USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 420 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 44 GLN : amide:sc= -0.278 K(o=-0.27,f=-2.2!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -109:sc= 0.00621 (180deg=0) USER MOD Set 2.1: A 14 THR OG1 : rot 150:sc= -1.01 USER MOD Set 2.2: A 18 ASN : amide:sc= 0 X(o=-1,f=-0.73) USER MOD Single : A 11 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.4!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=2.2e-05) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0877 (180deg=-0.337) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00213 USER MOD Single : A 28 GLN : amide:sc= -0.0937 K(o=-0.094,f=-3.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 81:sc= 1.28 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= -1.03 (180deg=-1.03) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 75:sc= 0.492 USER MOD Single : A 59 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.3) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 142:sc= -0.085 (180deg=-0.892) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.085 -12.018 -5.276 1.00 0.00 N ATOM 2 CA GLN A 11 -9.970 -12.684 -4.551 1.00 0.00 C ATOM 3 C GLN A 11 -9.874 -12.186 -3.112 1.00 0.00 C ATOM 4 O GLN A 11 -10.142 -11.018 -2.829 1.00 0.00 O ATOM 5 CB GLN A 11 -8.666 -12.400 -5.297 1.00 0.00 C ATOM 6 CG GLN A 11 -7.662 -13.538 -5.223 1.00 0.00 C ATOM 7 CD GLN A 11 -6.229 -13.061 -5.349 1.00 0.00 C ATOM 8 OE1 GLN A 11 -5.951 -11.866 -5.258 1.00 0.00 O ATOM 9 NE2 GLN A 11 -5.309 -13.996 -5.560 1.00 0.00 N ATOM 0 HA GLN A 11 -10.156 -13.757 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.893 -12.195 -6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.211 -11.498 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.784 -14.064 -4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.873 -14.256 -6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.584 -14.976 -5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.328 -13.734 -5.653 1.00 0.00 H new ATOM 18 N ALA A 12 -9.491 -13.079 -2.206 1.00 0.00 N ATOM 19 CA ALA A 12 -9.358 -12.730 -0.796 1.00 0.00 C ATOM 20 C ALA A 12 -8.011 -12.077 -0.514 1.00 0.00 C ATOM 21 O ALA A 12 -6.961 -12.649 -0.804 1.00 0.00 O ATOM 22 CB ALA A 12 -9.541 -13.966 0.071 1.00 0.00 C ATOM 0 H ALA A 12 -9.267 -14.050 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.137 -12.008 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.439 -13.692 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.532 -14.387 -0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.783 -14.706 -0.186 1.00 0.00 H new ATOM 28 N CYS A 13 -8.047 -10.875 0.055 1.00 0.00 N ATOM 29 CA CYS A 13 -6.825 -10.147 0.378 1.00 0.00 C ATOM 30 C CYS A 13 -6.695 -9.941 1.884 1.00 0.00 C ATOM 31 O CYS A 13 -7.649 -10.149 2.633 1.00 0.00 O ATOM 32 CB CYS A 13 -6.802 -8.796 -0.341 1.00 0.00 C ATOM 33 SG CYS A 13 -8.062 -7.614 0.242 1.00 0.00 S ATOM 0 H CYS A 13 -8.908 -10.386 0.301 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.978 -10.743 0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.816 -8.348 -0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.944 -8.963 -1.409 1.00 0.00 H new ATOM 38 N THR A 14 -5.509 -9.533 2.319 1.00 0.00 N ATOM 39 CA THR A 14 -5.254 -9.300 3.736 1.00 0.00 C ATOM 40 C THR A 14 -5.296 -7.810 4.060 1.00 0.00 C ATOM 41 O THR A 14 -4.473 -7.035 3.575 1.00 0.00 O ATOM 42 CB THR A 14 -3.897 -9.882 4.135 1.00 0.00 C ATOM 43 OG1 THR A 14 -3.626 -9.633 5.503 1.00 0.00 O ATOM 44 CG2 THR A 14 -2.745 -9.320 3.330 1.00 0.00 C ATOM 0 H THR A 14 -4.709 -9.357 1.712 1.00 0.00 H new ATOM 0 HA THR A 14 -6.037 -9.799 4.306 1.00 0.00 H new ATOM 0 HB THR A 14 -3.972 -10.951 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.068 -10.354 5.862 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.812 -9.775 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.898 -9.539 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.694 -8.241 3.473 1.00 0.00 H new ATOM 52 N LEU A 15 -6.260 -7.418 4.888 1.00 0.00 N ATOM 53 CA LEU A 15 -6.410 -6.022 5.282 1.00 0.00 C ATOM 54 C LEU A 15 -5.178 -5.540 6.043 1.00 0.00 C ATOM 55 O LEU A 15 -4.379 -6.346 6.521 1.00 0.00 O ATOM 56 CB LEU A 15 -7.661 -5.847 6.144 1.00 0.00 C ATOM 57 CG LEU A 15 -7.869 -6.924 7.212 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.318 -6.298 8.524 1.00 0.00 C ATOM 59 CD2 LEU A 15 -8.882 -7.957 6.738 1.00 0.00 C ATOM 0 H LEU A 15 -6.949 -8.048 5.299 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.515 -5.421 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.612 -4.875 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.534 -5.831 5.491 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.917 -7.428 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.460 -7.080 9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.558 -5.598 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.258 -5.767 8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.017 -8.715 7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.835 -7.467 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.520 -8.430 5.825 1.00 0.00 H new ATOM 71 N PRO A 16 -5.007 -4.212 6.171 1.00 0.00 N ATOM 72 CA PRO A 16 -3.863 -3.629 6.882 1.00 0.00 C ATOM 73 C PRO A 16 -3.671 -4.238 8.267 1.00 0.00 C ATOM 74 O PRO A 16 -2.560 -4.261 8.798 1.00 0.00 O ATOM 75 CB PRO A 16 -4.230 -2.149 6.991 1.00 0.00 C ATOM 76 CG PRO A 16 -5.137 -1.900 5.836 1.00 0.00 C ATOM 77 CD PRO A 16 -5.910 -3.175 5.634 1.00 0.00 C ATOM 0 HA PRO A 16 -2.923 -3.810 6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.725 -1.932 7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.344 -1.516 6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.808 -1.065 6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.569 -1.642 4.942 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.861 -3.156 6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.136 -3.345 4.581 1.00 0.00 H new ATOM 85 N ASN A 17 -4.761 -4.731 8.847 1.00 0.00 N ATOM 86 CA ASN A 17 -4.711 -5.343 10.171 1.00 0.00 C ATOM 87 C ASN A 17 -4.249 -6.796 10.088 1.00 0.00 C ATOM 88 O ASN A 17 -3.830 -7.381 11.086 1.00 0.00 O ATOM 89 CB ASN A 17 -6.085 -5.269 10.841 1.00 0.00 C ATOM 90 CG ASN A 17 -5.995 -4.892 12.306 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.079 -5.313 13.011 1.00 