USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 7:sc= -25.7! USER MOD Set 1.2: A 40 CYS SG : rot 134:sc= -25.3! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 91:sc= 1.3 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.14) USER MOD Single : A 4 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.25) USER MOD Single : A 5 THR OG1 : rot -44:sc= 1.22 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.69) USER MOD Single : A 23 HIS : no HD1:sc= -2.05 X(o=-2,f=-2.5) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -87:sc= 0.254 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 17:sc= 1.22 USER MOD Single : A 37 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.66) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.13 K(o=-1.1,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.195 -0.204 -0.162 1.00 40.12 N ATOM 2 CA LEU A 1 2.061 -0.167 -1.335 1.00 43.24 C ATOM 3 C LEU A 1 2.662 -1.541 -1.613 1.00 33.33 C ATOM 4 O LEU A 1 2.907 -2.319 -0.691 1.00 12.22 O ATOM 5 CB LEU A 1 3.178 0.860 -1.137 1.00 21.52 C ATOM 6 CG LEU A 1 3.391 1.850 -2.282 1.00 71.13 C ATOM 7 CD1 LEU A 1 3.888 1.129 -3.526 1.00 34.02 C ATOM 8 CD2 LEU A 1 2.104 2.606 -2.580 1.00 21.31 C ATOM 0 H1 LEU A 1 0.798 0.742 0.007 1.00 40.12 H new ATOM 0 H2 LEU A 1 0.421 -0.880 -0.323 1.00 40.12 H new ATOM 0 H3 LEU A 1 1.747 -0.501 0.668 1.00 40.12 H new ATOM 0 HA LEU A 1 1.455 0.124 -2.193 1.00 43.24 H new ATOM 0 HB2 LEU A 1 2.967 1.425 -0.229 1.00 21.52 H new ATOM 0 HB3 LEU A 1 4.112 0.323 -0.969 1.00 21.52 H new ATOM 0 HG LEU A 1 4.150 2.571 -1.977 1.00 71.13 H new ATOM 0 HD11 LEU A 1 4.034 1.850 -4.330 1.00 34.02 H new ATOM 0 HD12 LEU A 1 4.834 0.634 -3.306 1.00 34.02 H new ATOM 0 HD13 LEU A 1 3.153 0.386 -3.834 1.00 34.02 H new ATOM 0 HD21 LEU A 1 2.274 3.306 -3.398 1.00 21.31 H new ATOM 0 HD22 LEU A 1 1.324 1.899 -2.864 1.00 21.31 H new ATOM 0 HD23 LEU A 1 1.790 3.155 -1.692 1.00 21.31 H new ATOM 20 N GLN A 2 2.897 -1.832 -2.888 1.00 5.00 N ATOM 21 CA GLN A 2 3.471 -3.112 -3.286 1.00 31.33 C ATOM 22 C GLN A 2 4.622 -2.912 -4.266 1.00 22.23 C ATOM 23 O GLN A 2 4.632 -1.955 -5.041 1.00 25.42 O ATOM 24 CB GLN A 2 2.398 -4.002 -3.916 1.00 12.22 C ATOM 25 CG GLN A 2 1.981 -5.169 -3.035 1.00 54.42 C ATOM 26 CD GLN A 2 1.147 -6.193 -3.779 1.00 53.45 C ATOM 27 OE1 GLN A 2 0.018 -6.493 -3.390 1.00 12.51 O ATOM 28 NE2 GLN A 2 1.699 -6.736 -4.858 1.00 4.41 N ATOM 0 H GLN A 2 2.699 -1.199 -3.663 1.00 5.00 H new ATOM 0 HA GLN A 2 3.860 -3.600 -2.393 1.00 31.33 H new ATOM 0 HB2 GLN A 2 1.521 -3.395 -4.141 1.00 12.22 H new ATOM 0 HB3 GLN A 2 2.770 -4.389 -4.865 1.00 12.22 H new ATOM 0 HG2 GLN A 2 2.872 -5.653 -2.634 1.00 54.42 H new ATOM 0 HG3 GLN A 2 1.413 -4.792 -2.184 1.00 54.42 H new ATOM 0 HE21 GLN A 2 2.638 -6.459 -5.145 1.00 4.41 H new ATOM 0 HE22 GLN A 2 1.184 -7.430 -5.400 1.00 4.41 H new ATOM 37 N CYS A 3 5.591 -3.821 -4.226 1.00 1.41 N ATOM 38 CA CYS A 3 6.748 -3.744 -5.109 1.00 63.35 C ATOM 39 C CYS A 3 7.050 -5.106 -5.729 1.00 43.20 C ATOM 40 O CYS A 3 6.764 -6.146 -5.137 1.00 52.43 O ATOM 41 CB CYS A 3 7.971 -3.239 -4.341 1.00 32.13 C ATOM 42 SG CYS A 3 7.620 -1.849 -3.216 1.00 71.43 S ATOM 0 H CYS A 3 5.597 -4.619 -3.591 1.00 1.41 H new ATOM 0 HA CYS A 3 6.516 -3.042 -5.910 1.00 63.35 H new ATOM 0 HB2 CYS A 3 8.390 -4.063 -3.764 1.00 32.13 H new ATOM 0 HB3 CYS A 3 8.734 -2.930 -5.056 1.00 32.13 H new ATOM 47 N ASN A 4 7.631 -5.090 -6.924 1.00 40.04 N ATOM 48 CA ASN A 4 7.972 -6.323 -7.625 1.00 10.12 C ATOM 49 C ASN A 4 9.287 -6.897 -7.107 1.00 20.24 C ATOM 50 O ASN A 4 10.079 -6.196 -6.476 1.00 52.52 O ATOM 51 CB ASN A 4 8.072 -6.068 -9.130 1.00 51.11 C ATOM 52 CG ASN A 4 6.749 -5.636 -9.732 1.00 72.15 C ATOM 53 OD1 ASN A 4 6.067 -6.423 -10.390 1.00 10.15 O ATOM 54 ND2 ASN A 4 6.380 -4.380 -9.511 1.00 12.13 N ATOM 0 H ASN A 4 7.876 -4.237 -7.427 1.00 40.04 H new ATOM 0 HA ASN A 4 7.180 -7.049 -7.438 1.00 10.12 H new ATOM 0 HB2 ASN A 4 8.821 -5.299 -9.316 1.00 51.11 H new ATOM 0 HB3 ASN A 4 8.416 -6.975 -9.627 1.00 51.11 H new ATOM 0 HD21 ASN A 4 5.500 -4.032 -9.892 1.00 12.13 H new ATOM 0 HD22 ASN A 4 6.976 -3.763 -8.960 1.00 12.13 H new ATOM 61 N THR A 5 9.514 -8.179 -7.377 1.00 43.22 N ATOM 62 CA THR A 5 10.732 -8.848 -6.938 1.00 63.25 C ATOM 63 C THR A 5 11.459 -9.492 -8.113 1.00 63.43 C ATOM 64 O THR A 5 10.844 -9.842 -9.121 1.00 72.23 O ATOM 65 CB THR A 5 10.431 -9.928 -5.882 1.00 13.32 C ATOM 66 OG1 THR A 5 9.702 -11.007 -6.478 1.00 44.20 O ATOM 67 CG2 THR A 5 9.630 -9.346 -4.727 1.00 12.51 C ATOM 0 H THR A 5 8.870 -8.774 -7.898 1.00 43.22 H new ATOM 0 HA THR A 5 11.369 -8.084 -6.494 1.00 63.25 H new ATOM 0 HB THR A 5 11.379 -10.301 -5.495 1.00 13.32 H new ATOM 0 HG1 THR A 5 9.000 -10.646 -7.059 1.00 44.20 H new ATOM 0 HG21 THR A 5 9.429 -10.127 -3.994 1.00 12.51 H new ATOM 0 HG22 THR A 5 10.199 -8.544 -4.257 1.00 12.51 H new ATOM 0 HG23 THR A 5 8.687 -8.949 -5.102 1.00 12.51 H new ATOM 75 N LEU A 6 12.772 -9.647 -7.978 1.00 33.54 N ATOM 76 CA LEU A 6 13.583 -10.251 -9.029 1.00 24.33 C ATOM 77 C LEU A 6 13.181 -11.704 -9.261 1.00 21.24 C ATOM 78 O LEU A 6 13.465 -12.277 -10.313 1.00 14.21 O ATOM 79 CB LEU A 6 15.067 -10.173 -8.663 1.00 73.01 C ATOM 80 CG LEU A 6 15.578 -11.246 -7.701 1.00 44.21 C ATOM 81 CD1 LEU A 6 17.088 -11.145 -7.543 1.00 74.54 C ATOM 82 CD2 LEU A 6 14.890 -11.123 -6.350 1.00 13.43 C ATOM 0 H LEU A 6 13.297 -9.363 -7.151 1.00 33.54 H new ATOM 0 HA LEU A 6 13.412 -9.695 -9.951 1.00 24.33 H new ATOM 0 HB2 LEU A 6 15.651 -10.229 -9.582 1.00 73.01 H new ATOM 0 HB3 LEU A 6 15.261 -9.195 -8.222 1.00 73.01 H new ATOM 0 HG LEU A 6 15.341 -12.224 -8.119 1.00 44.21 H new ATOM 0 HD11 LEU A 6 17.434 -11.916 -6.855 1.00 74.54 H new ATOM 0 HD12 LEU A 6 17.565 -11.283 -8.513 