 THR A 373 4.833 -9.773 -0.698 1.00 2.40 H new ATOM 0 HG23 THR A 373 5.668 -10.435 0.728 1.00 2.40 H new ATOM 263 N TYR A 374 2.428 -8.893 1.011 1.00 15.30 N ATOM 264 CA TYR A 374 1.973 -7.629 0.551 1.00 54.20 C ATOM 265 C TYR A 374 3.133 -6.884 -0.013 1.00 34.10 C ATOM 266 O TYR A 374 4.176 -6.836 0.612 1.00 61.24 O ATOM 267 CB TYR A 374 1.366 -6.842 1.684 1.00 62.21 C ATOM 268 CG TYR A 374 -0.069 -6.563 1.466 1.00 11.25 C ATOM 269 CD1 TYR A 374 -0.463 -5.652 0.502 1.00 45.14 C ATOM 270 CD2 TYR A 374 -1.036 -7.208 2.196 1.00 24.53 C ATOM 271 CE1 TYR A 374 -1.767 -5.384 0.274 1.00 71.50 C ATOM 272 CE2 TYR A 374 -2.373 -6.940 1.973 1.00 53.22 C ATOM 273 CZ TYR A 374 -2.731 -6.030 1.013 1.00 5.44 C ATOM 274 OH TYR A 374 -4.064 -5.767 0.795 1.00 72.34 O ATOM 0 H TYR A 374 2.757 -8.901 1.976 1.00 15.30 H new ATOM 0 HA TYR A 374 1.209 -7.774 -0.213 1.00 54.20 H new ATOM 0 HB2 TYR A 374 1.489 -7.395 2.615 1.00 62.21 H new ATOM 0 HB3 TYR A 374 1.904 -5.901 1.799 1.00 62.21 H new ATOM 0 HD1 TYR A 374 0.290 -5.143 -0.082 1.00 45.14 H new ATOM 0 HD2 TYR A 374 -0.750 -7.928 2.948 1.00 24.53 H new ATOM 0 HE1 TYR A 374 -2.051 -4.668 -0.483 1.00 71.50 H new ATOM 0 HE2 TYR A 374 -3.132 -7.445 2.552 1.00 53.22 H new ATOM 0 HH TYR A 374 -4.608 -6.310 1.403 1.00 72.34 H new ATOM 284 N LYS A 375 2.973 -6.307 -1.177 1.00 60.43 N ATOM 285 CA LYS A 375 4.066 -5.606 -1.795 1.00 13.34 C ATOM 286 C LYS A 375 3.625 -4.265 -2.274 1.00 70.12 C ATOM 287 O LYS A 375 2.610 -4.144 -2.924 1.00 61.20 O ATOM 288 CB LYS A 375 4.683 -6.365 -2.981 1.00 23.05 C ATOM 289 CG LYS A 375 5.951 -5.674 -3.475 1.00 41.44 C ATOM 290 CD LYS A 375 6.586 -6.340 -4.658 1.00 72.35 C ATOM 291 CE LYS A 375 5.829 -6.098 -5.950 1.00 62.31 C ATOM 292 NZ LYS A 375 6.617 -6.577 -7.111 1.00 63.40 N ATOM 0 H LYS A 375 2.104 -6.309 -1.711 1.00 60.43 H new ATOM 0 HA LYS A 375 4.829 -5.511 -1.022 1.00 13.34 H new ATOM 0 HB2 LYS A 375 4.915 -7.387 -2.682 1.00 23.05 H new ATOM 0 HB3 LYS A 375 3.959 -6.427 -3.793 1.00 23.05 H new ATOM 0 HG2 LYS A 375 5.713 -4.643 -3.736 1.00 41.44 H new ATOM 0 HG3 LYS A 375 6.674 -5.638 -2.660 1.00 41.44 H new ATOM 0 HD2 LYS A 375 7.608 -5.976 -4.768 1.00 72.35 H new ATOM 0 HD3 LYS A 375 6.648 -7.413 -4.475 1.00 72.35 H new ATOM 0 HE2 LYS A 375 4.869 -6.613 -5.918 1.00 62.31 H new ATOM 0 HE3 LYS A 375 5.617 -5.035 -6.061 1.00 62.31 H new ATOM 0 HZ1 LYS A 375 6.077 -6.419 -7.986 1.00 63.40 H new ATOM 0 HZ2 LYS A 375 7.515 -6.055 -7.160 1.00 63.40 H new ATOM 0 HZ3 LYS A 375 6.812 -7.593 -7.003 1.00 63.40 H new ATOM 306 N VAL A 376 4.383 -3.286 -1.963 1.00 71.33 N ATOM 307 CA VAL A 376 4.120 -1.952 -2.427 1.00 20.43 C ATOM 308 C VAL A 376 5.323 -1.420 -3.202 1.00 63.45 C ATOM 309 O VAL A 376 6.444 -1.354 -2.676 1.00 52.11 O ATOM 310 CB VAL A 376 3.721 -0.991 -1.250 1.00 45.43 C ATOM 311 CG1 VAL A 376 4.762 -0.993 -0.169 1.00 20.12 C ATOM 312 CG2 VAL A 376 3.487 0.430 -1.742 1.00 42.34 C ATOM 0 H VAL A 376 5.213 -3.372 -1.376 1.00 71.33 H new ATOM 0 HA VAL A 376 3.264 -1.990 -3.101 1.00 20.43 H new ATOM 0 HB VAL A 376 2.786 -1.369 -0.835 1.00 45.43 H new ATOM 0 HG11 VAL A 376 4.457 -0.318 0.631 1.00 20.12 H new ATOM 0 HG12 VAL A 376 4.871 -2.002 0.229 1.00 20.12 H new ATOM 0 HG13 VAL A 376 5.715 -0.660 -0.581 1.00 20.12 H new ATOM 0 HG21 VAL A 376 3.213 1.066 -0.900 1.00 42.34 H new ATOM 0 HG22 VAL A 376 4.399 0.810 -2.202 1.00 42.34 H new ATOM 0 HG23 VAL A 376 2.681 0.433 -2.476 1.00 42.34 H new ATOM 318 N VAL A 377 5.124 -1.114 -4.468 1.00 10.42 N ATOM 319 CA VAL A 377 6.176 -0.517 -5.227 1.00 65.15 C ATOM 320 C VAL A 377 5.798 0.920 -5.435 1.00 1.22 C ATOM 321 O VAL A 377 4.807 1.219 -6.110 1.00 15.43 O ATOM 322 CB VAL A 377 6.375 -1.195 -6.595 1.00 13.32 C ATOM 323 CG1 VAL A 377 7.627 -0.662 -7.290 1.00 53.35 C ATOM 324 CG2 VAL A 377 6.416 -2.697 -6.452 1.00 22.43 C ATOM 0 H VAL A 377 4.254 -1.270 -4.977 1.00 10.42 H new ATOM 0 HA VAL A 377 7.116 -0.626 -4.685 1.00 65.15 H new ATOM 0 HB VAL A 377 5.520 -0.949 -7.225 1.00 13.32 H new ATOM 0 HG11 VAL A 377 7.746 -1.156 -8.254 1.00 53.35 H new ATOM 0 HG12 VAL A 377 7.529 0.413 -7.443 1.00 53.35 H new ATOM 0 HG13 VAL A 377 8.501 -0.862 -6.670 1.00 53.35 H new ATOM 0 HG21 VAL A 377 6.557 -3.152 -7.432 1.00 22.43 H new ATOM 0 HG22 VAL A 377 7.242 -2.978 -5.799 1.00 22.43 H new ATOM 0 HG23 VAL A 377 5.478 -3.047 -6.021 1.00 22.43 H new ATOM 330 N PHE A 378 6.587 1.795 -4.885 1.00 43.52 N ATOM 331 CA PHE A 378 6.297 3.205 -4.877 1.00 64.13 C ATOM 332 C PHE A 378 6.271 3.822 -6.253 1.00 32.12 C ATOM 333 O PHE A 378 7.161 3.586 -7.078 1.00 4.23 O ATOM 334 CB PHE A 378 7.219 3.945 -3.936 1.00 22.23 C ATOM 335 CG PHE A 378 7.042 3.533 -2.501 1.00 35.32 C ATOM 336 CD1 PHE A 378 6.107 4.164 -1.703 1.00 24.04 C ATOM 337 CD2 PHE A 378 7.803 2.511 -1.956 1.00 72.15 C ATOM 338 CE1 PHE A 378 5.933 3.789 -0.389 1.00 33.25 C ATOM 339 CE2 PHE A 378 7.633 2.130 -0.642 1.00 73.31 C ATOM 340 CZ PHE A 378 6.697 2.771 0.142 1.00 11.31 C ATOM 0 H PHE A 378 7.462 1.550 -4.422 1.00 43.52 H new ATOM 0 HA PHE A 378 5.280 3.308 -4.499 1.00 64.13 H new ATOM 0 HB2 PHE A 378 8.252 3.769 -4.235 1.00 22.23 H new ATOM 0 HB3 PHE A 378 7.039 5.016 -4.026 1.00 22.23 H new ATOM 0 HD1 PHE A 378 5.505 4.961 -2.114 1.00 24.04 H new ATOM 0 HD2 PHE A 378 8.537 2.008 -2.567 1.00 72.15 H new ATOM 0 HE1 PHE A 378 5.200 4.291 0.224 1.00 33.25 H new ATOM 0 HE2 PHE A 378 8.231 1.332 -0.228 1.00 73.31 H new ATOM 0 HZ PHE A 378 6.562 2.476 1.172 1.00 11.31 H new ATOM 350 N TYR A 379 5.210 4.598 -6.481 1.00 31.55 N ATOM 351 CA TYR A 379 4.934 5.272 -7.734 1.00 40.44 C ATOM 352 C TYR A 379 4.660 4.295 -8.866 1.00 75.51 C ATOM 353 O TYR A 379 4.770 4.630 -10.040 1.00 22.24 O ATOM 354 CB TYR A 379 5.987 6.349 -8.060 1.00 32.12 C ATOM 355 CG TYR A 379 5.862 7.563 -7.142 1.00 32.42 C ATOM 356 CD1 TYR A 379 6.323 7.532 -5.828 1.00 20.02 C ATOM 357 CD2 TYR A 379 5.231 8.726 -7.586 1.00 4.23 C ATOM 358 CE1 TYR A 379 6.170 8.625 -4.990 1.00 2.11 C ATOM 359 CE2 TYR A 379 5.071 9.819 -6.749 1.00 4.34 C ATOM 360 CZ TYR A 379 5.543 9.764 -5.459 1.00 45.24 C ATOM 361 OH TYR A 379 5.375 10.846 -4.624 1.00 41.24 O ATOM 0 H TYR A 379 4.501 4.775 -5.770 1.00 31.55 H new ATOM 0 HA TYR A 379 4.001 5.822 -7.611 1.00 40.44 H new ATOM 0 HB2 TYR A 379 6.985 5.922 -7.963 1.00 32.12 H new ATOM 0 HB3 TYR A 379 5.874 6.665 -9.097 1.00 32.12 H new ATOM 0 HD1 TYR A 379 6.808 6.641 -5.456 1.00 20.02 H new ATOM 0 HD2 TYR A 379 4.861 8.775 -8.599 1.00 4.23 H new ATOM 0 HE1 TYR A 379 6.539 8.587 -3.976 1.00 2.11 H new ATOM 0 HE2 TYR A 379 4.578 10.710 -7.109 1.00 4.34 H new ATOM 0 HH TYR A 379 4.918 11.565 -5.108 1.00 41.24 H new ATOM 371 N GLU A 380 4.232 3.091 -8.493 1.00 13.22 N ATOM 372 CA GLU A 380 3.858 2.074 -9.451 1.00 12.22 C ATOM 373 C GLU A 380 2.569 1.343 -9.071 1.00 71.31 C ATOM 374 O GLU A 380 1.474 1.729 -9.513 1.00 22.11 O ATOM 375 CB GLU A 380 5.002 1.093 -9.737 1.00 24.51 C ATOM 376 CG GLU A 380 6.121 1.709 -10.551 1.00 71.30 C ATOM 377 CD GLU A 380 7.242 0.762 -10.852 1.00 60.44 C ATOM 378 OE1 GLU A 380 7.030 -0.192 -11.628 1.00 33.41 O ATOM 379 OE2 GLU A 380 8.356 0.956 -10.334 1.00 14.22 O ATOM 0 H GLU A 380 4.138 2.801 -7.520 1.00 13.22 H new ATOM 0 HA GLU A 380 3.651 2.605 -10.380 1.00 12.22 H new ATOM 0 HB2 GLU A 380 5.406 0.729 -8.792 1.00 24.51 H new ATOM 0 HB3 GLU A 380 4.607 0.228 -10.269 1.00 24.51 H new ATOM 0 HG2 GLU A 380 5.712 2.083 -11.490 1.00 71.30 H new ATOM 0 HG3 GLU A 380 6.519 2.569 -10.012 1.00 71.30 H new ATOM 386 N ASN A 381 2.684 0.338 -8.212 1.00 61.41 N ATOM 387 CA ASN A 381 1.545 -0.526 -7.866 1.00 23.11 C ATOM 388 C ASN A 381 1.786 -1.388 -6.627 1.00 33.24 C ATOM 389 O ASN A 381 2.933 -1.619 -6.228 1.00 11.12 O ATOM 390 CB ASN A 381 1.092 -1.390 -9.074 1.00 0.40 C ATOM 391 CG ASN A 381 2.234 -2.071 -9.846 1.00 20.31 C ATOM 392 OD1 ASN A 381 3.335 -2.369 -9.194 1.00 63.13 O flip ATOM 393 ND2 ASN A 381 2.106 -2.315 -11.045 1.00 12.50 N flip ATOM 0 H ASN A 381 3.553 0.095 -7.737 1.00 61.41 H new ATOM 0 HA ASN A 381 0.731 0.152 -7.608 1.00 23.11 H new ATOM 0 HB2 ASN A 381 0.406 -2.158 -8.716 1.00 0.40 H new ATOM 0 HB3 ASN A 381 0.532 -0.759 -9.764 1.00 0.40 H new ATOM 0 HD21 ASN A 381 1.239 -2.072 -11.525 1.00 12.50 H new ATOM 0 HD22 ASN A 381 2.866 -2.760 -11.559 1.00 12.50 H new ATOM 399 N VAL A 382 0.686 -1.854 -6.043 1.00 11.21 N ATOM 400 CA VAL A 382 0.672 -2.673 -4.821 1.00 4.13 C ATOM 401 C VAL A 