0.00 O ATOM 92 ND2 ASN A 17 -6.947 -4.093 12.772 1.00 0.00 N ATOM 0 H ASN A 17 -5.688 -4.719 8.422 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.990 -4.788 10.771 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.702 -4.538 10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.584 -6.233 10.747 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.937 -3.805 13.750 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.688 -3.767 12.152 1.00 0.00 H new ATOM 99 N ASN A 18 -4.328 -7.375 8.889 1.00 0.00 N ATOM 100 CA ASN A 18 -3.917 -8.760 8.676 1.00 0.00 C ATOM 101 C ASN A 18 -4.867 -9.723 9.379 1.00 0.00 C ATOM 102 O ASN A 18 -4.603 -10.170 10.495 1.00 0.00 O ATOM 103 CB ASN A 18 -2.486 -8.978 9.175 1.00 0.00 C ATOM 104 CG ASN A 18 -1.675 -9.852 8.237 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.536 -11.055 8.457 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.133 -9.248 7.185 1.00 0.00 N ATOM 0 H ASN A 18 -4.673 -6.905 8.052 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.951 -8.960 7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.992 -8.013 9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.514 -9.438 10.163 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.575 -9.784 6.520 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.275 -8.248 7.042 1.00 0.00 H new ATOM 113 N ASP A 19 -5.974 -10.041 8.715 1.00 0.00 N ATOM 114 CA ASP A 19 -6.966 -10.954 9.272 1.00 0.00 C ATOM 115 C ASP A 19 -7.852 -11.529 8.170 1.00 0.00 C ATOM 116 O ASP A 19 -9.016 -11.853 8.402 1.00 0.00 O ATOM 117 CB ASP A 19 -7.825 -10.233 10.312 1.00 0.00 C ATOM 118 CG ASP A 19 -7.321 -10.446 11.726 1.00 0.00 C ATOM 119 OD1 ASP A 19 -7.488 -11.565 12.254 1.00 0.00 O ATOM 120 OD2 ASP A 19 -6.756 -9.494 12.304 1.00 0.00 O ATOM 0 H ASP A 19 -6.207 -9.680 7.790 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.439 -11.776 9.756 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.839 -9.166 10.091 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.853 -10.587 10.238 1.00 0.00 H new ATOM 125 N LYS A 20 -7.290 -11.655 6.971 1.00 0.00 N ATOM 126 CA LYS A 20 -8.027 -12.191 5.831 1.00 0.00 C ATOM 127 C LYS A 20 -9.210 -11.296 5.475 1.00 0.00 C ATOM 128 O LYS A 20 -9.869 -10.741 6.355 1.00 0.00 O ATOM 129 CB LYS A 20 -8.518 -13.609 6.135 1.00 0.00 C ATOM 130 CG LYS A 20 -7.397 -14.584 6.457 1.00 0.00 C ATOM 131 CD LYS A 20 -7.281 -14.824 7.955 1.00 0.00 C ATOM 132 CE LYS A 20 -5.829 -14.939 8.391 1.00 0.00 C ATOM 133 NZ LYS A 20 -5.415 -16.358 8.571 1.00 0.00 N ATOM 0 H LYS A 20 -6.326 -11.393 6.764 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.350 -12.223 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.210 -13.573 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.078 -13.982 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.579 -15.531 5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.453 -14.194 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.760 -14.006 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.815 -15.736 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.188 -14.465 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.687 -14.398 9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.419 -16.394 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.010 -16.804 9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.527 -16.869 7.672 1.00 0.00 H new ATOM 147 N GLY A 21 -9.472 -11.159 4.180 1.00 0.00 N ATOM 148 CA GLY A 21 -10.574 -10.330 3.730 1.00 0.00 C ATOM 149 C GLY A 21 -10.926 -10.572 2.275 1.00 0.00 C ATOM 150 O GLY A 21 -10.756 -11.678 1.764 1.00 0.00 O ATOM 0 H GLY A 21 -8.941 -11.607 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.449 -10.526 4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.315 -9.280 3.868 1.00 0.00 H new ATOM 154 N THR A 22 -11.421 -9.534 1.611 1.00 0.00 N ATOM 155 CA THR A 22 -11.804 -9.637 0.208 1.00 0.00 C ATOM 156 C THR A 22 -11.235 -8.473 -0.597 1.00 0.00 C ATOM 157 O THR A 22 -11.104 -7.359 -0.090 1.00 0.00 O ATOM 158 CB THR A 22 -13.325 -9.676 0.068 1.00 0.00 C ATOM 159 OG1 THR A 22 -13.900 -10.513 1.056 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.788 -10.179 -1.283 1.00 0.00 C ATOM 0 H THR A 22 -11.567 -8.612 2.021 1.00 0.00 H new ATOM 0 HA THR A 22 -11.391 -10.565 -0.186 1.00 0.00 H new ATOM 0 HB THR A 22 -13.652 -8.643 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.874 -10.523 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.877 -10.182 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.403 -9.526 -2.066 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.418 -11.192 -1.441 1.00 0.00 H new ATOM 168 N CYS A 23 -10.895 -8.739 -1.854 1.00 0.00 N ATOM 169 CA CYS A 23 -10.338 -7.714 -2.728 1.00 0.00 C ATOM 170 C CYS A 23 -11.244 -7.480 -3.934 1.00 0.00 C ATOM 171 O CYS A 23 -11.524 -8.399 -4.705 1.00 0.00 O ATOM 172 CB CYS A 23 -8.928 -8.127 -3.184 1.00 0.00 C ATOM 173 SG CYS A 23 -8.377 -7.383 -4.757 1.00 0.00 S ATOM 0 H CYS A 23 -10.996 -9.656 -2.290 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.270 -6.779 -2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.217 -7.858 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.898 -9.212 -3.282 1.00 0.00 H new ATOM 178 N LYS A 24 -11.695 -6.239 -4.089 1.00 0.00 N ATOM 179 CA LYS A 24 -12.566 -5.871 -5.198 1.00 0.00 C ATOM 180 C LYS A 24 -12.270 -4.451 -5.666 1.00 0.00 C ATOM 181 O LYS A 24 -11.598 -3.687 -4.971 1.00 0.00 O ATOM 182 CB LYS A 24 -14.033 -5.990 -4.783 1.00 0.00 C ATOM 183 CG LYS A 24 -14.344 -5.319 -3.455 1.00 0.00 C ATOM 184 CD LYS A 24 -15.825 -5.400 -3.123 1.00 0.00 C ATOM 185 CE LYS A 24 -16.199 -6.767 -2.575 1.00 0.00 C ATOM 186 NZ LYS A 24 -15.583 -7.019 -1.242 1.00 0.00 N ATOM 0 H LYS A 24 -11.470 -5.470 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.375 -6.556 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.659 -5.549 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.300 -7.045 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.766 -5.794 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.035 -4.274 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.077 -4.632 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.411 -5.193 -4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.283 -6.841 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.878 -7.539 -3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.074 -7.809 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.578 -7.259 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.666 -6.165 -0.654 1.00 0.00 H new ATOM 200 N SER A 25 -12.775 -4.099 -6.843 1.00 0.00 N ATOM 201 CA SER A 25 -12.563 -2.766 -7.394 1.00 0.00 C ATOM 202 C SER A 25 -13.170 -1.702 -6.485 1.00 0.00 C ATOM 203 O SER A 25 -13.722 -2.017 -5.431 1.00 0.00 O ATOM 204 CB SER A 25 -13.175 -2.667 -8.793 1.00 0.00 C ATOM 205 OG SER A 25 -14.503 -3.160 -8.805 1.00 0.00 O ATOM 0 H SER A 25 -13.333 -4.717 -7.433 1.00 0.00 H new ATOM 0 HA SER A 25 -11.489 -2.593 -7.462 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.166 -1.629 -9.124 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.568 -3.232 -9.500 1.00 0.00 H new ATOM 0 HG SER A 25 -14.872 -3.084 -9.710 1.00 0.00 H new ATOM 211 N LEU A 26 -13.068 -0.444 -6.898 1.00 0.00 N ATOM 212 CA LEU A 26 -13.607 0.663 -6.117 1.00 0.00 C ATOM 213 C LEU A 26 -15.012 1.037 -6.591 1.00 0.00 C ATOM 214 O LEU A 26 -15.394 2.206 -6.559 1.00 0.00 O ATOM 215 CB LEU A 26 -12.685 1.881 -6.209 1.00 0.00 C ATOM 216 CG LEU A 26 -12.665 2.581 -7.572 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.687 4.092 -7.398 1.00 0.00 C ATOM 218 CD2 LEU A 26 -11.444 2.153 -8.375 1.00 0.00 C ATOM 0 H LEU A 26 -12.617 -0.165 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.668 0.340 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.987 2.604 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.670 1.568 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.559 2.286 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.672 4.571 -8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.592 4.384 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.813 4.405 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.447 2.660 -9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.538 2.417 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.471 1.075 -8.532 1.00 0.00 H new ATOM 230 N LEU A 27 -15.772 0.040 -7.029 1.00 0.00 N ATOM 231 CA LEU A 27 -17.131 0.270 -7.507 1.00 0.00 C ATOM 232 C LEU A 27 -18.058 -0.864 -7.081 1.00 0.00 C ATOM 233 O LEU A 27 -19.044 -1.160 -7.758 1.00 0.00 O ATOM 234 CB LEU A 27 -17.142 0.409 -9.031 1.00 0.00 C ATOM 235 CG LEU A 27 -16.032 1.287 -9.608 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.890 1.053 -11.105 1.00 0.00 C ATOM 237 CD2 LEU A 27 -16.313 2.755 -9.322 1.00 0.00 C ATOM 0 H LEU A 27 -15.471 -0.934 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.493 1.197 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.065 -0.585 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -18.105 0.819 -9.336 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.092 1.015 -9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.095 1.687 -11.499 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.644 0.007 -11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.829 1.298 -11.602 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.513 3.367 -9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.262 3.039 -9.777 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.365 2.912 -8.245 1.00 0.00 H new ATOM 249 N GLN A 28 -17.736 -1.495 -5.957 1.00 0.00 N ATOM 250 CA GLN A 28 -18.541 -2.594 -5.440 1.00 0.00 C ATOM 251 C GLN A 28 -18.856 -2.385 -3.963 1.00 0.00 C ATOM 252 O GLN A 28 -20.018 -2.408 -3.556 1.00 0.00 O ATOM 253 CB GLN A 28 -17.811 -3.925 -5.635 1.00 0.00 C ATOM 254 CG GLN A 28 -17.927 -4.480 -7.046 1.00 0.00 C ATOM 255 CD GLN A 28 -17.531 -5.940 -7.132 1.00 0.00 C ATOM 256 OE1 GLN A 28 -16.847 -6.462 -6.251 1.00 0.00 O ATOM 257 NE2 GLN A 28 -17.960 -6.607 -8.195 1.00 0.00 N ATOM 0 H GLN A 28 -16.923 -1.264 -5.387 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.479 -2.619 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.757 -3.791 -5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.210 -4.656 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -18.953 -4.365 -7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.295 -3.896 -7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.525 -6.134 -8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.725 -7.593 -8.307 1.00 0.00 H new ATOM 266 N CYS A 29 -17.814 -2.177 -3.166 1.00 0.00 N ATOM 267 CA CYS A 29 -17.979 -1.960 -1.735 1.00 0.00 C ATOM 268 C CYS A 29 -18.794 -0.697 -1.471 1.00 0.00 C ATOM 269 O CYS A 29 -18.343 0.412 -1.755 1.00 0.00 O ATOM 270 CB CYS A 29 -16.613 -1.856 -1.052 1.00 0.00 C ATOM 271 SG CYS A 29 -16.455 -2.869 0.455 1.00 0.00 S ATOM 0 H CYS A 29 -16.846 -2.154 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 29 -18.517 -2.812 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.841 -2.155 -1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.425 -0.813 -0.797 1.00 0.00 H new ATOM 276 N ASP A 30 -19.995 -0.874 -0.932 1.00 0.00 N ATOM 277 CA ASP A 30 -20.874 0.251 -0.633 1.00 0.00 C ATOM 278 C ASP A 30 -20.185 1.253 0.288 1.00 0.00 C ATOM 279 O ASP A 30 -20.366 2.463 0.153 1.00 0.00 O ATOM 280 CB ASP A 30 -22.172 -0.242 0.008 1.00 0.00 C ATOM 281 CG ASP A 30 -23.269 -0.476 -1.012 1.00 0.00 C ATOM 282 OD1 ASP A 30 -23.053 -1.281 -1.942 1.00 0.00 O ATOM 283 OD2 ASP A 30 -24.344 0.145 -0.881 1.00 0.00 O ATOM 0 H ASP A 30 -20.383 -1.787 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.110 0.752 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.978 -1.169 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -22.512 0.489 0.742 1.00 0.00 H new ATOM 288 N VAL A 31 -19.395 0.740 1.224 1.00 0.00 N ATOM 289 CA VAL A 31 -18.678 1.590 2.167 1.00 0.00 C ATOM 290 C VAL A 31 -17.587 2.386 1.460 1.00 0.00 C ATOM 291 O VAL A 31 -17.371 3.562 1.750 1.00 0.00 O ATOM 292 CB VAL A 31 -18.051 0.764 3.306 1.00 0.00 C ATOM 293 CG1 VAL A 31 -17.030 -0.222 2.759 1.00 0.00 C ATOM 294 CG2 VAL A 31 -17.419 1.678 4.348 1.00 0.00 C ATOM 0 H VAL A 31 -19.235 -0.259 1.350 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.406 2.279 2.595 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.844 0.194 3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.600 -0.794 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.518 -0.901 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -16.239 0.322 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.982 1.075 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.640 