1.00 74.54 H new ATOM 0 HD13 LEU A 6 17.348 -10.163 -7.148 1.00 74.54 H new ATOM 0 HD21 LEU A 6 15.266 -11.895 -5.678 1.00 13.43 H new ATOM 0 HD22 LEU A 6 15.096 -10.141 -5.925 1.00 13.43 H new ATOM 0 HD23 LEU A 6 13.814 -11.246 -6.477 1.00 13.43 H new ATOM 94 N ASP A 7 12.517 -12.294 -8.272 1.00 45.33 N ATOM 95 CA ASP A 7 12.073 -13.679 -8.370 1.00 33.14 C ATOM 96 C ASP A 7 10.832 -13.791 -9.250 1.00 14.23 C ATOM 97 O ASP A 7 10.352 -14.889 -9.527 1.00 73.10 O ATOM 98 CB ASP A 7 11.779 -14.242 -6.978 1.00 53.31 C ATOM 99 CG ASP A 7 11.831 -15.756 -6.943 1.00 64.40 C ATOM 100 OD1 ASP A 7 12.806 -16.328 -7.474 1.00 60.22 O ATOM 101 OD2 ASP A 7 10.897 -16.370 -6.385 1.00 65.22 O ATOM 0 H ASP A 7 12.275 -11.834 -7.394 1.00 45.33 H new ATOM 0 HA ASP A 7 12.874 -14.260 -8.827 1.00 33.14 H new ATOM 0 HB2 ASP A 7 12.501 -13.840 -6.267 1.00 53.31 H new ATOM 0 HB3 ASP A 7 10.793 -13.908 -6.655 1.00 53.31 H new ATOM 106 N GLY A 8 10.316 -12.645 -9.685 1.00 71.23 N ATOM 107 CA GLY A 8 9.135 -12.637 -10.528 1.00 54.51 C ATOM 108 C GLY A 8 7.853 -12.505 -9.729 1.00 42.51 C ATOM 109 O GLY A 8 6.775 -12.329 -10.296 1.00 24.23 O ATOM 0 H GLY A 8 10.695 -11.723 -9.469 1.00 71.23 H new ATOM 0 HA2 GLY A 8 9.204 -11.812 -11.237 1.00 54.51 H new ATOM 0 HA3 GLY A 8 9.103 -13.557 -11.112 1.00 54.51 H new ATOM 113 N GLY A 9 7.970 -12.591 -8.407 1.00 40.34 N ATOM 114 CA GLY A 9 6.804 -12.479 -7.551 1.00 31.42 C ATOM 115 C GLY A 9 6.577 -11.063 -7.062 1.00 54.40 C ATOM 116 O GLY A 9 7.349 -10.157 -7.378 1.00 54.33 O ATOM 0 H GLY A 9 8.851 -12.736 -7.914 1.00 40.34 H new ATOM 0 HA2 GLY A 9 5.923 -12.817 -8.097 1.00 31.42 H new ATOM 0 HA3 GLY A 9 6.922 -13.142 -6.694 1.00 31.42 H new ATOM 120 N THR A 10 5.513 -10.868 -6.289 1.00 34.31 N ATOM 121 CA THR A 10 5.184 -9.552 -5.758 1.00 11.41 C ATOM 122 C THR A 10 5.401 -9.497 -4.250 1.00 50.11 C ATOM 123 O THR A 10 5.175 -10.480 -3.546 1.00 24.42 O ATOM 124 CB THR A 10 3.725 -9.168 -6.069 1.00 72.53 C ATOM 125 OG1 THR A 10 2.882 -10.321 -5.961 1.00 71.00 O ATOM 126 CG2 THR A 10 3.607 -8.577 -7.466 1.00 32.02 C ATOM 0 H THR A 10 4.864 -11.606 -6.017 1.00 34.31 H new ATOM 0 HA THR A 10 5.851 -8.840 -6.245 1.00 11.41 H new ATOM 0 HB THR A 10 3.408 -8.417 -5.346 1.00 72.53 H new ATOM 0 HG1 THR A 10 1.956 -10.069 -6.158 1.00 71.00 H new ATOM 0 HG21 THR A 10 2.568 -8.314 -7.663 1.00 32.02 H new ATOM 0 HG22 THR A 10 4.228 -7.684 -7.537 1.00 32.02 H new ATOM 0 HG23 THR A 10 3.941 -9.310 -8.200 1.00 32.02 H new ATOM 134 N GLU A 11 5.839 -8.341 -3.761 1.00 45.04 N ATOM 135 CA GLU A 11 6.087 -8.160 -2.336 1.00 12.32 C ATOM 136 C GLU A 11 5.345 -6.936 -1.806 1.00 53.02 C ATOM 137 O GLU A 11 5.169 -5.948 -2.518 1.00 62.14 O ATOM 138 CB GLU A 11 7.587 -8.015 -2.070 1.00 53.21 C ATOM 139 CG GLU A 11 8.200 -6.776 -2.701 1.00 73.02 C ATOM 140 CD GLU A 11 9.497 -6.362 -2.034 1.00 32.34 C ATOM 141 OE1 GLU A 11 9.436 -5.627 -1.026 1.00 23.34 O ATOM 142 OE2 GLU A 11 10.572 -6.773 -2.519 1.00 13.33 O ATOM 0 H GLU A 11 6.029 -7.516 -4.331 1.00 45.04 H new ATOM 0 HA GLU A 11 5.717 -9.043 -1.814 1.00 12.32 H new ATOM 0 HB2 GLU A 11 7.755 -7.985 -0.993 1.00 53.21 H new ATOM 0 HB3 GLU A 11 8.102 -8.898 -2.449 1.00 53.21 H new ATOM 0 HG2 GLU A 11 8.384 -6.965 -3.759 1.00 73.02 H new ATOM 0 HG3 GLU A 11 7.487 -5.953 -2.643 1.00 73.02 H new ATOM 149 N GLU A 12 4.911 -7.011 -0.552 1.00 24.04 N ATOM 150 CA GLU A 12 4.187 -5.910 0.073 1.00 61.22 C ATOM 151 C GLU A 12 5.152 -4.926 0.727 1.00 1.15 C ATOM 152 O GLU A 12 5.884 -5.279 1.653 1.00 14.42 O ATOM 153 CB GLU A 12 3.202 -6.444 1.114 1.00 34.43 C ATOM 154 CG GLU A 12 3.859 -7.272 2.206 1.00 0.42 C ATOM 155 CD GLU A 12 3.659 -6.679 3.588 1.00 54.05 C ATOM 156 OE1 GLU A 12 4.502 -5.861 4.009 1.00 4.44 O ATOM 157 OE2 GLU A 12 2.659 -7.033 4.246 1.00 31.44 O ATOM 0 H GLU A 12 5.048 -7.822 0.051 1.00 24.04 H new ATOM 0 HA GLU A 12 3.633 -5.385 -0.705 1.00 61.22 H new ATOM 0 HB2 GLU A 12 2.679 -5.604 1.572 1.00 34.43 H new ATOM 0 HB3 GLU A 12 2.450 -7.052 0.612 1.00 34.43 H new ATOM 0 HG2 GLU A 12 3.451 -8.283 2.186 1.00 0.42 H new ATOM 0 HG3 GLU A 12 4.926 -7.355 2.001 1.00 0.42 H new ATOM 164 N CYS A 13 5.149 -3.690 0.240 1.00 54.13 N ATOM 165 CA CYS A 13 6.023 -2.654 0.775 1.00 42.41 C ATOM 166 C CYS A 13 5.344 -1.906 1.918 1.00 12.44 C ATOM 167 O CYS A 13 4.257 -1.351 1.752 1.00 43.33 O ATOM 168 CB CYS A 13 6.418 -1.670 -0.329 1.00 22.33 C ATOM 169 SG CYS A 13 7.297 -2.437 -1.728 1.00 62.10 S ATOM 0 H CYS A 13 4.550 -3.381 -0.526 1.00 54.13 H new ATOM 0 HA CYS A 13 6.921 -3.136 1.162 1.00 42.41 H new ATOM 0 HB2 CYS A 13 5.519 -1.180 -0.703 1.00 22.33 H new ATOM 0 HB3 CYS A 13 7.049 -0.892 0.101 1.00 22.33 H new ATOM 174 N ILE A 14 5.992 -1.895 3.078 1.00 34.35 N ATOM 175 CA ILE A 14 5.451 -1.215 4.249 1.00 50.23 C ATOM 176 C ILE A 14 5.457 0.298 4.056 1.00 21.05 C ATOM 177 O ILE A 14 6.448 0.891 3.630 1.00 64.51 O ATOM 178 CB ILE A 14 6.247 -1.563 5.520 1.00 4.41 C ATOM 179 CG1 ILE A 14 6.270 -3.077 5.736 1.00 71.33 C ATOM 180 CG2 ILE A 14 5.649 -0.859 6.729 1.00 40.10 C ATOM 181 CD1 ILE A 14 7.122 -3.508 6.909 1.00 61.01 C ATOM 0 H ILE A 14 6.892 -2.349 3.232 1.00 34.35 H new ATOM 0 HA ILE A 14 4.424 -1.560 4.369 1.00 50.23 H new ATOM 0 HB ILE A 14 7.273 -1.218 5.394 1.00 4.41 H new ATOM 0 HG12 ILE A 14 5.250 -3.429 5.890 1.00 71.33 H new ATOM 0 HG13 ILE A 14 6.641 -3.559 4.832 1.00 71.33 H new ATOM 0 HG21 ILE A 14 6.223 -1.115 7.620 1.00 40.10 H new ATOM 0 HG22 ILE A 14 5.681 0.220 6.575 1.00 40.10 H new ATOM 0 HG23 ILE A 14 4.615 -1.176 6.860 1.00 40.10 H new ATOM 0 HD11 ILE A 14 7.091 -4.594 7.002 1.00 61.01 H new ATOM 0 HD12 ILE A 14 8.151 -3.187 6.749 1.00 61.01 H new ATOM 0 HD13 ILE A 14 6.739 -3.055 7.823 1.00 61.01 H new ATOM 193 N