382 0.108 -4.049 -5.138 1.00 51.02 C ATOM 402 O VAL A 382 -0.771 -4.181 -5.993 1.00 11.12 O ATOM 403 CB VAL A 382 -0.208 -2.007 -3.704 1.00 45.32 C ATOM 404 CG1 VAL A 382 -0.278 -2.855 -2.435 1.00 13.10 C ATOM 405 CG2 VAL A 382 0.329 -0.659 -3.359 1.00 14.34 C ATOM 0 H VAL A 382 -0.248 -1.671 -6.411 1.00 11.21 H new ATOM 0 HA VAL A 382 1.696 -2.757 -4.457 1.00 4.13 H new ATOM 0 HB VAL A 382 -1.217 -1.920 -4.108 1.00 45.32 H new ATOM 0 HG11 VAL A 382 -0.898 -2.350 -1.694 1.00 13.10 H new ATOM 0 HG12 VAL A 382 -0.712 -3.827 -2.670 1.00 13.10 H new ATOM 0 HG13 VAL A 382 0.726 -2.994 -2.034 1.00 13.10 H new ATOM 0 HG21 VAL A 382 -0.290 -0.208 -2.583 1.00 14.34 H new ATOM 0 HG22 VAL A 382 1.352 -0.757 -2.995 1.00 14.34 H new ATOM 0 HG23 VAL A 382 0.318 -0.025 -4.246 1.00 14.34 H new ATOM 411 N PHE A 383 0.610 -5.056 -4.463 1.00 12.23 N ATOM 412 CA PHE A 383 0.209 -6.429 -4.670 1.00 23.51 C ATOM 413 C PHE A 383 -0.024 -7.141 -3.367 1.00 62.32 C ATOM 414 O PHE A 383 0.546 -6.786 -2.342 1.00 35.02 O ATOM 415 CB PHE A 383 1.283 -7.182 -5.460 1.00 40.31 C ATOM 416 CG PHE A 383 1.396 -6.743 -6.873 1.00 34.43 C ATOM 417 CD1 PHE A 383 2.182 -5.665 -7.213 1.00 21.22 C ATOM 418 CD2 PHE A 383 0.704 -7.399 -7.864 1.00 52.00 C ATOM 419 CE1 PHE A 383 2.273 -5.250 -8.509 1.00 71.51 C ATOM 420 CE2 PHE A 383 0.789 -6.989 -9.169 1.00 64.30 C ATOM 421 CZ PHE A 383 1.575 -5.909 -9.493 1.00 42.40 C ATOM 0 H PHE A 383 1.322 -4.943 -3.741 1.00 12.23 H new ATOM 0 HA PHE A 383 -0.726 -6.411 -5.231 1.00 23.51 H new ATOM 0 HB2 PHE A 383 2.246 -7.047 -4.968 1.00 40.31 H new ATOM 0 HB3 PHE A 383 1.059 -8.249 -5.436 1.00 40.31 H new ATOM 0 HD1 PHE A 383 2.733 -5.142 -6.445 1.00 21.22 H new ATOM 0 HD2 PHE A 383 0.086 -8.248 -7.611 1.00 52.00 H new ATOM 0 HE1 PHE A 383 2.894 -4.403 -8.762 1.00 71.51 H new ATOM 0 HE2 PHE A 383 0.241 -7.512 -9.939 1.00 64.30 H new ATOM 0 HZ PHE A 383 1.644 -5.579 -10.519 1.00 42.40 H new ATOM 431 N GLN A 384 -0.881 -8.120 -3.413 1.00 33.53 N ATOM 432 CA GLN A 384 -1.103 -9.012 -2.326 1.00 64.35 C ATOM 433 C GLN A 384 -0.958 -10.400 -2.882 1.00 70.45 C ATOM 434 O GLN A 384 -1.820 -10.850 -3.646 1.00 2.44 O ATOM 435 CB GLN A 384 -2.502 -8.888 -1.771 1.00 14.14 C ATOM 436 CG GLN A 384 -2.721 -9.709 -0.518 1.00 64.32 C ATOM 437 CD GLN A 384 -4.166 -9.888 -0.191 1.00 14.43 C ATOM 438 OE1 GLN A 384 -4.792 -10.850 -0.620 1.00 31.42 O ATOM 439 NE2 GLN A 384 -4.709 -8.973 0.535 1.00 12.32 N ATOM 0 H GLN A 384 -1.456 -8.320 -4.231 1.00 33.53 H new ATOM 0 HA GLN A 384 -0.399 -8.787 -1.525 1.00 64.35 H new ATOM 0 HB2 GLN A 384 -2.707 -7.840 -1.552 1.00 14.14 H new ATOM 0 HB3 GLN A 384 -3.217 -9.201 -2.532 1.00 14.14 H new ATOM 0 HG2 GLN A 384 -2.258 -10.687 -0.644 1.00 64.32 H new ATOM 0 HG3 GLN A 384 -2.220 -9.225 0.321 1.00 64.32 H new ATOM 0 HE21 GLN A 384 -4.149 -8.189 0.871 1.00 12.32 H new ATOM 0 HE22 GLN A 384 -5.699 -9.032 0.774 1.00 12.32 H new ATOM 447 N ASP A 385 0.134 -11.041 -2.549 1.00 32.11 N ATOM 448 CA ASP A 385 0.460 -12.406 -2.994 1.00 54.13 C ATOM 449 C ASP A 385 0.768 -12.422 -4.485 1.00 41.12 C ATOM 450 O ASP A 385 1.920 -12.339 -4.893 1.00 4.20 O ATOM 451 CB ASP A 385 -0.677 -13.398 -2.681 1.00 35.13 C ATOM 452 CG ASP A 385 -0.315 -14.837 -2.980 1.00 21.41 C ATOM 453 OD1 ASP A 385 -0.458 -15.267 -4.145 1.00 33.44 O ATOM 454 OD2 ASP A 385 0.108 -15.560 -2.046 1.00 54.02 O ATOM 0 H ASP A 385 0.849 -10.633 -1.947 1.00 32.11 H new ATOM 0 HA ASP A 385 1.344 -12.725 -2.441 1.00 54.13 H new ATOM 0 HB2 ASP A 385 -0.947 -13.310 -1.629 1.00 35.13 H new ATOM 0 HB3 ASP A 385 -1.559 -13.124 -3.261 1.00 35.13 H new ATOM 459 N SER A 386 -0.271 -12.488 -5.278 1.00 2.15 N ATOM 460 CA SER A 386 -0.175 -12.467 -6.711 1.00 2.41 C ATOM 461 C SER A 386 -1.242 -11.531 -7.265 1.00 14.04 C ATOM 462 O SER A 386 -1.290 -11.248 -8.465 1.00 3.44 O ATOM 463 CB SER A 386 -0.398 -13.876 -7.254 1.00 23.33 C ATOM 464 OG SER A 386 0.541 -14.797 -6.704 1.00 44.14 O ATOM 0 H SER A 386 -1.229 -12.559 -4.935 1.00 2.15 H new ATOM 0 HA SER A 386 0.813 -12.117 -7.012 1.00 2.41 H new ATOM 0 HB2 SER A 386 -1.411 -14.202 -7.019 1.00 23.33 H new ATOM 0 HB3 SER A 386 -0.309 -13.868 -8.340 1.00 23.33 H new ATOM 0 HG SER A 386 0.267 -15.040 -5.795 1.00 44.14 H new ATOM 470 N ILE A 387 -2.084 -11.036 -6.373 1.00 21.25 N ATOM 471 CA ILE A 387 -3.198 -10.195 -6.756 1.00 15.33 C ATOM 472 C ILE A 387 -2.779 -8.728 -6.779 1.00 45.10 C ATOM 473 O ILE A 387 -2.149 -8.244 -5.838 1.00 31.25 O ATOM 474 CB ILE A 387 -4.398 -10.386 -5.771 1.00 43.30 C ATOM 475 CG1 ILE A 387 -4.859 -11.858 -5.751 1.00 61.43 C ATOM 476 CG2 ILE A 387 -5.569 -9.462 -6.118 1.00 61.14 C ATOM 477 CD1 ILE A 387 -5.338 -12.383 -7.096 1.00 62.04 C ATOM 0 H ILE A 387 -2.013 -11.206 -5.370 1.00 21.25 H new ATOM 0 HA ILE A 387 -3.513 -10.489 -7.757 1.00 15.33 H new ATOM 0 HB ILE A 387 -4.048 -10.116 -4.775 1.00 43.30 H new ATOM 0 HG12 ILE A 387 -4.034 -12.480 -5.404 1.00 61.43 H new ATOM 0 HG13 ILE A 387 -5.665 -11.964 -5.025 1.00 61.43 H new ATOM 0 HG21 ILE A 387 -6.383 -9.625 -5.411 1.00 61.14 H new ATOM 0 HG22 ILE A 387 -5.242 -8.424 -6.062 1.00 61.14 H new ATOM 0 HG23 ILE A 387 -5.917 -9.679 -7.128 1.00 61.14 H new ATOM 0 HD11 ILE A 387 -5.643 -13.424 -6.992 1.00 62.04 H new ATOM 0 HD12 ILE A 387 -6.185 -11.789 -7.438 1.00 62.04 H new ATOM 0 HD13 ILE A 387 -4.529 -12.313 -7.823 1.00 62.04 H new ATOM 484 N LEU A 388 -3.130 -8.035 -7.844 1.00 41.24 N ATOM 485 CA LEU A 388 -2.851 -6.625 -7.969 1.00 62.44 C ATOM 486 C LEU A 388 -3.835 -5.870 -7.113 1.00 20.21 C ATOM 487 O LEU A 388 -5.037 -5.926 -7.329 1.00 44.52 O ATOM 488 CB LEU A 388 -2.974 -6.193 -9.440 1.00 51.12 C ATOM 489 CG LEU A 388 -2.811 -4.691 -9.740 1.00 14.11 C ATOM 490 CD1 LEU A 388 -1.454 -4.175 -9.308 1.00 11.45 C ATOM 491 CD2 LEU A 388 -3.056 -4.409 -11.212 1.00 51.55 C ATOM 0 H LEU A 388 -3.617 -8.437 -8.645 1.00 41.24 H new ATOM 0 HA LEU A 388 -1.835 -6.411 -7.638 1.00 62.44 H new ATOM 0 HB2 LEU A 388 -2.227 -6.738 -10.017 1.00 51.12 H new ATOM 0 HB3 LEU A 388 -3.951 -6.508 -9.806 1.00 51.12 H new ATOM 0 HG LEU A 388 -3.560 -4.156 -9.157 1.00 14.11 H new ATOM 0 HD11 LEU A 388 -1.379 -3.112 -9.537 1.00 11.45 H new ATOM 0 HD12 LEU A 388 -1.333 -4.324 -8.235 1.00 11.45 H new ATOM 0 HD13 LEU A 388 -0.672 -4.717 -9.841 1.00 11.45 H new ATOM 0 HD21 LEU A 388 -2.936 -3.343 -11.403 1.00 51.55 H new ATOM 0 HD22 LEU A 388 -2.340 -4.968 -11.814 1.00 51.55 H new ATOM 0 HD23 LEU A 388 -4.068 -4.713 -11.477 1.00 51.55 H new ATOM 499 N LEU A 389 -3.335 -5.206 -6.131 1.00 24.41 N ATOM 500 CA LEU A 389 -4.134 -4.521 -5.218 1.00 54.30 C ATOM 501 C LEU A 389 -4.571 -3.205 -5.833 1.00 23.12 C ATOM 502 O LEU A 389 -5.751 -2.985 -6.052 1.00 10.31 O ATOM 503 CB LEU A 389 -3.287 -4.292 -4.009 1.00 33.10 C ATOM 504 CG LEU A 389 -3.954 -4.318 -2.677 1.00 64.14 C ATOM 505 CD1 LEU A 389 -5.062 -3.295 -2.554 1.00 24.34 C ATOM 506 CD2 LEU A 389 -4.432 -5.712 -2.338 1.00 51.40 C ATOM 0 H LEU A 389 -2.334 -5.132 -5.949 1.00 24.41 H new ATOM 0 HA LEU A 389 -5.032 -5.079 -4.953 1.00 54.30 H new ATOM 0 HB2 LEU A 389 -2.500 -5.046 -4.004 1.00 33.10 H new ATOM 0 HB3 LEU A 389 -2.800 -3.323 -4.120 1.00 33.10 H new ATOM 0 HG LEU A 389 -3.203 -4.032 -1.941 1.00 64.14 H new ATOM 0 HD11 LEU A 389 -5.510 -3.362 -1.563 1.00 24.34 H new ATOM 0 HD12 LEU A 389 -4.652 -2.296 -2.701 1.00 24.34 H new ATOM 0 HD13 LEU A 389 -5.823 -3.490 -3.310 1.00 24.34 H new ATOM 0 HD21 LEU A 389 -4.915 -5.703 -1.361 1.00 51.40 H new ATOM 0 HD22 LEU A 389 -5.145 -6.046 -3.092 1.00 51.40 H new ATOM 0 HD23 LEU A 389 -3.581 -6.393 -2.316 1.00 51.40 H new ATOM 514 N GLY A 390 -3.628 -2.350 -6.129 1.00 11.11 N ATOM 515 CA GLY A 390 -3.979 -1.094 -6.690 1.00 2.51 C ATOM 516 C GLY A 390 -2.829 -0.454 -7.379 1.00 14.52 C ATOM 517 O GLY A 390 -1.673 -0.820 -7.138 1.00 35.10 O ATOM 0 H GLY A 390 -2.630 -2.506 -5.990 1.00 11.11 H new ATOM 0 HA2 GLY A 390 -4.797 -1.228 -7.398 1.00 2.51 H new ATOM 0 HA3 GLY A 390 -4.344 -0.434 -5.903 1.00 2.51 H new ATOM 521 N ASN A 391 -3.128 0.474 -8.229 1.00 54.11 N ATOM 522 CA ASN A 391 -2.135 1.268 -8.899 1.00 10.54 C ATOM 523 C ASN A 391 -2.130 2.620 -8.262 1.00 13.12 C ATOM 524 O ASN A 391 -3.150 3.056 -7.736 1.00 64.52 O ATOM 525 CB ASN A 391 -2.421 1.394 -10.405 1.00 51.32 C ATOM 526 CG ASN A 391 -2.237 0.091 -11.166 1.00 42.04 C ATOM 527 OD1 ASN A 391 -3.285 -0.687 -11.283 1.00 11.14 O flip ATOM 528 ND2 ASN A 391 -1.144 -0.205 -11.652 1.00 3.34 N flip ATOM 0 H ASN A 391 -4.086 0.710 -8.486 1.00 54.11 H new ATOM 0 HA ASN A 391 -1.163 0.785 -8.802 1.00 10.54 H new ATOM 0 HB2 ASN A 391 -3.443 1.747 -10.545 1.00 51.32 H new ATOM 0 HB3 ASN A 391 -1.762 2.151 -10.830 1.00 51.32 H new ATOM 0 HD21 ASN A 391 -0.349 0.425 -11.541 1.00 3.34 H new ATOM 0 HD22 ASN A 391 -1.034 -1.080 -12.165 1.00 3.34 H new ATOM 534 N PHE A 392 -1.019 3.271 -8.282 1.00 51.22 N ATOM 535 CA PHE A 392 -0.888 4.561 -7.636 1.00 60.12 C ATOM 536 C PHE A 392 -1.660 5.642 -8.370 1.00 42.53 C ATOM 537 O PHE A 392 -1.385 5.950 -9.541 1.00 64.12 O ATOM 538 CB PHE A 392 0.582 4.928 -7.446 1.00 44.42 C ATOM 539 CG PHE A 392 1.306 4.095 -6.405 1.00 0.42 C ATOM 540 CD1 PHE A 392 1.131 2.720 -6.322 1.00 10.54 C ATOM 541 CD2 PHE A 392 2.181 4.694 -5.528 1.00 5.01 C ATOM 542 CE1 PHE A 392 1.810 1.974 -5.391 1.00 34.21 C ATOM 543 CE2 PHE A 392 2.862 3.949 -4.587 1.00 45.34 C ATOM 544 CZ PHE A 392 2.676 2.590 -4.521 1.00 52.21 C ATOM 0 H PHE A 392 -0.170 2.939 -8.740 1.00 51.22 H new ATOM 0 HA PHE A 392 -1.335 4.485 -6.645 1.00 60.12 H new ATOM 0 HB2 PHE A 392 1.097 4.822 -8.401 1.00 44.42 H new ATOM 0 HB3 PHE A 392 0.648 5.979 -7.163 1.00 44.42 H new ATOM 0 HD1 PHE A 392 0.449 2.229 -7.001 1.00 10.54 H new ATOM 0 HD2 PHE A 392 2.337 5.762 -5.577 1.00 5.01 H new ATOM 0 HE1 PHE A 392 1.664 0.905 -5.343 1.00 34.21 H new ATOM 0 HE2 PHE A 392 3.541 4.435 -3.902 1.00 45.34 H new ATOM 0 HZ PHE A 392 3.210 2.006 -3.786 1.00 52.21 H new ATOM 554 N ALA A 393 -2.638 6.192 -7.691 1.00 62.41 N ATOM 555 CA ALA A 393 -3.484 7.201 -8.259 1.00 43.11 C ATOM 556 C ALA A 393 -2.991 8.575 -7.887 1.00 34.35 C ATOM 557 O ALA A 393 -2.852 9.445 -8.746 1.00 14.45 O ATOM 558 CB ALA A 393 -4.914 7.006 -7.803 1.00 53.53 C ATOM 0 H ALA A 393 -2.866 5.948 -6.727 1.00 62.41 H new ATOM 0 HA ALA A 393 -3.452 7.109 -9.345 1.00 43.11 H new ATOM 0 HB1 ALA A 393 -5.545 7.779 -8.242 1.00 53.53 H new ATOM 0 HB2 ALA A 393 -5.267 6.025 -8.122 1.00 53.53 H new ATOM 0 HB3 ALA A 393 -4.962 7.073 -6.716 1.00 53.53 H new ATOM 564 N SER A 394 -2.691 8.768 -6.626 1.00 4.24 N ATOM 565 CA SER A 394 -2.247 10.042 -6.154 1.00 61.31 C ATOM 566 C SER A 394 -1.634 9.885 -4.788 1.00 22.05 C ATOM 567 O SER A 394 -2.121 9.104 -3.954 1.00 11.03 O ATOM 568 CB SER A 394 -3.422 11.029 -6.096 1.00 11.33 C ATOM 569 OG SER A 394 -3.003 12.317 -5.671 1.00 64.11 O ATOM 0 H SER A 394 -2.750 8.047 -5.907 1.00 4.24 H new ATOM 0 HA SER A 394 -1.499 10.437 -6.842 1.00 61.31 H new ATOM 0 HB2 SER A 394 -3.885 11.103 -7.080 1.00 11.33 H new ATOM 0 HB3 SER A 394 -4.183 10.650 -5.414 1.00 11.33 H new ATOM 0 HG SER A 394 -3.775 12.921 -5.647 1.00 64.11 H new ATOM 575 N GLN A 395 -0.553 10.582 -4.573 1.00 3.30 N ATOM 576 CA GLN A 395 0.128 10.573 -3.329 1.00 65.43 C ATOM 577 C GLN A 395 0.647 11.939 -3.002 1.00 12.12 C ATOM 578 O GLN A 395 1.288 12.584 -3.828 1.00 73.32 O ATOM 579 CB GLN A 395 1.263 9.526 -3.281 1.00 12.41 C ATOM 580 CG GLN A 395 2.125 9.403 -4.548 1.00 44.13 C ATOM 581 CD GLN A 395 1.573 8.410 -5.597 1.00 32.41 C ATOM 582 OE1 GLN A 395 0.402 8.158 -5.698 1.00 54.02 O ATOM 583 NE2 GLN A 395 2.432 7.872 -6.385 1.00 63.44 N ATOM 0 H GLN A 395 -0.121 11.180 -5.277 1.00 3.30 H new ATOM 0 HA GLN A 395 -0.598 10.282 -2.570 1.00 65.43 H new ATOM 0 HB2 GLN A 395 1.917 9.768 -2.443 1.00 12.41 H new ATOM 0 HB3 GLN A 395 0.822 8.552 -3.070 1.00 12.41 H new ATOM 0 HG2 GLN A 395 2.216 10.387 -5.008 1.00 44.13 H new ATOM 0 HG3 GLN A 395 3.129 9.090 -4.262 1.00 44.13 H new ATOM 0 HE21 GLN A 395 3.423 8.095 -6.288 1.00 63.44 H new ATOM 0 HE22 GLN A 395 2.124 7.222 -7.108 1.00 63.44 H new ATOM 591 N GLU A 396 0.359 12.382 -1.821 1.00 31.23 N ATOM 592 CA GLU A 396 0.788 13.665 -1.353 1.00 23.13 C ATOM 593 C GLU A 396 1.465 13.480 -0.020 1.00 64.24 C ATOM 594 O GLU A 396 0.898 12.849 0.882 1.00 64.43 O ATOM 595 CB GLU A 396 -0.414 14.595 -1.202 1.00 43.43 C ATOM 596 CG GLU A 396 -0.077 15.993 -0.720 1.00 50.23 C ATOM 597 CD GLU A 396 -1.307 16.835 -0.537 1.00 32.01 C ATOM 598 OE1 GLU A 396 -1.884 16.827 0.562 1.00 74.13 O ATOM 599 OE2 GLU A 396 -1.728 17.503 -1.492 1.00 0.00 O ATOM 0 H GLU A 396 -0.190 11.856 -1.141 1.00 31.23 H new ATOM 0 HA GLU A 396 1.481 14.111 -2.067 1.00 23.13 H new ATOM 0 HB2 GLU A 396 -0.922 14.669 -2.164 1.00 43.43 H new ATOM 0 HB3 GLU A 396 -1.119 14.145 -0.503 1.00 43.43 H new ATOM 0 HG2 GLU A 396 0.464 15.931 0.224 1.00 50.23 H new ATOM 0 HG3 GLU A 396 0.588 16.474 -1.437 1.00 50.23 H new ATOM 606 N GLY A 397 2.662 13.986 0.099 1.00 32.41 N ATOM 607 CA GLY A 397 3.382 13.891 1.330 1.00 63.53 C ATOM 608 C GLY A 397 3.755 12.473 1.656 1.00 73.01 C ATOM 609 O GLY A 397 4.466 11.815 0.894 1.00 12.43 O ATOM 0 H GLY A 397 3.158 14.470 -0.649 1.00 32.41 H new ATOM 0 HA2 GLY A 397 4.285 14.499 1.270 1.00 63.53 H new ATOM 0 HA3 GLY A 397 2.775 14.301 2.137 1.00 63.53 H new ATOM 613 N ASN A 398 3.246 11.989 2.751 1.00 23.21 N ATOM 614 CA ASN A 398 3.568 10.661 3.223 1.00 5.11 C ATOM 615 C ASN A 398 2.322 9.774 3.239 1.00 0.45 C ATOM 616 O ASN A 398 2.288 8.728 3.889 1.00 11.34 O ATOM 617 CB ASN A 398 4.249 10.750 4.615 1.00 32.34 C ATOM 618 CG ASN A 398 3.380 11.387 5.701 1.00 73.24 C ATOM 619 OD1 ASN A 398 3.348 12.610 5.847 1.00 63.04 O ATOM 620 ND2 ASN A 398 2.744 10.578 6.497 1.00 14.32 N ATOM 0 H ASN A 398 2.595 12.499 3.347 1.00 23.21 H new ATOM 0 HA ASN A 398 4.275 10.193 2.537 1.00 5.11 H new ATOM 0 HB2 ASN A 398 4.531 9.746 4.934 1.00 32.34 H new ATOM 0 HB3 ASN A 398 5.170 11.325 4.520 1.00 32.34 H new ATOM 0 HD21 ASN A 398 2.196 10.951 7.272 1.00 14.32 H new ATOM 0 HD22 ASN A 398 2.793 9.570 6.346 1.00 14.32 H new ATOM 626 N VAL A 399 1.318 10.175 2.469 1.00 51.43 N ATOM 627 CA VAL A 399 0.070 9.430 2.357 1.00 73.44 C ATOM 628 C VAL A 399 -0.183 9.134 0.889 1.00 1.24 C ATOM 629 O VAL A 399 -0.122 10.037 0.045 1.00 51.43 O ATOM 630 CB VAL A 399 -1.138 10.216 2.945 1.00 62.32 C ATOM 631 CG1 VAL A 399 -2.431 9.419 2.805 1.00 61.01 C ATOM 632 CG2 VAL A 399 -0.891 10.577 4.404 1.00 75.41 C ATOM 0 H VAL A 399 1.346 11.025 1.905 1.00 51.43 H new ATOM 0 HA VAL A 399 0.167 8.509 2.931 1.00 73.44 H new ATOM 0 HB VAL A 399 -1.244 11.139 2.375 1.00 62.32 H new ATOM 0 HG11 VAL A 399 -3.259 9.992 3.224 1.00 61.01 H new ATOM 0 HG12 VAL A 399 -2.624 9.221 1.751 1.00 61.01 H new ATOM 0 HG13 VAL A 399 -2.336 8.474 3.340 1.00 61.01 H new ATOM 0 HG21 VAL A 399 -1.749 11.126 4.793 1.00 75.41 H new ATOM 0 HG22 VAL A 399 -0.749 9.666 4.985 1.00 75.41 H new ATOM 0 HG23 VAL A 399 0.002 11.198 4.479 1.00 75.41 H new ATOM 638 N LEU A 400 -0.443 7.886 0.581 1.00 21.33 N ATOM 639 CA LEU A 400 -0.603 7.472 -0.786 1.00 52.31 C ATOM 640 C LEU A 400 -1.938 6.729 -0.988 1.00 24.31 C ATOM 641 O LEU A 400 -2.357 5.937 -0.130 1.00 72.21 O ATOM 642 CB LEU A 400 0.569 6.552 -1.227 1.00 41.44 C ATOM 643 CG LEU A 400 2.039 7.091 -1.171 1.00 1.23 C ATOM 644 CD1 LEU A 400 2.576 7.242 0.242 1.00 12.32 C ATOM 645 CD2 LEU A 400 2.962 6.222 -1.995 1.00 71.43 C ATOM 0 H LEU A 400 -0.548 7.138 1.266 1.00 21.33 H new ATOM 0 HA LEU A 400 -0.602 8.372 -1.400 1.00 52.31 H new ATOM 0 HB2 LEU A 400 0.527 5.653 -0.612 1.00 41.44 H new ATOM 0 HB3 LEU A 400 0.373 6.244 -2.254 1.00 41.44 H new ATOM 0 HG LEU A 400 2.008 8.093 -1.598 1.00 1.23 H new ATOM 0 HD11 LEU A 400 3.598 7.619 0.204 1.00 12.32 H new ATOM 0 HD12 LEU A 400 1.951 7.942 0.796 1.00 12.32 H new ATOM 0 HD13 LEU A 400 2.565 6.273 0.741 1.00 12.32 H new ATOM 0 HD21 LEU A 400 3.977 6.616 -1.941 1.00 71.43 H new ATOM 0 HD22 LEU A 400 2.947 5.204 -1.606 1.00 71.43 H new ATOM 0 HD23 LEU A 400 2.629 6.219 -3.033 1.00 71.43 H new ATOM 653 N LYS A 401 -2.594 6.988 -2.109 1.00 52.32 N ATOM 654 CA LYS A 401 -3.850 6.330 -2.471 1.00 51.05 C ATOM 655 C LYS A 401 -3.693 5.514 -3.725 1.00 15.44 C ATOM 656 O LYS A 401 -3.255 6.024 -4.773 1.00 61.15 O ATOM 657 CB LYS A 401 -4.984 7.340 -2.638 1.00 51.20 C ATOM 658 CG LYS A 401 -5.526 7.892 -1.333 1.00 44.21 C ATOM 659 CD LYS A 401 -6.273 6.821 -0.516 1.00 74.22 C ATOM 660 CE LYS A 401 -7.532 6.327 -1.220 1.00 23.01 C ATOM 661 NZ LYS A 401 -8.327 5.411 -0.363 1.00 32.30 N ATOM 0 H LYS A 401 -2.271 7.665 -2.801 1.00 52.32 H new ATOM 0 HA LYS A 401 -4.110 5.660 -1.651 1.00 51.05 H new ATOM 0 HB2 LYS A 401 -4.629 8.169 -3.250 1.00 51.20 H new ATOM 0 HB3 LYS A 401 -5.799 6.866 -3.185 1.00 51.20 H new ATOM 0 HG2 LYS A 401 -4.704 8.292 -0.740 1.00 44.21 H new