2.280 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.182 2.334 4.767 1.00 0.00 H new ATOM 304 N ALA A 32 -16.902 1.738 0.530 1.00 0.00 N ATOM 305 CA ALA A 32 -15.836 2.385 -0.224 1.00 0.00 C ATOM 306 C ALA A 32 -16.387 3.505 -1.099 1.00 0.00 C ATOM 307 O ALA A 32 -15.748 4.542 -1.272 1.00 0.00 O ATOM 308 CB ALA A 32 -15.091 1.366 -1.072 1.00 0.00 C ATOM 0 H ALA A 32 -17.065 0.763 0.278 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.137 2.825 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.298 1.866 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.656 0.604 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.784 0.897 -1.770 1.00 0.00 H new ATOM 314 N SER A 33 -17.574 3.283 -1.654 1.00 0.00 N ATOM 315 CA SER A 33 -18.210 4.268 -2.519 1.00 0.00 C ATOM 316 C SER A 33 -18.631 5.510 -1.737 1.00 0.00 C ATOM 317 O SER A 33 -18.544 6.630 -2.240 1.00 0.00 O ATOM 318 CB SER A 33 -19.425 3.652 -3.217 1.00 0.00 C ATOM 319 OG SER A 33 -19.301 3.736 -4.627 1.00 0.00 O ATOM 0 H SER A 33 -18.115 2.429 -1.520 1.00 0.00 H new ATOM 0 HA SER A 33 -17.480 4.574 -3.268 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.529 2.609 -2.920 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.331 4.166 -2.897 1.00 0.00 H new ATOM 0 HG SER A 33 -20.089 3.334 -5.049 1.00 0.00 H new ATOM 325 N LYS A 34 -19.093 5.304 -0.508 1.00 0.00 N ATOM 326 CA LYS A 34 -19.532 6.413 0.333 1.00 0.00 C ATOM 327 C LYS A 34 -18.347 7.269 0.775 1.00 0.00 C ATOM 328 O LYS A 34 -18.475 8.482 0.937 1.00 0.00 O ATOM 329 CB LYS A 34 -20.300 5.891 1.553 1.00 0.00 C ATOM 330 CG LYS A 34 -19.434 5.170 2.572 1.00 0.00 C ATOM 331 CD LYS A 34 -20.039 5.239 3.964 1.00 0.00 C ATOM 332 CE LYS A 34 -19.004 4.956 5.041 1.00 0.00 C ATOM 333 NZ LYS A 34 -18.667 6.177 5.824 1.00 0.00 N ATOM 0 H LYS A 34 -19.173 4.385 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.200 7.040 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.796 6.729 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -21.082 5.213 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.315 4.127 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.439 5.614 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -20.471 6.227 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -20.853 4.519 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.382 4.186 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.099 4.560 4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.958 5.941 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.282 6.903 5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.525 6.541 6.286 1.00 0.00 H new ATOM 347 N ILE A 35 -17.197 6.631 0.968 1.00 0.00 N ATOM 348 CA ILE A 35 -15.994 7.340 1.390 1.00 0.00 C ATOM 349 C ILE A 35 -15.454 8.218 0.265 1.00 0.00 C ATOM 350 O ILE A 35 -14.941 9.311 0.510 1.00 0.00 O ATOM 351 CB ILE A 35 -14.892 6.362 1.844 1.00 0.00 C ATOM 352 CG1 ILE A 35 -15.424 5.437 2.941 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.671 7.126 2.337 1.00 0.00 C ATOM 354 CD1 ILE A 35 -14.787 4.064 2.934 1.00 0.00 C ATOM 0 H ILE A 35 -17.073 5.627 0.839 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.276 7.969 2.235 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.594 5.753 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.254 5.903 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.502 5.329 2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.903 6.420 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.282 7.749 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.953 7.757 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -15.211 3.462 3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.979 3.579 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.712 4.161 3.083 1.00 0.00 H new ATOM 366 N ILE A 36 -15.573 7.735 -0.967 1.00 0.00 N ATOM 367 CA ILE A 36 -15.100 8.477 -2.129 1.00 0.00 C ATOM 368 C ILE A 36 -16.034 9.639 -2.454 1.00 0.00 C ATOM 369 O ILE A 36 -15.595 10.686 -2.929 1.00 0.00 O ATOM 370 CB ILE A 36 -14.976 7.563 -3.366 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.054 6.379 -3.060 1.00 0.00 C ATOM 372 CG2 ILE A 36 -14.466 8.348 -4.567 1.00 0.00 C ATOM 373 CD1 ILE A 36 -12.582 6.740 -3.029 1.00 0.00 C ATOM 0 H ILE A 36 -15.993 6.832 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.114 8.868 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.965 7.176 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.334 5.952 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.212 5.604 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.386 7.684 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.161 9.156 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.486 8.766 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.994 5.850 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.285 7.138 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.408 7.492 -2.259 1.00 0.00 H new ATOM 385 N SER A 37 -17.322 9.446 -2.191 1.00 0.00 N ATOM 386 CA SER A 37 -18.319 10.478 -2.453 1.00 0.00 C ATOM 387 C SER A 37 -18.635 11.280 -1.189 1.00 0.00 C ATOM 388 O SER A 37 -19.459 12.195 -1.217 1.00 0.00 O ATOM 389 CB SER A 37 -19.601 9.850 -3.001 1.00 0.00 C ATOM 390 OG SER A 37 -19.321 8.650 -3.702 1.00 0.00 O ATOM 0 H SER A 37 -17.700 8.585 -1.797 1.00 0.00 H new ATOM 0 HA SER A 37 -17.904 11.159 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.288 9.644 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.100 10.555 -3.666 1.00 0.00 H new ATOM 0 HG SER A 37 -19.210 7.916 -3.062 1.00 0.00 H new ATOM 396 N LYS A 38 -17.980 10.935 -0.083 1.00 0.00 N ATOM 397 CA LYS A 38 -18.199 11.626 1.184 1.00 0.00 C ATOM 398 C LYS A 38 -17.910 13.119 1.051 1.00 0.00 C ATOM 399 O LYS A 38 -18.825 13.929 0.915 1.00 0.00 O ATOM 400 CB LYS A 38 -17.324 11.011 2.280 1.00 0.00 C ATOM 401 CG LYS A 38 -18.117 10.291 3.357 1.00 0.00 C ATOM 402 CD LYS A 38 -18.873 11.269 4.241 1.00 0.00 C ATOM 403 CE LYS A 38 -18.095 11.589 5.508 1.00 0.00 C ATOM 404 NZ LYS A 38 -16.698 12.011 5.209 1.00 0.00 N ATOM 0 H LYS A 38 -17.294 10.182 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.247 11.507 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.625 10.309 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.729 11.798 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -18.821 9.601 