USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 0 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 38 SER OG : rot -101:sc= 1.21! USER MOD Set 1.2: A 44 THR OG1 : rot 150:sc= 1.31 USER MOD Single : A 1 ASN : amide:sc= -4.94! C(o=-4.9!,f=-11!) USER MOD Single : A 1 ASN N :NH3+ 169:sc= -0.74 (180deg=-0.942) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -154:sc= -0.512! USER MOD Single : A 13 TYR OH : rot -125:sc= 0.0682 USER MOD Single : A 16 ASN :FLIP amide:sc= -8.1! C(o=-12!,f=-8.1!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -7.89! C(o=-11!,f=-7.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0569 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.868 USER MOD Single : A 30 THR OG1 : rot -111:sc= 0.0686! USER MOD Single : A 32 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.7) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00701 X(o=-0.007,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -3.204 16.669 1.252 1.00 0.00 N ATOM 2 CA ASN A 1 -4.265 16.040 2.019 1.00 0.00 C ATOM 3 C ASN A 1 -4.609 14.687 1.390 1.00 0.00 C ATOM 4 O ASN A 1 -4.959 14.617 0.214 1.00 0.00 O ATOM 5 CB ASN A 1 -5.533 16.898 2.013 1.00 0.00 C ATOM 6 CG ASN A 1 -5.584 17.793 0.774 1.00 0.00 C ATOM 7 OD1 ASN A 1 -6.117 17.430 -0.264 1.00 0.00 O ATOM 8 ND2 ASN A 1 -5.001 18.977 0.935 1.00 0.00 N ATOM 0 H1 ASN A 1 -3.095 17.657 1.556 1.00 0.00 H new ATOM 0 H2 ASN A 1 -2.312 16.158 1.409 1.00 0.00 H new ATOM 0 H3 ASN A 1 -3.444 16.643 0.241 1.00 0.00 H new ATOM 0 HA ASN A 1 -3.914 15.921 3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -6.412 16.254 2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -5.564 17.514 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -4.981 19.645 0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -4.574 19.218 1.829 1.00 0.00 H new ATOM 9 N SER A 2 -4.496 13.648 2.203 1.00 0.00 N ATOM 10 CA SER A 2 -4.790 12.302 1.741 1.00 0.00 C ATOM 11 C SER A 2 -6.302 12.107 1.627 1.00 0.00 C ATOM 12 O SER A 2 -7.043 12.389 2.569 1.00 0.00 O ATOM 13 CB SER A 2 -4.188 11.253 2.681 1.00 0.00 C ATOM 14 OG SER A 2 -2.778 11.403 2.815 1.00 0.00 O ATOM 0 H SER A 2 -4.205 13.710 3.179 1.00 0.00 H new ATOM 0 HA SER A 2 -4.338 12.171 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.656 11.334 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.412 10.256 2.302 1.00 0.00 H new ATOM 0 HG SER A 2 -2.432 10.717 3.423 1.00 0.00 H new ATOM 15 N TYR A 3 -6.719 11.624 0.466 1.00 0.00 N ATOM 16 CA TYR A 3 -8.131 11.388 0.216 1.00 0.00 C ATOM 17 C TYR A 3 -8.371 9.953 -0.254 1.00 0.00 C ATOM 18 O TYR A 3 -7.600 9.419 -1.049 1.00 0.00 O ATOM 19 CB TYR A 3 -8.529 12.353 -0.903 1.00 0.00 C ATOM 20 CG TYR A 3 -9.986 12.220 -1.350 1.00 0.00 C ATOM 21 CD1 TYR A 3 -10.970 12.958 -0.723 1.00 0.00 C ATOM 22 CD2 TYR A 3 -10.317 11.363 -2.381 1.00 0.00 C ATOM 23 CE1 TYR A 3 -12.341 12.833 -1.144 1.00 0.00 C ATOM 24 CE2 TYR A 3 -11.689 11.239 -2.801 1.00 0.00 C ATOM 25 CZ TYR A 3 -12.632 11.980 -2.162 1.00 0.00 C ATOM 26 OH TYR A 3 -13.928 11.862 -2.559 1.00 0.00 O ATOM 0 H TYR A 3 -6.103 11.389 -0.313 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.713 11.541 1.125 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.355 13.375 -0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.879 12.185 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.711 13.629 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.547 10.786 -2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.121 13.404 -0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.962 10.572 -3.606 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.987 11.219 -3.296 1.00 0.00 H new ATOM 27 N PRO A 4 -9.474 9.352 0.270 1.00 0.00 N ATOM 28 CA PRO A 4 -9.825 7.988 -0.087 1.00 0.00 C ATOM 29 C PRO A 4 -10.421 7.927 -1.496 1.00 0.00 C ATOM 30 O PRO A 4 -11.501 8.461 -1.742 1.00 0.00 O ATOM 31 CB PRO A 4 -10.801 7.538 0.988 1.00 0.00 C ATOM 32 CG PRO A 4 -11.317 8.811 1.643 1.00 0.00 C ATOM 33 CD PRO A 4 -10.411 9.955 1.215 1.00 0.00 C ATOM 0 HA PRO A 4 -8.959 7.327 -0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.619 6.962 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.309 6.895 1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.346 9.006 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.317 8.709 2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.981 10.759 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.889 10.388 2.069 1.00 0.00 H new ATOM 34 N GLY A 5 -9.688 7.273 -2.385 1.00 0.00 N ATOM 35 CA GLY A 5 -10.129 7.135 -3.763 1.00 0.00 C ATOM 36 C GLY A 5 -9.238 6.154 -4.528 1.00 0.00 C ATOM 37 O GLY A 5 -8.063 5.996 -4.204 1.00 0.00 O ATOM 0 H GLY A 5 -8.791 6.833 -2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.162 6.787 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.110 8.108 -4.254 1.00 0.00 H new ATOM 38 N CYS A 6 -9.834 5.523 -5.529 1.00 0.00 N ATOM 39 CA CYS A 6 -9.108 4.561 -6.343 1.00 0.00 C ATOM 40 C CYS A 6 -10.024 4.110 -7.484 1.00 0.00 C ATOM 41 O CYS A 6 -10.842 3.208 -7.309 1.00 0.00 O ATOM 42 CB CYS A 6 -8.609 3.378 -5.511 1.00 0.00 C ATOM 43 SG CYS A 6 -6.903 3.554 -4.875 1.00 0.00 S ATOM 0 H CYS A 6 -10.809 5.658 -5.795 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.216 5.031 -6.757 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.284 3.235 -4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.664 2.475 -6.119 1.00 0.00 H new ATOM 44 N PRO A 7 -9.852 4.777 -8.657 1.00 0.00 N ATOM 45 CA PRO A 7 -10.653 4.454 -9.825 1.00 0.00 C ATOM 46 C PRO A 7 -10.190 3.144 -10.462 1.00 0.00 C ATOM 47 O PRO A 7 -9.290 2.480 -9.946 1.00 0.00 O ATOM 48 CB PRO A 7 -10.500 5.651 -10.749 1.00 0.00 C ATOM 49 CG PRO A 7 -9.258 6.387 -10.274 1.00 0.00 C ATOM 50 CD PRO A 7 -8.894 5.852 -8.899 1.00 0.00 C ATOM 0 HA PRO A 7 -11.702 4.286 -9.583 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.393 5.333 -11.786 