ATOM 0 HG3 LYS A 401 -6.200 8.722 -1.543 1.00 44.21 H new ATOM 0 HD2 LYS A 401 -5.607 5.977 -0.333 1.00 74.22 H new ATOM 0 HD3 LYS A 401 -6.542 7.232 0.457 1.00 74.22 H new ATOM 0 HE2 LYS A 401 -8.146 7.181 -1.505 1.00 23.01 H new ATOM 0 HE3 LYS A 401 -7.254 5.813 -2.140 1.00 23.01 H new ATOM 0 HZ1 LYS A 401 -9.182 5.112 -0.874 1.00 32.30 H new ATOM 0 HZ2 LYS A 401 -7.756 4.575 -0.125 1.00 32.30 H new ATOM 0 HZ3 LYS A 401 -8.600 5.903 0.511 1.00 32.30 H new ATOM 675 N TYR A 402 -4.031 4.256 -3.629 1.00 33.20 N ATOM 676 CA TYR A 402 -3.903 3.355 -4.760 1.00 33.45 C ATOM 677 C TYR A 402 -5.274 2.829 -5.131 1.00 22.01 C ATOM 678 O TYR A 402 -6.047 2.484 -4.248 1.00 21.43 O ATOM 679 CB TYR A 402 -3.015 2.161 -4.403 1.00 12.02 C ATOM 680 CG TYR A 402 -1.871 2.484 -3.486 1.00 10.12 C ATOM 681 CD1 TYR A 402 -0.951 3.446 -3.799 1.00 73.32 C ATOM 682 CD2 TYR A 402 -1.728 1.816 -2.286 1.00 32.45 C ATOM 683 CE1 TYR A 402 0.082 3.730 -2.958 1.00 41.52 C ATOM 684 CE2 TYR A 402 -0.687 2.097 -1.441 1.00 50.13 C ATOM 685 CZ TYR A 402 0.214 3.052 -1.784 1.00 1.14 C ATOM 686 OH TYR A 402 1.271 3.325 -0.953 1.00 0.43 O ATOM 0 H TYR A 402 -4.398 3.824 -2.781 1.00 33.20 H new ATOM 0 HA TYR A 402 -3.456 3.903 -5.590 1.00 33.45 H new ATOM 0 HB2 TYR A 402 -3.632 1.393 -3.936 1.00 12.02 H new ATOM 0 HB3 TYR A 402 -2.616 1.734 -5.323 1.00 12.02 H new ATOM 0 HD1 TYR A 402 -1.045 3.989 -4.728 1.00 73.32 H new ATOM 0 HD2 TYR A 402 -2.448 1.060 -2.009 1.00 32.45 H new ATOM 0 HE1 TYR A 402 0.798 4.494 -3.222 1.00 41.52 H new ATOM 0 HE2 TYR A 402 -0.584 1.562 -0.508 1.00 50.13 H new ATOM 0 HH TYR A 402 2.101 3.001 -1.362 1.00 0.43 H new ATOM 696 N GLU A 403 -5.576 2.790 -6.404 1.00 12.22 N ATOM 697 CA GLU A 403 -6.843 2.268 -6.895 1.00 63.44 C ATOM 698 C GLU A 403 -6.666 1.630 -8.257 1.00 22.12 C ATOM 699 O GLU A 403 -5.553 1.600 -8.782 1.00 53.11 O ATOM 700 CB GLU A 403 -7.970 3.313 -6.890 1.00 42.42 C ATOM 701 CG GLU A 403 -7.739 4.536 -7.747 1.00 4.11 C ATOM 702 CD GLU A 403 -8.912 5.480 -7.683 1.00 33.45 C ATOM 703 OE1 GLU A 403 -9.896 5.281 -8.438 1.00 1.42 O ATOM 704 OE2 GLU A 403 -8.885 6.425 -6.861 1.00 74.53 O ATOM 0 H GLU A 403 -4.951 3.120 -7.140 1.00 12.22 H new ATOM 0 HA GLU A 403 -7.161 1.495 -6.195 1.00 63.44 H new ATOM 0 HB2 GLU A 403 -8.889 2.829 -7.221 1.00 42.42 H new ATOM 0 HB3 GLU A 403 -8.133 3.638 -5.863 1.00 42.42 H new ATOM 0 HG2 GLU A 403 -6.837 5.050 -7.415 1.00 4.11 H new ATOM 0 HG3 GLU A 403 -7.570 4.232 -8.780 1.00 4.11 H new ATOM 711 N ASN A 404 -7.749 1.076 -8.800 1.00 12.43 N ATOM 712 CA ASN A 404 -7.760 0.484 -10.159 1.00 34.22 C ATOM 713 C ASN A 404 -6.880 -0.762 -10.239 1.00 23.34 C ATOM 714 O ASN A 404 -6.300 -1.046 -11.285 1.00 15.42 O ATOM 715 CB ASN A 404 -7.261 1.513 -11.216 1.00 51.21 C ATOM 716 CG ASN A 404 -8.065 2.805 -11.294 1.00 24.11 C ATOM 717 OD1 ASN A 404 -7.520 3.857 -11.598 1.00 3.22 O ATOM 718 ND2 ASN A 404 -9.347 2.744 -11.056 1.00 24.11 N ATOM 0 H ASN A 404 -8.647 1.019 -8.320 1.00 12.43 H new ATOM 0 HA ASN A 404 -8.792 0.205 -10.371 1.00 34.22 H new ATOM 0 HB2 ASN A 404 -6.223 1.763 -10.995 1.00 51.21 H new ATOM 0 HB3 ASN A 404 -7.272 1.037 -12.197 1.00 51.21 H new ATOM 0 HD21 ASN A 404 -9.919 3.586 -11.122 1.00 24.11 H new ATOM 0 HD22 ASN A 404 -9.777 1.854 -10.804 1.00 24.11 H new ATOM 724 N GLY A 405 -6.812 -1.520 -9.155 1.00 54.23 N ATOM 725 CA GLY A 405 -6.038 -2.759 -9.166 1.00 31.34 C ATOM 726 C GLY A 405 -6.756 -3.910 -9.885 1.00 64.10 C ATOM 727 O GLY A 405 -7.247 -3.752 -11.008 1.00 2.21 O ATOM 0 H GLY A 405 -7.273 -1.308 -8.270 1.00 54.23 H new ATOM 0 HA2 GLY A 405 -5.079 -2.577 -9.651 1.00 31.34 H new ATOM 0 HA3 GLY A 405 -5.825 -3.056 -8.139 1.00 31.34 H new ATOM 731 N GLN A 406 -6.821 -5.054 -9.242 1.00 1.44 N ATOM 732 CA GLN A 406 -7.480 -6.231 -9.806 1.00 45.02 C ATOM 733 C GLN A 406 -8.983 -6.045 -9.561 1.00 33.35 C ATOM 734 O GLN A 406 -9.367 -5.405 -8.578 1.00 12.00 O ATOM 735 CB GLN A 406 -6.884 -7.506 -9.118 1.00 44.11 C ATOM 736 CG GLN A 406 -7.137 -8.890 -9.765 1.00 43.42 C ATOM 737 CD GLN A 406 -8.526 -9.456 -9.588 1.00 2.34 C ATOM 738 OE1 GLN A 406 -9.407 -9.241 -10.399 1.00 23.01 O ATOM 739 NE2 GLN A 406 -8.719 -10.196 -8.527 1.00 65.23 N ATOM 0 H GLN A 406 -6.422 -5.204 -8.315 1.00 1.44 H new ATOM 0 HA GLN A 406 -7.318 -6.353 -10.877 1.00 45.02 H new ATOM 0 HB2 GLN A 406 -5.805 -7.368 -9.045 1.00 44.11 H new ATOM 0 HB3 GLN A 406 -7.270 -7.542 -8.099 1.00 44.11 H new ATOM 0 HG2 GLN A 406 -6.930 -8.814 -10.832 1.00 43.42 H new ATOM 0 HG3 GLN A 406 -6.421 -9.600 -9.351 1.00 43.42 H new ATOM 0 HE21 GLN A 406 -7.955 -10.354 -7.869 1.00 65.23 H new ATOM 0 HE22 GLN A 406 -9.633 -10.616 -8.357 1.00 65.23 H new ATOM 747 N SER A 407 -9.805 -6.538 -10.455 1.00 22.52 N ATOM 748 CA SER A 407 -11.240 -6.337 -10.393 1.00 14.21 C ATOM 749 C SER A 407 -11.864 -6.900 -9.111 1.00 41.03 C ATOM 750 O SER A 407 -11.515 -7.989 -8.639 1.00 22.42 O ATOM 751 CB SER A 407 -11.907 -6.936 -11.627 1.00 34.31 C ATOM 752 OG SER A 407 -11.390 -6.341 -12.811 1.00 12.10 O ATOM 0 H SER A 407 -9.499 -7.094 -11.253 1.00 22.52 H new ATOM 0 HA SER A 407 -11.414 -5.261 -10.374 1.00 14.21 H new ATOM 0 HB2 SER A 407 -11.740 -8.013 -11.651 1.00 34.31 H new ATOM 0 HB3 SER A 407 -12.985 -6.782 -11.576 1.00 34.31 H new ATOM 0 HG SER A 407 -11.827 -6.737 -13.594 1.00 12.10 H new ATOM 758 N CYS A 408 -12.765 -6.134 -8.559 1.00 72.30 N ATOM 759 CA CYS A 408 -13.481 -6.489 -7.364 1.00 24.25 C ATOM 760 C CYS A 408 -14.898 -6.814 -7.816 1.00 13.21 C ATOM 761 O CYS A 408 -15.295 -6.358 -8.889 1.00 42.42 O ATOM 762 CB CYS A 408 -13.453 -5.293 -6.399 1.00 73.03 C ATOM 763 SG CYS A 408 -14.186 -5.591 -4.769 1.00 64.22 S ATOM 0 H CYS A 408 -13.028 -5.224 -8.937 1.00 72.30 H new ATOM 0 HA CYS A 408 -13.046 -7.340 -6.839 1.00 24.25 H new ATOM 0 HB2 CYS A 408 -12.417 -4.983 -6.261 1.00 73.03 H new ATOM 0 HB3 CYS A 408 -13.976 -4.459 -6.866 1.00 73.03 H new ATOM 768 N TRP A 409 -15.666 -7.579 -7.050 1.00 2.43 N ATOM 769 CA TRP A 409 -16.958 -8.018 -7.564 1.00 3.22 C ATOM 770 C TRP A 409 -18.021 -6.884 -7.521 1.00 23.21 C ATOM 771 O TRP A 409 -18.654 -6.590 -8.530 1.00 53.32 O ATOM 772 CB TRP A 409 -17.469 -9.334 -6.866 1.00 64.02 C ATOM 773 CG TRP A 409 -18.250 -9.125 -5.623 1.00 63.10 C ATOM 774 CD1 TRP A 409 -17.805 -9.126 -4.355 1.00 61.32 C ATOM 775 CD2 TRP A 409 -19.646 -8.863 -5.570 1.00 70.52 C ATOM 776 NE1 TRP A 409 -18.845 -8.847 -3.497 1.00 24.13 N ATOM 777 CE2 TRP A 409 -19.990 -8.687 -4.238 1.00 65.32 C ATOM 778 CE3 TRP A 409 -20.630 -8.750 -6.549 1.00 11.40 C ATOM 779 CZ2 TRP A 409 -21.284 -8.396 -3.850 1.00 63.15 C ATOM 780 CZ3 TRP A 409 -21.914 -8.468 -6.165 1.00 32.25 C ATOM 781 CH2 TRP A 409 -22.230 -8.289 -4.823 1.00 73.11 C ATOM 0 H TRP A 409 -15.432 -7.898 -6.110 1.00 2.43 H new ATOM 0 HA TRP A 409 -16.802 -8.266 -8.614 1.00 3.22 H new ATOM 0 HB2 TRP A 409 -18.085 -9.887 -7.575 1.00 64.02 H new ATOM 0 HB3 TRP A 409 -16.608 -9.962 -6.635 1.00 64.02 H new ATOM 0 HD1 TRP A 409 -16.785 -9.317 -4.054 1.00 61.32 H new ATOM 0 HE1 TRP A 409 -18.777 -8.772 -2.482 1.00 24.13 H new ATOM 0 HE3 TRP A 409 -20.385 -8.882 -7.592 1.00 11.40 H new ATOM 0 HZ2 TRP A 409 -21.536 -8.258 -2.809 1.00 63.15 H new ATOM 0 HZ3 TRP A 409 -22.689 -8.384 -6.912 1.00 32.25 H new ATOM 0 HH2 TRP A 409 -23.249 -8.060 -4.546 1.00 73.11 H new ATOM 792 N ASN A 410 -18.193 -6.232 -6.361 1.00 52.21 N ATOM 793 CA ASN A 410 -19.264 -5.237 -6.213 1.00 14.33 C ATOM 794 C ASN A 410 -18.762 -3.845 -6.534 1.00 42.21 C ATOM 795 O ASN A 410 -19.523 -2.878 -6.543 1.00 63.52 O ATOM 796 CB ASN A 410 -19.887 -5.264 -4.806 1.00 43.01 C ATOM 797 CG ASN A 410 -18.938 -4.879 -3.722 1.00 52.12 C ATOM 798 OD1 ASN A 410 -18.824 -3.713 -3.387 1.00 3.12 O ATOM 799 ND2 ASN A 410 -18.267 -5.858 -3.148 1.00 32.04 N ATOM 0 H ASN A 410 -17.618 -6.371 -5.530 1.00 52.21 H new ATOM 0 HA ASN A 410 -20.043 -5.504 -6.927 1.00 14.33 H new ATOM 0 HB2 ASN A 410 -20.743 -4.589 -4.784 1.00 43.01 H new ATOM 0 HB3 ASN A 410 -20.266 -6.266 -4.606 1.00 43.01 H new ATOM 0 HD21 ASN A 410 -17.618 -5.654 -2.388 1.00 32.04 H new ATOM 0 HD22 ASN A 410 -18.397 -6.819 -3.464 1.00 32.04 H new ATOM 805 N GLY A 411 -17.479 -3.758 -6.799 1.00 50.45 N ATOM 806 CA GLY A 411 -16.851 -2.508 -7.141 1.00 54.44 C ATOM 807 C GLY A 411 -16.145 -2.662 -8.456 1.00 12.15 C ATOM 808 O GLY A 411 -16.268 -3.712 -9.078 1.00 13.45 O ATOM 0 H GLY A 411 -16.842 -4.555 -6.783 