PRO A 15 4.325 0.940 4.380 1.00 12.10 N ATOM 194 CA PRO A 15 4.175 2.393 4.254 1.00 73.23 C ATOM 195 C PRO A 15 5.013 3.153 5.275 1.00 4.23 C ATOM 196 O PRO A 15 4.498 3.628 6.286 1.00 14.40 O ATOM 197 CB PRO A 15 2.683 2.619 4.512 1.00 40.13 C ATOM 198 CG PRO A 15 2.263 1.459 5.346 1.00 33.04 C ATOM 199 CD PRO A 15 3.104 0.297 4.895 1.00 51.44 C ATOM 0 HA PRO A 15 4.514 2.755 3.283 1.00 73.23 H new ATOM 0 HB2 PRO A 15 2.509 3.562 5.030 1.00 40.13 H new ATOM 0 HB3 PRO A 15 2.122 2.659 3.579 1.00 40.13 H new ATOM 0 HG2 PRO A 15 2.417 1.664 6.405 1.00 33.04 H new ATOM 0 HG3 PRO A 15 1.202 1.247 5.214 1.00 33.04 H new ATOM 0 HD2 PRO A 15 3.324 -0.383 5.718 1.00 51.44 H new ATOM 0 HD3 PRO A 15 2.602 -0.287 4.124 1.00 51.44 H new ATOM 207 N GLY A 16 6.310 3.265 5.004 1.00 24.23 N ATOM 208 CA GLY A 16 7.199 3.969 5.910 1.00 45.14 C ATOM 209 C GLY A 16 8.656 3.612 5.687 1.00 34.41 C ATOM 210 O GLY A 16 9.486 4.487 5.440 1.00 74.05 O ATOM 0 H GLY A 16 6.761 2.881 4.174 1.00 24.23 H new ATOM 0 HA2 GLY A 16 7.068 5.043 5.781 1.00 45.14 H new ATOM 0 HA3 GLY A 16 6.924 3.735 6.939 1.00 45.14 H new ATOM 214 N ILE A 17 8.967 2.323 5.777 1.00 42.12 N ATOM 215 CA ILE A 17 10.333 1.853 5.584 1.00 23.30 C ATOM 216 C ILE A 17 10.740 1.933 4.117 1.00 63.04 C ATOM 217 O ILE A 17 11.914 2.124 3.797 1.00 52.13 O ATOM 218 CB ILE A 17 10.504 0.403 6.074 1.00 72.41 C ATOM 219 CG1 ILE A 17 9.939 0.249 7.487 1.00 33.05 C ATOM 220 CG2 ILE A 17 11.971 0.000 6.037 1.00 14.33 C ATOM 221 CD1 ILE A 17 10.059 -1.155 8.037 1.00 23.11 C ATOM 0 H ILE A 17 8.292 1.586 5.982 1.00 42.12 H new ATOM 0 HA ILE A 17 10.977 2.506 6.173 1.00 23.30 H new ATOM 0 HB ILE A 17 9.949 -0.258 5.407 1.00 72.41 H new ATOM 0 HG12 ILE A 17 10.458 0.937 8.154 1.00 33.05 H new ATOM 0 HG13 ILE A 17 8.889 0.540 7.483 1.00 33.05 H new ATOM 0 HG21 ILE A 17 12.075 -1.027 6.386 1.00 14.33 H new ATOM 0 HG22 ILE A 17 12.343 0.075 5.015 1.00 14.33 H new ATOM 0 HG23 ILE A 17 12.547 0.663 6.683 1.00 14.33 H new ATOM 0 HD11 ILE A 17 9.638 -1.189 9.042 1.00 23.11 H new ATOM 0 HD12 ILE A 17 9.516 -1.846 7.392 1.00 23.11 H new ATOM 0 HD13 ILE A 17 11.110 -1.443 8.074 1.00 23.11 H new ATOM 233 N TYR A 18 9.763 1.787 3.229 1.00 42.33 N ATOM 234 CA TYR A 18 10.019 1.843 1.794 1.00 24.34 C ATOM 235 C TYR A 18 9.068 2.819 1.108 1.00 23.44 C ATOM 236 O TYR A 18 7.856 2.612 1.091 1.00 53.01 O ATOM 237 CB TYR A 18 9.874 0.452 1.175 1.00 25.52 C ATOM 238 CG TYR A 18 10.556 -0.639 1.970 1.00 31.23 C ATOM 239 CD1 TYR A 18 11.869 -0.495 2.402 1.00 73.03 C ATOM 240 CD2 TYR A 18 9.886 -1.814 2.291 1.00 2.30 C ATOM 241 CE1 TYR A 18 12.495 -1.489 3.128 1.00 62.33 C ATOM 242 CE2 TYR A 18 10.504 -2.813 3.018 1.00 44.31 C ATOM 243 CZ TYR A 18 11.809 -2.646 3.433 1.00 30.15 C ATOM 244 OH TYR A 18 12.429 -3.638 4.158 1.00 61.33 O ATOM 0 H TYR A 18 8.786 1.629 3.477 1.00 42.33 H new ATOM 0 HA TYR A 18 11.040 2.195 1.646 1.00 24.34 H new ATOM 0 HB2 TYR A 18 8.814 0.214 1.082 1.00 25.52 H new ATOM 0 HB3 TYR A 18 10.287 0.467 0.166 1.00 25.52 H new ATOM 0 HD1 TYR A 18 12.409 0.410 2.166 1.00 73.03 H new ATOM 0 HD2 TYR A 18 8.865 -1.948 1.966 1.00 2.30 H new ATOM 0 HE1 TYR A 18 13.516 -1.361 3.455 1.00 62.33 H new ATOM 0 HE2 TYR A 18 9.969 -3.719 3.260 1.00 44.31 H new ATOM 0 HH TYR A 18 11.808 -4.385 4.288 1.00 61.33 H new ATOM 254 N ASN A 19 9.629 3.883 0.543 1.00 22.23 N ATOM 255 CA ASN A 19 8.832 4.892 -0.145 1.00 23.11 C ATOM 256 C ASN A 19 9.244 5.004 -1.610 1.00 12.23 C ATOM 257 O ASN A 19 8.568 5.654 -2.408 1.00 1.04 O ATOM 258 CB ASN A 19 8.984 6.249 0.545 1.00 43.33 C ATOM 259 CG ASN A 19 10.232 6.988 0.099 1.00 74.31 C ATOM 260 OD1 ASN A 19 10.179 7.838 -0.789 1.00 54.45 O ATOM 261 ND2 ASN A 19 11.362 6.665 0.715 1.00 25.45 N ATOM 0 H ASN A 19 10.632 4.069 0.548 1.00 22.23 H new ATOM 0 HA ASN A 19 7.787 4.586 -0.102 1.00 23.11 H new ATOM 0 HB2 ASN A 19 8.107 6.861 0.334 1.00 43.33 H new ATOM 0 HB3 ASN A 19 9.018 6.103 1.625 1.00 43.33 H new ATOM 0 HD21 ASN A 19 12.234 7.128 0.457 1.00 25.45 H new ATOM 0 HD22 ASN A 19 11.359 5.954 1.446 1.00 25.45 H new ATOM 268 N VAL A 20 10.357 4.366 -1.957 1.00 31.34 N ATOM 269 CA VAL A 20 10.858 4.392 -3.325 1.00 63.14 C ATOM 270 C VAL A 20 10.842 2.998 -3.943 1.00 41.44 C ATOM 271 O VAL A 20 10.548 2.011 -3.269 1.00 2.25 O ATOM 272 CB VAL A 20 12.292 4.952 -3.388 1.00 14.55 C ATOM 273 CG1 VAL A 20 12.314 6.410 -2.954 1.00 42.31 C ATOM 274 CG2 VAL A 20 13.228 4.117 -2.527 1.00 54.30 C ATOM 0 H VAL A 20 10.929 3.825 -1.309 1.00 31.34 H new ATOM 0 HA VAL A 20 10.195 5.046 -3.892 1.00 63.14 H new ATOM 0 HB VAL A 20 12.640 4.899 -4.420 1.00 14.55 H new ATOM 0 HG11 VAL A 20 13.335 6.789 -3.005 1.00 42.31 H new ATOM 0 HG12 VAL A 20 11.676 6.996 -3.615 1.00 42.31 H new ATOM 0 HG13 VAL A 20 11.947 6.491 -1.931 1.00 42.31 H new ATOM 0 HG21 VAL A 20 14.237 4.527 -2.583 1.00 54.30 H new ATOM 0 HG22 VAL A 20 12.885 4.137 -1.492 1.00 54.30 H new ATOM 0 HG23 VAL A 20 13.234 3.088 -2.888 1.00 54.30 H new ATOM 284 N CYS A 21 11.161 2.925 -5.231 1.00 75.44 N ATOM 285 CA CYS A 21 11.183 1.652 -5.942 1.00 42.14 C ATOM 286 C CYS A 21 12.044 1.746 -7.199 1.00 0.22 C ATOM 287 O CYS A 21 12.032 2.759 -7.898 1.00 51.15 O ATOM 288 CB CYS A 21 9.762 1.227 -6.316 1.00 14.15 C ATOM 289 SG CYS A 21 8.756 2.558 -7.047 1.00 55.01 S ATOM 0 H CYS A 21 11.408 3.732 -5.804 1.00 75.44 H new ATOM 0 HA CYS A 21 11.617 0.903 -5.280 1.00 42.14 H new ATOM 0 HB2 CYS A 21 9.816 0.398 -7.021 1.00 14.15 H new ATOM 0 HB3 CYS A 21 9.259 0.854 -5.424 1.00 14.15 H new ATOM 294 N VAL A 22 12.791 0.683 -7.479 1.00 74.40 N ATOM 295 CA VAL A 22 13.657 0.644 -8.651 1.00 74.14 C ATOM 296 C VAL A 22 13.450 -0.641 -9.445 1.00 75.03 C ATOM 297 O VAL A 22 13.300 -1.721 -8.872 1.00 52.40 O ATOM 298 