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.442 9.693 3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.064 12.189 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.843 10.848 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.604 12.381 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.079 10.712 6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.206 12.237 6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.199 11.239 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.713 12.853 4.598 1.00 0.00 H new ATOM 418 N LYS A 39 -16.631 13.473 1.095 1.00 0.00 N ATOM 419 CA LYS A 39 -16.219 14.869 0.984 1.00 0.00 C ATOM 420 C LYS A 39 -14.697 15.000 1.048 1.00 0.00 C ATOM 421 O LYS A 39 -14.069 15.470 0.098 1.00 0.00 O ATOM 422 CB LYS A 39 -16.865 15.704 2.091 1.00 0.00 C ATOM 423 CG LYS A 39 -17.602 16.932 1.575 1.00 0.00 C ATOM 424 CD LYS A 39 -18.923 17.136 2.298 1.00 0.00 C ATOM 425 CE LYS A 39 -20.027 17.546 1.338 1.00 0.00 C ATOM 426 NZ LYS A 39 -21.379 17.369 1.936 1.00 0.00 N ATOM 0 H LYS A 39 -15.861 12.814 1.207 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.554 15.243 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.563 15.078 2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.094 16.021 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.975 17.814 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -17.784 16.825 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -19.206 16.215 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.804 17.901 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.890 18.589 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.953 16.953 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -22.103 17.660 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -21.520 16.369 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -21.459 17.954 2.792 1.00 0.00 H new ATOM 440 N PRO A 40 -14.080 14.590 2.171 1.00 0.00 N ATOM 441 CA PRO A 40 -12.627 14.673 2.348 1.00 0.00 C ATOM 442 C PRO A 40 -11.865 13.931 1.255 1.00 0.00 C ATOM 443 O PRO A 40 -12.269 12.851 0.825 1.00 0.00 O ATOM 444 CB PRO A 40 -12.380 14.013 3.714 1.00 0.00 C ATOM 445 CG PRO A 40 -13.632 13.262 4.022 1.00 0.00 C ATOM 446 CD PRO A 40 -14.743 14.019 3.356 1.00 0.00 C ATOM 0 HA PRO A 40 -12.277 15.704 2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.520 13.345 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.171 14.760 4.480 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.576 12.240 3.647 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.794 13.198 5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.571 13.365 3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.151 14.794 4.005 1.00 0.00 H new ATOM 454 N ARG A 41 -10.761 14.522 0.810 1.00 0.00 N ATOM 455 CA ARG A 41 -9.938 13.923 -0.235 1.00 0.00 C ATOM 456 C ARG A 41 -8.557 14.570 -0.271 1.00 0.00 C ATOM 457 O ARG A 41 -8.345 15.562 -0.969 1.00 0.00 O ATOM 458 CB ARG A 41 -10.622 14.066 -1.597 1.00 0.00 C ATOM 459 CG ARG A 41 -10.738 12.757 -2.359 1.00 0.00 C ATOM 460 CD ARG A 41 -10.820 12.992 -3.860 1.00 0.00 C ATOM 461 NE ARG A 41 -11.744 12.065 -4.509 1.00 0.00 N ATOM 462 CZ ARG A 41 -11.776 11.847 -5.822 1.00 0.00 C ATOM 463 NH1 ARG A 41 -10.937 12.488 -6.627 1.00 0.00 N ATOM 464 NH2 ARG A 41 -12.648 10.988 -6.330 1.00 0.00 N ATOM 0 H ARG A 41 -10.415 15.417 1.157 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.817 12.863 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.619 14.482 -1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.064 14.781 -2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.878 12.127 -2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.624 12.217 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.141 14.016 -4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.828 12.882 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.403 11.555 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.265 13.150 -6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.965 12.318 -7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.295 10.494 -5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.673 10.821 -7.336 1.00 0.00 H new ATOM 478 N THR A 42 -7.623 14.005 0.487 1.00 0.00 N ATOM 479 CA THR A 42 -6.264 14.532 0.542 1.00 0.00 C ATOM 480 C THR A 42 -5.237 13.416 0.382 1.00 0.00 C ATOM 481 O THR A 42 -5.590 12.263 0.131 1.00 0.00 O ATOM 482 CB THR A 42 -6.036 15.266 1.868 1.00 0.00 C ATOM 483 OG1 THR A 42 -6.899 14.763 2.873 1.00 0.00 O ATOM 484 CG2 THR A 42 -6.266 16.759 1.770 1.00 0.00 C ATOM 0 H THR A 42 -7.782 13.184 1.071 1.00 0.00 H new ATOM 0 HA THR A 42 -6.139 15.233 -0.283 1.00 0.00 H new ATOM 0 HB THR A 42 -4.990 15.091 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.738 15.242 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.088 17.219 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.582 17.185 1.036 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.294 16.949 1.461 1.00 0.00 H new ATOM 492 N ALA A 43 -3.963 13.768 0.527 1.00 0.00 N ATOM 493 CA ALA A 43 -2.878 12.802 0.399 1.00 0.00 C ATOM 494 C ALA A 43 -3.074 11.618 1.342 1.00 0.00 C ATOM 495 O ALA A 43 -2.688 10.492 1.028 1.00 0.00 O ATOM 496 CB ALA A 43 -1.539 13.474 0.666 1.00 0.00 C ATOM 0 H ALA A 43 -3.656 14.719 0.734 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.887 12.421 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.738 12.741 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.386 14.278 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.533 13.884 1.676 1.00 0.00 H new ATOM 502 N GLN A 44 -3.671 11.881 2.498 1.00 0.00 N ATOM 503 CA GLN A 44 -3.913 10.837 3.488 1.00 0.00 C ATOM 504 C GLN A 44 -4.793 9.732 2.910 1.00 0.00 C ATOM 505 O GLN A 44 -4.690 8.572 3.307 1.00 0.00 O ATOM 506 CB GLN A 44 -4.572 11.429 4.735 1.00 0.00 C ATOM 507 CG GLN A 44 -3.633 12.280 5.574 1.00 0.00 C ATOM 508 CD GLN A 44 -3.739 11.980 7.057 1.00 0.00 C ATOM 509 OE1 GLN A 44 -4.136 10.885 7.454 1.00 0.00 O ATOM 510 NE2 GLN A 44 -3.383 12.956 7.884 1.00 0.00 N ATOM 0 H GLN A 44 -3.997 12.808 2.774 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.951 10.404 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.425 12.036 4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.961 10.618 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.607 12.113 