1.00 50.45 H new ATOM 0 HA2 GLY A 411 -17.597 -1.716 -7.204 1.00 54.44 H new ATOM 0 HA3 GLY A 411 -16.143 -2.217 -6.365 1.00 54.44 H new ATOM 812 N PRO A 412 -15.395 -1.675 -8.933 1.00 61.43 N ATOM 813 CA PRO A 412 -14.731 -1.803 -10.212 1.00 61.45 C ATOM 814 C PRO A 412 -13.386 -2.538 -10.103 1.00 42.20 C ATOM 815 O PRO A 412 -13.080 -3.411 -10.909 1.00 31.40 O ATOM 816 CB PRO A 412 -14.508 -0.342 -10.650 1.00 23.21 C ATOM 817 CG PRO A 412 -14.941 0.527 -9.489 1.00 3.00 C ATOM 818 CD PRO A 412 -15.161 -0.377 -8.306 1.00 30.13 C ATOM 0 HA PRO A 412 -15.321 -2.389 -10.917 1.00 61.45 H new ATOM 0 HB2 PRO A 412 -13.461 -0.167 -10.896 1.00 23.21 H new ATOM 0 HB3 PRO A 412 -15.088 -0.112 -11.544 1.00 23.21 H new ATOM 0 HG2 PRO A 412 -14.180 1.274 -9.264 1.00 3.00 H new ATOM 0 HG3 PRO A 412 -15.855 1.067 -9.734 1.00 3.00 H new ATOM 0 HD2 PRO A 412 -14.295 -0.397 -7.645 1.00 30.13 H new ATOM 0 HD3 PRO A 412 -16.013 -0.058 -7.705 1.00 30.13 H new ATOM 826 N HIS A 413 -12.618 -2.231 -9.067 1.00 41.33 N ATOM 827 CA HIS A 413 -11.305 -2.839 -8.828 1.00 44.10 C ATOM 828 C HIS A 413 -10.942 -2.630 -7.383 1.00 51.24 C ATOM 829 O HIS A 413 -11.634 -1.889 -6.670 1.00 13.23 O ATOM 830 CB HIS A 413 -10.168 -2.198 -9.687 1.00 0.43 C ATOM 831 CG HIS A 413 -10.316 -2.297 -11.176 1.00 5.52 C ATOM 832 ND1 HIS A 413 -9.936 -3.397 -11.901 1.00 73.25 N ATOM 833 CD2 HIS A 413 -10.826 -1.427 -12.073 1.00 12.33 C ATOM 834 CE1 HIS A 413 -10.209 -3.205 -13.158 1.00 11.13 C ATOM 835 NE2 HIS A 413 -10.749 -2.016 -13.297 1.00 74.03 N ATOM 0 H HIS A 413 -12.886 -1.547 -8.359 1.00 41.33 H new ATOM 0 HA HIS A 413 -11.385 -3.892 -9.099 1.00 44.10 H new ATOM 0 HB2 HIS A 413 -10.093 -1.144 -9.421 1.00 0.43 H new ATOM 0 HB3 HIS A 413 -9.224 -2.665 -9.406 1.00 0.43 H new ATOM 0 HD1 HIS A 413 -9.505 -4.237 -11.514 1.00 73.25 H new ATOM 0 HD2 HIS A 413 -11.222 -0.445 -11.859 1.00 12.33 H new ATOM 0 HE1 HIS A 413 -10.022 -3.908 -13.956 1.00 11.13 H new ATOM 844 N ARG A 414 -9.886 -3.273 -6.950 1.00 25.54 N ATOM 845 CA ARG A 414 -9.368 -3.066 -5.620 1.00 12.10 C ATOM 846 C ARG A 414 -8.605 -1.776 -5.521 1.00 24.44 C ATOM 847 O ARG A 414 -8.230 -1.163 -6.545 1.00 12.33 O ATOM 848 CB ARG A 414 -8.507 -4.222 -5.149 1.00 35.03 C ATOM 849 CG ARG A 414 -9.280 -5.466 -4.804 1.00 3.14 C ATOM 850 CD ARG A 414 -8.346 -6.609 -4.454 1.00 31.44 C ATOM 851 NE ARG A 414 -9.073 -7.832 -4.144 1.00 33.34 N ATOM 852 CZ ARG A 414 -8.603 -8.855 -3.430 1.00 11.51 C ATOM 853 NH1 ARG A 414 -7.376 -8.818 -2.901 1.00 45.44 N ATOM 854 NH2 ARG A 414 -9.367 -9.912 -3.230 1.00 45.42 N ATOM 0 H ARG A 414 -9.364 -3.951 -7.505 1.00 25.54 H new ATOM 0 HA ARG A 414 -10.234 -3.009 -4.961 1.00 12.10 H new ATOM 0 HB2 ARG A 414 -7.783 -4.462 -5.928 1.00 35.03 H new ATOM 0 HB3 ARG A 414 -7.940 -3.905 -4.273 1.00 35.03 H new ATOM 0 HG2 ARG A 414 -9.944 -5.264 -3.963 1.00 3.14 H new ATOM 0 HG3 ARG A 414 -9.910 -5.752 -5.646 1.00 3.14 H new ATOM 0 HD2 ARG A 414 -7.668 -6.792 -5.288 1.00 31.44 H new ATOM 0 HD3 ARG A 414 -7.731 -6.326 -3.600 1.00 31.44 H new ATOM 0 HE ARG A 414 -10.024 -7.913 -4.504 1.00 33.34 H new ATOM 0 HH11 ARG A 414 -6.785 -7.999 -3.041 1.00 45.44 H new ATOM 0 HH12 ARG A 414 -7.031 -9.609 -2.357 1.00 45.44 H new ATOM 0 HH21 ARG A 414 -10.309 -9.942 -3.620 1.00 45.42 H new ATOM 0 HH22 ARG A 414 -9.016 -10.699 -2.685 1.00 45.42 H new ATOM 866 N SER A 415 -8.375 -1.378 -4.309 1.00 61.33 N ATOM 867 CA SER A 415 -7.728 -0.165 -3.991 1.00 4.24 C ATOM 868 C SER A 415 -7.226 -0.225 -2.547 1.00 2.33 C ATOM 869 O SER A 415 -7.643 -1.103 -1.784 1.00 3.41 O ATOM 870 CB SER A 415 -8.717 0.994 -4.201 1.00 72.24 C ATOM 871 OG SER A 415 -9.954 0.742 -3.530 1.00 1.44 O ATOM 0 H SER A 415 -8.648 -1.919 -3.488 1.00 61.33 H new ATOM 0 HA SER A 415 -6.867 -0.003 -4.639 1.00 4.24 H new ATOM 0 HB2 SER A 415 -8.280 1.921 -3.829 1.00 72.24 H new ATOM 0 HB3 SER A 415 -8.899 1.132 -5.267 1.00 72.24 H new ATOM 0 HG SER A 415 -9.991 -0.197 -3.253 1.00 1.44 H new ATOM 877 N ALA A 416 -6.351 0.685 -2.178 1.00 12.53 N ATOM 878 CA ALA A 416 -5.796 0.720 -0.853 1.00 44.12 C ATOM 879 C ALA A 416 -5.244 2.082 -0.549 1.00 72.10 C ATOM 880 O ALA A 416 -4.856 2.830 -1.443 1.00 43.40 O ATOM 881 CB ALA A 416 -4.698 -0.324 -0.698 1.00 63.42 C ATOM 0 H ALA A 416 -6.007 1.421 -2.794 1.00 12.53 H new ATOM 0 HA ALA A 416 -6.597 0.495 -0.149 1.00 44.12 H new ATOM 0 HB1 ALA A 416 -4.293 -0.279 0.313 1.00 63.42 H new ATOM 0 HB2 ALA A 416 -5.111 -1.316 -0.879 1.00 63.42 H new ATOM 0 HB3 ALA A 416 -3.903 -0.125 -1.417 1.00 63.42 H new ATOM 887 N ILE A 417 -5.262 2.417 0.686 1.00 34.33 N ATOM 888 CA ILE A 417 -4.657 3.616 1.168 1.00 74.43 C ATOM 889 C ILE A 417 -3.493 3.255 2.079 1.00 12.11 C ATOM 890 O ILE A 417 -3.623 2.401 2.947 1.00 3.12 O ATOM 891 CB ILE A 417 -5.666 4.542 1.926 1.00 11.52 C ATOM 892 CG1 ILE A 417 -4.940 5.799 2.430 1.00 33.55 C ATOM 893 CG2 ILE A 417 -6.382 3.810 3.062 1.00 42.53 C ATOM 894 CD1 ILE A 417 -5.811 6.769 3.210 1.00 1.53 C ATOM 0 H ILE A 417 -5.707 1.857 1.413 1.00 34.33 H new ATOM 0 HA ILE A 417 -4.305 4.180 0.304 1.00 74.43 H new ATOM 0 HB ILE A 417 -6.443 4.844 1.224 1.00 11.52 H new ATOM 0 HG12 ILE A 417 -4.107 5.491 3.062 1.00 33.55 H new ATOM 0 HG13 ILE A 417 -4.514 6.323 1.574 1.00 33.55 H new ATOM 0 HG21 ILE A 417 -7.071 4.494 3.558 1.00 42.53 H new ATOM 0 HG22 ILE A 417 -6.938 2.965 2.657 1.00 42.53 H new ATOM 0 HG23 ILE A 417 -5.648 3.449 3.782 1.00 42.53 H new ATOM 0 HD11 ILE A 417 -5.212 7.624 3.524 1.00 1.53 H new ATOM 0 HD12 ILE A 417 -6.630 7.112 2.578 1.00 1.53 H new ATOM 0 HD13 ILE A 417 -6.217 6.268 4.089 1.00 1.53 H new ATOM 901 N VAL A 418 -2.378 3.873 1.852 1.00 50.14 N ATOM 902 CA VAL A 418 -1.209 3.669 2.660 1.00 22.15 C ATOM 903 C VAL A 418 -0.768 4.956 3.304 1.00 44.24 C ATOM 904 O VAL A 418 -0.580 5.983 2.632 1.00 33.24 O ATOM 905 CB VAL A 418 -0.031 3.014 1.867 1.00 0.33 C ATOM 906 CG1 VAL A 418 1.298 3.290 2.529 1.00 1.54 C ATOM 907 CG2 VAL A 418 -0.208 1.515 1.808 1.00 73.33 C ATOM 0 H VAL A 418 -2.248 4.542 1.093 1.00 50.14 H new ATOM 0 HA VAL A 418 -1.492 2.964 3.442 1.00 22.15 H new ATOM 0 HB VAL A 418 -0.042 3.445 0.866 1.00 0.33 H new ATOM 0 HG11 VAL A 418 2.096 2.821 1.953 1.00 1.54 H new ATOM 0 HG12 VAL A 418 1.466 4.366 2.573 1.00 1.54 H new ATOM 0 HG13 VAL A 418 1.293 2.882 3.540 1.00 1.54 H new ATOM 0 HG21 VAL A 418 0.619 1.073 1.253 1.00 73.33 H new ATOM 0 HG22 VAL A 418 -0.224 1.110 2.820 1.00 73.33 H new ATOM 0 HG23 VAL A 418 -1.148 1.279 1.308 1.00 73.33 H new ATOM 913 N THR A 419 -0.640 4.910 4.589 1.00 61.05 N ATOM 914 CA THR A 419 -0.131 5.997 5.330 1.00 73.24 C ATOM 915 C THR A 419 1.246 5.633 5.857 1.00 31.03 C ATOM 916 O THR A 419 1.392 4.708 6.669 1.00 11.13 O ATOM 917 CB THR A 419 -1.094 6.381 6.474 1.00 32.14 C ATOM 918 OG1 THR A 419 -1.484 5.206 7.219 1.00 61.34 O ATOM 919 CG2 THR A 419 -2.328 7.087 5.931 1.00 11.30 C ATOM 0 H THR A 419 -0.892 4.100 5.155 1.00 61.05 H new ATOM 0 HA THR A 419 -0.042 6.871 4.684 1.00 73.24 H new ATOM 0 HB THR A 419 -0.570 7.066 7.141 1.00 32.14 H new ATOM 0 HG1 THR A 419 -0.758 4.548 7.196 1.00 61.34 H new ATOM 0 HG21 THR A 419 -2.991 7.347 6.756 1.00 11.30 H new ATOM 0 HG22 THR A 419 -2.027 7.994 5.407 1.00 11.30 H new ATOM 0 HG23 THR A 419 -2.851 6.426 5.240 1.00 11.30 H new ATOM 925 N VAL A 420 2.253 6.327 5.387 1.00 41.32 N ATOM 926 CA VAL A 420 3.598 6.038 5.775 1.00 25.33 C ATOM 927 C VAL A 420 4.012 7.037 6.830 1.00 42.04 C ATOM 928 O VAL A 420 4.115 8.217 6.554 1.00 25.05 O ATOM 929 CB VAL A 420 4.565 6.162 4.567 1.00 4.34 C ATOM 930 CG1 VAL A 420 5.954 5.728 4.944 1.00 61.14 C ATOM 931 CG2 VAL A 420 4.069 5.379 3.362 1.00 52.54 C ATOM 0 H VAL A 420 2.158 7.101 4.730 1.00 41.32 H new ATOM 0 HA VAL A 420 3.646 5.018 6.155 1.00 25.33 H new ATOM 0 HB VAL A 420 4.595 7.215 4.285 1.00 4.34 H new ATOM 0 HG11 VAL A 420 6.612 5.824 4.081 1.00 61.14 H new ATOM 0 HG12 VAL A 420 6.324 6.356 5.754 1.00 61.14 H new ATOM 0 HG13 VAL A 420 5.934 4.688 5.271 1.00 61.14 H new ATOM 0 HG21 VAL A 420 4.774 5.492 2.539 1.00 52.54 H new ATOM 0 HG22 VAL A 420 3.983 4.324 3.624 1.00 52.54 H new ATOM 0 HG23 VAL A 420 3.093 5.758 3.058 1.00 52.54 H new ATOM 937 N GLU A 421 4.209 6.570 8.028 1.00 5.53 N ATOM 938 CA GLU A 421 4.584 7.441 9.120 1.00 2.55 C ATOM 939 C GLU A 421 6.019 7.177 9.545 1.00 54.34 C ATOM 940 O GLU A 421 6.724 6.409 8.907 1.00 1.21 O ATOM 941 CB GLU A 421 3.626 7.260 10.301 