CB VAL A 22 15.141 0.757 -8.257 1.00 21.25 C ATOM 299 CG1 VAL A 22 16.028 0.151 -9.333 1.00 72.35 C ATOM 300 CG2 VAL A 22 15.515 2.209 -8.001 1.00 41.13 C ATOM 0 H VAL A 22 12.814 -0.163 -6.910 1.00 74.40 H new ATOM 0 HA VAL A 22 13.388 1.499 -9.271 1.00 74.14 H new ATOM 0 HB VAL A 22 15.297 0.197 -7.335 1.00 21.25 H new ATOM 0 HG11 VAL A 22 17.073 0.241 -9.036 1.00 72.35 H new ATOM 0 HG12 VAL A 22 15.776 -0.902 -9.462 1.00 72.35 H new ATOM 0 HG13 VAL A 22 15.871 0.679 -10.274 1.00 72.35 H new ATOM 0 HG21 VAL A 22 16.567 2.270 -7.724 1.00 41.13 H new ATOM 0 HG22 VAL A 22 15.343 2.794 -8.905 1.00 41.13 H new ATOM 0 HG23 VAL A 22 14.903 2.605 -7.191 1.00 41.13 H new ATOM 310 N HIS A 23 13.443 -0.518 -10.769 1.00 14.21 N ATOM 311 CA HIS A 23 13.255 -1.670 -11.643 1.00 71.20 C ATOM 312 C HIS A 23 14.417 -1.804 -12.623 1.00 13.30 C ATOM 313 O HIS A 23 14.579 -0.981 -13.525 1.00 34.22 O ATOM 314 CB HIS A 23 11.938 -1.547 -12.409 1.00 53.44 C ATOM 315 CG HIS A 23 11.541 -2.801 -13.125 1.00 30.11 C ATOM 316 ND1 HIS A 23 10.297 -2.983 -13.691 1.00 32.41 N ATOM 317 CD2 HIS A 23 12.233 -3.939 -13.367 1.00 31.05 C ATOM 318 CE1 HIS A 23 10.240 -4.180 -14.248 1.00 41.21 C ATOM 319 NE2 HIS A 23 11.402 -4.780 -14.066 1.00 5.13 N ATOM 0 H HIS A 23 13.565 0.368 -11.260 1.00 14.21 H new ATOM 0 HA HIS A 23 13.222 -2.565 -11.021 1.00 71.20 H new ATOM 0 HB2 HIS A 23 11.147 -1.270 -11.712 1.00 53.44 H new ATOM 0 HB3 HIS A 23 12.023 -0.737 -13.133 1.00 53.44 H new ATOM 0 HD2 HIS A 23 13.249 -4.147 -13.066 1.00 31.05 H new ATOM 0 HE1 HIS A 23 9.388 -4.597 -14.764 1.00 41.21 H new ATOM 0 HE2 HIS A 23 11.643 -5.716 -14.392 1.00 5.13 H new ATOM 327 N TYR A 24 15.222 -2.844 -12.439 1.00 44.44 N ATOM 328 CA TYR A 24 16.371 -3.083 -13.305 1.00 40.32 C ATOM 329 C TYR A 24 16.073 -4.189 -14.313 1.00 10.04 C ATOM 330 O TYR A 24 15.862 -5.344 -13.941 1.00 52.40 O ATOM 331 CB TYR A 24 17.597 -3.455 -12.470 1.00 21.12 C ATOM 332 CG TYR A 24 18.882 -3.498 -13.266 1.00 11.11 C ATOM 333 CD1 TYR A 24 19.125 -4.519 -14.176 1.00 21.44 C ATOM 334 CD2 TYR A 24 19.852 -2.516 -13.109 1.00 3.22 C ATOM 335 CE1 TYR A 24 20.298 -4.563 -14.904 1.00 51.33 C ATOM 336 CE2 TYR A 24 21.027 -2.550 -13.834 1.00 65.34 C ATOM 337 CZ TYR A 24 21.246 -3.576 -14.730 1.00 52.14 C ATOM 338 OH TYR A 24 22.415 -3.615 -15.455 1.00 53.24 O ATOM 0 H TYR A 24 15.101 -3.535 -11.699 1.00 44.44 H new ATOM 0 HA TYR A 24 16.578 -2.164 -13.853 1.00 40.32 H new ATOM 0 HB2 TYR A 24 17.706 -2.735 -11.659 1.00 21.12 H new ATOM 0 HB3 TYR A 24 17.431 -4.430 -12.011 1.00 21.12 H new ATOM 0 HD1 TYR A 24 18.384 -5.292 -14.317 1.00 21.44 H new ATOM 0 HD2 TYR A 24 19.684 -1.712 -12.408 1.00 3.22 H new ATOM 0 HE1 TYR A 24 20.472 -5.366 -15.605 1.00 51.33 H new ATOM 0 HE2 TYR A 24 21.770 -1.778 -13.700 1.00 65.34 H new ATOM 0 HH TYR A 24 22.974 -2.847 -15.215 1.00 53.24 H new ATOM 348 N LYS A 25 16.058 -3.828 -15.591 1.00 42.51 N ATOM 349 CA LYS A 25 15.788 -4.787 -16.655 1.00 64.30 C ATOM 350 C LYS A 25 16.880 -4.741 -17.719 1.00 41.13 C ATOM 351 O LYS A 25 17.051 -3.732 -18.403 1.00 2.41 O ATOM 352 CB LYS A 25 14.427 -4.503 -17.293 1.00 72.12 C ATOM 353 CG LYS A 25 14.157 -5.324 -18.543 1.00 5.24 C ATOM 354 CD LYS A 25 12.779 -5.035 -19.113 1.00 31.33 C ATOM 355 CE LYS A 25 11.715 -5.912 -18.470 1.00 22.20 C ATOM 356 NZ LYS A 25 11.628 -7.248 -19.123 1.00 43.31 N ATOM 0 H LYS A 25 16.230 -2.876 -15.916 1.00 42.51 H new ATOM 0 HA LYS A 25 15.775 -5.785 -16.216 1.00 64.30 H new ATOM 0 HB2 LYS A 25 13.644 -4.702 -16.562 1.00 72.12 H new ATOM 0 HB3 LYS A 25 14.367 -3.444 -17.544 1.00 72.12 H new ATOM 0 HG2 LYS A 25 14.916 -5.105 -19.294 1.00 5.24 H new ATOM 0 HG3 LYS A 25 14.239 -6.385 -18.307 1.00 5.24 H new ATOM 0 HD2 LYS A 25 12.531 -3.985 -18.955 1.00 31.33 H new ATOM 0 HD3 LYS A 25 12.787 -5.202 -20.190 1.00 31.33 H new ATOM 0 HE2 LYS A 25 11.941 -6.039 -17.411 1.00 22.20 H new ATOM 0 HE3 LYS A 25 10.748 -5.414 -18.532 1.00 22.20 H new ATOM 0 HZ1 LYS A 25 10.892 -7.815 -18.656 1.00 43.31 H new ATOM 0 HZ2 LYS A 25 11.388 -7.128 -20.128 1.00 43.31 H new ATOM 0 HZ3 LYS A 25 12.544 -7.734 -19.042 1.00 43.31 H new ATOM 370 N SER A 26 17.615 -5.840 -17.855 1.00 61.11 N ATOM 371 CA SER A 26 18.692 -5.923 -18.835 1.00 32.50 C ATOM 372 C SER A 26 18.615 -7.232 -19.616 1.00 51.55 C ATOM 373 O SER A 26 17.976 -8.189 -19.182 1.00 22.31 O ATOM 374 CB SER A 26 20.051 -5.809 -18.142 1.00 32.43 C ATOM 375 OG SER A 26 20.336 -4.465 -17.797 1.00 0.04 O ATOM 0 H SER A 26 17.485 -6.685 -17.299 1.00 61.11 H new ATOM 0 HA SER A 26 18.579 -5.095 -19.534 1.00 32.50 H new ATOM 0 HB2 SER A 26 20.058 -6.427 -17.244 1.00 32.43 H new ATOM 0 HB3 SER A 26 20.831 -6.192 -18.799 1.00 32.43 H new ATOM 0 HG SER A 26 20.014 -4.285 -16.889 1.00 0.04 H new ATOM 381 N GLU A 27 19.271 -7.263 -20.772 1.00 50.53 N ATOM 382 CA GLU A 27 19.276 -8.452 -21.615 1.00 63.42 C ATOM 383 C GLU A 27 20.193 -9.526 -21.035 1.00 41.34 C ATOM 384 O GLU A 27 20.141 -10.687 -21.441 1.00 33.13 O ATOM 385 CB GLU A 27 19.723 -8.097 -23.035 1.00 2.12 C ATOM 386 CG GLU A 27 21.199 -7.751 -23.140 1.00 11.44 C ATOM 387 CD GLU A 27 21.529 -6.982 -24.404 1.00 64.24 C ATOM 388 OE1 GLU A 27 20.598 -6.416 -25.014 1.00 40.02 O ATOM 389 OE2 GLU A 27 22.718 -6.947 -24.784 1.00 63.14 O ATOM 0 H GLU A 27 19.805 -6.479 -21.146 1.00 50.53 H new ATOM 0 HA GLU A 27 18.260 -8.845 -21.650 1.00 63.42 H new ATOM 0 HB2 GLU A 27 19.508 -8.937 -23.695 1.00 2.12 H new ATOM 0 HB3 GLU A 27 19.134 -7.252 -23.392 1.00 2.12 H new ATOM 0 HG2 GLU A 27 21.492 -7.160 -22.272 1.00 11.44 H new ATOM 0 HG3 GLU A 27 21.786 -8.669 -23.114 1.00 11.44 H new ATOM 396 N ASP A 28 21.032 -9.128 -20.086 1.00 25.24 N ATOM 397 CA ASP A 28 21.961 -10.055 -19.449 1.00 21.10 C ATOM 