USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=15 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 MET CE :methyl 136:sc= -2.05 (180deg=-4.42!) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ -117:sc= 0.151 (180deg=-0.0413) 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 149:sc= -0.759! USER MOD Single : A 13 TYR OH : rot 131:sc= 1.14 USER MOD Single : A 16 ASN : amide:sc= -6.82! C(o=-6.8!,f=-13!) USER MOD Single : A 22 HIS : no HD1:sc= -18.5! C(o=-18!,f=-17!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -109:sc= 0.148! USER MOD Single : A 32 ASN : amide:sc= -5.12 K(o=-5.1,f=-23!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -125:sc= -2.55! USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.273 16.593 1.039 1.00 0.00 N ATOM 2 CA ASN A 1 -3.420 16.141 1.806 1.00 0.00 C ATOM 3 C ASN A 1 -3.715 14.679 1.458 1.00 0.00 C ATOM 4 O ASN A 1 -3.180 14.149 0.485 1.00 0.00 O ATOM 5 CB ASN A 1 -4.665 16.965 1.474 1.00 0.00 C ATOM 6 CG ASN A 1 -4.756 18.203 2.369 1.00 0.00 C ATOM 7 OD1 ASN A 1 -4.165 19.237 2.107 1.00 0.00 O ATOM 8 ND2 ASN A 1 -5.529 18.040 3.439 1.00 0.00 N ATOM 0 H1 ASN A 1 -1.499 16.842 1.687 1.00 0.00 H new ATOM 0 H2 ASN A 1 -1.960 15.833 0.402 1.00 0.00 H new ATOM 0 H3 ASN A 1 -2.538 17.428 0.478 1.00 0.00 H new ATOM 0 HA ASN A 1 -3.184 16.255 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -4.636 17.269 0.428 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -5.557 16.352 1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -5.655 18.808 4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -5.996 17.147 3.600 1.00 0.00 H new ATOM 9 N SER A 2 -4.566 14.070 2.272 1.00 0.00 N ATOM 10 CA SER A 2 -4.937 12.682 2.063 1.00 0.00 C ATOM 11 C SER A 2 -6.423 12.585 1.708 1.00 0.00 C ATOM 12 O SER A 2 -7.251 13.278 2.300 1.00 0.00 O ATOM 13 CB SER A 2 -4.630 11.836 3.299 1.00 0.00 C ATOM 14 OG SER A 2 -3.244 11.521 3.400 1.00 0.00 O ATOM 0 H SER A 2 -5.008 14.513 3.077 1.00 0.00 H new ATOM 0 HA SER A 2 -4.346 12.292 1.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.946 12.373 4.193 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.209 10.914 3.260 1.00 0.00 H new ATOM 0 HG SER A 2 -3.089 10.981 4.203 1.00 0.00 H new ATOM 15 N TYR A 3 -6.716 11.721 0.748 1.00 0.00 N ATOM 16 CA TYR A 3 -8.087 11.526 0.310 1.00 0.00 C ATOM 17 C TYR A 3 -8.328 10.074 -0.106 1.00 0.00 C ATOM 18 O TYR A 3 -7.537 9.499 -0.852 1.00 0.00 O ATOM 19 CB TYR A 3 -8.273 12.431 -0.910 1.00 0.00 C ATOM 20 CG TYR A 3 -9.654 12.324 -1.559 1.00 0.00 C ATOM 21 CD1 TYR A 3 -10.024 11.161 -2.203 1.00 0.00 C ATOM 22 CD2 TYR A 3 -10.528 13.389 -1.502 1.00 0.00 C ATOM 23 CE1 TYR A 3 -11.325 11.059 -2.815 1.00 0.00 C ATOM 24 CE2 TYR A 3 -11.828 13.289 -2.114 1.00 0.00 C ATOM 25 CZ TYR A 3 -12.162 12.128 -2.740 1.00 0.00 C ATOM 26 OH TYR A 3 -13.389 12.032 -3.318 1.00 0.00 O ATOM 0 H TYR A 3 -6.027 11.148 0.261 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.784 11.760 1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.102 13.465 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.514 12.184 -1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.339 10.327 -2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -10.238 14.299 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.628 10.154 -3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.521 14.116 -2.077 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.880 12.870 -3.185 1.00 0.00 H new ATOM 27 N PRO A 4 -9.452 9.507 0.407 1.00 0.00 N ATOM 28 CA PRO A 4 -9.808 8.133 0.097 1.00 0.00 C ATOM 29 C PRO A 4 -10.357 8.017 -1.326 1.00 0.00 C ATOM 30 O PRO A 4 -11.453 8.497 -1.613 1.00 0.00 O ATOM 31 CB PRO A 4 -10.822 7.740 1.159 1.00 0.00 C ATOM 32 CG PRO A 4 -11.344 9.044 1.740 1.00 0.00 C ATOM 33 CD PRO A 4 -10.414 10.159 1.294 1.00 0.00 C ATOM 0 HA PRO A 4 -8.950 7.461 0.117 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.632 7.153 0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.360 7.125 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.361 9.235 1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.380 8.990 2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.960 10.947 0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.916 10.624 2.145 1.00 0.00 H new ATOM 34 N GLY A 5 -9.571 7.377 -2.179 1.00 0.00 N ATOM 35 CA GLY A 5 -9.965 7.192 -3.566 1.00 0.00 C ATOM 36 C GLY A 5 -9.067 6.163 -4.257 1.00 0.00 C ATOM 37 O GLY A 5 -7.906 5.999 -3.888 1.00 0.00 O ATOM 0 H GLY A 5 -8.663 6.980 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.003 6.864 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.908 8.144 -4.094 1.00 0.00 H new ATOM 38 N CYS A 6 -9.640 5.498 -5.249 1.00 0.00 N ATOM 39 CA CYS A 6 -8.906 4.491 -5.996 1.00 0.00 C ATOM 40 C CYS A 6 -9.821 3.946 -7.095 1.00 0.00 C ATOM 41 O CYS A 6 -10.535 2.966 -6.885 1.00 0.00 O ATOM 42 CB CYS A 6 -8.386 3.377 -5.085 1.00 0.00 C ATOM 43 SG CYS A 6 -7.096 2.315 -5.831 1.00 0.00 S ATOM 0 H CYS A 6 -10.604 5.637 -5.553 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.023 4.943 -6.449 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.986 3.827 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -9.226 2.749 -4.787 1.00 0.00 H new ATOM 44 N PRO A 7 -9.770 4.623 -8.273 1.00 0.00 N ATOM 45 CA PRO A 7 -10.586 4.218 -9.405 1.00 0.00 C ATOM 46 C PRO A 7 -10.020 2.958 -10.065 1.00 0.00 C ATOM 47 O PRO A 7 -8.994 2.434 -9.635 1.00 0.00 O ATOM 48 CB PRO A 7 -10.594 5.420 -10.335 1.00 0.00 C ATOM 49 CG PRO A 7 -9.413 6.280 -9.915 1.00 0.00 C ATOM 50 CD PRO A 7 -8.938 5.788 -8.558 1.00 0.00 C ATOM 0 HA PRO A 7 -11.601 3.948 -9.116 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.500 5.109 -11.376 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.529 5.973 -10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.610 6.210 -10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.705 