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.378 6.295 -10.702 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.435 6.236 -10.972 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.445 7.460 -10.229 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.869 5.482 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.970 6.629 -8.138 1.00 0.00 H new ATOM 51 N SER A 8 -10.825 2.807 -11.574 1.00 0.00 N ATOM 52 CA SER A 8 -10.488 1.587 -12.289 1.00 0.00 C ATOM 53 C SER A 8 -9.338 1.849 -13.261 1.00 0.00 C ATOM 54 O SER A 8 -9.034 1.011 -14.110 1.00 0.00 O ATOM 55 CB SER A 8 -11.703 1.034 -13.038 1.00 0.00 C ATOM 56 OG SER A 8 -12.816 0.826 -12.172 1.00 0.00 O ATOM 0 H SER A 8 -11.572 3.357 -11.998 1.00 0.00 H new ATOM 0 HA SER A 8 -10.174 0.840 -11.560 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.985 1.726 -13.831 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.436 0.092 -13.517 1.00 0.00 H new ATOM 0 HG SER A 8 -13.571 0.474 -12.688 1.00 0.00 H new ATOM 57 N SER A 9 -8.730 3.016 -13.109 1.00 0.00 N ATOM 58 CA SER A 9 -7.620 3.400 -13.965 1.00 0.00 C ATOM 59 C SER A 9 -6.409 2.510 -13.680 1.00 0.00 C ATOM 60 O SER A 9 -5.814 1.952 -14.601 1.00 0.00 O ATOM 61 CB SER A 9 -7.255 4.872 -13.765 1.00 0.00 C ATOM 62 OG SER A 9 -6.238 5.298 -14.671 1.00 0.00 O ATOM 0 H SER A 9 -8.985 3.709 -12.405 1.00 0.00 H new ATOM 0 HA SER A 9 -7.925 3.267 -15.003 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.144 5.488 -13.902 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.916 5.026 -12.741 1.00 0.00 H new ATOM 0 HG SER A 9 -6.034 6.243 -14.513 1.00 0.00 H new ATOM 63 N TYR A 10 -6.079 2.404 -12.401 1.00 0.00 N ATOM 64 CA TYR A 10 -4.948 1.592 -11.983 1.00 0.00 C ATOM 65 C TYR A 10 -5.378 0.144 -11.731 1.00 0.00 C ATOM 66 O TYR A 10 -4.917 -0.771 -12.413 1.00 0.00 O ATOM 67 CB TYR A 10 -4.455 2.201 -10.670 1.00 0.00 C ATOM 68 CG TYR A 10 -4.443 3.730 -10.657 1.00 0.00 C ATOM 69 CD1 TYR A 10 -3.394 4.417 -11.237 1.00 0.00 C ATOM 70 CD2 TYR A 10 -5.479 4.424 -10.068 1.00 0.00 C ATOM 71 CE1 TYR A 10 -3.385 5.855 -11.226 1.00 0.00 C ATOM 72 CE2 TYR A 10 -5.468 5.863 -10.056 1.00 0.00 C ATOM 73 CZ TYR A 10 -4.422 6.508 -10.636 1.00 0.00 C ATOM 74 OH TYR A 10 -4.411 7.868 -10.625 1.00 0.00 O ATOM 0 H TYR A 10 -6.575 2.867 -11.640 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.177 1.580 -12.753 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.088 1.846 -9.857 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.447 1.839 -10.470 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.582 3.875 -11.698 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.299 3.887 -9.615 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.572 6.405 -11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.273 6.418 -9.596 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.938 8.193 -9.865 1.00 0.00 H new ATOM 75 N ASP A 11 -6.255 -0.019 -10.752 1.00 0.00 N ATOM 76 CA ASP A 11 -6.751 -1.338 -10.403 1.00 0.00 C ATOM 77 C ASP A 11 -5.565 -2.269 -10.136 1.00 0.00 C ATOM 78 O ASP A 11 -5.270 -3.149 -10.944 1.00 0.00 O ATOM 79 CB ASP A 11 -7.576 -1.936 -11.543 1.00 0.00 C ATOM 80 CG ASP A 11 -8.210 -3.295 -11.238 1.00 0.00 C ATOM 81 OD1 ASP A 11 -9.322 -3.244 -10.585 1.00 0.00 O ATOM 82 OD2 ASP A 11 -7.670 -4.349 -11.606 1.00 0.00 O ATOM 0 H ASP A 11 -6.635 0.742 -10.189 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.380 -1.239 -9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.367 -1.234 -11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.936 -2.039 -12.419 1.00 0.00 H new ATOM 83 N GLY A 12 -4.919 -2.044 -9.002 1.00 0.00 N ATOM 84 CA GLY A 12 -3.775 -2.852 -8.621 1.00 0.00 C ATOM 85 C GLY A 12 -2.634 -1.976 -8.097 1.00 0.00 C ATOM 86 O GLY A 12 -1.468 -2.222 -8.398 1.00 0.00 O ATOM 0 H GLY A 12 -5.167 -1.313 -8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.070 -3.568 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.431 -3.429 -9.479 1.00 0.00 H new ATOM 87 N TYR A 13 -3.013 -0.971 -7.321 1.00 0.00 N ATOM 88 CA TYR A 13 -2.038 -0.055 -6.753 1.00 0.00 C ATOM 89 C TYR A 13 -1.743 -0.406 -5.294 1.00 0.00 C ATOM 90 O TYR A 13 -0.970 0.283 -4.629 1.00 0.00 O ATOM 91 CB TYR A 13 -2.678 1.334 -6.811 1.00 0.00 C ATOM 92 CG TYR A 13 -1.687 2.464 -7.099 1.00 0.00 C ATOM 93 CD1 TYR A 13 -1.195 2.642 -8.376 1.00 0.00 C ATOM 94 CD2 TYR A 13 -1.285 3.304 -6.080 1.00 0.00 C ATOM 95 CE1 TYR A 13 -0.263 3.705 -8.645 1.00 0.00 C ATOM 96 CE2 TYR A 13 -0.353 4.368 -6.351 1.00 0.00 C ATOM 97 CZ TYR A 13 0.112 4.515 -7.620 1.00 0.00 C ATOM 98 OH TYR A 13 0.993 5.520 -7.876 1.00 0.00 O ATOM 0 H TYR A 13 -3.982 -0.771 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.099 -0.105 -7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.449 1.336 -7.581 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.175 1.534 -5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.509 1.984 -9.173 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.669 3.163 -5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.130 3.856 -9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.031 5.034 -5.564 1.00 0.00 H new ATOM 0 HH TYR A 13 1.760 5.444 -7.271 1.00 0.00 H new ATOM 99 N CYS A 14 -2.373 -1.479 -4.836 1.00 0.00 N ATOM 100 CA CYS A 14 -2.186 -1.930 -3.468 1.00 0.00 C ATOM 101 C CYS A 14 -2.080 -3.456 -3.475 1.00 0.00 C ATOM 102 O CYS A 14 -3.044 -4.148 -3.800 1.00 0.00 O ATOM 103 CB CYS A 14 -3.310 -1.441 -2.553 1.00 0.00 C ATOM 104 SG CYS A 14 -4.245 0.000 -3.188 1.00 0.00 S ATOM 0 H CYS A 14 -3.013 -2.049 -5.389 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.267 -1.505 -3.065 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.006 -2.263 -2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.884 -1.181 -1.584 1.00 0.00 H new ATOM 105 N LEU A 15 -0.899 -3.938 -3.116 1.00 0.00 N ATOM 106 CA LEU A 15 -0.654 -5.369 -3.076 1.00 0.00 C