398 C ASP A 28 21.464 -10.456 -18.063 1.00 45.04 C ATOM 399 O ASP A 28 21.807 -11.524 -17.557 1.00 15.24 O ATOM 400 CB ASP A 28 23.351 -9.426 -19.344 1.00 2.02 C ATOM 401 CG ASP A 28 24.461 -10.430 -19.585 1.00 70.30 C ATOM 402 OD1 ASP A 28 24.765 -10.706 -20.764 1.00 41.02 O ATOM 403 OD2 ASP A 28 25.025 -10.941 -18.595 1.00 31.25 O ATOM 0 H ASP A 28 21.089 -8.170 -19.740 1.00 25.24 H new ATOM 0 HA ASP A 28 22.022 -10.951 -20.067 1.00 21.10 H new ATOM 0 HB2 ASP A 28 23.435 -8.615 -20.068 1.00 2.02 H new ATOM 0 HB3 ASP A 28 23.473 -8.984 -18.355 1.00 2.02 H new ATOM 408 N GLU A 29 20.657 -9.592 -17.457 1.00 0.44 N ATOM 409 CA GLU A 29 20.116 -9.856 -16.129 1.00 15.22 C ATOM 410 C GLU A 29 18.882 -8.998 -15.864 1.00 14.02 C ATOM 411 O GLU A 29 18.615 -8.037 -16.585 1.00 22.21 O ATOM 412 CB GLU A 29 21.176 -9.588 -15.059 1.00 12.23 C ATOM 413 CG GLU A 29 21.442 -8.111 -14.822 1.00 44.35 C ATOM 414 CD GLU A 29 22.764 -7.861 -14.122 1.00 71.00 C ATOM 415 OE1 GLU A 29 22.819 -8.024 -12.885 1.00 61.51 O ATOM 416 OE2 GLU A 29 23.742 -7.502 -14.810 1.00 62.20 O ATOM 0 H GLU A 29 20.363 -8.704 -17.864 1.00 0.44 H new ATOM 0 HA GLU A 29 19.824 -10.905 -16.086 1.00 15.22 H new ATOM 0 HB2 GLU A 29 20.858 -10.046 -14.122 1.00 12.23 H new ATOM 0 HB3 GLU A 29 22.107 -10.074 -15.352 1.00 12.23 H new ATOM 0 HG2 GLU A 29 21.436 -7.587 -15.778 1.00 44.35 H new ATOM 0 HG3 GLU A 29 20.633 -7.691 -14.224 1.00 44.35 H new ATOM 423 N GLU A 30 18.133 -9.354 -14.825 1.00 13.34 N ATOM 424 CA GLU A 30 16.926 -8.617 -14.466 1.00 24.44 C ATOM 425 C GLU A 30 16.578 -8.828 -12.995 1.00 31.01 C ATOM 426 O GLU A 30 16.424 -9.961 -12.538 1.00 71.13 O ATOM 427 CB GLU A 30 15.754 -9.055 -15.346 1.00 41.54 C ATOM 428 CG GLU A 30 14.479 -8.267 -15.097 1.00 73.31 C ATOM 429 CD GLU A 30 13.367 -8.636 -16.061 1.00 25.45 C ATOM 430 OE1 GLU A 30 13.661 -9.301 -17.076 1.00 75.15 O ATOM 431 OE2 GLU A 30 12.206 -8.261 -15.799 1.00 53.22 O ATOM 0 H GLU A 30 18.340 -10.147 -14.218 1.00 13.34 H new ATOM 0 HA GLU A 30 17.117 -7.556 -14.629 1.00 24.44 H new ATOM 0 HB2 GLU A 30 16.038 -8.950 -16.393 1.00 41.54 H new ATOM 0 HB3 GLU A 30 15.557 -10.113 -15.174 1.00 41.54 H new ATOM 0 HG2 GLU A 30 14.142 -8.442 -14.075 1.00 73.31 H new ATOM 0 HG3 GLU A 30 14.692 -7.202 -15.184 1.00 73.31 H new ATOM 438 N TYR A 31 16.456 -7.729 -12.259 1.00 32.01 N ATOM 439 CA TYR A 31 16.129 -7.792 -10.839 1.00 72.24 C ATOM 440 C TYR A 31 15.491 -6.489 -10.369 1.00 10.33 C ATOM 441 O TYR A 31 15.588 -5.459 -11.036 1.00 44.14 O ATOM 442 CB TYR A 31 17.385 -8.084 -10.018 1.00 24.05 C ATOM 443 CG TYR A 31 18.453 -7.021 -10.145 1.00 52.22 C ATOM 444 CD1 TYR A 31 18.342 -5.812 -9.469 1.00 60.21 C ATOM 445 CD2 TYR A 31 19.573 -7.226 -10.942 1.00 0.44 C ATOM 446 CE1 TYR A 31 19.315 -4.838 -9.584 1.00 14.14 C ATOM 447 CE2 TYR A 31 20.551 -6.257 -11.061 1.00 23.51 C ATOM 448 CZ TYR A 31 20.417 -5.065 -10.380 1.00 63.24 C ATOM 449 OH TYR A 31 21.389 -4.098 -10.496 1.00 10.31 O ATOM 0 H TYR A 31 16.579 -6.784 -12.622 1.00 32.01 H new ATOM 0 HA TYR A 31 15.412 -8.600 -10.692 1.00 72.24 H new ATOM 0 HB2 TYR A 31 17.108 -8.185 -8.969 1.00 24.05 H new ATOM 0 HB3 TYR A 31 17.799 -9.042 -10.332 1.00 24.05 H new ATOM 0 HD1 TYR A 31 17.481 -5.631 -8.843 1.00 60.21 H new ATOM 0 HD2 TYR A 31 19.681 -8.158 -11.477 1.00 0.44 H new ATOM 0 HE1 TYR A 31 19.213 -3.903 -9.053 1.00 14.14 H new ATOM 0 HE2 TYR A 31 21.416 -6.432 -11.684 1.00 23.51 H new ATOM 0 HH TYR A 31 21.149 -3.478 -11.216 1.00 10.31 H new ATOM 459 N LYS A 32 14.838 -6.541 -9.213 1.00 32.02 N ATOM 460 CA LYS A 32 14.184 -5.366 -8.649 1.00 4.12 C ATOM 461 C LYS A 32 14.424 -5.280 -7.145 1.00 12.42 C ATOM 462 O LYS A 32 14.290 -6.271 -6.428 1.00 12.15 O ATOM 463 CB LYS A 32 12.682 -5.406 -8.935 1.00 54.43 C ATOM 464 CG LYS A 32 12.326 -5.044 -10.367 1.00 34.21 C ATOM 465 CD LYS A 32 11.204 -5.920 -10.901 1.00 3.33 C ATOM 466 CE LYS A 32 11.747 -7.157 -11.599 1.00 45.23 C ATOM 467 NZ LYS A 32 10.669 -7.932 -12.273 1.00 41.20 N ATOM 0 H LYS A 32 14.748 -7.385 -8.648 1.00 32.02 H new ATOM 0 HA LYS A 32 14.613 -4.481 -9.119 1.00 4.12 H new ATOM 0 HB2 LYS A 32 12.306 -6.406 -8.717 1.00 54.43 H new ATOM 0 HB3 LYS A 32 12.173 -4.719 -8.258 1.00 54.43 H new ATOM 0 HG2 LYS A 32 12.026 -3.997 -10.415 1.00 34.21 H new ATOM 0 HG3 LYS A 32 13.206 -5.152 -11.000 1.00 34.21 H new ATOM 0 HD2 LYS A 32 10.553 -6.220 -10.080 1.00 3.33 H new ATOM 0 HD3 LYS A 32 10.593 -5.346 -11.598 1.00 3.33 H new ATOM 0 HE2 LYS A 32 12.495 -6.860 -12.334 1.00 45.23 H new ATOM 0 HE3 LYS A 32 12.251 -7.793 -10.871 1.00 45.23 H new ATOM 0 HZ1 LYS A 32 11.080 -8.767 -12.737 1.00 41.20 H new ATOM 0 HZ2 LYS A 32 9.968 -8.237 -11.568 1.00 41.20 H new ATOM 0 HZ3 LYS A 32 10.205 -7.334 -12.986 1.00 41.20 H new ATOM 481 N SER A 33 14.777 -4.088 -6.674 1.00 2.12 N ATOM 482 CA SER A 33 15.037 -3.873 -5.255 1.00 64.21 C ATOM 483 C SER A 33 15.119 -2.383 -4.937 1.00 70.23 C ATOM 484 O SER A 33 15.583 -1.587 -5.754 1.00 3.35 O ATOM 485 CB SER A 33 16.337 -4.566 -4.843 1.00 25.23 C ATOM 486 OG SER A 33 16.120 -5.940 -4.573 1.00 35.14 O ATOM 0 H SER A 33 14.889 -3.257 -7.254 1.00 2.12 H new ATOM 0 HA SER A 33 14.209 -4.302 -4.690 1.00 64.21 H new ATOM 0 HB2 SER A 33 17.076 -4.461 -5.637 1.00 25.23 H new ATOM 0 HB3 SER A 33 16.748 -4.079 -3.959 1.00 25.23 H new ATOM 0 HG SER A 33 15.264 -6.218 -4.960 1.00 35.14 H new ATOM 492 N CYS A 34 14.664 -2.013 -3.745 1.00 20.42 N ATOM 493 CA CYS A 34 14.684 -0.620 -3.317 1.00 11.13 C ATOM 494 C CYS A 34 14.085 -0.471 -1.921 1.00 22.11 C ATOM 495 O CYS A 34 13.850 -1.459 -1.226 1.00 43.22 O ATOM 496 CB CYS A 34 13.913 0.252 -4.310 1.00 32.41 C ATOM 497 SG CYS A 34 14.752 1.810 -4.739 1.00 44.24 S ATOM 0 H CYS A 34 14.277 -2.659 -3.058 1.00 20.42 H new ATOM 0 HA CYS A 34 15.723 -0.291 -3.285 1.00 11.13 H new ATOM 0 HB2 CYS A 34 13.742 -0.319 -5.222 1.00 32.41 H new ATOM 0 HB3 CYS A 34 12.934 0.483 -3.890 1.00 32.41 H new ATOM 0 HG CYS A 34 15.946 1.816 -4.224 1.00 44.24 H new ATOM 502 N GLY A 35 13.841 0.772 -1.517 1.00 75.03 N ATOM 503 CA GLY A 35 13.271 1.028 -0.207 1.00 64.01 C ATOM 504 C GLY A 35 13.259 2.503 0.141 1.00 11.14 C ATOM 505 O GLY A 35 12.232 3.170 0.009 1.00 44.24 O ATOM 0 H GLY A 35 14.028 1.606 -2.073 1.00 75.03 H new ATOM 0 HA2 GLY A 35 12.252 0.642 -0.176 1.00 64.01 H new ATOM 0 HA3 GLY A 35 13.841 0.485 0.547 1.00 64.01 H new ATOM 509 N ILE A 36 14.401 3.013 0.590 1.00 51.22 N ATOM 510 CA ILE A 36 14.516 4.419 0.959 1.00 65.41 C ATOM 511 C ILE A 36 15.305 5.199 -0.087 1.00 64.42 C ATOM 512 O ILE A 36 16.349 4.745 -0.556 1.00 51.43 O ATOM 513 CB ILE A 36 15.198 4.586 2.330 1.00 51.32 C ATOM 514 CG1 ILE A 36 16.429 3.683 2.426 1.00 42.23 C ATOM 515 CG2 ILE A 36 14.217 4.275 3.450 1.00 22.34 C ATOM 516 CD1 ILE A 36 17.223 3.877 3.699 1.00 72.41 C ATOM 0 H ILE A 36 15.259 2.474 0.707 1.00 51.22 H new ATOM 0 HA ILE A 36 13.502 4.815 1.015 1.00 65.41 H new ATOM 0 HB ILE A 36 15.522 5.621 2.434 1.00 51.32 H new ATOM 0 HG12 ILE A 36 16.112 2.642 2.360 1.00 42.23 H new ATOM 0 HG13 ILE A 36 17.077 3.874 1.571 1.00 42.23 H new ATOM 0 HG21 ILE A 36 14.713 4.397 4.413 1.00 22.34 H new ATOM 0 HG22 ILE A 36 13.368 4.956 3.390 1.00 22.34 H new ATOM 0 HG23 ILE A 36 13.865 3.248 3.351 1.00 22.34 H new ATOM 0 HD11 ILE A 36 18.081 3.205 3.699 1.00 72.41 H new ATOM 0 HD12 ILE A 36 17.570 4.908 3.758 1.00 72.41 H new ATOM 0 HD13 ILE A 36 16.591 3.658 4.559 1.00 72.41 H new ATOM 528 N GLN A 37 14.800 6.374 -0.446 1.00 50.24 N ATOM 529 CA GLN A 37 15.459 7.218 -1.437 1.00 14.05 C ATOM 530 C GLN A 37 16.932 7.410 -1.094 1.00 43.11 C ATOM 531 O GLN A 37 17.772 7.553 -1.982 1.00 54.25 O ATOM 532 CB GLN A 37 14.762 8.577 -1.524 1.00 72.10 C ATOM 533 CG GLN A 37 15.224 9.423 -2.699 1.00 42.22 C ATOM 534 CD GLN A 37 14.214 9.454 -3.829 1.00 40.31 C ATOM 535 OE1 GLN A 37 13.562 10.471 -4.066 1.00 51.55 O ATOM 536 NE2 GLN A 37 14.079 8.337 -4.534 1.00 21.11 N ATOM 0 H GLN A 37 13.937 6.764 -0.066 1.00 50.24 H new ATOM 0 HA GLN A 37 15.392 6.720 -2.404 1.00 14.05 H new ATOM 0 HB2 GLN A 37 13.686 8.420 -1.601 1.00 72.10 H new ATOM 0 HB3 GLN A 37 14.939 9.127 -0.599 1.00 72.10 H new ATOM 0 HG2 GLN A 37 15.412 10.441 -2.357 1.00 42.22 H new ATOM 0 HG3 GLN A 37 16.170 9.032 -3.073 1.00 42.22 H new ATOM 0 HE21 GLN A 37 14.640 7.517 -4.303 1.00 21.11 H new ATOM 0 HE22 GLN A 37 13.414 8.299 -5.307 1.00 21.11 H new ATOM 545 N GLU A 38 17.239 7.412 0.200 1.00 51.55 N ATOM 546 CA GLU A 38 18.612 7.588 0.658 1.00 12.52 C ATOM 547 C GLU A 38 19.503 6.458 0.153 1.00 23.31 C ATOM 548 O GLU A 38 20.655 6.681 -0.219 1.00 31.15 O ATOM 549 CB GLU A 38 18.659 7.646 2.186 1.00 21.05 C ATOM 550 CG GLU A 38 18.318 9.013 2.755 1.00 51.21 C ATOM 551 CD GLU A 38 18.571 9.104 4.247 1.00 10.23 C ATOM 552 OE1 GLU A 38 19.753 9.104 4.650 1.00 32.13 O ATOM 553 OE2 GLU A 38 17.586 9.176 5.012 1.00 2.10 O ATOM 0 H GLU A 38 16.556 7.294 0.948 1.00 51.55 H new ATOM 0 HA GLU A 38 18.985 8.529 0.254 1.00 12.52 H new ATOM 0 HB2 GLU A 38 17.964 6.910 2.590 1.00 21.05 H new ATOM 0 HB3 GLU A 38 19.656 7.361 2.521 1.00 21.05 H new ATOM 0 HG2 GLU A 38 18.909 9.773 2.243 1.00 51.21 H new ATOM 0 HG3 GLU A 38 17.270 9.235 2.554 1.00 51.21 H new ATOM 560 N GLU A 39 18.961 5.244 0.144 1.00 64.23 N ATOM 561 CA GLU A 39 19.708 4.078 -0.314 1.00 42.02 C ATOM 562 C GLU A 39 19.607 3.928 -1.829 1.00 61.14 C ATOM 563 O GLU A 39 20.597 3.643 -2.504 1.00 21.11 O ATOM 564 CB GLU A 39 19.190 2.812 0.370 1.00 20.45 C ATOM 565 CG GLU A 39 19.556 2.722 1.843 1.00 53.44 C ATOM 566 CD GLU A 39 20.992 2.290 2.062 1.00 65.34 C ATOM 567 OE1 GLU A 39 21.366 1.203 1.573 1.00 4.05 O ATOM 568 OE2 GLU A 39 21.743 3.039 2.721 1.00 31.04 O ATOM 0 H GLU A 39 18.009 5.042 0.448 1.00 64.23 H new ATOM 0 HA GLU A 39 20.755 4.223 -0.049 1.00 42.02 H new ATOM 0 HB2 GLU A 39 18.105 2.774 0.271 1.00 20.45 H new ATOM 0 HB3 GLU A 39 19.589 1.940 -0.149 1.00 20.45 H new ATOM 0 HG2 GLU A 39 19.397 3.693 2.313 1.00 53.44 H new ATOM 0 HG3 GLU A 39 18.889 2.016 2.337 1.00 53.44 H new ATOM 575 N CYS A 40 18.404 4.121 -2.358 1.00 55.22 N ATOM 576 CA CYS A 40 18.171 4.007 -3.793 1.00 34.22 C ATOM 577 C CYS A 40 18.984 5.045 -4.560 1.00 61.04 C ATOM 578 O CYS A 40 19.483 4.773 -5.652 1.00 13.20 O ATOM 579 CB CYS A 40 16.682 4.177 -4.104 1.00 64.02 C ATOM 580 SG CYS A 40 15.859 2.649 -4.658 1.00 43.34 S ATOM 0 H CYS A 40 17.574 4.357 -1.814 1.00 55.22 H new ATOM 0 HA CYS A 40 18.491 3.014 -4.110 1.00 34.22 H new ATOM 0 HB2 CYS A 40 16.176 4.547 -3.213 1.00 64.02 H new ATOM 0 HB3 CYS A 40 16.567 4.939 -4.875 1.00 64.02 H new ATOM 0 HG CYS A 40 14.734 2.507 -4.022 1.00 43.34 H new ATOM 585 N GLU A 41 19.113 6.234 -3.981 1.00 1.33 N ATOM 586 CA GLU A 41 19.865 7.313 -4.611 1.00 24.12 C ATOM 587 C GLU A 41 21.309 6.891 -4.869 1.00 21.15 C ATOM 588 O GLU A 41 21.991 7.462 -5.720 1.00 24.43 O ATOM 589 CB GLU A 41 19.838 8.565 -3.732 1.00 13.11 C ATOM 590 CG GLU A 41 20.577 9.748 -4.334 1.00 63.12 C ATOM 591 CD GLU A 41 22.025 9.818 -3.890 1.00 3.44 C ATOM 592 OE1 GLU A 41 22.278 9.718 -2.671 1.00 11.51 O ATOM 593 OE2 GLU A 41 22.906 9.973 -4.761 1.00 40.35 O ATOM 0 H GLU A 41 18.707 6.475 -3.077 1.00 1.33 H new ATOM 0 HA GLU A 41 19.394 7.539 -5.567 1.00 24.12 H new ATOM 0 HB2 GLU A 41 18.801 8.849 -3.551 1.00 13.11 H new ATOM 0 HB3 GLU A 41 20.277 8.328 -2.763 1.00 13.11 H new ATOM 0 HG2 GLU A 41 20.537 9.682 -5.421 1.00 63.12 H new ATOM 0 HG3 GLU A 41 20.069 10.670 -4.052 1.00 63.12 H new ATOM 600 N ASP A 42 21.767 