7.329 -9.860 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.881 5.523 -8.581 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.058 6.556 -7.794 1.00 0.00 H new ATOM 51 N SER A 8 -10.717 2.505 -11.099 1.00 0.00 N ATOM 52 CA SER A 8 -10.298 1.318 -11.822 1.00 0.00 C ATOM 53 C SER A 8 -9.402 1.711 -13.000 1.00 0.00 C ATOM 54 O SER A 8 -9.202 0.921 -13.921 1.00 0.00 O ATOM 55 CB SER A 8 -11.505 0.520 -12.316 1.00 0.00 C ATOM 56 OG SER A 8 -12.397 0.191 -11.254 1.00 0.00 O ATOM 0 H SER A 8 -11.569 2.940 -11.452 1.00 0.00 H new ATOM 0 HA SER A 8 -9.732 0.684 -11.140 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.038 1.098 -13.071 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.162 -0.395 -12.798 1.00 0.00 H new ATOM 0 HG SER A 8 -13.156 -0.317 -11.610 1.00 0.00 H new ATOM 57 N SER A 9 -8.887 2.930 -12.931 1.00 0.00 N ATOM 58 CA SER A 9 -8.019 3.435 -13.979 1.00 0.00 C ATOM 59 C SER A 9 -6.615 2.850 -13.823 1.00 0.00 C ATOM 60 O SER A 9 -5.827 2.855 -14.768 1.00 0.00 O ATOM 61 CB SER A 9 -7.963 4.965 -13.957 1.00 0.00 C ATOM 62 OG SER A 9 -9.230 5.548 -14.242 1.00 0.00 O ATOM 0 H SER A 9 -9.055 3.582 -12.165 1.00 0.00 H new ATOM 0 HA SER A 9 -8.428 3.127 -14.941 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.621 5.301 -12.978 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.232 5.312 -14.687 1.00 0.00 H new ATOM 0 HG SER A 9 -9.154 6.525 -14.217 1.00 0.00 H new ATOM 63 N TYR A 10 -6.342 2.359 -12.623 1.00 0.00 N ATOM 64 CA TYR A 10 -5.046 1.771 -12.331 1.00 0.00 C ATOM 65 C TYR A 10 -5.059 0.264 -12.579 1.00 0.00 C ATOM 66 O TYR A 10 -4.924 -0.185 -13.718 1.00 0.00 O ATOM 67 CB TYR A 10 -4.790 2.030 -10.845 1.00 0.00 C ATOM 68 CG TYR A 10 -4.394 3.472 -10.523 1.00 0.00 C ATOM 69 CD1 TYR A 10 -3.197 3.979 -10.987 1.00 0.00 C ATOM 70 CD2 TYR A 10 -5.234 4.267 -9.768 1.00 0.00 C ATOM 71 CE1 TYR A 10 -2.825 5.337 -10.683 1.00 0.00 C ATOM 72 CE2 TYR A 10 -4.861 5.624 -9.466 1.00 0.00 C ATOM 73 CZ TYR A 10 -3.676 6.092 -9.937 1.00 0.00 C ATOM 74 OH TYR A 10 -3.322 7.374 -9.651 1.00 0.00 O ATOM 0 H TYR A 10 -6.997 2.356 -11.841 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.276 2.204 -12.969 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.689 1.777 -10.283 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.000 1.362 -10.501 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.540 3.358 -11.578 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.170 3.871 -9.404 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.891 5.747 -11.039 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.509 6.256 -8.878 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.128 7.927 -9.577 1.00 0.00 H new ATOM 75 N ASP A 11 -5.225 -0.481 -11.496 1.00 0.00 N ATOM 76 CA ASP A 11 -5.258 -1.932 -11.581 1.00 0.00 C ATOM 77 C ASP A 11 -4.812 -2.527 -10.245 1.00 0.00 C ATOM 78 O ASP A 11 -3.630 -2.807 -10.048 1.00 0.00 O ATOM 79 CB ASP A 11 -4.308 -2.442 -12.667 1.00 0.00 C ATOM 80 CG ASP A 11 -4.984 -2.846 -13.979 1.00 0.00 C ATOM 81 OD1 ASP A 11 -5.914 -3.666 -13.990 1.00 0.00 O ATOM 82 OD2 ASP A 11 -4.509 -2.276 -15.034 1.00 0.00 O ATOM 0 H ASP A 11 -5.338 -0.107 -10.554 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.277 -2.232 -11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.572 -1.666 -12.879 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.762 -3.301 -12.277 1.00 0.00 H new ATOM 83 N GLY A 12 -5.781 -2.706 -9.359 1.00 0.00 N ATOM 84 CA GLY A 12 -5.504 -3.265 -8.047 1.00 0.00 C ATOM 85 C GLY A 12 -4.232 -2.657 -7.452 1.00 0.00 C ATOM 86 O GLY A 12 -3.373 -3.379 -6.944 1.00 0.00 O ATOM 0 H GLY A 12 -6.760 -2.473 -9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.347 -3.077 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.393 -4.347 -8.124 1.00 0.00 H new ATOM 87 N TYR A 13 -4.150 -1.337 -7.534 1.00 0.00 N ATOM 88 CA TYR A 13 -2.997 -0.625 -7.008 1.00 0.00 C ATOM 89 C TYR A 13 -2.455 -1.310 -5.753 1.00 0.00 C ATOM 90 O TYR A 13 -1.246 -1.323 -5.521 1.00 0.00 O ATOM 91 CB TYR A 13 -3.498 0.773 -6.637 1.00 0.00 C ATOM 92 CG TYR A 13 -2.483 1.886 -6.899 1.00 0.00 C ATOM 93 CD1 TYR A 13 -2.423 2.488 -8.140 1.00 0.00 C ATOM 94 CD2 TYR A 13 -1.629 2.292 -5.895 1.00 0.00 C ATOM 95 CE1 TYR A 13 -1.466 3.536 -8.386 1.00 0.00 C ATOM 96 CE2 TYR A 13 -0.673 3.341 -6.140 1.00 0.00 C ATOM 97 CZ TYR A 13 -0.640 3.911 -7.375 1.00 0.00 C ATOM 98 OH TYR A 13 0.263 4.902 -7.608 1.00 0.00 O ATOM 0 H TYR A 13 -4.863 -0.742 -7.956 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.193 -0.599 -7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.407 0.984 -7.201 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.768 0.783 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.093 2.173 -8.926 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.677 1.823 -4.924 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.406 4.013 -9.353 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.001 3.667 -5.362 1.00 0.00 H new ATOM 0 HH TYR A 13 0.211 5.567 -6.890 1.00 0.00 H new ATOM 99 N CYS A 14 -3.375 -1.861 -4.975 1.00 0.00 N ATOM 100 CA CYS A 14 -3.003 -2.545 -3.747 1.00 0.00 C ATOM 101 C CYS A 14 -3.093 -4.053 -3.992 1.00 0.00 C ATOM 102 O CYS A 14 -4.148 -4.564 -4.364 1.00 0.00 O ATOM 103 CB CYS A 14 -3.874 -2.107 -2.569 1.00 0.00 C ATOM 104 SG CYS A 14 -4.528 -0.402 -2.692 1.00 0.00 S ATOM 0 H CYS A 14 -4.376 -1.848 -5.170 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.981 -2.281 -3.476 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.713 -2.797 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.291 -2.192 -1.652 1.00 0.00 H new ATOM 105 N LEU A 15 -1.971 -4.725 -3.775 1.00 0.00 N ATOM 106 CA LEU A 15 -1.910 -6.164 -3.967 1.00 0.00 C ATOM 107 C LEU A 15 -1.356 -6.821 -2.702 1.00 0.00 C ATOM 108 O LEU A 15 -0.814 -6.140 -1.831 1.00 0.00 O ATOM 109 CB LEU