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.854 13.334 5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.060 13.848 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.433 12.813 8.893 1.00 0.00 H new ATOM 519 N ASP A 45 -5.656 10.096 1.973 1.00 0.00 N ATOM 520 CA ASP A 45 -6.542 9.127 1.343 1.00 0.00 C ATOM 521 C ASP A 45 -5.760 8.192 0.426 1.00 0.00 C ATOM 522 O ASP A 45 -6.074 7.008 0.317 1.00 0.00 O ATOM 523 CB ASP A 45 -7.644 9.839 0.557 1.00 0.00 C ATOM 524 CG ASP A 45 -8.924 9.984 1.357 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.304 9.017 2.050 1.00 0.00 O ATOM 526 OD2 ASP A 45 -9.545 11.065 1.292 1.00 0.00 O ATOM 0 H ASP A 45 -5.762 11.052 1.633 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.004 8.530 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.293 10.826 0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.851 9.283 -0.357 1.00 0.00 H new ATOM 531 N GLU A 46 -4.745 8.738 -0.234 1.00 0.00 N ATOM 532 CA GLU A 46 -3.921 7.957 -1.148 1.00 0.00 C ATOM 533 C GLU A 46 -3.086 6.929 -0.396 1.00 0.00 C ATOM 534 O GLU A 46 -2.987 5.773 -0.809 1.00 0.00 O ATOM 535 CB GLU A 46 -3.007 8.878 -1.959 1.00 0.00 C ATOM 536 CG GLU A 46 -3.761 9.873 -2.824 1.00 0.00 C ATOM 537 CD GLU A 46 -2.837 10.809 -3.578 1.00 0.00 C ATOM 538 OE1 GLU A 46 -2.456 11.854 -3.009 1.00 0.00 O ATOM 539 OE2 GLU A 46 -2.494 10.498 -4.738 1.00 0.00 O ATOM 0 H GLU A 46 -4.473 9.718 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.588 7.425 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.356 9.423 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.364 8.270 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.383 9.331 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.432 10.459 -2.196 1.00 0.00 H new ATOM 546 N LYS A 47 -2.489 7.351 0.713 1.00 0.00 N ATOM 547 CA LYS A 47 -1.667 6.454 1.517 1.00 0.00 C ATOM 548 C LYS A 47 -2.530 5.390 2.182 1.00 0.00 C ATOM 549 O LYS A 47 -2.128 4.232 2.296 1.00 0.00 O ATOM 550 CB LYS A 47 -0.871 7.232 2.570 1.00 0.00 C ATOM 551 CG LYS A 47 -1.684 8.286 3.300 1.00 0.00 C ATOM 552 CD LYS A 47 -1.476 8.214 4.806 1.00 0.00 C ATOM 553 CE LYS A 47 -2.786 8.381 5.558 1.00 0.00 C ATOM 554 NZ LYS A 47 -2.646 8.034 7.000 1.00 0.00 N ATOM 0 H LYS A 47 -2.558 8.302 1.074 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.958 5.961 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.467 6.529 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.021 7.713 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.403 9.276 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.741 8.153 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.025 7.256 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.776 8.990 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.130 9.411 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.548 7.748 5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.143 7.141 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.639 7.927 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.058 8.792 7.581 1.00 0.00 H new ATOM 568 N PHE A 48 -3.724 5.787 2.614 1.00 0.00 N ATOM 569 CA PHE A 48 -4.647 4.861 3.260 1.00 0.00 C ATOM 570 C PHE A 48 -5.142 3.817 2.267 1.00 0.00 C ATOM 571 O PHE A 48 -5.339 2.654 2.620 1.00 0.00 O ATOM 572 CB PHE A 48 -5.832 5.623 3.856 1.00 0.00 C ATOM 573 CG PHE A 48 -6.676 4.793 4.782 1.00 0.00 C ATOM 574 CD1 PHE A 48 -7.576 3.867 4.277 1.00 0.00 C ATOM 575 CD2 PHE A 48 -6.569 4.938 6.156 1.00 0.00 C ATOM 576 CE1 PHE A 48 -8.354 3.104 5.127 1.00 0.00 C ATOM 577 CE2 PHE A 48 -7.345 4.178 7.009 1.00 0.00 C ATOM 578 CZ PHE A 48 -8.238 3.259 6.494 1.00 0.00 C ATOM 0 H PHE A 48 -4.074 6.741 2.528 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.115 4.351 4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.459 6.492 4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.457 5.998 3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.670 3.741 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.871 5.654 6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.053 2.387 4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.254 4.302 8.078 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.845 2.663 7.159 1.00 0.00 H new ATOM 588 N LEU A 49 -5.332 4.239 1.022 1.00 0.00 N ATOM 589 CA LEU A 49 -5.795 3.341 -0.027 1.00 0.00 C ATOM 590 C LEU A 49 -4.683 2.373 -0.423 1.00 0.00 C ATOM 591 O LEU A 49 -4.943 1.223 -0.778 1.00 0.00 O ATOM 592 CB LEU A 49 -6.269 4.155 -1.239 1.00 0.00 C ATOM 593 CG LEU A 49 -6.082 3.486 -2.603 1.00 0.00 C ATOM 594 CD1 LEU A 49 -6.888 2.198 -2.684 1.00 0.00 C ATOM 595 CD2 LEU A 49 -6.480 4.440 -3.720 1.00 0.00 C ATOM 0 H LEU A 49 -5.172 5.199 0.715 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.635 2.757 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.327 4.383 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.736 5.106 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.028 3.235 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.741 1.738 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.555 1.511 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.946 2.421 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.341 3.950 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.527 4.721 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.857 5.333 -3.675 1.00 0.00 H new ATOM 607 N ARG A 50 -3.445 2.847 -0.353 1.00 0.00 N ATOM 608 CA ARG A 50 -2.290 2.025 -0.701 1.00 0.00 C ATOM 609 C ARG A 50 -2.118 0.887 0.298 1.00 0.00 C ATOM 610 O ARG A 50 -1.714 -0.218 -0.067 1.00 0.00 O ATOM 611 CB ARG A 50 -1.022 2.882 -0.738 1.00 0.00 C ATOM 612 CG ARG A 50 0.144 2.210 -1.442 1.00 0.00 C ATOM 613 CD ARG A 50 1.381 3.095 -1.440 1.00 0.00 C ATOM 614 NE ARG A 50 2.587 2.351 -1.795 1.00 0.00 N ATOM 615 CZ ARG A 50 2.926 2.042 -3.045 1.00 0.00 C ATOM 616 NH1 ARG A 50 2.151 2.406 -4.060 1.00 0.00 N ATOM 617 NH2 ARG A 50 4.040 1.365 -3.281 1.00 0.00 N ATOM 0 H ARG A 50 -3.214 3.796 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.460 1.598 -1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.244 3.824 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.728 3.126 0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.371 1.264 -0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.136 1.976 -2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.241 3.915 