5.888 -4.127 1.00 44.50 N ATOM 601 CA ASP A 42 23.129 5.389 -4.275 1.00 24.34 C ATOM 602 C ASP A 42 23.439 5.078 -5.736 1.00 31.34 C ATOM 603 O ASP A 42 24.582 5.191 -6.176 1.00 4.21 O ATOM 604 CB ASP A 42 23.331 4.137 -3.420 1.00 25.42 C ATOM 605 CG ASP A 42 24.792 3.750 -3.295 1.00 61.05 C ATOM 606 OD1 ASP A 42 25.565 4.535 -2.707 1.00 61.35 O ATOM 607 OD2 ASP A 42 25.162 2.663 -3.787 1.00 4.01 O ATOM 0 H ASP A 42 21.215 5.405 -3.418 1.00 44.50 H new ATOM 0 HA ASP A 42 23.813 6.166 -3.935 1.00 24.34 H new ATOM 0 HB2 ASP A 42 22.917 4.309 -2.426 1.00 25.42 H new ATOM 0 HB3 ASP A 42 22.775 3.308 -3.858 1.00 25.42 H new ATOM 612 N ALA A 43 22.412 4.684 -6.482 1.00 20.02 N ATOM 613 CA ALA A 43 22.574 4.357 -7.893 1.00 41.41 C ATOM 614 C ALA A 43 22.874 5.607 -8.715 1.00 30.43 C ATOM 615 O ALA A 43 21.969 6.224 -9.274 1.00 74.03 O ATOM 616 CB ALA A 43 21.327 3.663 -8.421 1.00 3.13 C ATOM 0 H ALA A 43 21.459 4.584 -6.132 1.00 20.02 H new ATOM 0 HA ALA A 43 23.422 3.678 -7.988 1.00 41.41 H new ATOM 0 HB1 ALA A 43 21.462 3.425 -9.476 1.00 3.13 H new ATOM 0 HB2 ALA A 43 21.157 2.744 -7.860 1.00 3.13 H new ATOM 0 HB3 ALA A 43 20.467 4.323 -8.305 1.00 3.13 H new ATOM 622 N GLU A 44 24.150 5.973 -8.782 1.00 1.13 N ATOM 623 CA GLU A 44 24.568 7.150 -9.534 1.00 54.31 C ATOM 624 C GLU A 44 24.497 6.889 -11.036 1.00 4.10 C ATOM 625 O GLU A 44 24.711 5.767 -11.493 1.00 30.14 O ATOM 626 CB GLU A 44 25.990 7.556 -9.142 1.00 31.21 C ATOM 627 CG GLU A 44 26.390 8.933 -9.643 1.00 43.13 C ATOM 628 CD GLU A 44 27.725 9.391 -9.088 1.00 31.12 C ATOM 629 OE1 GLU A 44 27.841 9.515 -7.850 1.00 55.44 O ATOM 630 OE2 GLU A 44 28.653 9.625 -9.889 1.00 61.15 O ATOM 0 H GLU A 44 24.912 5.472 -8.325 1.00 1.13 H new ATOM 0 HA GLU A 44 23.886 7.965 -9.291 1.00 54.31 H new ATOM 0 HB2 GLU A 44 26.079 7.534 -8.056 1.00 31.21 H new ATOM 0 HB3 GLU A 44 26.690 6.818 -9.534 1.00 31.21 H new ATOM 0 HG2 GLU A 44 26.439 8.919 -10.732 1.00 43.13 H new ATOM 0 HG3 GLU A 44 25.620 9.654 -9.368 1.00 43.13 H new ATOM 637 N GLY A 45 24.195 7.935 -11.799 1.00 44.23 N ATOM 638 CA GLY A 45 24.101 7.799 -13.241 1.00 64.11 C ATOM 639 C GLY A 45 22.666 7.753 -13.727 1.00 2.53 C ATOM 640 O GLY A 45 22.338 8.321 -14.768 1.00 61.02 O ATOM 0 H GLY A 45 24.014 8.874 -11.444 1.00 44.23 H new ATOM 0 HA2 GLY A 45 24.615 8.634 -13.716 1.00 64.11 H new ATOM 0 HA3 GLY A 45 24.616 6.890 -13.551 1.00 64.11 H new ATOM 644 N ALA A 46 21.809 7.075 -12.971 1.00 73.03 N ATOM 645 CA ALA A 46 20.401 6.958 -13.331 1.00 31.14 C ATOM 646 C ALA A 46 19.507 7.562 -12.253 1.00 22.33 C ATOM 647 O ALA A 46 19.812 7.483 -11.062 1.00 72.40 O ATOM 648 CB ALA A 46 20.036 5.500 -13.566 1.00 32.42 C ATOM 0 H ALA A 46 22.065 6.599 -12.106 1.00 73.03 H new ATOM 0 HA ALA A 46 20.240 7.515 -14.254 1.00 31.14 H new ATOM 0 HB1 ALA A 46 18.982 5.427 -13.834 1.00 32.42 H new ATOM 0 HB2 ALA A 46 20.645 5.099 -14.376 1.00 32.42 H new ATOM 0 HB3 ALA A 46 20.219 4.928 -12.657 1.00 32.42 H new ATOM 654 N THR A 47 18.402 8.167 -12.677 1.00 71.40 N ATOM 655 CA THR A 47 17.465 8.786 -11.748 1.00 72.33 C ATOM 656 C THR A 47 16.467 7.765 -11.212 1.00 2.51 C ATOM 657 O THR A 47 16.005 6.890 -11.944 1.00 23.24 O ATOM 658 CB THR A 47 16.693 9.940 -12.415 1.00 71.01 C ATOM 659 OG1 THR A 47 17.561 10.668 -13.291 1.00 74.34 O ATOM 660 CG2 THR A 47 16.116 10.881 -11.368 1.00 73.23 C ATOM 0 H THR A 47 18.134 8.241 -13.658 1.00 71.40 H new ATOM 0 HA THR A 47 18.054 9.183 -10.921 1.00 72.33 H new ATOM 0 HB THR A 47 15.871 9.514 -12.990 1.00 71.01 H new ATOM 0 HG1 THR A 47 17.062 11.399 -13.712 1.00 74.34 H new ATOM 0 HG21 THR A 47 15.575 11.688 -11.863 1.00 73.23 H new ATOM 0 HG22 THR A 47 15.434 10.330 -10.720 1.00 73.23 H new ATOM 0 HG23 THR A 47 16.925 11.300 -10.770 1.00 73.23 H new ATOM 668 N VAL A 48 16.138 7.884 -9.930 1.00 12.44 N ATOM 669 CA VAL A 48 15.193 6.973 -9.295 1.00 51.03 C ATOM 670 C VAL A 48 13.827 7.628 -9.126 1.00 53.13 C ATOM 671 O VAL A 48 13.692 8.640 -8.436 1.00 71.53 O ATOM 672 CB VAL A 48 15.701 6.507 -7.918 1.00 14.32 C ATOM 673 CG1 VAL A 48 14.685 5.587 -7.257 1.00 43.14 C ATOM 674 CG2 VAL A 48 17.049 5.817 -8.053 1.00 64.12 C ATOM 0 H VAL A 48 16.512 8.603 -9.310 1.00 12.44 H new ATOM 0 HA VAL A 48 15.099 6.107 -9.951 1.00 51.03 H new ATOM 0 HB VAL A 48 15.830 7.383 -7.282 1.00 14.32 H new ATOM 0 HG11 VAL A 48 15.061 5.268 -6.285 1.00 43.14 H new ATOM 0 HG12 VAL A 48 13.744 6.120 -7.124 1.00 43.14 H new ATOM 0 HG13 VAL A 48 14.521 4.713 -7.887 1.00 43.14 H new ATOM 0 HG21 VAL A 48 17.393 5.494 -7.070 1.00 64.12 H new ATOM 0 HG22 VAL A 48 16.950 4.950 -8.706 1.00 64.12 H new ATOM 0 HG23 VAL A 48 17.772 6.512 -8.480 1.00 64.12 H new ATOM 684 N LEU A 49 12.815 7.045 -9.760 1.00 50.40 N ATOM 685 CA LEU A 49 11.457 7.572 -9.680 1.00 32.12 C ATOM 686 C LEU A 49 10.473 6.480 -9.271 1.00 51.30 C ATOM 687 O LEU A 49 10.507 5.369 -9.800 1.00 54.15 O ATOM 688 CB LEU A 49 11.041 8.172 -11.024 1.00 61.32 C ATOM 689 CG LEU A 49 9.555 8.491 -11.185 1.00 55.55 C ATOM 690 CD1 LEU A 49 9.369 9.816 -11.909 1.00 71.14 C ATOM 691 CD2 LEU A 49 8.846 7.370 -11.931 1.00 14.10 C ATOM 0 H LEU A 49 12.909 6.208 -10.335 1.00 50.40 H new ATOM 0 HA LEU A 49 11.441 8.354 -8.920 1.00 32.12 H new ATOM 0 HB2 LEU A 49 11.608 9.090 -11.181 1.00 61.32 H new ATOM 0 HB3 LEU A 49 11.331 7.479 -11.814 1.00 61.32 H new ATOM 0 HG LEU A 49 9.112 8.577 -10.193 1.00 55.55 H new ATOM 0 HD11 LEU A 49 8.305 10.027 -12.015 1.00 71.14 H new ATOM 0 HD12 LEU A 49 9.842 10.613 -11.336 1.00 71.14 H new ATOM 0 HD13 LEU A 49 9.827 9.759 -12.896 1.00 71.14 H new ATOM 0 HD21 LEU A 49 7.789 7.615 -12.036 1.00 14.10 H new ATOM 0 HD22 LEU A 49 9.291 7.252 -12.919 1.00 14.10 H new ATOM 0 HD23 LEU A 49 8.949 6.439 -11.373 1.00 14.10 