A 15 -1.120 -6.501 -5.233 1.00 0.00 C ATOM 110 CG LEU A 15 -0.852 -5.337 -6.189 1.00 0.00 C ATOM 111 CD1 LEU A 15 0.487 -4.666 -5.874 1.00 0.00 C ATOM 112 CD2 LEU A 15 -0.936 -5.793 -7.646 1.00 0.00 C ATOM 0 H LEU A 15 -1.097 -4.299 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.909 -6.571 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.162 -6.929 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.660 -7.275 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.630 -4.588 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.653 -3.842 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.471 -4.283 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.292 -5.394 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.741 -4.946 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.194 -6.571 -7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.932 -6.187 -7.847 1.00 0.00 H new ATOM 113 N ASN A 16 -1.509 -8.134 -2.639 1.00 0.00 N ATOM 114 CA ASN A 16 -1.030 -8.890 -1.494 1.00 0.00 C ATOM 115 C ASN A 16 -2.039 -8.771 -0.352 1.00 0.00 C ATOM 116 O ASN A 16 -2.457 -9.777 0.221 1.00 0.00 O ATOM 117 CB ASN A 16 0.312 -8.348 -0.998 1.00 0.00 C ATOM 118 CG ASN A 16 1.224 -7.985 -2.171 1.00 0.00 C ATOM 119 OD1 ASN A 16 1.364 -6.833 -2.551 1.00 0.00 O ATOM 120 ND2 ASN A 16 1.836 -9.028 -2.725 1.00 0.00 N ATOM 0 H ASN A 16 -1.958 -8.695 -3.363 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.907 -9.928 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.146 -7.468 -0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.800 -9.094 -0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.465 -8.889 -3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.676 -9.967 -2.359 1.00 0.00 H new ATOM 121 N GLY A 17 -2.404 -7.533 -0.053 1.00 0.00 N ATOM 122 CA GLY A 17 -3.357 -7.270 1.012 1.00 0.00 C ATOM 123 C GLY A 17 -3.145 -5.875 1.603 1.00 0.00 C ATOM 124 O GLY A 17 -2.528 -5.733 2.660 1.00 0.00 O ATOM 0 H GLY A 17 -2.057 -6.701 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.373 -7.355 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.250 -8.021 1.795 1.00 0.00 H new ATOM 125 N GLY A 18 -3.669 -4.881 0.901 1.00 0.00 N ATOM 126 CA GLY A 18 -3.545 -3.503 1.346 1.00 0.00 C ATOM 127 C GLY A 18 -4.718 -2.658 0.847 1.00 0.00 C ATOM 128 O GLY A 18 -5.360 -3.004 -0.145 1.00 0.00 O ATOM 0 H GLY A 18 -4.181 -5.002 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.506 -3.471 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.608 -3.082 0.981 1.00 0.00 H new ATOM 129 N VAL A 19 -4.964 -1.568 1.558 1.00 0.00 N ATOM 130 CA VAL A 19 -6.050 -0.670 1.200 1.00 0.00 C ATOM 131 C VAL A 19 -5.553 0.334 0.159 1.00 0.00 C ATOM 132 O VAL A 19 -4.350 0.478 -0.045 1.00 0.00 O ATOM 133 CB VAL A 19 -6.612 0.000 2.455 1.00 0.00 C ATOM 134 CG1 VAL A 19 -8.048 0.474 2.228 1.00 0.00 C ATOM 135 CG2 VAL A 19 -6.528 -0.940 3.660 1.00 0.00 C ATOM 0 H VAL A 19 -4.430 -1.286 2.380 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.872 -1.226 0.750 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.001 0.877 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.423 0.946 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.069 1.193 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.677 -0.380 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.934 -0.441 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.104 -1.843 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.487 -1.206 3.842 1.00 0.00 H new ATOM 136 N CYS A 20 -6.507 1.001 -0.476 1.00 0.00 N ATOM 137 CA CYS A 20 -6.182 1.988 -1.492 1.00 0.00 C ATOM 138 C CYS A 20 -6.595 3.367 -0.973 1.00 0.00 C ATOM 139 O CYS A 20 -7.674 3.521 -0.405 1.00 0.00 O ATOM 140 CB CYS A 20 -6.845 1.660 -2.832 1.00 0.00 C ATOM 141 SG CYS A 20 -5.933 2.252 -4.303 1.00 0.00 S ATOM 0 H CYS A 20 -7.505 0.877 -0.306 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.108 1.979 -1.681 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.966 0.579 -2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.845 2.094 -2.843 1.00 0.00 H new ATOM 142 N MET A 21 -5.713 4.332 -1.186 1.00 0.00 N ATOM 143 CA MET A 21 -5.973 5.692 -0.746 1.00 0.00 C ATOM 144 C MET A 21 -5.380 6.706 -1.725 1.00 0.00 C ATOM 145 O MET A 21 -4.267 6.524 -2.215 1.00 0.00 O ATOM 146 CB MET A 21 -5.364 5.905 0.641 1.00 0.00 C ATOM 147 CG MET A 21 -3.893 6.313 0.539 1.00 0.00 C ATOM 148 SD MET A 21 -3.764 8.083 0.343 1.00 0.00 S ATOM 149 CE MET A 21 -4.741 8.621 1.737 1.00 0.00 C ATOM 0 H MET A 21 -4.818 4.199 -1.657 1.00 0.00 H new ATOM 0 HA MET A 21 -7.052 5.842 -0.705 1.00 0.00 H new ATOM 0 HB2 MET A 21 -5.922 6.676 1.173 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.451 4.989 1.225 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.356 5.998 1.434 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.425 5.810 -0.307 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.230 9.438 2.246 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.715 8.964 1.388 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.876 7.790 2.429 1.00 0.00 H new ATOM 150 N HIS A 22 -6.151 7.754 -1.981 1.00 0.00 N ATOM 151 CA HIS A 22 -5.715 8.798 -2.893 1.00 0.00 C ATOM 152 C HIS A 22 -4.961 9.878 -2.114 1.00 0.00 C ATOM 153 O HIS A 22 -5.278 10.150 -0.957 1.00 0.00 O ATOM 154 CB HIS A 22 -6.900 9.356 -3.684 1.00 0.00 C ATOM 155 CG HIS A 22 -6.503 10.259 -4.829 1.00 0.00 C ATOM 156 ND1 HIS A 22 -7.230 11.381 -5.185 1.00 0.00 N ATOM 157 CD2 HIS A 22 -5.449 10.191 -5.692 1.00 0.00 C ATOM 158 CE1 HIS A 22 -6.631 11.957 -6.217 1.00 0.00 C ATOM 159 NE2 HIS A 22 -5.528 11.217 -6.531 1.00 0.00 N ATOM 0 H HIS A 22 -7.074 7.902 -1.573 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.026 8.381 -3.627 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.486 8.525 -4.076 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.548 9.910 -3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.681 9.432 -5.693 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.958 12.854 -6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.872 11.419 -7.286 1.00 0.00 H new ATOM 160 N ILE A 23 -3.977 10.465 -2.781 1.00 0.00 N ATOM 161 CA ILE A 23 -3.175 11.509 -2.165 1.00 0.00 C ATOM 162 C ILE A 23 -3.497 12.851 -2.827 1.00 0.00 C ATOM 163 O ILE A 23 -3.940 12.889 -3.976 1.00 0.00 O ATOM 164 CB ILE A 23 -1.692 11.142 -2.211 1.00 0.00 C ATOM 165 CG1 ILE A 23 -1.505 9.638 -2.422 1.00 0.00 C ATOM 166 CG2 ILE A 23 -0.964 11.638 -0.962 1.00 0.00 C ATOM 167 CD1 ILE A 23 -0.035 9.298 -2.674 1.00 0.00 C ATOM 0 H ILE A 23 -3.717 10.238 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.423 11.606 -1.108 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.244 11.647 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.862 9.097 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.108 9.308 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.089 11.363 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.053 12.722 -0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.408 11.183 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.070 8.223 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.312 9.821 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.562 9.607 -1.816 1.00 0.00 H new ATOM 168 N GLU A 24 -3.264 13.916 -2.077 1.00 0.00 N ATOM 169 CA GLU A 24 -3.523 15.255 -2.578 1.00 0.00 C ATOM 170 C GLU A 24 -2.208 16.015 -2.768 1.00 0.00 C ATOM 171 O GLU A 24 -2.201 17.127 -3.291 1.00 0.00 O ATOM 172 CB GLU A 24 -4.466 16.016 -1.641 1.00 0.00 C ATOM 173 CG GLU A 24 -5.918 15.895 -2.109 1.00 0.00 C ATOM 174 CD GLU A 24 -6.861 16.650 -1.170 1.00 0.00 C ATOM 175 OE1 GLU A 24 -7.296 16.094 -0.150 1.00 0.00 O ATOM 176 OE2 GLU A 24 -7.136 17.857 -1.529 1.00 0.00 O ATOM 0 H GLU A 24 -2.898 13.880 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.014 15.171 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.373 15.624 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.178 17.067 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.012 16.291 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.204 14.844 -2.150 1.00 0.00 H new ATOM 177 N SER A 25 -1.129 15.382 -2.332 1.00 0.00 N ATOM 178 CA SER A 25 0.188 15.984 -2.449 1.00 0.00 C ATOM 179 C SER A 25 0.500 16.282 -3.917 1.00 0.00 C ATOM 180 O SER A 25 1.243 17.214 -4.222 1.00 0.00 O ATOM 181 CB SER A 25 1.265 15.075 -1.852 1.00 0.00 C ATOM 182 OG SER A 25 2.555 15.680 -1.887 1.00 0.00 O ATOM 0 H SER A 25 -1.140 14.459 -1.898 1.00 0.00 H new ATOM 0 HA SER A 25 0.187 16.918 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.005 14.834 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.291 14.134 -2.402 1.00 0.00 H new ATOM 0 HG SER A 25 3.214 15.069 -1.496 1.00 0.00 H new ATOM 183 N LEU A 26 -0.084 15.473 -4.788 1.00 0.00 N ATOM 184 CA LEU A 26 0.121 15.638 -6.217 1.00 0.00 C ATOM 185 C LEU A 26 -1.034 14.981 -6.973 1.00 0.00 C ATOM 186 O LEU A 26 -0.886 14.602 -8.134 1.00 0.00 O ATOM 187 CB LEU A 26 1.499 15.113 -6.623 1.00 0.00 C ATOM 188 CG LEU A 26 2.484 16.156 -7.160 1.00 0.00 C ATOM 189 CD1 LEU A 26 3.884 15.561 -7.313 1.00 0.00 C ATOM 190 CD2 LEU A 26 1.974 16.767 -8.467 1.00 0.00 C ATOM 0 H LEU A 26 -0.699 14.701 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 26 0.116 16.695 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.950 14.628 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.363 14.345 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 26 2.557 16.964 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.563 16.323 -7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.239 15.212 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.849 14.723 -8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.691 17.504 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.854 15.982 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.013 17.251 -8.292 1.00 0.00 H new ATOM 191 N ASP A 27 -2.160 14.865 -6.285 1.00 0.00 N ATOM 192 CA ASP A 27 -3.341 14.261 -6.877 1.00 0.00 C ATOM 193 C ASP A 27 -3.007 12.837 -7.331 1.00 0.00 C ATOM 194 O ASP A 27 -3.592 12.334 -8.289 1.00 0.00 O ATOM 195 CB ASP A 27 -3.808 15.049 -8.104 1.00 0.00 C ATOM 196 CG ASP A 27 -5.320 15.260 -8.198 1.00 0.00 C ATOM 197 OD1 ASP A 27 -5.776 16.251 -7.510 1.00 0.00 O ATOM 198 OD2 ASP A 27 -6.026 14.514 -8.894 1.00 0.00 O ATOM 0 H ASP A 27 -2.279 15.179 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.131 14.260 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.320 16.023 -8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.472 14.529 -9.001 1.00 0.00 H new ATOM 199 N SER A 28 -2.070 12.230 -6.619 1.00 0.00 N ATOM 200 CA SER A 28 -1.650 10.874 -6.936 1.00 0.00 C ATOM 201 C SER A 28 -2.348 9.880 -6.005 1.00 0.00 C ATOM 202 O SER A 28 -2.821 10.255 -4.934 1.00 0.00 O ATOM 203 CB SER A 28 -0.132 10.728 -6.827 1.00 0.00 C ATOM 204 OG SER A 28 0.318 9.459 -7.295 1.00 0.00 O ATOM 0 H SER A 28 -1.589 12.651 -5.824 1.00 0.00 H new ATOM 0 HA SER A 28 -1.935 10.659 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.350 11.518 -7.402 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.171 10.860 -5.788 1.00 0.00 H new ATOM 0 HG SER A 28 1.293 9.406 -7.210 1.00 0.00 H new ATOM 205 N TYR A 29 -2.387 8.632 -6.449 1.00 0.00 N ATOM 206 CA TYR A 29 -3.019 7.582 -5.668 1.00 0.00 C ATOM 207 C TYR A 29 -1.977 6.604 -5.121 1.00 0.00 C ATOM 208 O TYR A 29 -1.080 6.176 -5.845 1.00 0.00 O ATOM 209 CB TYR A 29 -3.942 6.837 -6.634 1.00 0.00 C ATOM 210 CG TYR A 29 -5.247 7.574 -6.943 1.00 0.00 C ATOM 211 CD1 TYR A 29 -5.262 8.584 -7.882 1.00 0.00 C ATOM 212 CD2 TYR A 29 -6.408 7.230 -6.280 1.00 0.00 C ATOM 213 CE1 TYR A 29 -6.489 9.280 -8.173 1.00 0.00 C ATOM 214 CE2 TYR A 29 -7.635 7.925 -6.570 1.00 0.00 C ATOM 215 CZ TYR