ATOM 107 C LEU A 15 -0.495 -5.815 -1.621 1.00 0.00 C ATOM 108 O LEU A 15 -0.597 -5.003 -0.705 1.00 0.00 O ATOM 109 CB LEU A 15 0.537 -5.732 -3.964 1.00 0.00 C ATOM 110 CG LEU A 15 0.662 -4.950 -5.275 1.00 0.00 C ATOM 111 CD1 LEU A 15 1.554 -3.721 -5.097 1.00 0.00 C ATOM 112 CD2 LEU A 15 1.149 -5.854 -6.409 1.00 0.00 C ATOM 0 H LEU A 15 -0.101 -3.362 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.505 -5.913 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.451 -5.586 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.477 -6.794 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.328 -4.590 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.626 -3.184 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.124 -3.066 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.549 -4.036 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.229 -5.274 -7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.126 -6.265 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.440 -6.669 -6.555 1.00 0.00 H new ATOM 113 N ASN A 16 -0.249 -7.106 -1.457 1.00 0.00 N ATOM 114 CA ASN A 16 -0.076 -7.671 -0.130 1.00 0.00 C ATOM 115 C ASN A 16 -1.151 -7.110 0.803 1.00 0.00 C ATOM 116 O ASN A 16 -0.835 -6.444 1.790 1.00 0.00 O ATOM 117 CB ASN A 16 1.292 -7.305 0.450 1.00 0.00 C ATOM 118 CG ASN A 16 2.422 -7.887 -0.401 1.00 0.00 C ATOM 119 OD1 ASN A 16 3.253 -6.975 -0.894 1.00 0.00 O flip ATOM 120 ND2 ASN A 16 2.531 -9.087 -0.597 1.00 0.00 N flip ATOM 0 H ASN A 16 -0.165 -7.777 -2.221 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.155 -8.755 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.391 -6.221 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.370 -7.680 1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.857 -9.734 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.296 -9.443 -1.170 1.00 0.00 H new ATOM 121 N GLY A 17 -2.397 -7.397 0.460 1.00 0.00 N ATOM 122 CA GLY A 17 -3.519 -6.929 1.255 1.00 0.00 C ATOM 123 C GLY A 17 -3.360 -5.450 1.610 1.00 0.00 C ATOM 124 O GLY A 17 -3.638 -5.045 2.739 1.00 0.00 O ATOM 0 H GLY A 17 -2.655 -7.948 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.447 -7.076 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.594 -7.520 2.168 1.00 0.00 H new ATOM 125 N GLY A 18 -2.910 -4.682 0.629 1.00 0.00 N ATOM 126 CA GLY A 18 -2.710 -3.256 0.825 1.00 0.00 C ATOM 127 C GLY A 18 -3.990 -2.477 0.529 1.00 0.00 C ATOM 128 O GLY A 18 -4.728 -2.814 -0.396 1.00 0.00 O ATOM 0 H GLY A 18 -2.678 -5.020 -0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.394 -3.067 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.908 -2.905 0.175 1.00 0.00 H new ATOM 129 N VAL A 19 -4.218 -1.448 1.332 1.00 0.00 N ATOM 130 CA VAL A 19 -5.400 -0.616 1.169 1.00 0.00 C ATOM 131 C VAL A 19 -5.159 0.385 0.036 1.00 0.00 C ATOM 132 O VAL A 19 -4.037 0.519 -0.450 1.00 0.00 O ATOM 133 CB VAL A 19 -5.756 0.055 2.495 1.00 0.00 C ATOM 134 CG1 VAL A 19 -5.568 1.572 2.411 1.00 0.00 C ATOM 135 CG2 VAL A 19 -7.183 -0.296 2.923 1.00 0.00 C ATOM 0 H VAL A 19 -3.604 -1.171 2.098 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.260 -1.224 0.889 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.074 -0.326 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.828 2.024 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.528 1.797 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.214 1.976 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.410 0.195 3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.885 0.043 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.272 -1.376 3.044 1.00 0.00 H new ATOM 136 N CYS A 20 -6.231 1.062 -0.350 1.00 0.00 N ATOM 137 CA CYS A 20 -6.150 2.046 -1.415 1.00 0.00 C ATOM 138 C CYS A 20 -6.418 3.429 -0.814 1.00 0.00 C ATOM 139 O CYS A 20 -7.306 3.583 0.024 1.00 0.00 O ATOM 140 CB CYS A 20 -7.115 1.725 -2.558 1.00 0.00 C ATOM 141 SG CYS A 20 -6.454 2.041 -4.234 1.00 0.00 S ATOM 0 H CYS A 20 -7.160 0.948 0.056 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.152 2.028 -1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.402 0.676 -2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.023 2.313 -2.424 1.00 0.00 H new ATOM 142 N MET A 21 -5.634 4.396 -1.264 1.00 0.00 N ATOM 143 CA MET A 21 -5.776 5.760 -0.780 1.00 0.00 C ATOM 144 C MET A 21 -5.258 6.764 -1.812 1.00 0.00 C ATOM 145 O MET A 21 -4.165 6.598 -2.351 1.00 0.00 O ATOM 146 CB MET A 21 -4.995 5.921 0.527 1.00 0.00 C ATOM 147 CG MET A 21 -5.942 5.971 1.727 1.00 0.00 C ATOM 148 SD MET A 21 -5.138 6.771 3.106 1.00 0.00 S ATOM 149 CE MET A 21 -6.437 7.880 3.622 1.00 0.00 C ATOM 0 H MET A 21 -4.898 4.264 -1.958 1.00 0.00 H new ATOM 0 HA MET A 21 -6.834 5.957 -0.608 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.298 5.091 0.643 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.400 6.834 0.490 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.851 6.512 1.462 1.00 0.00 H new ATOM 0 HG3 MET A 21 -6.242 4.961 2.006 1.00 0.00 H new ATOM 0 HE1 MET A 21 -6.100 8.461 4.481 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.686 8.555 2.803 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.320 7.303 3.898 1.00 0.00 H new ATOM 150 N HIS A 22 -6.067 7.783 -2.055 1.00 0.00 N ATOM 151 CA HIS A 22 -5.704 8.816 -3.012 1.00 0.00 C ATOM 152 C HIS A 22 -5.066 9.996 -2.278 1.00 0.00 C ATOM 153 O HIS A 22 -5.360 10.238 -1.108 1.00 0.00 O ATOM 154 CB HIS A 22 -6.915 9.226 -3.854 1.00 0.00 C ATOM 155 CG HIS A 22 -6.589 10.192 -4.967 1.00 0.00 C ATOM 156 ND1 HIS A 22 -5.558 10.208 -5.860 1.00 0.00 N flip ATOM 157 CD2 HIS A 22 -7.373 11.295 -5.256 1.00 0.00 C flip ATOM 158 CE1 HIS A 22 -5.705 11.264 -6.651 1.00 0.00 C flip ATOM 159 NE2 HIS A 22 -6.829 11.940 -6.277 1.00 0.00 N flip ATOM 0 H HIS A 22 -6.973 7.917 -1.606 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.964 8.425 -3.710 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.366 