H new ATOM 703 N CYS A 50 9.596 6.805 -8.327 1.00 72.11 N ATOM 704 CA CYS A 50 8.600 5.854 -7.848 1.00 24.33 C ATOM 705 C CYS A 50 7.192 6.427 -7.980 1.00 63.10 C ATOM 706 O CYS A 50 6.990 7.637 -7.873 1.00 32.23 O ATOM 707 CB CYS A 50 8.878 5.485 -6.389 1.00 72.10 C ATOM 708 SG CYS A 50 8.153 3.895 -5.873 1.00 51.32 S ATOM 0 H CYS A 50 9.555 7.720 -7.878 1.00 72.11 H new ATOM 0 HA CYS A 50 8.666 4.956 -8.462 1.00 24.33 H new ATOM 0 HB2 CYS A 50 9.956 5.448 -6.234 1.00 72.10 H new ATOM 0 HB3 CYS A 50 8.490 6.275 -5.745 1.00 72.10 H new ATOM 713 N CYS A 51 6.222 5.550 -8.213 1.00 60.55 N ATOM 714 CA CYS A 51 4.833 5.966 -8.361 1.00 12.22 C ATOM 715 C CYS A 51 4.053 5.725 -7.071 1.00 50.34 C ATOM 716 O CYS A 51 4.364 4.829 -6.287 1.00 31.13 O ATOM 717 CB CYS A 51 4.172 5.213 -9.517 1.00 45.24 C ATOM 718 SG CYS A 51 5.298 4.841 -10.901 1.00 55.41 S ATOM 0 H CYS A 51 6.373 4.545 -8.304 1.00 60.55 H new ATOM 0 HA CYS A 51 4.822 7.034 -8.579 1.00 12.22 H new ATOM 0 HB2 CYS A 51 3.757 4.279 -9.138 1.00 45.24 H new ATOM 0 HB3 CYS A 51 3.336 5.804 -9.891 1.00 45.24 H new ATOM 723 N PRO A 52 3.015 6.544 -6.846 1.00 74.13 N ATOM 724 CA PRO A 52 2.168 6.439 -5.654 1.00 41.40 C ATOM 725 C PRO A 52 1.302 5.184 -5.666 1.00 41.31 C ATOM 726 O PRO A 52 0.647 4.862 -4.676 1.00 2.35 O ATOM 727 CB PRO A 52 1.293 7.693 -5.729 1.00 5.31 C ATOM 728 CG PRO A 52 1.252 8.040 -7.177 1.00 50.31 C ATOM 729 CD PRO A 52 2.587 7.634 -7.739 1.00 14.34 C ATOM 0 HA PRO A 52 2.758 6.368 -4.740 1.00 41.40 H new ATOM 0 HB2 PRO A 52 0.293 7.502 -5.339 1.00 5.31 H new ATOM 0 HB3 PRO A 52 1.715 8.506 -5.139 1.00 5.31 H new ATOM 0 HG2 PRO A 52 0.441 7.515 -7.681 1.00 50.31 H new ATOM 0 HG3 PRO A 52 1.078 9.107 -7.318 1.00 50.31 H new ATOM 0 HD2 PRO A 52 2.503 7.297 -8.772 1.00 14.34 H new ATOM 0 HD3 PRO A 52 3.295 8.462 -7.730 1.00 14.34 H new ATOM 737 N GLU A 53 1.305 4.480 -6.794 1.00 34.14 N ATOM 738 CA GLU A 53 0.518 3.260 -6.933 1.00 41.00 C ATOM 739 C GLU A 53 1.338 2.036 -6.537 1.00 22.42 C ATOM 740 O GLU A 53 2.493 2.155 -6.127 1.00 32.24 O ATOM 741 CB GLU A 53 0.020 3.110 -8.372 1.00 33.21 C ATOM 742 CG GLU A 53 -1.171 3.995 -8.699 1.00 40.31 C ATOM 743 CD GLU A 53 -0.799 5.462 -8.794 1.00 4.25 C ATOM 744 OE1 GLU A 53 0.143 5.787 -9.547 1.00 10.20 O ATOM 745 OE2 GLU A 53 -1.448 6.285 -8.114 1.00 61.44 O ATOM 0 H GLU A 53 1.843 4.733 -7.623 1.00 34.14 H new ATOM 0 HA GLU A 53 -0.340 3.333 -6.265 1.00 41.00 H new ATOM 0 HB2 GLU A 53 0.835 3.345 -9.056 1.00 33.21 H new ATOM 0 HB3 GLU A 53 -0.253 2.069 -8.547 1.00 33.21 H new ATOM 0 HG2 GLU A 53 -1.609 3.673 -9.644 1.00 40.31 H new ATOM 0 HG3 GLU A 53 -1.935 3.867 -7.933 1.00 40.31 H new ATOM 752 N ASP A 54 0.733 0.860 -6.662 1.00 32.20 N ATOM 753 CA ASP A 54 1.406 -0.387 -6.318 1.00 32.22 C ATOM 754 C ASP A 54 2.041 -1.020 -7.552 1.00 22.32 C ATOM 755 O ASP A 54 1.529 -0.889 -8.664 1.00 55.40 O ATOM 756 CB ASP A 54 0.419 -1.365 -5.679 1.00 35.02 C ATOM 757 CG ASP A 54 -0.900 -1.428 -6.425 1.00 45.43 C ATOM 758 OD1 ASP A 54 -0.909 -1.926 -7.570 1.00 54.11 O ATOM 759 OD2 ASP A 54 -1.921 -0.977 -5.865 1.00 71.50 O ATOM 0 H ASP A 54 -0.223 0.744 -6.999 1.00 32.20 H new ATOM 0 HA ASP A 54 2.195 -0.159 -5.601 1.00 32.22 H new ATOM 0 HB2 ASP A 54 0.865 -2.359 -5.650 1.00 35.02 H new ATOM 0 HB3 ASP A 54 0.235 -1.068 -4.646 1.00 35.02 H new ATOM 764 N LEU A 55 3.160 -1.707 -7.348 1.00 43.54 N ATOM 765 CA LEU A 55 3.867 -2.360 -8.445 1.00 2.33 C ATOM 766 C LEU A 55 4.186 -1.365 -9.556 1.00 64.01 C ATOM 767 O LEU A 55 3.684 -1.484 -10.674 1.00 33.11 O ATOM 768 CB LEU A 55 3.031 -3.513 -9.002 1.00 32.04 C ATOM 769 CG LEU A 55 2.671 -4.621 -8.011 1.00 12.43 C ATOM 770 CD1 LEU A 55 1.965 -5.765 -8.722 1.00 43.32 C ATOM 771 CD2 LEU A 55 3.917 -5.122 -7.296 1.00 31.33 C ATOM 0 H LEU A 55 3.597 -1.826 -6.434 1.00 43.54 H new ATOM 0 HA LEU A 55 4.805 -2.755 -8.056 1.00 2.33 H new ATOM 0 HB2 LEU A 55 2.107 -3.102 -9.408 1.00 32.04 H new ATOM 0 HB3 LEU A 55 3.574 -3.960 -9.835 1.00 32.04 H new ATOM 0 HG LEU A 55 1.990 -4.209 -7.266 1.00 12.43 H new ATOM 0 HD11 LEU A 55 1.717 -6.544 -8.001 1.00 43.32 H new ATOM 0 HD12 LEU A 55 1.051 -5.396 -9.186 1.00 43.32 H new ATOM 0 HD13 LEU A 55 2.621 -6.177 -9.489 1.00 43.32 H new ATOM 0 HD21 LEU A 55 3.642 -5.910 -6.595 1.00 31.33 H new ATOM 0 HD22 LEU A 55 4.622 -5.517 -8.027 1.00 31.33 H new ATOM 0 HD23 LEU A 55 4.381 -4.299 -6.753 1.00 31.33 H new ATOM 783 N CYS A 56 5.027 -0.385 -9.242 1.00 51.24 N ATOM 784 CA CYS A 56 5.416 0.630 -10.214 1.00 53.20 C ATOM 785 C CYS A 56 6.789 0.321 -10.804 1.00 11.35 C ATOM 786 O CYS A 56 7.144 0.820 -11.870 1.00 40.15 O ATOM 787 CB CYS A 56 5.429 2.013 -9.560 1.00 54.44 C ATOM 788 SG CYS A 56 5.909 3.363 -10.686 1.00 1.14 S ATOM 0 H CYS A 56 5.452 -0.272 -8.322 1.00 51.24 H new ATOM 0 HA CYS A 56 4.684 0.624 -11.021 1.00 53.20 H new ATOM 0 HB2 CYS A 56 4.437 2.223 -9.160 1.00 54.44 H new ATOM 0 HB3 CYS A 56 6.117 1.997 -8.715 1.00 54.44 H new ATOM 793 N ASN A 57 7.556 -0.505 -10.100 1.00 63.22 N ATOM 794 CA ASN A 57 8.891 -0.881 -10.553 1.00 53.12 C ATOM 795 C ASN A 57 8.892 -2.294 -11.128 1.00 61.03 C ATOM 796 O ASN A 57 8.709 -3.270 -10.402 1.00 30.34 O ATOM 797 CB ASN A 57 9.889 -0.787 -9.398 1.00 23.31 C ATOM 798 CG ASN A 57 9.552 -1.736 -8.264 1.00 21.11 C ATOM 799 OD1 ASN A 57 8.395 -1.851 -7.859 1.00 61.13 O ATOM 800 ND2 ASN A 57 10.564 -2.421 -7.745 1.00 64.31 N ATOM 0 H ASN A 57 7.277 -0.927 -9.214 1.00 63.22 H new ATOM 0 HA ASN A 57 9.190 -0.188 -11.339 1.00 53.12 H new ATOM 0 HB2 ASN A 57 10.890 -1.008 -9.768 1.00 23.31 H new ATOM 0 HB3 ASN A 57 9.907 0.235 -9.020 1.00 23.31 H new ATOM 0 HD21 ASN A 57 10.398 -3.074 -6.979 1.00 64.31 H new ATOM 0 HD22 ASN A 57 11.507 -2.294 -8.112 1.00 64.31 H new