A 29 -7.615 8.916 -7.503 1.00 0.00 C ATOM 216 OH TYR A 29 -8.774 9.572 -7.777 1.00 0.00 O ATOM 0 H TYR A 29 -1.992 8.325 -7.338 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.556 8.005 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.407 6.660 -7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.180 5.860 -6.213 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.353 8.853 -8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.396 6.440 -5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.514 10.073 -8.906 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.550 7.666 -6.059 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.496 9.206 -7.224 1.00 0.00 H new ATOM 217 N THR A 30 -2.130 6.278 -3.846 1.00 0.00 N ATOM 218 CA THR A 30 -1.213 5.358 -3.193 1.00 0.00 C ATOM 219 C THR A 30 -1.978 4.168 -2.609 1.00 0.00 C ATOM 220 O THR A 30 -3.183 4.035 -2.822 1.00 0.00 O ATOM 221 CB THR A 30 -0.421 6.144 -2.147 1.00 0.00 C ATOM 222 OG1 THR A 30 0.374 5.155 -1.498 1.00 0.00 O ATOM 223 CG2 THR A 30 -1.312 6.696 -1.032 1.00 0.00 C ATOM 0 H THR A 30 -2.875 6.634 -3.247 1.00 0.00 H new ATOM 0 HA THR A 30 -0.506 4.932 -3.904 1.00 0.00 H new ATOM 0 HB THR A 30 0.105 6.966 -2.632 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.038 5.010 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.701 7.245 -0.316 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.058 7.365 -1.460 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.812 5.871 -0.524 1.00 0.00 H new ATOM 224 N CYS A 31 -1.246 3.334 -1.885 1.00 0.00 N ATOM 225 CA CYS A 31 -1.840 2.160 -1.269 1.00 0.00 C ATOM 226 C CYS A 31 -1.061 1.841 0.009 1.00 0.00 C ATOM 227 O CYS A 31 0.101 2.219 0.141 1.00 0.00 O ATOM 228 CB CYS A 31 -1.869 0.971 -2.230 1.00 0.00 C ATOM 229 SG CYS A 31 -3.485 0.669 -3.032 1.00 0.00 S ATOM 0 H CYS A 31 -0.247 3.448 -1.711 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.880 2.366 -1.017 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.119 1.130 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.577 0.074 -1.684 1.00 0.00 H new ATOM 230 N ASN A 32 -1.736 1.151 0.917 1.00 0.00 N ATOM 231 CA ASN A 32 -1.121 0.779 2.181 1.00 0.00 C ATOM 232 C ASN A 32 -1.258 -0.732 2.384 1.00 0.00 C ATOM 233 O ASN A 32 -2.330 -1.295 2.171 1.00 0.00 O ATOM 234 CB ASN A 32 -1.809 1.478 3.354 1.00 0.00 C ATOM 235 CG ASN A 32 -3.313 1.200 3.353 1.00 0.00 C ATOM 236 OD1 ASN A 32 -3.851 0.559 2.465 1.00 0.00 O ATOM 237 ND2 ASN A 32 -3.961 1.718 4.393 1.00 0.00 N ATOM 0 H ASN A 32 -2.701 0.840 0.803 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.073 1.077 2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.373 1.135 4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.634 2.552 3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.969 1.589 4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.450 2.244 5.102 1.00 0.00 H new ATOM 238 N CYS A 33 -0.156 -1.343 2.791 1.00 0.00 N ATOM 239 CA CYS A 33 -0.139 -2.778 3.025 1.00 0.00 C ATOM 240 C CYS A 33 0.014 -3.017 4.529 1.00 0.00 C ATOM 241 O CYS A 33 -0.520 -2.261 5.339 1.00 0.00 O ATOM 242 CB CYS A 33 0.965 -3.468 2.221 1.00 0.00 C ATOM 243 SG CYS A 33 0.459 -5.026 1.406 1.00 0.00 S ATOM 0 H CYS A 33 0.732 -0.872 2.965 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.076 -3.217 2.682 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.327 -2.777 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.803 -3.677 2.886 1.00 0.00 H new ATOM 244 N VAL A 34 0.744 -4.073 4.855 1.00 0.00 N ATOM 245 CA VAL A 34 0.975 -4.422 6.247 1.00 0.00 C ATOM 246 C VAL A 34 2.396 -4.966 6.404 1.00 0.00 C ATOM 247 O VAL A 34 3.134 -5.075 5.426 1.00 0.00 O ATOM 248 CB VAL A 34 -0.098 -5.403 6.724 1.00 0.00 C ATOM 249 CG1 VAL A 34 -1.502 -4.853 6.461 1.00 0.00 C ATOM 250 CG2 VAL A 34 0.085 -6.775 6.070 1.00 0.00 C ATOM 0 H VAL A 34 1.183 -4.699 4.180 1.00 0.00 H new ATOM 0 HA VAL A 34 0.895 -3.539 6.881 1.00 0.00 H new ATOM 0 HB VAL A 34 0.016 -5.526 7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.245 -5.570 6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.629 -3.911 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.633 -4.686 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.690 -7.454 6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.011 -6.675 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.065 -7.175 6.331 1.00 0.00 H new ATOM 251 N ILE A 35 2.737 -5.293 7.641 1.00 0.00 N ATOM 252 CA ILE A 35 4.055 -5.825 7.939 1.00 0.00 C ATOM 253 C ILE A 35 4.492 -6.758 6.808 1.00 0.00 C ATOM 254 O ILE A 35 3.726 -7.618 6.378 1.00 0.00 O ATOM 255 CB ILE A 35 4.069 -6.483 9.320 1.00 0.00 C ATOM 256 CG1 ILE A 35 3.543 -5.525 10.390 1.00 0.00 C ATOM 257 CG2 ILE A 35 5.463 -7.014 9.661 1.00 0.00 C ATOM 258 CD1 ILE A 35 4.014 -5.947 11.784 1.00 0.00 C ATOM 0 H ILE A 35 2.122 -5.200 8.450 1.00 0.00 H new ATOM 0 HA ILE A 35 4.788 -5.020 7.989 1.00 0.00 H new ATOM 0 HB ILE A 35 3.395 -7.340 9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.886 -4.513 10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.454 -5.505 10.361 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.445 -7.477 10.648 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.762 -7.754 8.919 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.177 -6.190 9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.626 -5.249 12.526 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.648 -6.950 12.003 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.104 -5.943 11.817 1.00 0.00 H new ATOM 259 N GLY A 36 5.723 -6.556 6.360 1.00 0.00 N ATOM 260 CA GLY A 36 6.272 -7.368 5.287 1.00 0.00 C ATOM 261 C GLY A 36 5.786 -6.873 3.922 1.00 0.00 C ATOM 262 O GLY A 36 6.020 -7.522 2.904 1.00 0.00 O ATOM 0 H GLY A 36 6.356 -5.842 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.361 -7.337 