8.331 -4.283 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.662 9.678 -3.202 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -4.802 9.525 -5.911 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.276 11.581 -4.737 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.043 11.542 -7.458 1.00 0.00 H new ATOM 160 N ILE A 23 -4.203 10.701 -2.994 1.00 0.00 N ATOM 161 CA ILE A 23 -3.520 11.850 -2.426 1.00 0.00 C ATOM 162 C ILE A 23 -3.963 13.118 -3.161 1.00 0.00 C ATOM 163 O ILE A 23 -4.618 13.038 -4.200 1.00 0.00 O ATOM 164 CB ILE A 23 -2.006 11.632 -2.436 1.00 0.00 C ATOM 165 CG1 ILE A 23 -1.665 10.160 -2.670 1.00 0.00 C ATOM 166 CG2 ILE A 23 -1.366 12.171 -1.154 1.00 0.00 C ATOM 167 CD1 ILE A 23 -0.170 9.903 -2.468 1.00 0.00 C ATOM 0 H ILE A 23 -3.961 10.498 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.795 11.976 -1.379 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.586 12.196 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.240 9.537 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.953 9.873 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.289 12.003 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.565 13.239 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.788 11.654 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.044 8.848 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.402 10.509 -3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.110 10.168 -1.449 1.00 0.00 H new ATOM 168 N GLU A 24 -3.589 14.254 -2.594 1.00 0.00 N ATOM 169 CA GLU A 24 -3.939 15.535 -3.182 1.00 0.00 C ATOM 170 C GLU A 24 -2.677 16.352 -3.467 1.00 0.00 C ATOM 171 O GLU A 24 -1.563 15.880 -3.240 1.00 0.00 O ATOM 172 CB GLU A 24 -4.900 16.308 -2.278 1.00 0.00 C ATOM 173 CG GLU A 24 -6.331 15.787 -2.426 1.00 0.00 C ATOM 174 CD GLU A 24 -7.207 16.792 -3.178 1.00 0.00 C ATOM 175 OE1 GLU A 24 -7.271 16.755 -4.415 1.00 0.00 O ATOM 176 OE2 GLU A 24 -7.836 17.635 -2.430 1.00 0.00 O ATOM 0 H GLU A 24 -3.046 14.314 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.450 15.351 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.581 16.216 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.867 17.368 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.322 14.837 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.756 15.595 -1.441 1.00 0.00 H new ATOM 177 N SER A 25 -2.894 17.564 -3.958 1.00 0.00 N ATOM 178 CA SER A 25 -1.787 18.450 -4.277 1.00 0.00 C ATOM 179 C SER A 25 -1.317 18.208 -5.711 1.00 0.00 C ATOM 180 O SER A 25 -0.820 19.120 -6.368 1.00 0.00 O ATOM 181 CB SER A 25 -0.626 18.255 -3.299 1.00 0.00 C ATOM 182 OG SER A 25 0.204 19.412 -3.218 1.00 0.00 O ATOM 0 H SER A 25 -3.819 17.953 -4.142 1.00 0.00 H new ATOM 0 HA SER A 25 -2.137 19.478 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.020 18.022 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.027 17.400 -3.613 1.00 0.00 H new ATOM 0 HG SER A 25 0.932 19.248 -2.583 1.00 0.00 H new ATOM 183 N LEU A 26 -1.491 16.972 -6.157 1.00 0.00 N ATOM 184 CA LEU A 26 -1.092 16.598 -7.502 1.00 0.00 C ATOM 185 C LEU A 26 -1.985 15.459 -7.997 1.00 0.00 C ATOM 186 O LEU A 26 -1.641 14.763 -8.951 1.00 0.00 O ATOM 187 CB LEU A 26 0.402 16.270 -7.547 1.00 0.00 C ATOM 188 CG LEU A 26 1.268 17.199 -8.399 1.00 0.00 C ATOM 189 CD1 LEU A 26 2.735 17.130 -7.971 1.00 0.00 C ATOM 190 CD2 LEU A 26 1.091 16.899 -9.890 1.00 0.00 C ATOM 0 H LEU A 26 -1.903 16.217 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.232 17.435 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.787 16.281 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.519 15.253 -7.921 1.00 0.00 H new ATOM 0 HG LEU A 26 0.933 18.223 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.328 17.800 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.824 17.431 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.100 16.110 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.718 17.573 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.382 15.868 -10.091 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.047 17.042 -10.168 1.00 0.00 H new ATOM 191 N ASP A 27 -3.117 15.303 -7.326 1.00 0.00 N ATOM 192 CA ASP A 27 -4.064 14.260 -7.685 1.00 0.00 C ATOM 193 C ASP A 27 -3.328 12.922 -7.783 1.00 0.00 C ATOM 194 O ASP A 27 -3.622 12.112 -8.661 1.00 0.00 O ATOM 195 CB ASP A 27 -4.707 14.547 -9.043 1.00 0.00 C ATOM 196 CG ASP A 27 -5.824 15.592 -9.021 1.00 0.00 C ATOM 197 OD1 ASP A 27 -5.427 16.817 -9.089 1.00 0.00 O ATOM 198 OD2 ASP A 27 -7.016 15.253 -8.944 1.00 0.00 O ATOM 0 H ASP A 27 -3.400 15.882 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.838 14.227 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.931 14.881 -9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.109 13.616 -9.442 1.00 0.00 H new ATOM 199 N SER A 28 -2.386 12.734 -6.871 1.00 0.00 N ATOM 200 CA SER A 28 -1.606 11.507 -6.845 1.00 0.00 C ATOM 201 C SER A 28 -2.349 10.433 -6.050 1.00 0.00 C ATOM 202 O SER A 28 -3.169 10.747 -5.187 1.00 0.00 O ATOM 203 CB SER A 28 -0.221 11.749 -6.242 1.00 0.00 C ATOM 204 OG SER A 28 0.342 10.555 -5.704 1.00 0.00 O ATOM 0 H SER A 28 -2.145 13.409 -6.145 1.00 0.00 H new ATOM 0 HA SER A 28 -1.472 11.164 -7.871 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.443 12.150 -7.008 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.294 12.502 -5.457 1.00 0.00 H new ATOM 0 HG SER A 28 1.227 10.750 -5.330 1.00 0.00 H new ATOM 205 N TYR A 29 -2.038 9.185 -6.369 1.00 0.00 N ATOM 206 CA TYR A 29 -2.666 8.060 -5.695 1.00 0.00 C ATOM 207 C TYR A 29 -1.634 7.233 -4.928 1.00 0.00 C ATOM 208 O TYR A 29 -0.471 7.163 -5.324 1.00 0.00 O ATOM 209 CB TYR A 29 -3.277 7.196 -6.799 1.00 0.00 C ATOM 210 CG TYR A 29 -4.690 7.616 -7.210 1.00 0.00 C ATOM 211 CD1 TYR A 29 -5.785 7.073 -6.568 1.00 0.00 C ATOM 212 CD2 TYR A 29 -4.869 8.537 -8.222 1.00 0.00 C ATOM 213 CE1 TYR A 29 -7.115 7.471 -6.955 1.00 