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.507 3.540 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 50 3.205 2.051 -1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.291 2.925 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.416 2.166 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.638 1.080 -2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.300 1.128 -4.239 1.00 0.00 H new ATOM 631 N GLU A 51 -2.430 1.164 1.561 1.00 0.00 N ATOM 632 CA GLU A 51 -2.312 0.161 2.613 1.00 0.00 C ATOM 633 C GLU A 51 -3.401 -0.896 2.476 1.00 0.00 C ATOM 634 O GLU A 51 -3.179 -2.073 2.759 1.00 0.00 O ATOM 635 CB GLU A 51 -2.398 0.824 3.990 1.00 0.00 C ATOM 636 CG GLU A 51 -1.491 0.186 5.030 1.00 0.00 C ATOM 637 CD GLU A 51 -0.874 1.204 5.968 1.00 0.00 C ATOM 638 OE1 GLU A 51 -0.192 2.128 5.476 1.00 0.00 O ATOM 639 OE2 GLU A 51 -1.074 1.079 7.195 1.00 0.00 O ATOM 0 H GLU A 51 -2.766 2.073 1.880 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.342 -0.326 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.140 1.879 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.429 0.779 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.063 -0.538 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.698 -0.366 4.526 1.00 0.00 H new ATOM 646 N SER A 52 -4.579 -0.468 2.036 1.00 0.00 N ATOM 647 CA SER A 52 -5.705 -1.377 1.858 1.00 0.00 C ATOM 648 C SER A 52 -5.943 -1.664 0.378 1.00 0.00 C ATOM 649 O SER A 52 -7.085 -1.771 -0.068 1.00 0.00 O ATOM 650 CB SER A 52 -6.970 -0.785 2.485 1.00 0.00 C ATOM 651 OG SER A 52 -6.647 0.132 3.515 1.00 0.00 O ATOM 0 H SER A 52 -4.779 0.503 1.796 1.00 0.00 H new ATOM 0 HA SER A 52 -5.465 -2.315 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.559 -0.282 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.589 -1.586 2.888 1.00 0.00 H new ATOM 0 HG SER A 52 -6.325 0.969 3.119 1.00 0.00 H new ATOM 657 N ALA A 53 -4.856 -1.790 -0.378 1.00 0.00 N ATOM 658 CA ALA A 53 -4.945 -2.067 -1.805 1.00 0.00 C ATOM 659 C ALA A 53 -4.341 -3.425 -2.137 1.00 0.00 C ATOM 660 O ALA A 53 -3.122 -3.589 -2.145 1.00 0.00 O ATOM 661 CB ALA A 53 -4.249 -0.971 -2.599 1.00 0.00 C ATOM 0 H ALA A 53 -3.903 -1.704 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.999 -2.088 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.323 -1.190 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.726 -0.013 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.199 -0.924 -2.310 1.00 0.00 H new ATOM 667 N CYS A 54 -5.206 -4.399 -2.407 1.00 0.00 N ATOM 668 CA CYS A 54 -4.764 -5.750 -2.738 1.00 0.00 C ATOM 669 C CYS A 54 -3.788 -5.738 -3.911 1.00 0.00 C ATOM 670 O CYS A 54 -4.193 -5.839 -5.069 1.00 0.00 O ATOM 671 CB CYS A 54 -5.967 -6.633 -3.073 1.00 0.00 C ATOM 672 SG CYS A 54 -7.183 -5.847 -4.179 1.00 0.00 S ATOM 0 H CYS A 54 -6.219 -4.277 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.250 -6.157 -1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.611 -7.553 -3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.465 -6.916 -2.146 1.00 0.00 H new ATOM 677 N GLY A 55 -2.502 -5.617 -3.604 1.00 0.00 N ATOM 678 CA GLY A 55 -1.488 -5.598 -4.642 1.00 0.00 C ATOM 679 C GLY A 55 -1.143 -4.193 -5.095 1.00 0.00 C ATOM 680 O GLY A 55 -1.672 -3.217 -4.566 1.00 0.00 O ATOM 0 H GLY A 55 -2.143 -5.532 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.587 -6.088 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.838 -6.176 -5.497 1.00 0.00 H new ATOM 684 N PHE A 56 -0.253 -4.093 -6.077 1.00 0.00 N ATOM 685 CA PHE A 56 0.163 -2.799 -6.601 1.00 0.00 C ATOM 686 C PHE A 56 0.242 -2.828 -8.124 1.00 0.00 C ATOM 687 O PHE A 56 1.110 -3.486 -8.697 1.00 0.00 O ATOM 688 CB PHE A 56 1.521 -2.402 -6.016 1.00 0.00 C ATOM 689 CG PHE A 56 1.503 -2.226 -4.525 1.00 0.00 C ATOM 690 CD1 PHE A 56 0.729 -1.238 -3.940 1.00 0.00 C ATOM 691 CD2 PHE A 56 2.261 -3.051 -3.708 1.00 0.00 C ATOM 692 CE1 PHE A 56 0.709 -1.075 -2.567 1.00 0.00 C ATOM 693 CE2 PHE A 56 2.246 -2.893 -2.336 1.00 0.00 C ATOM 694 CZ PHE A 56 1.469 -1.903 -1.764 1.00 0.00 C ATOM 0 H PHE A 56 0.193 -4.893 -6.525 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.582 -2.060 -6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.256 -3.164 -6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.849 -1.472 -6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.134 -0.587 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.870 -3.826 -4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.100 -0.301 -2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.841 -3.542 -1.711 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.456 -1.777 -0.691 1.00 0.00 H new ATOM 704 N ASP A 57 -0.670 -2.111 -8.772 1.00 0.00 N ATOM 705 CA ASP A 57 -0.703 -2.055 -10.229 1.00 0.00 C ATOM 706 C ASP A 57 -0.322 -0.665 -10.728 1.00 0.00 C ATOM 707 O ASP A 57 0.768 -0.466 -11.268 1.00 0.00 O ATOM 708 CB ASP A 57 -2.095 -2.433 -10.743 1.00 0.00 C ATOM 709 CG ASP A 57 -2.128 -3.817 -11.357 1.00 0.00 C ATOM 710 OD1 ASP A 57 -1.271 -4.104 -12.221 1.00 0.00 O ATOM 711 OD2 ASP A 57 -3.008 -4.617 -10.977 1.00 0.00 O ATOM 0 H ASP A 57 -1.395 -1.561 -8.312 1.00 0.00 H new ATOM 0 HA ASP A 57 0.024 -2.770 -10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.808 -2.387 -9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.416 -1.702 -11.485 1.00 0.00 H new ATOM 716 N GLY A 58 -1.224 0.293 -10.545 1.00 0.00 N ATOM 717 CA GLY A 58 -0.964 1.652 -10.983 1.00 0.00 C ATOM 718 C GLY A 58 -2.074 2.204 -11.854 1.00 0.00 C ATOM 719 O GLY A 58 -2.550 3.317 -11.634 1.00 0.00 O ATOM 0 H GLY A 58 -2.131 0.153 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.838 2.293 -10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.025 1.679 -11.536 1.00 0.00 H new ATOM 723 N GLN A 59 -2.489 1.422 -12.845 1.00 0.00 N ATOM 724 CA GLN A 59 -3.552 1.838 -13.753 1.00 0.00 C ATOM 725 C GLN A 59 -4.904 1.306 -13.287 1.00 0.00 C ATOM 726 O GLN A 59 -5.919 1.995 -13.385 1.00 0.00 O ATOM 727 CB GLN A 59 -3.258 1.347 -15.171 1.00 0.00 C ATOM 728 CG GLN A 59 -3.632 2.350 -16.251 1.00 0.00 C ATOM 729 CD GLN A 59 -2.754 3.586 -16.227 1.00 0.00 C ATOM 730 OE1 GLN A 59 -2.979 4.507 -15.442 1.00 0.00 O ATOM 731 NE2 GLN A 59 -1.745 3.613 -17.090 1.00 0.00 N ATOM 0 H GLN A 59 -2.106 0.497 -13.040 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.592 2.927 -13.754 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.196 