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.978 -8.408 5.426 1.00 0.00 H new ATOM 263 N TYR A 37 5.120 -5.728 3.946 1.00 0.00 N ATOM 264 CA TYR A 37 4.602 -5.140 2.723 1.00 0.00 C ATOM 265 C TYR A 37 4.184 -3.685 2.948 1.00 0.00 C ATOM 266 O TYR A 37 3.530 -3.370 3.941 1.00 0.00 O ATOM 267 CB TYR A 37 3.364 -5.960 2.351 1.00 0.00 C ATOM 268 CG TYR A 37 3.649 -7.445 2.120 1.00 0.00 C ATOM 269 CD1 TYR A 37 4.062 -7.883 0.878 1.00 0.00 C ATOM 270 CD2 TYR A 37 3.494 -8.348 3.152 1.00 0.00 C ATOM 271 CE1 TYR A 37 4.330 -9.281 0.659 1.00 0.00 C ATOM 272 CE2 TYR A 37 3.761 -9.745 2.935 1.00 0.00 C ATOM 273 CZ TYR A 37 4.167 -10.142 1.699 1.00 0.00 C ATOM 274 OH TYR A 37 4.421 -11.463 1.492 1.00 0.00 O ATOM 0 H TYR A 37 4.927 -5.192 4.792 1.00 0.00 H new ATOM 0 HA TYR A 37 5.362 -5.151 1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.623 -5.862 3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.921 -5.541 1.448 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.184 -7.177 0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.172 -8.005 4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.653 -9.637 -0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.642 -10.461 3.734 1.00 0.00 H new ATOM 0 HH TYR A 37 4.264 -11.960 2.322 1.00 0.00 H new ATOM 275 N SER A 38 4.582 -2.837 2.012 1.00 0.00 N ATOM 276 CA SER A 38 4.257 -1.423 2.096 1.00 0.00 C ATOM 277 C SER A 38 4.840 -0.680 0.892 1.00 0.00 C ATOM 278 O SER A 38 5.228 -1.300 -0.098 1.00 0.00 O ATOM 279 CB SER A 38 4.782 -0.814 3.398 1.00 0.00 C ATOM 280 OG SER A 38 5.849 0.101 3.168 1.00 0.00 O ATOM 0 H SER A 38 5.127 -3.101 1.191 1.00 0.00 H new ATOM 0 HA SER A 38 3.172 -1.321 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.969 -0.301 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.124 -1.611 4.059 1.00 0.00 H new ATOM 0 HG SER A 38 6.630 -0.168 3.696 1.00 0.00 H new ATOM 281 N GLY A 39 4.883 0.638 1.014 1.00 0.00 N ATOM 282 CA GLY A 39 5.410 1.473 -0.052 1.00 0.00 C ATOM 283 C GLY A 39 4.280 2.166 -0.817 1.00 0.00 C ATOM 284 O GLY A 39 3.371 2.731 -0.209 1.00 0.00 O ATOM 0 H GLY A 39 4.561 1.149 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.083 2.222 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.998 0.864 -0.738 1.00 0.00 H new ATOM 285 N ASP A 40 4.372 2.102 -2.136 1.00 0.00 N ATOM 286 CA ASP A 40 3.370 2.717 -2.990 1.00 0.00 C ATOM 287 C ASP A 40 2.087 1.885 -2.941 1.00 0.00 C ATOM 288 O ASP A 40 1.028 2.344 -3.367 1.00 0.00 O ATOM 289 CB ASP A 40 3.844 2.774 -4.444 1.00 0.00 C ATOM 290 CG ASP A 40 2.831 3.358 -5.429 1.00 0.00 C ATOM 291 OD1 ASP A 40 1.943 2.651 -5.927 1.00 0.00 O ATOM 292 OD2 ASP A 40 2.983 4.613 -5.688 1.00 0.00 O ATOM 0 H ASP A 40 5.127 1.632 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 40 3.195 3.731 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.757 3.367 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.102 1.765 -4.766 1.00 0.00 H new ATOM 293 N ARG A 41 2.225 0.674 -2.421 1.00 0.00 N ATOM 294 CA ARG A 41 1.090 -0.226 -2.313 1.00 0.00 C ATOM 295 C ARG A 41 1.429 -1.401 -1.391 1.00 0.00 C ATOM 296 O ARG A 41 1.172 -1.346 -0.191 1.00 0.00 O ATOM 297 CB ARG A 41 0.681 -0.765 -3.685 1.00 0.00 C ATOM 298 CG ARG A 41 1.836 -0.654 -4.683 1.00 0.00 C ATOM 299 CD ARG A 41 1.436 -1.221 -6.048 1.00 0.00 C ATOM 300 NE ARG A 41 2.645 -1.625 -6.801 1.00 0.00 N ATOM 301 CZ ARG A 41 3.349 -0.797 -7.602 1.00 0.00 C ATOM 302 NH1 ARG A 41 4.337 -0.030 -7.094 1.00 0.00 N ATOM 303 NH2 ARG A 41 3.058 -0.750 -8.890 1.00 0.00 N ATOM 0 H ARG A 41 3.105 0.296 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 41 0.257 0.340 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.373 -1.807 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.180 -0.209 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.130 0.390 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.704 -1.192 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.776 -2.078 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.878 -0.474 -6.613 1.00 0.00 H new ATOM 0 HE ARG A 41 2.966 -2.589 -6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.556 -0.074 -6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.865 0.593 -7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.311 -1.334 -9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.580 -0.130 -9.509 1.00 0.00 H new ATOM 304 N CYS A 42 2.002 -2.435 -1.991 1.00 0.00 N ATOM 305 CA CYS A 42 2.380 -3.620 -1.239 1.00 0.00 C ATOM 306 C CYS A 42 3.613 -4.235 -1.902 1.00 0.00 C ATOM 307 O CYS A 42 3.930 -5.401 -1.673 1.00 0.00 O ATOM 308 CB CYS A 42 1.225 -4.619 -1.142 1.00 0.00 C ATOM 309 SG CYS A 42 -0.160 -4.090 -0.071 1.00 0.00 S ATOM 0 H CYS A 42 2.213 -2.477 -2.988 1.00 0.00 H new ATOM 0 HA CYS A 42 2.621 -3.343 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.840 -4.806 -2.144 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.613 -5.566 -0.768 1.00 0.00 H new ATOM 310 N GLN A 43 4.278 -3.424 -2.711 1.00 0.00 N ATOM 311 CA GLN A 43 5.471 -3.874 -3.410 1.00 0.00 C ATOM 312 C GLN A 43 6.595 -4.153 -2.411 1.00 0.00 C ATOM 313 O GLN A 43 7.232 -5.204 -2.465 1.00 0.00 O ATOM 314 CB GLN A 43 5.910 -2.853 -4.459 1.00 0.00 C ATOM 315 CG GLN A 43 6.938 -3.458 -5.418 1.00 0.00 C ATOM 316 CD GLN A 43 7.279 -2.483 -6.545 1.00 0.00 C ATOM 317 OE1 GLN A 43 6.555 -2.343 -7.519 1.00 0.00 O ATOM 318 NE2 GLN A 43 8.415 -1.818 -6.362 1.00 0.00 N ATOM 0 H GLN A 43 4.014 -2.457 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 43 5.236 -4.802 -3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.042 -2.508 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.338 -1.980 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.844 -3.716 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.546 -4.384 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.973 -1.983 -5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.729 -1.143 -7.059 1.00 0.00 H new ATOM 319 N THR A 44 6.806 -3.192 -1.524 1.00 0.00 N ATOM 320 CA THR A 44 7.844 -3.323 -0.514 1.00 0.00 C ATOM 321 C THR A 44 7.504 -4.451 0.459 1.00 0.00 C ATOM 322 O THR A 44 7.197 -4.201 1.624 1.00 0.00 O ATOM 323 CB THR A 44 8.014 -1.962 0.168 1.00 0.00 C ATOM 324 OG1 THR A 44 8.215 -1.056 -0.913 1.00 0.00 O ATOM 325 CG2 THR A 44 9.309 -1.871 0.978 1.00 0.00 C ATOM 0 H THR A 44 6.277 -2.321 -1.483 1.00 0.00 H new ATOM 0 HA THR A 44 8.798 -3.601 -0.962 1.00 0.00 H new ATOM 0 HB THR A 44 7.163 -1.775 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.332 -0.149 -0.562 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.380 -0.887 1.441 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.308 -2.637 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.163 -2.024 0.318 1.00 0.00 H new ATOM 326 N ARG A 45 7.569 -5.671 -0.052 1.00 0.00 N ATOM 327 CA ARG A 45 7.272 -6.840 0.756 1.00 0.00 C ATOM 328 C ARG A 45 8.354 -7.039 1.821 1.00 0.00 C ATOM 329 O ARG A 45 8.967 -8.104 1.896 1.00 0.00 O ATOM 330 CB ARG A 45 7.177 -8.099 -0.106 1.00 0.00 C ATOM 331 CG ARG A 45 8.449 -8.297 -0.929 1.00 0.00 C ATOM 332 CD ARG A 45 8.431 -9.644 -1.655 1.00 0.00 C ATOM 333 NE ARG A 45 8.686 -10.739 -0.692 1.00 0.00 N ATOM 334 CZ ARG A 45 8.505 -12.048 -0.970 1.00 0.00 C ATOM 335 NH1 ARG A 45 9.332 -12.646 -1.808 1.00 0.00 N ATOM 336 NH2 ARG A 45 7.493 -12.736 -0.402 1.00 0.00 N ATOM 0 H ARG A 45 7.824 -5.875 -1.018 1.00 0.00 H new ATOM 0 HA ARG A 45 6.309 -6.672 1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.013 -8.968 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.317 -8.024 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.545 -7.490 -1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.320 -8.244 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.466 -9.792 -2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.188 -9.654 -2.439 1.00 0.00 H new ATOM 0 HE ARG A 45 9.019 -10.489 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.094 -12.120 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.209 -13.634 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.857 -12.268 0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.364 -13.724 -0.618 1.00 0.00 H new ATOM 337 N ASP A 46 8.556 -5.998 2.614 1.00 0.00 N ATOM 338 CA ASP A 46 9.554 -6.047 3.670 1.00 0.00 C ATOM 339 C ASP A 46 8.920 -5.598 4.988 1.00 0.00 C ATOM 340 O ASP A 46 7.740 -5.258 5.027 1.00 0.00 O ATOM 341 CB ASP A 46 10.723 -5.107 3.365 1.00 0.00 C ATOM 342 CG ASP A 46 11.990 -5.364 4.184 1.00 0.00 C ATOM 343 OD1 ASP A 46 12.153 -4.830 5.290 1.00 0.00 O ATOM 344 OD2 ASP A 46 12.842 -6.162 3.633 1.00 0.00 O ATOM 0 H ASP A 46 8.047 -5.117 2.547 1.00 0.00 H new ATOM 0 HA ASP A 46 9.921 -7.071 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.970 -5.190 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.399 -4.081 3.537 1.00 0.00 H new ATOM 345 N LEU A 47 9.732 -5.611 6.035 1.00 0.00 N ATOM 346 CA LEU A 47 9.263 -5.210 7.349 1.00 0.00 C ATOM 347 C LEU A 47 9.315 -3.686 7.461 1.00 0.00 C ATOM 348 O LEU A 47 8.590 -2.984 6.757 1.00 0.00 O ATOM 349 CB LEU A 47 10.055 -5.933 8.442 1.00 0.00 C ATOM 350 CG LEU A 47 9.761 -7.426 8.609 1.00 0.00 C ATOM 351 CD1 LEU A 47 8.322 -7.651 9.076 1.00 0.00 C ATOM 352 CD2 LEU A 47 10.072 -8.190 7.320 1.00 0.00 C ATOM 0 H LEU A 47 10.712 -5.893 5.999 1.00 0.00 H new ATOM 0 HA LEU A 47 8.223 -5.505 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.118 -5.814 8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.860 -5.436 9.393 1.00 0.00 H new ATOM 0 HG LEU A 47 10.416 -7.821 9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.138 -8.720 9.187 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.169 -7.155 10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.632 -7.239 8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.855 -9.249 7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.457 -7.800 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.125 -8.066 7.069 1.00 0.00 H new ATOM 353 N ARG A 48 10.176 -3.217 8.352 1.00 0.00 N ATOM 354 CA ARG A 48 10.329 -1.788 8.564 1.00 0.00 C ATOM 355 C ARG A 48 9.100 -1.221 9.276 1.00 0.00 C ATOM 356 O ARG A 48 8.156 -0.768 8.629 1.00 0.00 O ATOM 357 CB ARG A 48 10.527 -1.051 7.237 1.00 0.00 C ATOM 358 CG ARG A 48 11.967 -0.560 7.090 1.00 0.00 C ATOM 359 CD ARG A 48 12.104 0.889 7.567 1.00 0.00 C ATOM 360 NE ARG A 48 13.528 1.291 7.562 1.00 0.00 N ATOM 361 CZ ARG A 48 14.114 1.984 6.563 1.00 0.00 C ATOM 362 NH1 ARG A 48 14.084 3.334 6.555 1.00 0.00 N ATOM 363 NH2 ARG A 48 14.716 1.322 5.593 1.00 0.00 N ATOM 0 H ARG A 48 10.775 -3.801 8.935 1.00 0.00 H new ATOM 0 HA ARG A 48 11.213 -1.639 9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.279 -1.715 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.843 -0.204 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.634 -1.201 7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 48 12.276 -0.634 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.529 1.550 6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.692 0.990 8.571 1.00 0.00 H new ATOM 0 HE ARG A 48 14.102 1.028 8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.616 3.838 7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.530 3.850 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.733 0.302 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.164 1.830 4.830 1.00 0.00 H new ATOM 364 N TRP A 49 9.149 -1.265 10.599 1.00 0.00 N ATOM 365 CA TRP A 49 8.052 -0.762 11.407 1.00 0.00 C ATOM 366 C TRP A 49 7.584 0.562 10.796 1.00 0.00 C ATOM 367 O TRP A 49 8.196 1.605 11.023 1.00 0.00 O ATOM 368 CB TRP A 49 8.465 -0.630 12.874 1.00 0.00 C ATOM 369 CG TRP A 49 7.631 -1.485 13.832 1.00 0.00 C ATOM 370 CD1 TRP A 49 6.296 -1.575 13.909 1.00 0.00 C ATOM 371 CD2 TRP A 49 8.136 -2.369 14.855 1.00 0.00 C ATOM 372 NE1 TRP A 49 5.904 -2.449 14.902 1.00 0.00 N ATOM 373 CE2 TRP A 49 7.059 -2.949 15.495 1.00 0.00 C ATOM 374 CE3 TRP A 49 9.458 -2.671 15.225 1.00 0.00 C ATOM 375 CZ2 TRP A 49 7.194 -3.865 16.545 1.00 0.00 C ATOM 376 CZ3 TRP A 49 9.575 -3.588 16.277 1.00 0.00 C ATOM 377 CH2 TRP A 49 8.502 -4.180 16.933 1.00 0.00 C ATOM 0 H TRP A 49 9.933 -1.642 11.132 1.00 0.00 H new ATOM 0 HA TRP A 49 7.217 -1.463 11.403 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.514 -0.909 12.973 1.00 0.00 H new ATOM 0 HB3 TRP A 49 8.384 0.416 13.171 1.00 0.00 H new ATOM 0 HD1 TRP A 49 5.613 -1.031 13.273 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.944 -2.685 15.155 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.315 -2.231 14.