0.00 C ATOM 214 CE2 TYR A 29 -6.197 8.934 -8.609 1.00 0.00 C ATOM 215 CZ TYR A 29 -7.255 8.381 -7.956 1.00 0.00 C ATOM 216 OH TYR A 29 -8.510 8.755 -8.323 1.00 0.00 O ATOM 0 H TYR A 29 -1.359 8.928 -7.085 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.409 8.409 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.629 7.233 -7.675 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.301 6.159 -6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.645 6.351 -5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.012 8.960 -8.724 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.981 7.056 -6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.350 9.654 -9.399 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.457 9.411 -9.049 1.00 0.00 H new ATOM 217 N THR A 30 -2.094 6.627 -3.844 1.00 0.00 N ATOM 218 CA THR A 30 -1.224 5.807 -3.018 1.00 0.00 C ATOM 219 C THR A 30 -1.960 4.548 -2.555 1.00 0.00 C ATOM 220 O THR A 30 -3.079 4.282 -2.991 1.00 0.00 O ATOM 221 CB THR A 30 -0.716 6.672 -1.864 1.00 0.00 C ATOM 222 OG1 THR A 30 0.126 5.797 -1.117 1.00 0.00 O ATOM 223 CG2 THR A 30 -1.826 7.047 -0.879 1.00 0.00 C ATOM 0 H THR A 30 -3.059 6.687 -3.518 1.00 0.00 H new ATOM 0 HA THR A 30 -0.361 5.453 -3.582 1.00 0.00 H new ATOM 0 HB THR A 30 -0.263 7.579 -2.265 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.291 5.600 -0.252 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.411 7.661 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.602 7.607 -1.401 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.257 6.140 -0.454 1.00 0.00 H new ATOM 224 N CYS A 31 -1.301 3.805 -1.678 1.00 0.00 N ATOM 225 CA CYS A 31 -1.879 2.579 -1.153 1.00 0.00 C ATOM 226 C CYS A 31 -1.182 2.250 0.170 1.00 0.00 C ATOM 227 O CYS A 31 0.017 2.479 0.318 1.00 0.00 O ATOM 228 CB CYS A 31 -1.773 1.429 -2.154 1.00 0.00 C ATOM 229 SG CYS A 31 -3.206 1.259 -3.281 1.00 0.00 S ATOM 0 H CYS A 31 -0.373 4.028 -1.318 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.945 2.722 -0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.872 1.568 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.649 0.497 -1.603 1.00 0.00 H new ATOM 230 N ASN A 32 -1.964 1.716 1.098 1.00 0.00 N ATOM 231 CA ASN A 32 -1.438 1.352 2.401 1.00 0.00 C ATOM 232 C ASN A 32 -1.046 -0.127 2.395 1.00 0.00 C ATOM 233 O ASN A 32 -1.655 -0.931 1.691 1.00 0.00 O ATOM 234 CB ASN A 32 -2.487 1.559 3.496 1.00 0.00 C ATOM 235 CG ASN A 32 -2.816 3.042 3.667 1.00 0.00 C ATOM 236 OD1 ASN A 32 -2.118 3.919 3.185 1.00 0.00 O ATOM 237 ND2 ASN A 32 -3.913 3.274 4.382 1.00 0.00 N ATOM 0 H ASN A 32 -2.958 1.527 0.972 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.574 1.985 2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.394 1.008 3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.119 1.154 4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.215 4.233 4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.452 2.493 4.757 1.00 0.00 H new ATOM 238 N CYS A 33 -0.030 -0.442 3.185 1.00 0.00 N ATOM 239 CA CYS A 33 0.448 -1.809 3.278 1.00 0.00 C ATOM 240 C CYS A 33 0.296 -2.274 4.728 1.00 0.00 C ATOM 241 O CYS A 33 -0.487 -1.704 5.487 1.00 0.00 O ATOM 242 CB CYS A 33 1.894 -1.936 2.788 1.00 0.00 C ATOM 243 SG CYS A 33 2.241 -3.444 1.812 1.00 0.00 S ATOM 0 H CYS A 33 0.475 0.227 3.766 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.147 -2.450 2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.136 -1.063 2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.559 -1.918 3.652 1.00 0.00 H new ATOM 244 N VAL A 34 1.055 -3.305 5.069 1.00 0.00 N ATOM 245 CA VAL A 34 1.014 -3.853 6.414 1.00 0.00 C ATOM 246 C VAL A 34 2.386 -4.430 6.768 1.00 0.00 C ATOM 247 O VAL A 34 3.188 -4.723 5.883 1.00 0.00 O ATOM 248 CB VAL A 34 -0.114 -4.881 6.525 1.00 0.00 C ATOM 249 CG1 VAL A 34 -1.322 -4.464 5.682 1.00 0.00 C ATOM 250 CG2 VAL A 34 0.374 -6.276 6.130 1.00 0.00 C ATOM 0 H VAL A 34 1.702 -3.776 4.437 1.00 0.00 H new ATOM 0 HA VAL A 34 0.795 -3.069 7.139 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.430 -4.919 7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.109 -5.212 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.693 -3.500 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.025 -4.383 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.447 -6.987 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.730 -6.259 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.187 -6.577 6.790 1.00 0.00 H new ATOM 251 N ILE A 35 2.614 -4.576 8.065 1.00 0.00 N ATOM 252 CA ILE A 35 3.874 -5.113 8.548 1.00 0.00 C ATOM 253 C ILE A 35 4.385 -6.168 7.563 1.00 0.00 C ATOM 254 O ILE A 35 3.607 -6.975 7.056 1.00 0.00 O ATOM 255 CB ILE A 35 3.725 -5.628 9.979 1.00 0.00 C ATOM 256 CG1 ILE A 35 4.546 -4.786 10.957 1.00 0.00 C ATOM 257 CG2 ILE A 35 4.081 -7.114 10.066 1.00 0.00 C ATOM 258 CD1 ILE A 35 4.996 -5.617 12.157 1.00 0.00 C ATOM 0 H ILE A 35 1.947 -4.331 8.796 1.00 0.00 H new ATOM 0 HA ILE A 35 4.629 -4.328 8.595 1.00 0.00 H new ATOM 0 HB ILE A 35 2.679 -5.527 10.269 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.418 -4.378 10.446 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.952 -3.939 11.300 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.967 -7.456 11.095 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.417 -7.686 9.418 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.113 -7.260 9.748 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.577 -4.992 12.835 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.122 -6.004 12.680 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.611 -6.449 11.813 1.00 0.00 H new ATOM 259 N GLY A 36 5.687 -6.126 7.324 1.00 0.00 N ATOM 260 CA GLY A 36 6.309 -7.069 6.409 1.00 0.00 C ATOM 261 C GLY A 36 6.237 -6.562 4.967 1.00 0.00 C ATOM 262 O GLY A 36 7.144 -6.808 4.173 1.00 0.00 O ATOM 0 H GLY A 36 6.328 -5.455 