1.00 62.00 C ATOM 942 CG GLU A 421 2.180 7.568 9.959 1.00 13.24 C ATOM 943 CD GLU A 421 1.254 7.427 11.141 1.00 15.40 C ATOM 944 OE1 GLU A 421 1.114 8.387 11.920 1.00 70.24 O ATOM 945 OE2 GLU A 421 0.641 6.355 11.302 1.00 60.23 O ATOM 0 H GLU A 421 4.117 5.586 8.282 1.00 5.53 H new ATOM 0 HA GLU A 421 4.515 8.474 8.778 1.00 2.55 H new ATOM 0 HB2 GLU A 421 3.695 6.234 10.661 1.00 62.00 H new ATOM 0 HB3 GLU A 421 3.944 7.907 11.119 1.00 62.00 H new ATOM 0 HG2 GLU A 421 2.112 8.584 9.570 1.00 13.24 H new ATOM 0 HG3 GLU A 421 1.850 6.900 9.164 1.00 13.24 H new ATOM 952 N CYS A 422 6.436 7.828 10.596 1.00 33.22 N ATOM 953 CA CYS A 422 7.775 7.700 11.142 1.00 1.22 C ATOM 954 C CYS A 422 8.098 6.261 11.504 1.00 71.35 C ATOM 955 O CYS A 422 7.358 5.609 12.241 1.00 24.23 O ATOM 956 CB CYS A 422 7.882 8.564 12.393 1.00 72.20 C ATOM 957 SG CYS A 422 9.442 8.375 13.345 1.00 73.13 S ATOM 0 H CYS A 422 5.847 8.479 11.114 1.00 33.22 H new ATOM 0 HA CYS A 422 8.486 8.025 10.383 1.00 1.22 H new ATOM 0 HB2 CYS A 422 7.777 9.609 12.103 1.00 72.20 H new ATOM 0 HB3 CYS A 422 7.044 8.330 13.050 1.00 72.20 H new ATOM 962 N GLY A 423 9.212 5.786 11.019 1.00 65.40 N ATOM 963 CA GLY A 423 9.609 4.445 11.299 1.00 72.15 C ATOM 964 C GLY A 423 11.074 4.274 11.200 1.00 15.31 C ATOM 965 O GLY A 423 11.799 5.235 10.948 1.00 31.10 O ATOM 0 H GLY A 423 9.857 6.312 10.429 1.00 65.40 H new ATOM 0 HA2 GLY A 423 9.278 4.169 12.300 1.00 72.15 H new ATOM 0 HA3 GLY A 423 9.116 3.767 10.602 1.00 72.15 H new ATOM 969 N VAL A 424 11.512 3.068 11.394 1.00 60.11 N ATOM 970 CA VAL A 424 12.898 2.732 11.302 1.00 53.53 C ATOM 971 C VAL A 424 13.222 2.397 9.854 1.00 4.44 C ATOM 972 O VAL A 424 14.287 2.729 9.348 1.00 75.13 O ATOM 973 CB VAL A 424 13.239 1.508 12.204 1.00 51.40 C ATOM 974 CG1 VAL A 424 14.725 1.172 12.145 1.00 2.43 C ATOM 975 CG2 VAL A 424 12.802 1.755 13.642 1.00 14.03 C ATOM 0 H VAL A 424 10.908 2.279 11.624 1.00 60.11 H new ATOM 0 HA VAL A 424 13.491 3.581 11.642 1.00 53.53 H new ATOM 0 HB VAL A 424 12.686 0.651 11.819 1.00 51.40 H new ATOM 0 HG11 VAL A 424 14.930 0.314 12.785 1.00 2.43 H new ATOM 0 HG12 VAL A 424 15.004 0.934 11.119 1.00 2.43 H new ATOM 0 HG13 VAL A 424 15.306 2.028 12.489 1.00 2.43 H new ATOM 0 HG21 VAL A 424 13.051 0.887 14.252 1.00 14.03 H new ATOM 0 HG22 VAL A 424 13.317 2.633 14.033 1.00 14.03 H new ATOM 0 HG23 VAL A 424 11.725 1.923 13.671 1.00 14.03 H new ATOM 981 N GLU A 425 12.277 1.767 9.182 1.00 0.45 N ATOM 982 CA GLU A 425 12.466 1.346 7.814 1.00 11.20 C ATOM 983 C GLU A 425 11.103 1.179 7.167 1.00 13.12 C ATOM 984 O GLU A 425 10.092 1.104 7.876 1.00 1.13 O ATOM 985 CB GLU A 425 13.200 -0.001 7.805 1.00 62.52 C ATOM 986 CG GLU A 425 13.603 -0.498 6.431 1.00 74.04 C ATOM 987 CD GLU A 425 14.206 -1.872 6.480 1.00 40.05 C ATOM 988 OE1 GLU A 425 15.251 -2.047 7.138 1.00 12.31 O ATOM 989 OE2 GLU A 425 13.630 -2.809 5.897 1.00 32.24 O ATOM 0 H GLU A 425 11.363 1.535 9.570 1.00 0.45 H new ATOM 0 HA GLU A 425 13.050 2.086 7.267 1.00 11.20 H new ATOM 0 HB2 GLU A 425 14.095 0.085 8.421 1.00 62.52 H new ATOM 0 HB3 GLU A 425 12.561 -0.750 8.273 1.00 62.52 H new ATOM 0 HG2 GLU A 425 12.729 -0.510 5.780 1.00 74.04 H new ATOM 0 HG3 GLU A 425 14.319 0.196 5.991 1.00 74.04 H new ATOM 996 N ASN A 426 11.070 1.155 5.841 1.00 33.02 N ATOM 997 CA ASN A 426 9.851 0.862 5.098 1.00 11.41 C ATOM 998 C ASN A 426 9.337 -0.531 5.405 1.00 53.41 C ATOM 999 O ASN A 426 9.885 -1.539 4.941 1.00 52.42 O ATOM 1000 CB ASN A 426 10.035 1.062 3.584 1.00 55.21 C ATOM 1001 CG ASN A 426 9.885 2.504 3.131 1.00 63.41 C ATOM 1002 OD1 ASN A 426 10.558 2.957 2.219 1.00 11.41 O ATOM 1003 ND2 ASN A 426 8.952 3.208 3.712 1.00 45.31 N ATOM 0 H ASN A 426 11.883 1.337 5.252 1.00 33.02 H new ATOM 0 HA ASN A 426 9.099 1.578 5.429 1.00 11.41 H new ATOM 0 HB2 ASN A 426 11.023 0.702 3.297 1.00 55.21 H new ATOM 0 HB3 ASN A 426 9.306 0.448 3.055 1.00 55.21 H new ATOM 0 HD21 ASN A 426 8.769 4.164 3.406 1.00 45.31 H new ATOM 0 HD22 ASN A 426 8.406 2.802 4.472 1.00 45.31 H new ATOM 1009 N GLU A 427 8.327 -0.575 6.225 1.00 63.42 N ATOM 1010 CA GLU A 427 7.700 -1.806 6.622 1.00 61.11 C ATOM 1011 C GLU A 427 6.188 -1.679 6.486 1.00 13.24 C ATOM 1012 O GLU A 427 5.641 -0.574 6.641 1.00 63.31 O ATOM 1013 CB GLU A 427 8.079 -2.140 8.084 1.00 40.13 C ATOM 1014 CG GLU A 427 7.466 -3.432 8.614 1.00 22.10 C ATOM 1015 CD GLU A 427 7.908 -4.645 7.837 1.00 22.12 C ATOM 1016 OE1 GLU A 427 7.531 -4.775 6.660 1.00 11.22 O ATOM 1017 OE2 GLU A 427 8.670 -5.466 8.388 1.00 71.23 O ATOM 0 H GLU A 427 7.908 0.255 6.644 1.00 63.42 H new ATOM 0 HA GLU A 427 8.047 -2.613 5.976 1.00 61.11 H new ATOM 0 HB2 GLU A 427 9.164 -2.210 8.158 1.00 40.13 H new ATOM 0 HB3 GLU A 427 7.768 -1.315 8.725 1.00 40.13 H new ATOM 0 HG2 GLU A 427 7.740 -3.557 9.662 1.00 22.10 H new ATOM 0 HG3 GLU A 427 6.379 -3.357 8.575 1.00 22.10 H new ATOM 1024 N ILE A 428 5.523 -2.784 6.174 1.00 51.55 N ATOM 1025 CA ILE A 428 4.073 -2.806 6.119 1.00 72.31 C ATOM 1026 C ILE A 428 3.613 -3.156 7.511 1.00 22.21 C ATOM 1027 O ILE A 428 3.869 -4.266 8.007 1.00 44.54 O ATOM 1028 CB ILE A 428 3.510 -3.890 5.170 1.00 34.54 C ATOM 1029 CG1 ILE A 428 4.184 -3.859 3.795 1.00 44.35 C ATOM 1030 CG2 ILE A 428 2.007 -3.668 5.010 1.00 3.31 C ATOM 1031 CD1 ILE A 428 3.952 -2.585 3.026 1.00 22.31 C ATOM 0 H ILE A 428 5.968 -3.675 5.956 1.00 51.55 H new ATOM 0 HA ILE A 428 3.726 -1.840 5.753 1.00 72.31 H new ATOM 0 HB ILE A 428 3.713 -4.867 5.609 1.00 34.54 H new ATOM 0 HG12 ILE A 428 5.257 -4.002 3.925 1.00 44.35 H new ATOM 0 HG13 ILE A 428 3.819 -4.699 3.204 1.00 44.35 H new ATOM 0 HG21 ILE A 428 1.596 -4.426 4.343 1.00 3.31 H new ATOM 0 HG22 ILE A 428 1.523 -3.741 5.984 1.00 3.31 H new ATOM 0 HG23 ILE A 428 1.828 -2.679 4.589 1.00 3.31 H new ATOM 0 HD11 ILE A 428 4.462 -2.643 2.064 1.00 22.31 H new ATOM 0 HD12 ILE A 428 2.883 -2.448 2.862 1.00 22.31 H new ATOM 0 HD13 ILE A 428 4.343 -1.741 3.594 1.00 22.31 H new ATOM 1038 N VAL A 429 2.958 -2.251 8.131 1.00 0.15 N ATOM 1039 CA VAL A 429 2.564 -2.395 9.498 1.00 23.22 C ATOM 1040 C VAL A 429 1.288 -3.191 9.644 1.00 0.01 C ATOM 1041 O VAL A 429 1.249 -4.177 10.380 1.00 61.03 O ATOM 1042 CB VAL A 429 2.399 -1.005 10.148 1.00 32.42 C ATOM 1043 CG1 VAL A 429 1.763 -1.094 11.518 1.00 44.42 C ATOM 1044 CG2 VAL A 429 3.734 -0.302 10.226 1.00 63.53 C ATOM 0 H VAL A 429 2.670 -1.370 7.705 1.00 0.15 H new ATOM 0 HA VAL A 429 3.352 -2.948 10.009 1.00 23.22 H new ATOM 0 HB VAL A 429 1.727 -0.423 9.517 1.00 32.42 H new ATOM 0 HG11 VAL A 429 1.665 -0.094 11.940 1.00 44.42 H new ATOM 0 HG12 VAL A 429 0.776 -1.549 11.432 1.00 44.42 H new ATOM 0 HG13 VAL A 429 2.388 -1.703 12.171 1.00 44.42 H new ATOM 0 HG21 VAL A 429 3.603 0.677 10.686 1.00 63.53 H new ATOM 0 HG22 VAL A 429 4.423 -0.896 10.826 1.00 63.53 H new ATOM 0 HG23 VAL A 429 4.140 -0.179 9.222 1.00 63.53 H new ATOM 1050 N SER A 430 0.275 -2.813 8.920 1.00 14.22 N ATOM 1051 CA SER A 430 -1.023 -3.421 9.074 1.00 64.53 C ATOM 1052 C SER A 430 -1.804 -3.272 7.805 1.00 61.31 C ATOM 1053 O SER A 430 -1.545 -2.356 7.033 1.00 64.21 O ATOM 1054 CB SER A 430 -1.818 -2.745 10.225 1.00 14.05 C ATOM 1055 OG SER A 430 -1.150 -2.838 11.484 1.00 53.23 O ATOM 0 H SER A 430 0.320 -2.081 8.211 1.00 14.22 H new ATOM 0 HA SER A 430 -0.877 -4.475 9.309 1.00 64.53 H new ATOM 0 HB2 SER A 430 -1.981 -1.695 9.981 1.00 14.05 H new ATOM 0 HB3 SER A 430 -2.801 -3.210 10.304 1.00 14.05 H new ATOM 0 HG SER A 430 -1.689 -2.397 12.174 1.00 53.23 H new ATOM 1061 N VAL A 431 -2.734 -4.165 7.588 1.00 52.00 N ATOM 1062 CA VAL A 431 -3.617 -4.087 6.467 1.00 52.24 C ATOM 1063 C VAL A 431 -4.988 -4.526 6.891 1.00 3.54 C ATOM 1064 O VAL A 431 -5.173 -5.624 7.423 1.00 23.45 O ATOM 1065 CB VAL A 431 -3.124 -4.877 5.215 1.00 45.20 C ATOM 1066 CG1 VAL A 431 -2.835 -6.318 5.540 1.00 43.13 C ATOM 1067 CG2 VAL A 431 -4.152 -4.796 4.096 1.00 2.11 C ATOM 0 H VAL A 431 -2.896 -4.971 8.192 1.00 52.00 H new ATOM 0 HA VAL A 431 -3.642 -3.046 6.144 1.00 52.24 H new ATOM 0 HB VAL A 431 -2.194 -4.414 4.886 1.00 45.20 H new ATOM 0 HG11 VAL A 431 -2.494 -6.832 4.641 1.00 43.13 H new ATOM 0 HG12 VAL A 431 -2.059 -6.370 6.304 1.00 43.13 H new ATOM 0 HG13 VAL A 431 -3.742 -6.796 5.910 1.00 43.13 H new ATOM 0 HG21 VAL A 431 -3.792 -5.352 3.230 1.00 2.11 H new ATOM 0 HG22 VAL A 431 -5.095 -5.224 4.436 1.00 2.11 H new ATOM 0 HG23 VAL A 431 -4.306 -3.753 3.819 1.00 2.11 H new ATOM 1073 