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.335 -4.305 17.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 10.570 -3.854 16.602 1.00 0.00 H new ATOM 0 HH2 TRP A 49 8.676 -4.879 17.738 1.00 0.00 H new ATOM 378 N TRP A 50 6.503 0.477 10.036 1.00 0.00 N ATOM 379 CA TRP A 50 5.947 1.655 9.393 1.00 0.00 C ATOM 380 C TRP A 50 4.628 1.996 10.089 1.00 0.00 C ATOM 381 O TRP A 50 3.563 1.924 9.480 1.00 0.00 O ATOM 382 CB TRP A 50 5.787 1.432 7.887 1.00 0.00 C ATOM 383 CG TRP A 50 5.691 -0.040 7.481 1.00 0.00 C ATOM 384 CD1 TRP A 50 4.985 -1.013 8.071 1.00 0.00 C ATOM 385 CD2 TRP A 50 6.356 -0.668 6.365 1.00 0.00 C ATOM 386 NE1 TRP A 50 5.145 -2.219 7.421 1.00 0.00 N ATOM 387 CE2 TRP A 50 6.004 -2.003 6.350 1.00 0.00 C ATOM 388 CE3 TRP A 50 7.222 -0.128 5.400 1.00 0.00 C ATOM 389 CZ2 TRP A 50 6.476 -2.909 5.392 1.00 0.00 C ATOM 390 CZ3 TRP A 50 7.684 -1.046 4.449 1.00 0.00 C ATOM 391 CH2 TRP A 50 7.340 -2.392 4.420 1.00 0.00 C ATOM 0 H TRP A 50 5.997 -0.389 9.851 1.00 0.00 H new ATOM 0 HA TRP A 50 6.623 2.504 9.493 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.891 1.951 7.547 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.633 1.886 7.371 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.368 -0.871 8.946 1.00 0.00 H new ATOM 0 HE1 TRP A 50 4.713 -3.106 7.679 1.00 0.00 H new ATOM 0 HE3 TRP A 50 7.509 0.913 5.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 6.189 -3.950 5.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 8.355 -0.682 3.684 1.00 0.00 H new ATOM 0 HH2 TRP A 50 7.738 -3.037 3.650 1.00 0.00 H new ATOM 392 N GLU A 51 4.743 2.362 11.358 1.00 0.00 N ATOM 393 CA GLU A 51 3.575 2.714 12.146 1.00 0.00 C ATOM 394 C GLU A 51 3.993 3.460 13.413 1.00 0.00 C ATOM 395 O GLU A 51 5.074 3.221 13.949 1.00 0.00 O ATOM 396 CB GLU A 51 2.748 1.472 12.487 1.00 0.00 C ATOM 397 CG GLU A 51 3.650 0.322 12.937 1.00 0.00 C ATOM 398 CD GLU A 51 2.819 -0.887 13.369 1.00 0.00 C ATOM 399 OE1 GLU A 51 2.441 -0.993 14.546 1.00 0.00 O ATOM 400 OE2 GLU A 51 2.567 -1.739 12.433 1.00 0.00 O ATOM 0 H GLU A 51 5.629 2.422 11.860 1.00 0.00 H new ATOM 0 HA GLU A 51 2.946 3.376 11.550 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.035 1.710 13.276 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.169 1.166 11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.317 0.038 12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.279 0.650 13.764 1.00 0.00 H new ATOM 401 N LEU A 52 3.117 4.350 13.855 1.00 0.00 N ATOM 402 CA LEU A 52 3.382 5.133 15.050 1.00 0.00 C ATOM 403 C LEU A 52 2.213 4.980 16.026 1.00 0.00 C ATOM 404 O LEU A 52 1.073 4.772 15.607 1.00 0.00 O ATOM 405 CB LEU A 52 3.690 6.586 14.681 1.00 0.00 C ATOM 406 CG LEU A 52 2.560 7.357 13.997 1.00 0.00 C ATOM 407 CD1 LEU A 52 2.367 8.732 14.641 1.00 0.00 C ATOM 408 CD2 LEU A 52 2.799 7.459 12.490 1.00 0.00 C ATOM 0 H LEU A 52 2.222 4.546 13.407 1.00 0.00 H new ATOM 0 HA LEU A 52 4.272 4.762 15.559 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.969 7.120 15.589 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.560 6.597 14.025 1.00 0.00 H new ATOM 0 HG LEU A 52 1.633 6.801 14.139 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.558 9.260 14.136 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.118 8.608 15.695 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.288 9.308 14.551 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.981 8.012 12.028 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.739 7.980 12.305 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.848 6.458 12.061 1.00 0.00 H new ATOM 409 N ARG A 53 2.534 5.088 17.306 1.00 0.00 N ATOM 410 CA ARG A 53 1.523 4.965 18.344 1.00 0.00 C ATOM 411 C ARG A 53 0.848 3.593 18.266 1.00 0.00 C ATOM 412 O ARG A 53 -0.025 3.282 19.073 1.00 0.00 O ATOM 413 CB ARG A 53 0.460 6.057 18.211 1.00 0.00 C ATOM 414 CG ARG A 53 0.360 6.883 19.494 1.00 0.00 C ATOM 415 CD ARG A 53 -0.518 6.180 20.531 1.00 0.00 C ATOM 416 NE ARG A 53 -0.716 7.058 21.706 1.00 0.00 N ATOM 417 CZ ARG A 53 0.008 6.976 22.843 1.00 0.00 C ATOM 418 NH1 ARG A 53 1.173 7.650 22.962 1.00 0.00 N ATOM 419 NH2 ARG A 53 -0.438 6.230 23.835 1.00 0.00 N ATOM 420 OXT ARG A 53 1.267 2.833 17.314 1.00 0.00 O ATOM 0 H ARG A 53 3.479 5.259 17.649 1.00 0.00 H new ATOM 0 HA ARG A 53 2.021 5.075 19.307 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.706 6.709 17.373 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.506 5.604 17.990 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.356 7.045 19.905 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.054 7.865 19.267 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.482 5.925 20.091 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.052 5.245 20.840 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.445 7.770 21.654 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.511 8.225 22.190 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.715 7.584 23.824 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.319 5.725 23.737 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.098 6.158 24.700 1.00 0.00 H new TER 421 ARG A 53