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.350 -7.224 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.811 -8.036 6.484 1.00 0.00 H new ATOM 263 N TYR A 37 5.150 -5.866 4.672 1.00 0.00 N ATOM 264 CA TYR A 37 4.947 -5.323 3.340 1.00 0.00 C ATOM 265 C TYR A 37 4.749 -3.807 3.389 1.00 0.00 C ATOM 266 O TYR A 37 4.109 -3.290 4.303 1.00 0.00 O ATOM 267 CB TYR A 37 3.668 -5.975 2.809 1.00 0.00 C ATOM 268 CG TYR A 37 3.683 -7.505 2.858 1.00 0.00 C ATOM 269 CD1 TYR A 37 3.244 -8.163 3.989 1.00 0.00 C ATOM 270 CD2 TYR A 37 4.134 -8.224 1.772 1.00 0.00 C ATOM 271 CE1 TYR A 37 3.257 -9.601 4.035 1.00 0.00 C ATOM 272 CE2 TYR A 37 4.149 -9.665 1.818 1.00 0.00 C ATOM 273 CZ TYR A 37 3.709 -10.281 2.948 1.00 0.00 C ATOM 274 OH TYR A 37 3.721 -11.640 2.991 1.00 0.00 O ATOM 0 H TYR A 37 4.400 -5.665 5.333 1.00 0.00 H new ATOM 0 HA TYR A 37 5.813 -5.524 2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.819 -5.611 3.388 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.511 -5.656 1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.891 -7.599 4.839 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.476 -7.708 0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.915 -10.128 4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.501 -10.241 0.975 1.00 0.00 H new ATOM 0 HH TYR A 37 4.068 -11.991 2.144 1.00 0.00 H new ATOM 275 N SER A 38 5.310 -3.136 2.394 1.00 0.00 N ATOM 276 CA SER A 38 5.203 -1.688 2.312 1.00 0.00 C ATOM 277 C SER A 38 5.454 -1.227 0.875 1.00 0.00 C ATOM 278 O SER A 38 5.675 -2.045 -0.015 1.00 0.00 O ATOM 279 CB SER A 38 6.187 -1.010 3.268 1.00 0.00 C ATOM 280 OG SER A 38 7.534 -1.131 2.822 1.00 0.00 O ATOM 0 H SER A 38 5.840 -3.568 1.637 1.00 0.00 H new ATOM 0 HA SER A 38 4.194 -1.400 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.930 0.045 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.092 -1.453 4.260 1.00 0.00 H new ATOM 0 HG SER A 38 7.983 -1.840 3.327 1.00 0.00 H new ATOM 281 N GLY A 39 5.410 0.085 0.694 1.00 0.00 N ATOM 282 CA GLY A 39 5.631 0.666 -0.619 1.00 0.00 C ATOM 283 C GLY A 39 4.362 1.347 -1.136 1.00 0.00 C ATOM 284 O GLY A 39 3.262 1.047 -0.678 1.00 0.00 O ATOM 0 H GLY A 39 5.225 0.762 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.443 1.392 -0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.942 -0.111 -1.317 1.00 0.00 H new ATOM 285 N ASP A 40 4.559 2.254 -2.084 1.00 0.00 N ATOM 286 CA ASP A 40 3.444 2.980 -2.667 1.00 0.00 C ATOM 287 C ASP A 40 2.236 2.048 -2.779 1.00 0.00 C ATOM 288 O ASP A 40 1.094 2.488 -2.656 1.00 0.00 O ATOM 289 CB ASP A 40 3.787 3.480 -4.072 1.00 0.00 C ATOM 290 CG ASP A 40 2.696 4.311 -4.748 1.00 0.00 C ATOM 291 OD1 ASP A 40 2.530 5.493 -4.261 1.00 0.00 O ATOM 292 OD2 ASP A 40 2.036 3.851 -5.693 1.00 0.00 O ATOM 0 H ASP A 40 5.474 2.501 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 40 3.224 3.832 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.696 4.079 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.010 2.620 -4.703 1.00 0.00 H new ATOM 293 N ARG A 41 2.529 0.776 -3.008 1.00 0.00 N ATOM 294 CA ARG A 41 1.481 -0.222 -3.138 1.00 0.00 C ATOM 295 C ARG A 41 1.681 -1.337 -2.110 1.00 0.00 C ATOM 296 O ARG A 41 0.744 -1.715 -1.409 1.00 0.00 O ATOM 297 CB ARG A 41 1.467 -0.828 -4.542 1.00 0.00 C ATOM 298 CG ARG A 41 1.605 0.260 -5.611 1.00 0.00 C ATOM 299 CD ARG A 41 1.356 -0.309 -7.008 1.00 0.00 C ATOM 300 NE ARG A 41 2.613 -0.862 -7.561 1.00 0.00 N ATOM 301 CZ ARG A 41 3.428 -0.192 -8.403 1.00 0.00 C ATOM 302 NH1 ARG A 41 3.212 -0.228 -9.737 1.00 0.00 N ATOM 303 NH2 ARG A 41 4.438 0.496 -7.906 1.00 0.00 N ATOM 0 H ARG A 41 3.477 0.414 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 41 0.527 0.274 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.282 -1.545 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.538 -1.378 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.897 1.064 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.603 0.696 -5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.595 -1.088 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.973 0.472 -7.665 1.00 0.00 H new ATOM 0 HE ARG A 41 2.880 -1.808 -7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.429 -0.764 -10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.832 0.281 -10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.594 0.516 -6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.063 1.007 -8.529 1.00 0.00 H new ATOM 304 N CYS A 42 2.907 -1.833 -2.054 1.00 0.00 N ATOM 305 CA CYS A 42 3.243 -2.899 -1.125 1.00 0.00 C ATOM 306 C CYS A 42 4.420 -3.688 -1.703 1.00 0.00 C ATOM 307 O CYS A 42 4.467 -4.912 -1.588 1.00 0.00 O ATOM 308 CB CYS A 42 2.039 -3.798 -0.837 1.00 0.00 C ATOM 309 SG CYS A 42 1.143 -3.408 0.711 1.00 0.00 S ATOM 0 H CYS A 42 3.682 -1.516 -2.637 1.00 0.00 H new ATOM 0 HA CYS A 42 3.531 -2.471 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.342 -3.726 -1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.378 -4.833 -0.793 1.00 0.00 H new ATOM 310 N GLN A 43 5.341 -2.955 -2.310 1.00 0.00 N ATOM 311 CA GLN A 43 6.515 -3.572 -2.905 1.00 0.00 C ATOM 312 C GLN A 43 7.227 -4.456 -1.880 1.00 0.00 C ATOM 313 O GLN A 43 7.449 -5.641 -2.126 1.00 0.00 O ATOM 314 CB GLN A 43 7.464 -2.513 -3.468 1.00 0.00 C ATOM 315 CG GLN A 43 8.837 -2.596 -2.800 1.00 0.00 C ATOM 316 CD GLN A 43 9.852 -1.701 -3.517 1.00 0.00 C ATOM 317 OE1 GLN A 43 10.209 -1.920 -4.664 1.00 0.00 O ATOM 318 NE2 GLN A 43 10.293 -0.686 -2.780 1.00 0.00 N ATOM 0 H GLN A 43 5.299 -1.940 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 43 6.190 -4.200 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.570 -2.650 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.040 -1.521 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.756 -2.295 -1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.187 -3.628 -2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.952 -0.562 