1.115 -15.254 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.801 0.418 -15.345 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.555 1.873 -17.228 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.673 2.646 -16.122 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.594 2.828 -17.723 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.121 4.419 -17.120 1.00 0.00 H new ATOM 740 N THR A 60 -4.908 0.077 -12.783 1.00 0.00 N ATOM 741 CA THR A 60 -6.135 -0.548 -12.303 1.00 0.00 C ATOM 742 C THR A 60 -6.284 -0.367 -10.792 1.00 0.00 C ATOM 743 O THR A 60 -5.637 -1.064 -10.011 1.00 0.00 O ATOM 744 CB THR A 60 -6.139 -2.038 -12.650 1.00 0.00 C ATOM 745 OG1 THR A 60 -5.623 -2.250 -13.953 1.00 0.00 O ATOM 746 CG2 THR A 60 -7.516 -2.662 -12.593 1.00 0.00 C ATOM 0 H THR A 60 -4.076 -0.506 -12.696 1.00 0.00 H new ATOM 0 HA THR A 60 -6.978 -0.062 -12.795 1.00 0.00 H new ATOM 0 HB THR A 60 -5.512 -2.513 -11.895 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.632 -3.209 -14.156 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.447 -3.719 -12.850 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.921 -2.559 -11.586 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.173 -2.158 -13.302 1.00 0.00 H new ATOM 754 N PRO A 61 -7.143 0.573 -10.356 1.00 0.00 N ATOM 755 CA PRO A 61 -7.367 0.832 -8.929 1.00 0.00 C ATOM 756 C PRO A 61 -8.069 -0.329 -8.234 1.00 0.00 C ATOM 757 O PRO A 61 -9.029 -0.890 -8.758 1.00 0.00 O ATOM 758 CB PRO A 61 -8.260 2.075 -8.924 1.00 0.00 C ATOM 759 CG PRO A 61 -8.942 2.059 -10.248 1.00 0.00 C ATOM 760 CD PRO A 61 -7.962 1.453 -11.212 1.00 0.00 C ATOM 0 HA PRO A 61 -6.429 0.965 -8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.981 2.041 -8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.672 2.984 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.861 1.474 -10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.220 3.067 -10.556 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.466 0.892 -11.999 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.356 2.215 -11.702 1.00 0.00 H new ATOM 768 N LYS A 62 -7.581 -0.684 -7.049 1.00 0.00 N ATOM 769 CA LYS A 62 -8.162 -1.778 -6.283 1.00 0.00 C ATOM 770 C LYS A 62 -8.255 -1.420 -4.803 1.00 0.00 C ATOM 771 O LYS A 62 -7.526 -0.557 -4.315 1.00 0.00 O ATOM 772 CB LYS A 62 -7.330 -3.051 -6.461 1.00 0.00 C ATOM 773 CG LYS A 62 -5.862 -2.873 -6.109 1.00 0.00 C ATOM 774 CD LYS A 62 -5.062 -2.363 -7.296 1.00 0.00 C ATOM 775 CE LYS A 62 -3.572 -2.342 -6.997 1.00 0.00 C ATOM 776 NZ LYS A 62 -3.110 -0.993 -6.568 1.00 0.00 N ATOM 0 H LYS A 62 -6.786 -0.230 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.170 -1.955 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.751 -3.840 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.409 -3.385 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.768 -2.173 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.450 -3.824 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.251 -2.997 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.396 -1.359 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.349 -3.068 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.019 -2.650 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.396 -1.093 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.693 -0.494 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.918 -0.448 -6.205 1.00 0.00 H new ATOM 790 N VAL A 63 -9.156 -2.091 -4.094 1.00 0.00 N ATOM 791 CA VAL A 63 -9.347 -1.847 -2.669 1.00 0.00 C ATOM 792 C VAL A 63 -9.640 -3.146 -1.925 1.00 0.00 C ATOM 793 O VAL A 63 -10.175 -4.094 -2.500 1.00 0.00 O ATOM 794 CB VAL A 63 -10.496 -0.853 -2.418 1.00 0.00 C ATOM 795 CG1 VAL A 63 -10.553 -0.458 -0.951 1.00 0.00 C ATOM 796 CG2 VAL A 63 -10.345 0.374 -3.303 1.00 0.00 C ATOM 0 H VAL A 63 -9.767 -2.809 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.418 -1.417 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.436 -1.343 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.371 0.245 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.716 -1.346 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.612 0.011 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.166 1.064 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.398 0.867 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.362 0.072 -4.350 1.00 0.00 H new ATOM 806 N CYS A 64 -9.285 -3.182 -0.644 1.00 0.00 N ATOM 807 CA CYS A 64 -9.511 -4.367 0.177 1.00 0.00 C ATOM 808 C CYS A 64 -10.712 -4.174 1.096 1.00 0.00 C ATOM 809 O CYS A 64 -10.766 -3.222 1.874 1.00 0.00 O ATOM 810 CB CYS A 64 -8.266 -4.683 1.007 1.00 0.00 C ATOM 811 SG CYS A 64 -7.100 -5.826 0.198 1.00 0.00 S ATOM 0 H CYS A 64 -8.841 -2.406 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.718 -5.204 -0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.747 -3.751 1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.577 -5.113 1.959 1.00 0.00 H new ATOM 816 N CYS A 65 -11.674 -5.087 1.002 1.00 0.00 N ATOM 817 CA CYS A 65 -12.874 -5.023 1.826 1.00 0.00 C ATOM 818 C CYS A 65 -13.089 -6.339 2.573 1.00 0.00 C ATOM 819 O CYS A 65 -13.292 -7.383 1.954 1.00 0.00 O ATOM 820 CB CYS A 65 -14.096 -4.711 0.958 1.00 0.00 C ATOM 821 SG CYS A 65 -14.452 -2.931 0.788 1.00 0.00 S ATOM 0 H CYS A 65 -11.645 -5.881 0.362 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.743 -4.226 2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.942 -5.136 -0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.968 -5.206 1.385 1.00 0.00 H new ATOM 826 N PRO A 66 -13.047 -6.314 3.919 1.00 0.00 N ATOM 827 CA PRO A 66 -13.239 -7.519 4.734 1.00 0.00 C ATOM 828 C PRO A 66 -14.646 -8.092 4.591 1.00 0.00 C ATOM 829 O PRO A 66 -15.632 -7.433 4.919 1.00 0.00 O ATOM 830 CB PRO A 66 -13.005 -7.030 6.166 1.00 0.00 C ATOM 831 CG PRO A 66 -13.248 -5.561 6.116 1.00 0.00 C ATOM 832 CD PRO A 66 -12.813 -5.118 4.749 1.00 0.00 C ATOM 0 HA PRO A 66 -12.568 -8.323 4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.683 -7.519 6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.991 -7.251 6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.301 -5.333 6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.683 -5.045 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.393 -4.264 4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.765 -4.818 4.737 1.00 0.00 H new TER 840 PRO A 66