N LEU A 432 -5.922 -3.674 6.703 1.00 40.25 N ATOM 1074 CA LEU A 432 -7.259 -3.949 7.083 1.00 50.32 C ATOM 1075 C LEU A 432 -8.137 -3.609 5.913 1.00 1.50 C ATOM 1076 O LEU A 432 -7.893 -2.620 5.242 1.00 31.50 O ATOM 1077 CB LEU A 432 -7.623 -3.102 8.302 1.00 42.02 C ATOM 1078 CG LEU A 432 -8.934 -3.440 8.995 1.00 73.30 C ATOM 1079 CD1 LEU A 432 -8.879 -4.863 9.542 1.00 55.13 C ATOM 1080 CD2 LEU A 432 -9.211 -2.448 10.112 1.00 71.23 C ATOM 0 H LEU A 432 -5.783 -2.757 6.278 1.00 40.25 H new ATOM 0 HA LEU A 432 -7.389 -4.997 7.352 1.00 50.32 H new ATOM 0 HB2 LEU A 432 -6.818 -3.191 9.032 1.00 42.02 H new ATOM 0 HB3 LEU A 432 -7.660 -2.057 7.993 1.00 42.02 H new ATOM 0 HG LEU A 432 -9.746 -3.375 8.271 1.00 73.30 H new ATOM 0 HD11 LEU A 432 -9.821 -5.099 10.037 1.00 55.13 H new ATOM 0 HD12 LEU A 432 -8.715 -5.562 8.722 1.00 55.13 H new ATOM 0 HD13 LEU A 432 -8.062 -4.946 10.258 1.00 55.13 H new ATOM 0 HD21 LEU A 432 -10.152 -2.702 10.599 1.00 71.23 H new ATOM 0 HD22 LEU A 432 -8.403 -2.487 10.842 1.00 71.23 H new ATOM 0 HD23 LEU A 432 -9.277 -1.442 9.697 1.00 71.23 H new ATOM 1088 N GLU A 433 -9.090 -4.433 5.610 1.00 33.42 N ATOM 1089 CA GLU A 433 -9.960 -4.143 4.509 1.00 75.40 C ATOM 1090 C GLU A 433 -11.051 -3.201 5.036 1.00 51.41 C ATOM 1091 O GLU A 433 -11.757 -3.523 6.009 1.00 22.41 O ATOM 1092 CB GLU A 433 -10.518 -5.453 3.936 1.00 73.32 C ATOM 1093 CG GLU A 433 -11.069 -5.379 2.512 1.00 74.43 C ATOM 1094 CD GLU A 433 -12.233 -4.470 2.355 1.00 23.32 C ATOM 1095 OE1 GLU A 433 -13.297 -4.788 2.903 1.00 3.20 O ATOM 1096 OE2 GLU A 433 -12.100 -3.412 1.688 1.00 41.32 O ATOM 0 H GLU A 433 -9.286 -5.304 6.102 1.00 33.42 H new ATOM 0 HA GLU A 433 -9.440 -3.651 3.687 1.00 75.40 H new ATOM 0 HB2 GLU A 433 -9.728 -6.203 3.960 1.00 73.32 H new ATOM 0 HB3 GLU A 433 -11.312 -5.805 4.594 1.00 73.32 H new ATOM 0 HG2 GLU A 433 -10.273 -5.051 1.843 1.00 74.43 H new ATOM 0 HG3 GLU A 433 -11.359 -6.381 2.194 1.00 74.43 H new ATOM 1103 N ALA A 434 -11.152 -2.050 4.423 1.00 10.44 N ATOM 1104 CA ALA A 434 -12.026 -0.993 4.869 1.00 74.13 C ATOM 1105 C ALA A 434 -13.457 -1.148 4.406 1.00 65.10 C ATOM 1106 O ALA A 434 -14.390 -1.063 5.210 1.00 10.01 O ATOM 1107 CB ALA A 434 -11.499 0.347 4.396 1.00 1.31 C ATOM 0 H ALA A 434 -10.620 -1.816 3.585 1.00 10.44 H new ATOM 0 HA ALA A 434 -12.035 -1.050 5.957 1.00 74.13 H new ATOM 0 HB1 ALA A 434 -12.164 1.140 4.737 1.00 1.31 H new ATOM 0 HB2 ALA A 434 -10.501 0.510 4.804 1.00 1.31 H new ATOM 0 HB3 ALA A 434 -11.452 0.356 3.307 1.00 1.31 H new ATOM 1113 N GLN A 435 -13.643 -1.380 3.129 1.00 25.25 N ATOM 1114 CA GLN A 435 -14.977 -1.331 2.570 1.00 43.01 C ATOM 1115 C GLN A 435 -15.388 -2.699 2.043 1.00 5.31 C ATOM 1116 O GLN A 435 -16.242 -3.364 2.607 1.00 33.10 O ATOM 1117 CB GLN A 435 -15.041 -0.286 1.434 1.00 13.04 C ATOM 1118 CG GLN A 435 -14.462 1.092 1.782 1.00 35.24 C ATOM 1119 CD GLN A 435 -15.099 1.753 2.996 1.00 71.50 C ATOM 1120 OE1 GLN A 435 -16.268 1.548 3.299 1.00 53.40 O ATOM 1121 NE2 GLN A 435 -14.332 2.544 3.694 1.00 65.43 N ATOM 0 H GLN A 435 -12.902 -1.602 2.464 1.00 25.25 H new ATOM 0 HA GLN A 435 -15.670 -1.040 3.359 1.00 43.01 H new ATOM 0 HB2 GLN A 435 -14.506 -0.679 0.569 1.00 13.04 H new ATOM 0 HB3 GLN A 435 -16.082 -0.160 1.135 1.00 13.04 H new ATOM 0 HG2 GLN A 435 -13.392 0.989 1.960 1.00 35.24 H new ATOM 0 HG3 GLN A 435 -14.580 1.750 0.921 1.00 35.24 H new ATOM 0 HE21 GLN A 435 -13.363 2.693 3.413 1.00 65.43 H new ATOM 0 HE22 GLN A 435 -14.702 3.014 4.520 1.00 65.43 H new ATOM 1129 N LYS A 436 -14.753 -3.088 0.964 1.00 60.21 N ATOM 1130 CA LYS A 436 -14.946 -4.365 0.296 1.00 64.40 C ATOM 1131 C LYS A 436 -13.914 -4.517 -0.807 1.00 13.35 C ATOM 1132 O LYS A 436 -13.585 -5.633 -1.224 1.00 32.13 O ATOM 1133 CB LYS A 436 -16.347 -4.541 -0.296 1.00 70.12 C ATOM 1134 CG LYS A 436 -16.766 -3.476 -1.300 1.00 34.23 C ATOM 1135 CD LYS A 436 -17.371 -2.247 -0.652 1.00 22.51 C ATOM 1136 CE LYS A 436 -18.716 -2.579 -0.005 1.00 34.45 C ATOM 1137 NZ LYS A 436 -19.369 -1.389 0.562 1.00 24.32 N ATOM 0 H LYS A 436 -14.056 -2.503 0.503 1.00 60.21 H new ATOM 0 HA LYS A 436 -14.827 -5.137 1.057 1.00 64.40 H new ATOM 0 HB2 LYS A 436 -16.399 -5.515 -0.782 1.00 70.12 H new ATOM 0 HB3 LYS A 436 -17.070 -4.553 0.520 1.00 70.12 H new ATOM 0 HG2 LYS A 436 -15.897 -3.178 -1.887 1.00 34.23 H new ATOM 0 HG3 LYS A 436 -17.488 -3.905 -1.994 1.00 34.23 H new ATOM 0 HD2 LYS A 436 -16.688 -1.854 0.101 1.00 22.51 H new ATOM 0 HD3 LYS A 436 -17.505 -1.465 -1.400 1.00 22.51 H new ATOM 0 HE2 LYS A 436 -19.372 -3.032 -0.748 1.00 34.45 H new ATOM 0 HE3 LYS A 436 -18.566 -3.319 0.782 1.00 34.45 H new ATOM 0 HZ1 LYS A 436 -20.277 -1.662 0.990 1.00 24.32 H new ATOM 0 HZ2 LYS A 436 -18.756 -0.970 1.290 1.00 24.32 H new ATOM 0 HZ3 LYS A 436 -19.537 -0.693 -0.192 1.00 24.32 H new ATOM 1151 N CYS A 437 -13.420 -3.390 -1.288 1.00 61.42 N ATOM 1152 CA CYS A 437 -12.449 -3.380 -2.346 1.00 11.40 C ATOM 1153 C CYS A 437 -11.353 -2.381 -1.995 1.00 23.02 C ATOM 1154 O CYS A 437 -10.550 -2.014 -2.837 1.00 41.03 O ATOM 1155 CB CYS A 437 -13.114 -2.907 -3.647 1.00 4.44 C ATOM 1156 SG CYS A 437 -14.697 -3.740 -4.115 1.00 64.53 S ATOM 0 H CYS A 437 -13.685 -2.464 -0.952 1.00 61.42 H new ATOM 0 HA CYS A 437 -12.040 -4.383 -2.472 1.00 11.40 H new ATOM 0 HB2 CYS A 437 -13.303 -1.837 -3.564 1.00 4.44 H new ATOM 0 HB3 CYS A 437 -12.403 -3.042 -4.462 1.00 4.44 H new ATOM 1161 N GLU A 438 -11.322 -1.938 -0.757 1.00 21.42 N ATOM 1162 CA GLU A 438 -10.390 -0.903 -0.355 1.00 3.31 C ATOM 1163 C GLU A 438 -9.740 -1.197 0.970 1.00 42.21 C ATOM 1164 O GLU A 438 -10.396 -1.293 1.975 1.00 63.33 O ATOM 1165 CB GLU A 438 -11.034 0.486 -0.405 1.00 31.14 C ATOM 1166 CG GLU A 438 -10.217 1.572 0.300 1.00 3.43 C ATOM 1167 CD GLU A 438 -10.729 2.966 0.061 1.00 34.41 C ATOM 1168 OE1 GLU A 438 -10.304 3.612 -0.930 1.00 24.03 O ATOM 1169 OE2 GLU A 438 -11.538 3.455 0.858 1.00 53.24 O ATOM 0 H GLU A 438 -11.930 -2.277 -0.011 1.00 21.42 H new ATOM 0 HA GLU A 438 -9.581 -0.900 -1.086 1.00 3.31 H new ATOM 0 HB2 GLU A 438 -11.178 0.772 -1.447 1.00 31.14 H new ATOM 0 HB3 GLU A 438 -12.023 0.434 0.051 1.00 31.14 H new ATOM 0 HG2 GLU A 438 -10.215 1.374 1.372 1.00 3.43 H new ATOM 0 HG3 GLU A 438 -9.182 1.512 -0.037 1.00 3.43 H new ATOM 1176 N TYR A 439 -8.454 -1.313 0.955 1.00 45.04 N ATOM 1177 CA TYR A 439 -7.708 -1.675 2.133 1.00 34.30 C ATOM 1178 C TYR A 439 -7.009 -0.465 2.726 1.00 11.24 C ATOM 1179 O TYR A 439 -6.620 0.448 2.006 1.00 61.10 O ATOM 1180 CB TYR A 439 -6.667 -2.753 1.759 1.00 14.55 C ATOM 1181 CG TYR A 439 -7.280 -4.009 1.157 1.00 71.35 C ATOM 1182 CD1 TYR A 439 -7.781 -4.007 -0.140 1.00 21.15 C ATOM 1183 CD2 TYR A 439 -7.370 -5.177 1.885 1.00 51.33 C ATOM 1184 CE1 TYR A 439 -8.358 -5.129 -0.689 1.00 24.54 C ATOM 1185 CE2 TYR A 439 -7.942 -6.312 1.343 1.00 2.52 C ATOM 1186 CZ TYR A 439 -8.438 -6.279 0.056 1.00 72.05 C ATOM 1187 OH TYR A 439 -9.020 -7.401 -0.482 1.00 64.41 O ATOM 0 H TYR A 439 -7.880 -1.160 0.126 1.00 45.04 H new ATOM 0 HA TYR A 439 -8.397 -2.067 2.881 1.00 34.30 H new ATOM 0 HB2 TYR A 439 -5.957 -2.329 1.049 1.00 14.55 H new ATOM 0 HB3 TYR A 439 -6.102 -3.026 2.651 1.00 14.55 H new ATOM 0 HD1 TYR A 439 -7.716 -3.105 -0.730 1.00 21.15 H new ATOM 0 HD2 TYR A 439 -6.987 -5.205 2.895 1.00 51.33 H new ATOM 0 HE1 TYR A 439 -8.745 -5.105 -1.697 1.00 24.54 H new ATOM 0 HE2 TYR A 439 -8.001 -7.221 1.924 1.00 2.52 H new ATOM 0 HH TYR A 439 -8.996 -8.129 0.174 1.00 64.41 H new ATOM 1197 N LEU A 440 -6.891 -0.439 4.023 1.00 70.23 N ATOM 1198 CA LEU A 440 -6.108 0.562 4.683 1.00 72.13 C ATOM 1199 C LEU A 440 -4.865 -0.090 5.218 1.00 42.22 C ATOM 1200 O LEU A 440 -4.931 -1.056 5.996 1.00 1.33 O ATOM 1201 CB LEU A 440 -6.853 1.362 5.793 1.00 11.35 C ATOM 1202 CG LEU A 440 -7.466 0.596 6.974 1.00 22.14 C ATOM 1203 CD1 LEU A 440 -7.720 1.555 8.109 1.00 11.42 C ATOM 1204 CD2 LEU A 440 -8.791 -0.006 6.582 1.00 32.15 C ATOM 0 H LEU A 440 -7.334 -1.110 4.650 1.00 70.23 H new ATOM 0 HA LEU A 440 -5.866 1.321 3.939 1.00 72.13 H new ATOM 0 HB2 LEU A 440 -6.152 2.091 6.201 1.00 11.35 H new ATOM 0 HB3 LEU A 440 -7.654 1.924 5.313 1.00 11.35 H new ATOM 0 HG LEU A 440 -6.772 -0.191 7.270 1.00 22.14 H new ATOM 0 HD11 LEU A 440 -8.155 1.016 8.950 1.00 11.42 H new ATOM 0 HD12 LEU A 440 -6.779 2.011 8.418 1.00 11.42 H new ATOM 0 HD13 LEU A 440 -8.409 2.333 7.781 1.00 11.42 H new ATOM 0 HD21 LEU A 440 -9.211 -0.545 7.431 