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.972 -0.031 -3.168 1.00 0.00 H new ATOM 319 N THR A 44 7.566 -3.848 -0.754 1.00 0.00 N ATOM 320 CA THR A 44 8.250 -4.565 0.308 1.00 0.00 C ATOM 321 C THR A 44 7.431 -5.784 0.740 1.00 0.00 C ATOM 322 O THR A 44 6.208 -5.709 0.845 1.00 0.00 O ATOM 323 CB THR A 44 8.518 -3.580 1.447 1.00 0.00 C ATOM 324 OG1 THR A 44 8.744 -2.338 0.785 1.00 0.00 O ATOM 325 CG2 THR A 44 9.838 -3.864 2.167 1.00 0.00 C ATOM 0 H THR A 44 7.380 -2.865 -0.553 1.00 0.00 H new ATOM 0 HA THR A 44 9.208 -4.958 -0.033 1.00 0.00 H new ATOM 0 HB THR A 44 7.697 -3.620 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.451 -1.602 1.362 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.980 -3.137 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.813 -4.868 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.663 -3.790 1.458 1.00 0.00 H new ATOM 326 N ARG A 45 8.139 -6.878 0.979 1.00 0.00 N ATOM 327 CA ARG A 45 7.493 -8.111 1.397 1.00 0.00 C ATOM 328 C ARG A 45 8.029 -8.554 2.759 1.00 0.00 C ATOM 329 O ARG A 45 9.196 -8.326 3.076 1.00 0.00 O ATOM 330 CB ARG A 45 7.726 -9.227 0.376 1.00 0.00 C ATOM 331 CG ARG A 45 6.615 -9.248 -0.677 1.00 0.00 C ATOM 332 CD ARG A 45 6.668 -10.533 -1.503 1.00 0.00 C ATOM 333 NE ARG A 45 5.572 -10.542 -2.497 1.00 0.00 N ATOM 334 CZ ARG A 45 4.967 -11.661 -2.949 1.00 0.00 C ATOM 335 NH1 ARG A 45 3.913 -12.183 -2.287 1.00 0.00 N ATOM 336 NH2 ARG A 45 5.421 -12.237 -4.046 1.00 0.00 N ATOM 0 H ARG A 45 9.154 -6.936 0.891 1.00 0.00 H new ATOM 0 HA ARG A 45 6.423 -7.918 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.691 -9.084 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.766 -10.189 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.644 -9.165 -0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.716 -8.384 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.630 -10.610 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.583 -11.400 -0.848 1.00 0.00 H new ATOM 0 HE ARG A 45 5.253 -9.645 -2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.569 -11.732 -1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.461 -13.029 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.218 -11.836 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.975 -13.083 -4.400 1.00 0.00 H new ATOM 337 N ASP A 46 7.151 -9.180 3.529 1.00 0.00 N ATOM 338 CA ASP A 46 7.520 -9.658 4.851 1.00 0.00 C ATOM 339 C ASP A 46 8.989 -10.084 4.840 1.00 0.00 C ATOM 340 O ASP A 46 9.692 -9.927 5.838 1.00 0.00 O ATOM 341 CB ASP A 46 6.678 -10.870 5.253 1.00 0.00 C ATOM 342 CG ASP A 46 5.912 -10.716 6.568 1.00 0.00 C ATOM 343 OD1 ASP A 46 6.509 -10.561 7.642 1.00 0.00 O ATOM 344 OD2 ASP A 46 4.626 -10.762 6.458 1.00 0.00 O ATOM 0 H ASP A 46 6.184 -9.367 3.263 1.00 0.00 H new ATOM 0 HA ASP A 46 7.350 -8.850 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.964 -11.078 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.332 -11.739 5.330 1.00 0.00 H new ATOM 345 N LEU A 47 9.409 -10.618 3.703 1.00 0.00 N ATOM 346 CA LEU A 47 10.783 -11.069 3.550 1.00 0.00 C ATOM 347 C LEU A 47 11.722 -9.862 3.614 1.00 0.00 C ATOM 348 O LEU A 47 12.445 -9.585 2.659 1.00 0.00 O ATOM 349 CB LEU A 47 10.935 -11.901 2.275 1.00 0.00 C ATOM 350 CG LEU A 47 10.598 -13.389 2.401 1.00 0.00 C ATOM 351 CD1 LEU A 47 11.619 -14.109 3.284 1.00 0.00 C ATOM 352 CD2 LEU A 47 9.167 -13.586 2.903 1.00 0.00 C ATOM 0 H LEU A 47 8.823 -10.749 2.879 1.00 0.00 H new ATOM 0 HA LEU A 47 11.060 -11.732 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.297 -11.468 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.964 -11.810 1.926 1.00 0.00 H new ATOM 0 HG LEU A 47 10.656 -13.838 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.357 -15.164 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.612 -14.012 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.617 -13.665 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.953 -14.652 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.057 -13.119 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.469 -13.128 2.202 1.00 0.00 H new ATOM 353 N ARG A 48 11.679 -9.178 4.747 1.00 0.00 N ATOM 354 CA ARG A 48 12.517 -8.009 4.946 1.00 0.00 C ATOM 355 C ARG A 48 12.019 -7.197 6.144 1.00 0.00 C ATOM 356 O ARG A 48 11.294 -6.216 5.976 1.00 0.00 O ATOM 357 CB ARG A 48 12.523 -7.116 3.703 1.00 0.00 C ATOM 358 CG ARG A 48 13.857 -7.221 2.962 1.00 0.00 C ATOM 359 CD ARG A 48 13.764 -6.584 1.573 1.00 0.00 C ATOM 360 NE ARG A 48 15.083 -6.640 0.902 1.00 0.00 N ATOM 361 CZ ARG A 48 15.964 -5.617 0.879 1.00 0.00 C ATOM 362 NH1 ARG A 48 15.892 -4.672 -0.083 1.00 0.00 N ATOM 363 NH2 ARG A 48 16.896 -5.556 1.812 1.00 0.00 N ATOM 0 H ARG A 48 11.077 -9.411 5.537 1.00 0.00 H new ATOM 0 HA ARG A 48 13.532 -8.358 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.709 -7.406 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.344 -6.081 3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 48 14.638 -6.728 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.143 -8.268 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.019 -7.107 0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.434 -5.549 1.660 1.00 0.00 H new ATOM 0 HE ARG A 48 15.342 -7.505 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.168 -4.728 -0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.561 -3.902 -0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.942 -6.274 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 48 17.570 -4.790 1.810 1.00 0.00 H new ATOM 364 N TRP A 49 12.425 -7.635 7.326 1.00 0.00 N ATOM 365 CA TRP A 49 12.029 -6.961 8.552 1.00 0.00 C ATOM 366 C TRP A 49 12.433 -5.491 8.434 1.00 0.00 C ATOM 367 O TRP A 49 12.807 -5.031 7.357 1.00 0.00 O ATOM 368 CB TRP A 49 12.632 -7.654 9.775 1.00 0.00 C ATOM 369 CG TRP A 49 11.849 -7.419 11.070 1.00 0.00 C ATOM 370 CD1 TRP A 49 10.545 -7.149 11.208 1.00 0.00 C ATOM 371 CD2 TRP A 49 12.379 -7.447 12.411 1.00 0.00 C ATOM 372 NE1 TRP A 49 10.195 -7.001 12.534 1.00 0.00 N ATOM 373 CE2 TRP A 49 11.347 -7.189 13.290 1.00 0.00 C ATOM 374 CE3 TRP A 49 13.689 -7.684 12.868 1.00 0.00 C ATOM 375 CZ2 TRP A 49 11.516 -7.141 14.679 1.00 0.00 C ATOM 376 CZ3 TRP A 49 13.840 -7.633 14.260 1.00 0.00 C ATOM 377 CH2 TRP A 49 12.811 -7.373 15.157 1.00 0.00 C ATOM 0 H TRP A 49 13.025 -8.449 7.462 1.00 0.00 H new ATOM 0 HA TRP A 49 10.949 -7.013 8.692 1.00 0.00 H new ATOM 0 HB2 TRP A 49 12.685 -8.726 9.584 1.00 0.00 H new ATOM 0 HB3 TRP A 49 13.655 -7.303 9.912 1.00 0.00 H new ATOM 0 HD1 TRP A 49 9.853 -7.058 10.384 1.00 0.00 H new ATOM 0 HE1 TRP A 49 9.264 -6.792 12.894 1.00 0.00 H new ATOM 0 HE3 TRP A 49 14.512 -7.889 12.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 10.692 -6.936 15.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 14.826 -7.808 14.664 1.00 0.00 H new ATOM 0 HH2 TRP A 49 13.010 -7.350 16.218 1.00 0.00 H new ATOM 378 N TRP A 50 12.348 -4.795 9.559 1.00 0.00 N ATOM 379 CA TRP A 50 12.699 -3.386 9.596 1.00 0.00 C ATOM 380 C TRP A 50 13.019 -3.018 11.046 1.00 0.00 C ATOM 381 O TRP A 50 14.163 -2.709 11.374 1.00 0.00 O ATOM 382 CB TRP A 50 11.588 -2.527 8.992 1.00 0.00 C ATOM 383 CG TRP A 50 10.442 -3.333 8.380 1.00 0.00 C ATOM 384 CD1 TRP A 50 9.889 -4.462 8.841 1.00 0.00 C ATOM 385 CD2 TRP A 50 9.723 -3.022 7.167 1.00 0.00 C ATOM 386 NE1 TRP A 50 8.871 -4.903 8.017 1.00 0.00 N ATOM 387 CE2 TRP A 50 8.768 -3.998 6.967 1.00 0.00 C ATOM 388 CE3 TRP A 50 9.876 -1.953 6.267 1.00 0.00 C ATOM 389 CZ2 TRP A 50 7.892 -4.001 5.874 1.00 0.00 C ATOM 390 CZ3 TRP A 50 8.993 -1.971 5.180 1.00 0.00 C ATOM 391 CH2 TRP A 50 8.025 -2.946 4.966 1.00 0.00 C ATOM 0 H TRP A 50 12.041 -5.181 10.452 1.00 0.00 H new ATOM 0 HA TRP A 50 13.580 -3.192 8.984 1.00 0.00 H new ATOM 0 HB2 TRP A 50 11.186 -1.874 9.767 1.00 0.00 H new ATOM 0 HB3 TRP A 50 12.017 -1.884 8.224 1.00 0.00 H new ATOM 0 HD1 TRP A 50 10.200 -4.965 9.745 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.301 -5.738 8.154 1.00 0.00 H new ATOM 0 HE3 TRP A 50 10.616 -1.179 6.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 7.153 -4.777 5.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 9.069 -1.172 4.458 1.00 0.00 H new ATOM 0 HH2 TRP A 50 7.379 -2.889 4.102 1.00 0.00 H new ATOM 392 N GLU A 51 11.987 -3.062 11.876 1.00 0.00 N ATOM 393 CA GLU A 51 12.143 -2.734 13.282 1.00 0.00 C ATOM 394 C GLU A 51 11.055 -3.422 14.112 1.00 0.00 C ATOM 395 O GLU A 51 11.179 -4.597 14.453 1.00 0.00 O ATOM 396 CB GLU A 51 12.122 -1.220 13.500 1.00 0.00 C ATOM 397 CG GLU A 51 11.160 -0.539 12.527 1.00 0.00 C ATOM 398 CD GLU A 51 11.914 0.375 11.559 1.00 0.00 C ATOM 399 OE1 GLU A 51 12.397 1.448 12.087 1.00 0.00 O ATOM 400 OE2 GLU A 51 12.021 0.060 10.364 1.00 0.00 O ATOM 0 H GLU A 51 11.039 -3.320 11.601 1.00 0.00 H new ATOM 0 HA GLU A 51 13.114 -3.101 13.613 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.823 -1.001 14.525 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.126 -0.816 13.367 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.610 -1.294 11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.425 0.042 13.084 1.00 0.00 H new ATOM 401 N LEU A 52 10.012 -2.660 14.409 1.00 0.00 N ATOM 402 CA LEU A 52 8.905 -3.181 15.190 1.00 0.00 C ATOM 403 C LEU A 52 7.638 -2.386 14.863 1.00 0.00 C ATOM 404 O LEU A 52 7.708 -1.334 14.229 1.00 0.00 O ATOM 405 CB LEU A 52 9.256 -3.190 16.680 1.00 0.00 C ATOM 406 CG LEU A 52 8.856 -1.944 17.471 1.00 0.00 C ATOM 407 CD1 LEU A 52 9.400 -0.676 16.811 1.00 0.00 C ATOM 408 CD2 LEU A 52 7.339 -1.881 17.666 1.00 0.00 C ATOM 0 H LEU A 52 9.911 -1.686 14.122 1.00 0.00 H new ATOM 0 HA LEU A 52 8.709 -4.220 14.926 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.780 -4.056 17.140 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.333 -3.328 16.778 1.00 0.00 H new ATOM 0 HG LEU A 52 9.307 -2.011 18.461 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.101 0.195 17.394 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.488 -0.727 16.767 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.000 -0.591 15.801 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.082 -0.985 18.231 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.848 -1.850 16.693 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.005 -2.763 18.212 1.00 0.00 H new ATOM 409 N ARG A 53 6.512 -2.920 15.309 1.00 0.00 N ATOM 410 CA ARG A 53 5.230 -2.274 15.072 1.00 0.00 C ATOM 411 C ARG A 53 4.266 -2.570 16.221 1.00 0.00 C ATOM 412 O ARG A 53 4.549 -2.243 17.374 1.00 0.00 O ATOM 413 CB ARG A 53 4.609 -2.750 13.758 1.00 0.00 C ATOM 414 CG ARG A 53 3.662 -1.695 13.185 1.00 0.00 C ATOM 415 CD ARG A 53 4.370 -0.834 12.137 1.00 0.00 C ATOM 416 NE ARG A 53 3.481 0.269 11.705 1.00 0.00 N ATOM 417 CZ ARG A 53 3.499 1.510 12.237 1.00 0.00 C ATOM 418 NH1 ARG A 53 3.750 1.686 13.551 1.00 0.00 N ATOM 419 NH2 ARG A 53 3.268 2.545 11.453 1.00 0.00 N ATOM 420 OXT ARG A 53 3.176 -3.168 15.878 1.00 0.00 O ATOM 0 H ARG A 53 6.459 -3.793 15.834 1.00 0.00 H new ATOM 0 HA ARG A 53 5.406 -1.200 15.009 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.397 -2.966 13.037 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.065 -3.680 13.925 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.797 -2.183 12.736 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.288 -1.061 13.989 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.293 -0.428 12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.648 -1.446 11.279 1.00 0.00 H new ATOM 0 HE ARG A 53 2.813 0.079 10.958 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.928 0.879 14.149 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.762 2.626 13.946 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.079 2.401 10.461 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.278 3.489 11.839 1.00 0.00 H new TER 421 ARG A 53