1.00 32.15 H new ATOM 0 HD22 LEU A 440 -9.476 0.787 6.281 1.00 32.15 H new ATOM 0 HD23 LEU A 440 -8.646 -0.695 5.750 1.00 32.15 H new ATOM 1212 N ILE A 441 -3.759 0.384 4.766 1.00 21.44 N ATOM 1213 CA ILE A 441 -2.478 -0.165 5.104 1.00 73.32 C ATOM 1214 C ILE A 441 -1.604 0.882 5.795 1.00 74.15 C ATOM 1215 O ILE A 441 -1.490 2.022 5.338 1.00 13.20 O ATOM 1216 CB ILE A 441 -1.792 -0.697 3.817 1.00 12.32 C ATOM 1217 CG1 ILE A 441 -2.593 -1.872 3.244 1.00 50.25 C ATOM 1218 CG2 ILE A 441 -0.342 -1.105 4.077 1.00 74.30 C ATOM 1219 CD1 ILE A 441 -2.171 -2.316 1.867 1.00 54.32 C ATOM 0 H ILE A 441 -3.710 1.184 4.135 1.00 21.44 H new ATOM 0 HA ILE A 441 -2.615 -0.991 5.802 1.00 73.32 H new ATOM 0 HB ILE A 441 -1.774 0.111 3.085 1.00 12.32 H new ATOM 0 HG12 ILE A 441 -2.506 -2.718 3.925 1.00 50.25 H new ATOM 0 HG13 ILE A 441 -3.647 -1.594 3.213 1.00 50.25 H new ATOM 0 HG21 ILE A 441 0.104 -1.472 3.153 1.00 74.30 H new ATOM 0 HG22 ILE A 441 0.220 -0.242 4.434 1.00 74.30 H new ATOM 0 HG23 ILE A 441 -0.315 -1.892 4.830 1.00 74.30 H new ATOM 0 HD11 ILE A 441 -2.794 -3.151 1.547 1.00 54.32 H new ATOM 0 HD12 ILE A 441 -2.285 -1.488 1.167 1.00 54.32 H new ATOM 0 HD13 ILE A 441 -1.128 -2.630 1.890 1.00 54.32 H new ATOM 1226 N LYS A 442 -1.014 0.498 6.901 1.00 62.14 N ATOM 1227 CA LYS A 442 -0.149 1.365 7.628 1.00 44.53 C ATOM 1228 C LYS A 442 1.281 1.032 7.264 1.00 11.52 C ATOM 1229 O LYS A 442 1.626 -0.142 7.138 1.00 65.12 O ATOM 1230 CB LYS A 442 -0.366 1.154 9.131 1.00 62.43 C ATOM 1231 CG LYS A 442 0.505 2.031 10.028 1.00 45.44 C ATOM 1232 CD LYS A 442 0.216 3.504 9.835 1.00 2.40 C ATOM 1233 CE LYS A 442 -1.214 3.841 10.207 1.00 14.30 C ATOM 1234 NZ LYS A 442 -1.492 5.270 10.003 1.00 13.04 N ATOM 0 H LYS A 442 -1.127 -0.428 7.314 1.00 62.14 H new ATOM 0 HA LYS A 442 -0.360 2.405 7.381 1.00 44.53 H new ATOM 0 HB2 LYS A 442 -1.413 1.346 9.364 1.00 62.43 H new ATOM 0 HB3 LYS A 442 -0.173 0.108 9.369 1.00 62.43 H new ATOM 0 HG2 LYS A 442 0.337 1.762 11.071 1.00 45.44 H new ATOM 0 HG3 LYS A 442 1.556 1.837 9.814 1.00 45.44 H new ATOM 0 HD2 LYS A 442 0.901 4.093 10.445 1.00 2.40 H new ATOM 0 HD3 LYS A 442 0.398 3.779 8.796 1.00 2.40 H new ATOM 0 HE2 LYS A 442 -1.900 3.245 9.605 1.00 14.30 H new ATOM 0 HE3 LYS A 442 -1.393 3.578 11.249 1.00 14.30 H new ATOM 0 HZ1 LYS A 442 -2.422 5.504 10.406 1.00 13.04 H new ATOM 0 HZ2 LYS A 442 -0.758 5.837 10.474 1.00 13.04 H new ATOM 0 HZ3 LYS A 442 -1.492 5.482 8.985 1.00 13.04 H new ATOM 1248 N MET A 443 2.105 2.034 7.078 1.00 74.44 N ATOM 1249 CA MET A 443 3.505 1.820 6.785 1.00 21.20 C ATOM 1250 C MET A 443 4.335 2.793 7.537 1.00 10.30 C ATOM 1251 O MET A 443 3.822 3.782 8.058 1.00 61.14 O ATOM 1252 CB MET A 443 3.831 1.942 5.299 1.00 13.12 C ATOM 1253 CG MET A 443 3.241 0.873 4.413 1.00 21.13 C ATOM 1254 SD MET A 443 3.832 1.000 2.717 1.00 42.40 S ATOM 1255 CE MET A 443 5.594 0.802 2.961 1.00 62.51 C ATOM 0 H MET A 443 1.829 3.015 7.124 1.00 74.44 H new ATOM 0 HA MET A 443 3.730 0.798 7.090 1.00 21.20 H new ATOM 0 HB2 MET A 443 3.483 2.913 4.947 1.00 13.12 H new ATOM 0 HB3 MET A 443 4.914 1.930 5.181 1.00 13.12 H new ATOM 0 HG2 MET A 443 3.494 -0.109 4.812 1.00 21.13 H new ATOM 0 HG3 MET A 443 2.154 0.952 4.425 1.00 21.13 H new ATOM 0 HE1 MET A 443 6.044 0.402 2.053 1.00 62.51 H new ATOM 0 HE2 MET A 443 6.040 1.769 3.192 1.00 62.51 H new ATOM 0 HE3 MET A 443 5.772 0.114 3.788 1.00 62.51 H new ATOM 1265 N LYS A 444 5.605 2.528 7.615 1.00 40.14 N ATOM 1266 CA LYS A 444 6.508 3.424 8.280 1.00 35.23 C ATOM 1267 C LYS A 444 7.729 3.643 7.416 1.00 34.51 C ATOM 1268 O LYS A 444 7.993 2.858 6.490 1.00 11.34 O ATOM 1269 CB LYS A 444 6.921 2.901 9.655 1.00 21.54 C ATOM 1270 CG LYS A 444 5.772 2.596 10.578 1.00 13.32 C ATOM 1271 CD LYS A 444 5.126 3.871 11.014 1.00 13.11 C ATOM 1272 CE LYS A 444 3.864 3.638 11.794 1.00 45.31 C ATOM 1273 NZ LYS A 444 4.094 2.854 13.027 1.00 14.52 N ATOM 0 H LYS A 444 6.043 1.694 7.224 1.00 40.14 H new ATOM 0 HA LYS A 444 5.991 4.371 8.435 1.00 35.23 H new ATOM 0 HB2 LYS A 444 7.514 1.996 9.522 1.00 21.54 H new ATOM 0 HB3 LYS A 444 7.567 3.639 10.131 1.00 21.54 H new ATOM 0 HG2 LYS A 444 5.044 1.963 10.071 1.00 13.32 H new ATOM 0 HG3 LYS A 444 6.127 2.041 11.446 1.00 13.32 H new ATOM 0 HD2 LYS A 444 5.827 4.440 11.625 1.00 13.11 H new ATOM 0 HD3 LYS A 444 4.901 4.479 10.138 1.00 13.11 H new ATOM 0 HE2 LYS A 444 3.421 4.599 12.056 1.00 45.31 H new ATOM 0 HE3 LYS A 444 3.144 3.116 11.165 1.00 45.31 H new ATOM 0 HZ1 LYS A 444 3.205 2.779 13.562 1.00 14.52 H new ATOM 0 HZ2 LYS A 444 4.428 1.902 12.776 1.00 14.52 H new ATOM 0 HZ3 LYS A 444 4.811 3.329 13.612 1.00 14.52 H new ATOM 1287 N SER A 445 8.430 4.707 7.693 1.00 21.24 N ATOM 1288 CA SER A 445 9.626 5.089 6.974 1.00 62.51 C ATOM 1289 C SER A 445 10.392 6.118 7.795 1.00 52.11 C ATOM 1290 O SER A 445 9.781 6.980 8.440 1.00 14.41 O ATOM 1291 CB SER A 445 9.222 5.723 5.631 1.00 31.43 C ATOM 1292 OG SER A 445 10.334 6.175 4.874 1.00 24.33 O ATOM 0 H SER A 445 8.184 5.353 8.443 1.00 21.24 H new ATOM 0 HA SER A 445 10.250 4.212 6.800 1.00 62.51 H new ATOM 0 HB2 SER A 445 8.663 4.994 5.045 1.00 31.43 H new ATOM 0 HB3 SER A 445 8.552 6.562 5.819 1.00 31.43 H new ATOM 0 HG SER A 445 10.650 5.452 4.293 1.00 24.33 H new ATOM 1298 N PRO A 446 11.731 6.056 7.801 1.00 12.54 N ATOM 1299 CA PRO A 446 12.548 7.061 8.473 1.00 42.35 C ATOM 1300 C PRO A 446 12.431 8.397 7.736 1.00 14.45 C ATOM 1301 O PRO A 446 12.547 9.473 8.326 1.00 32.23 O ATOM 1302 CB PRO A 446 13.976 6.505 8.367 1.00 15.21 C ATOM 1303 CG PRO A 446 13.942 5.556 7.216 1.00 51.21 C ATOM 1304 CD PRO A 446 12.551 4.992 7.181 1.00 51.04 C ATOM 0 HA PRO A 446 12.249 7.242 9.505 1.00 42.35 H new ATOM 0 HB2 PRO A 446 14.698 7.304 8.198 1.00 15.21 H new ATOM 0 HB3 PRO A 446 14.271 5.999 9.286 1.00 15.21 H new ATOM 0 HG2 PRO A 446 14.179 6.067 6.283 1.00 51.21 H new ATOM 0 HG3 PRO A 446 14.680 4.764 7.342 1.00 51.21 H new ATOM 0 HD2 PRO A 446 12.229 4.780 6.161 1.00 51.04 H new ATOM 0 HD3 PRO A 446 12.483 4.057 7.737 1.00 51.04 H new ATOM 1312 N ALA A 447 12.130 8.300 6.445 1.00 25.41 N ATOM 1313 CA ALA A 447 11.970 9.448 5.582 1.00 41.51 C ATOM 1314 C ALA A 447 10.584 10.079 5.772 1.00 44.12 C ATOM 1315 O ALA A 447 10.280 11.140 5.212 1.00 61.23 O ATOM 1316 CB ALA A 447 12.192 9.044 4.131 1.00 33.40 C ATOM 0 H ALA A 447 11.990 7.408 5.970 1.00 25.41 H new ATOM 0 HA ALA A 447 12.716 10.196 5.850 1.00 41.51 H new ATOM 0 HB1 ALA A 447 12.069 9.915 3.488 1.00 33.40 H new ATOM 0 HB2 ALA A 447 13.200 8.646 4.014 1.00 33.40 H new ATOM 0 HB3 ALA A 447 11.466 8.281 3.851 1.00 33.40 H new ATOM 1322 N ALA A 448 9.739 9.410 6.538 1.00 42.42 N ATOM 1323 CA ALA A 448 8.412 9.923 6.859 1.00 13.33 C ATOM 1324 C ALA A 448 8.370 10.350 8.303 1.00 22.41 C ATOM 1325 O ALA A 448 7.305 10.620 8.860 1.00 71.44 O ATOM 1326 CB ALA A 448 7.366 8.859 6.634 1.00 12.33 C ATOM 0 H ALA A 448 9.948 8.502 6.954 1.00 42.42 H new ATOM 0 HA ALA A 448 8.204 10.774 6.210 1.00 13.33 H new ATOM 0 HB1 ALA A 448 6.382 9.259 6.878 1.00 12.33 H new ATOM 0 HB2 ALA A 448 7.382 8.548 5.589 1.00 12.33 H new ATOM 0 HB3 ALA A 448 7.577 8.000 7.271 1.00 12.33 H new ATOM 1332 N CYS A 449 9.520 10.438 8.907 1.00 21.44 N ATOM 1333 CA CYS A 449 9.588 10.725 10.293 1.00 72.11 C ATOM 1334 C CYS A 449 9.950 12.165 10.548 1.00 1.25 C ATOM 1335 O CYS A 449 10.995 12.645 10.123 1.00 43.34 O ATOM 1336 CB CYS A 449 10.601 9.815 10.963 1.00 2.23 C ATOM 1337 SG CYS A 449 10.608 9.928 12.774 1.00 50.11 S ATOM 0 H CYS A 449 10.423 10.313 8.450 1.00 21.44 H new ATOM 0 HA CYS A 449 8.599 10.548 10.716 1.00 72.11 H new ATOM 0 HB2 CYS A 449 10.396 8.784 10.674 1.00 2.23 H new ATOM 0 HB3 CYS A 449 11.596 10.058 10.590 1.00 2.23 H new ATOM 1342 N SER A 450 9.070 12.838 11.229 1.00 41.30 N ATOM 1343 CA SER A 450 9.266 14.186 11.654 1.00 30.12 C ATOM 1344 C SER A 450 8.305 14.426 12.803 1.00 4.10 C ATOM 1345 O SER A 450 8.586 13.939 13.917 1.00 36.18 O ATOM 1346 CB SER A 450 9.014 15.178 10.485 1.00 33.42 C ATOM 1347 OG SER A 450 9.233 16.536 10.876 1.00 62.44 O ATOM 1348 OXT SER A 450 7.235 15.024 12.591 1.00 36.18 O ATOM 0 H SER A 450 8.170 12.449 11.511 1.00 41.30 H new ATOM 0 HA SER A 450 10.294 14.349 11.977 1.00 30.12 H new ATOM 0 HB2 SER A 450 9.672 14.930 9.652 1.00 33.42 H new ATOM 0 HB3 SER A 450 7.990 15.064 10.128 1.00 33.42 H new ATOM 0 HG SER A 450 9.066 17.127 10.113 1.00 62.44 H new TER 1354 SER A 450