USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=10 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 14 THR OG1 : rot -123:sc= -0.0628 USER MOD Set 1.2: A 18 ASN : amide:sc= 0.46 K(o=0.23,f=-2.2) USER MOD Set 1.3: A 20 LYS NZ :NH3+ 155:sc= -0.164 (180deg=-0.305) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=0.72) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -0.0353 (180deg=-0.233) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) 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 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 44 GLN : amide:sc= -0.171 K(o=-0.17,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.39 USER MOD Single : A 59 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.897 -11.985 -4.671 1.00 0.00 N ATOM 2 CA GLN A 11 -10.492 -12.118 -4.203 1.00 0.00 C ATOM 3 C GLN A 11 -10.390 -11.901 -2.697 1.00 0.00 C ATOM 4 O GLN A 11 -11.240 -11.247 -2.095 1.00 0.00 O ATOM 5 CB GLN A 11 -9.635 -11.090 -4.946 1.00 0.00 C ATOM 6 CG GLN A 11 -8.285 -11.631 -5.389 1.00 0.00 C ATOM 7 CD GLN A 11 -7.439 -10.585 -6.088 1.00 0.00 C ATOM 8 OE1 GLN A 11 -7.834 -10.041 -7.120 1.00 0.00 O ATOM 9 NE2 GLN A 11 -6.268 -10.300 -5.531 1.00 0.00 N ATOM 0 HA GLN A 11 -10.137 -13.127 -4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.181 -10.738 -5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.477 -10.226 -4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.746 -12.008 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.439 -12.476 -6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.981 -10.775 -4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.655 -9.606 -5.959 1.00 0.00 H new ATOM 18 N ALA A 12 -9.344 -12.457 -2.095 1.00 0.00 N ATOM 19 CA ALA A 12 -9.129 -12.325 -0.658 1.00 0.00 C ATOM 20 C ALA A 12 -7.906 -11.465 -0.362 1.00 0.00 C ATOM 21 O ALA A 12 -6.796 -11.775 -0.796 1.00 0.00 O ATOM 22 CB ALA A 12 -8.979 -13.698 -0.021 1.00 0.00 C ATOM 0 H ALA A 12 -8.632 -13.003 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.000 -11.830 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.819 -13.586 1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.884 -14.280 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.126 -14.213 -0.463 1.00 0.00 H new ATOM 28 N CYS A 13 -8.116 -10.382 0.380 1.00 0.00 N ATOM 29 CA CYS A 13 -7.030 -9.476 0.736 1.00 0.00 C ATOM 30 C CYS A 13 -6.834 -9.428 2.246 1.00 0.00 C ATOM 31 O CYS A 13 -7.764 -9.677 3.011 1.00 0.00 O ATOM 32 CB CYS A 13 -7.317 -8.070 0.207 1.00 0.00 C ATOM 33 SG CYS A 13 -6.003 -6.857 0.562 1.00 0.00 S ATOM 0 H CYS A 13 -9.028 -10.111 0.746 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.114 -9.851 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.466 -8.123 -0.872 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.252 -7.714 0.641 1.00 0.00 H new ATOM 38 N THR A 14 -5.617 -9.104 2.668 1.00 0.00 N ATOM 39 CA THR A 14 -5.301 -9.021 4.088 1.00 0.00 C ATOM 40 C THR A 14 -5.174 -7.566 4.529 1.00 0.00 C ATOM 41 O THR A 14 -4.285 -6.845 4.078 1.00 0.00 O ATOM 42 CB THR A 14 -4.001 -9.770 4.386 1.00 0.00 C ATOM 43 OG1 THR A 14 -3.628 -9.606 5.743 1.00 0.00 O ATOM 44 CG2 THR A 14 -2.839 -9.316 3.531 1.00 0.00 C ATOM 0 H THR A 14 -4.835 -8.895 2.048 1.00 0.00 H new ATOM 0 HA THR A 14 -6.115 -9.484 4.646 1.00 0.00 H new ATOM 0 HB THR A 14 -4.211 -10.815 4.158 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.724 -9.230 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.949 -9.888 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.076 -9.477 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.653 -8.256 3.703 1.00 0.00 H new ATOM 52 N LEU A 15 -6.069 -7.145 5.415 1.00 0.00 N ATOM 53 CA LEU A 15 -6.057 -5.776 5.920 1.00 0.00 C ATOM 54 C LEU A 15 -4.742 -5.475 6.635 1.00 0.00 C ATOM 55 O LEU A 15 -4.026 -6.390 7.039 1.00 0.00 O ATOM 56 CB LEU A 15 -7.233 -5.551 6.876 1.00 0.00 C ATOM 57 CG LEU A 15 -7.532 -6.715 7.825 1.00 0.00 C ATOM 58 CD1 LEU A 15 -7.829 -6.201 9.227 1.00 0.00 C ATOM 59 CD2 LEU A 15 -8.697 -7.544 7.302 1.00 0.00 C ATOM 0 H LEU A 15 -6.811 -7.730 5.798 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.154 -5.100 5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.032 -4.660 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.126 -5.345 6.286 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.650 -7.353 7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.039 -7.043 9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.966 -5.652 9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.695 -5.540 9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.895 -8.367 7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.584 -6.916 7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.447 -7.944 6.319 1.00 0.00 H new ATOM 71 N PRO A 16 -4.405 -4.185 6.803 1.00 0.00 N ATOM 72 CA PRO A 16 -3.172 -3.771 7.476 1.00 0.00 C ATOM 73 C PRO A 16 -2.997 -4.457 8.830 1.00 0.00 C ATOM 74 O PRO A 16 -1.878 -4.616 9.314 1.00 0.00 O ATOM 75 CB PRO A 16 -3.338 -2.252 7.658 1.00 0.00 C ATOM 76 CG PRO A 16 -4.762 -1.957 7.319 1.00 0.00 C ATOM 77 CD PRO A 16 -5.191 -3.027 6.359 1.00 0.00 C ATOM 0 HA PRO A 16 -2.288 -4.041 6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.109 -1.953 8.681 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.659 -1.703 7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.385 -1.963 8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.859 -0.969 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.263 -3.218 6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.970 -2.758 5.326 1.00 0.00 H new ATOM 85 N ASN A 17 -4.113 -4.861 9.431 1.00 0.00 N ATOM 86 CA ASN A 17 -4.084 -5.533 10.726 1.00 0.00 C ATOM 87 C ASN A 17 -3.886 -7.039 10.562 1.00 0.00 C ATOM 88 O ASN A 17 -3.583 -7.742 11.527 1.00 0.00 O ATOM 89 CB ASN A 17 -5.377 -5.258 11.494 1.00 0.00 C ATOM 90 CG ASN A 17 -5.158 -5.198 12.994 1.00 0.00 C ATOM 91 OD1 ASN A 17 -4.360 -5.956 13.546 1.00 0.00 O ATOM 92 ND2 ASN A 17 -5.866 -4.294 13.660 1.00 0.00 N ATOM 0 H ASN A 17 -5.047 -4.735 9.042 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.240 -5.137 11.291 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.804 -4.315 11.154 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.104 -6.038 11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.760 -4.207 14.671 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.516 -3.687 13.161 1.00 0.00 H new ATOM 99 N ASN A 18 -4.060 -7.533 9.337 1.00 0.00 N ATOM 100 CA ASN A 18 -3.898 -8.954 9.048 1.00 0.00 C ATOM 101 C ASN A 18 -4.980 -9.778 9.740 1.00 0.00 C ATOM 102 O ASN A 18 -4.775 -10.292 10.839 1.00 0.00 O ATOM 103 CB ASN A 18 -2.512 -9.437 9.482 1.00 0.00 C ATOM 104 CG ASN A 18 -1.547 -9.544 8.318 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.601 -8.751 7.376 1.00 0.00 O ATOM 106 ND2 ASN A 18 -0.656 -10.526 8.375 1.00 0.00 N ATOM 0 H ASN A 18 -4.314 -6.967 8.528 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.996 -9.090 7.971 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.107 -8.750 10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.604 -10.410 9.965 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.019 -10.646 7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.646 -11.160 9.174 1.00 0.00 H new ATOM 113 N ASP A 19 -6.132 -9.900 9.088 1.00 0.00 N ATOM 114 CA ASP A 19 -7.245 -10.664 9.638 1.00 0.00 C ATOM 115 C ASP A 19 -8.095 -11.279 8.529 1.00 0.00 C ATOM 116 O ASP A 19 -9.267 -11.598 8.736 1.00 0.00 O ATOM 117 CB ASP A 19 -8.115 -9.770 10.526 1.00 0.00 C ATOM 118 CG ASP A 19 -7.370 -9.265 11.744 1.00 0.00 C ATOM 119 OD1 ASP A 19 -6.487 -8.396 11.583 1.00 0.00 O ATOM 120 OD2 ASP A 19 -7.670 -9.736 12.862 1.00 0.00 O ATOM 0 H ASP A 19 -6.319 -9.479 8.178 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.830 -11.473 10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.471 -8.920 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.995 -10.328 10.847 1.00 0.00 H new ATOM 125 N LYS A 20 -7.496 -11.447 7.353 1.00 0.00 N ATOM 126 CA LYS A 20 -8.196 -12.030 6.212 1.00 0.00 C ATOM 127 C LYS A 20 -9.376 -11.159 5.787 1.00 0.00 C ATOM 128 O LYS A 20 -10.165 -10.714 6.618 1.00 0.00 O ATOM 129 CB LYS A 20 -8.685 -13.440 6.550 1.00 0.00 C ATOM 130 CG LYS A 20 -7.660 -14.279 7.297 1.00 0.00 C ATOM 131 CD LYS A 20 -6.441 -14.569 6.435 1.00 0.00 C ATOM 132 CE LYS A 20 -5.280 -13.648 6.777 1.00 0.00 C ATOM 133 NZ LYS A 20 -4.760 -12.941 5.576 1.00 0.00 N ATOM 0 H LYS A 20 -6.528 -11.188 7.165 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.493 -12.085 5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.590 -13.366 7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.957 -13.952 5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.351 -13.756 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.116 -15.218 7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.136 -15.606 6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.702 -14.451 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.603 -12.916 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.478 -14.229 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.299 -12.056 5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.070 -13.547 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.548 -12.725 4.932 1.00 0.00 H new ATOM 147 N GLY A 21 -9.490 -10.920 4.482 1.00 0.00 N ATOM 148 CA GLY A 21 -10.576 -10.106 3.970 1.00 0.00 C ATOM 149 C GLY A 21 -10.895 -10.403 2.516 1.00 0.00 C ATOM 150 O GLY A 21 -10.574 -11.477 2.008 1.00 0.00 O ATOM 0 H GLY A 21 -8.850 -11.276 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.467 -10.274 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.315 -9.053 4.073 1.00 0.00 H new ATOM 154 N THR A 22 -11.530 -9.444 1.849 1.00 0.00 N ATOM 155 CA THR A 22 -11.898 -9.595 0.446 1.00 0.00 C ATOM 156 C THR A 22 -11.407 -8.401 -0.367 1.00 0.00 C ATOM 157 O THR A 22 -11.354 -7.283 0.137 1.00 0.00 O ATOM 158 CB THR A 22 -13.415 -9.734 0.304 1.00 0.00 C ATOM 159 OG1 THR A 22 -13.907 -10.748 1.163 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.856 -10.070 -1.104 1.00 0.00 C ATOM 0 H THR A 22 -11.801 -8.551 2.260 1.00 0.00 H new ATOM 0 HA THR A 22 -11.424 -10.499 0.064 1.00 0.00 H new ATOM 0 HB THR A 22 -13.822 -8.758 0.571 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.879 -10.821 1.060 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.942 -10.154 -1.135 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.534 -9.282 -1.784 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.410 -11.017 -1.409 1.00 0.00 H new ATOM 168 N CYS A 23 -11.038 -8.643 -1.621 1.00 0.00 N ATOM 169 CA CYS A 23 -10.544 -7.572 -2.482 1.00 0.00 C ATOM 170 C CYS A 23 -11.439 -7.381 -3.701 1.00 0.00 C ATOM 171 O CYS A 23 -11.680 -8.315 -4.465 1.00 0.00 O ATOM 172 CB CYS A 23 -9.114 -7.864 -2.934 1.00 0.00 C ATOM 173 SG CYS A 23 -8.054 -6.384 -3.025 1.00 0.00 S ATOM 0 H CYS A 23 -11.071 -9.562 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.556 -6.651 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.664 -8.580 -2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.143 -8.340 -3.914 1.00 0.00 H new ATOM 178 N LYS A 24 -11.922 -6.156 -3.875 1.00 0.00 N ATOM 179 CA LYS A 24 -12.784 -5.821 -5.001 1.00 0.00 C ATOM 180 C LYS A 24 -12.515 -4.395 -5.472 1.00 0.00 C ATOM 181 O LYS A 24 -11.831 -3.629 -4.793 1.00 0.00 O ATOM 182 CB LYS A 24 -14.256 -5.974 -4.609 1.00 0.00 C ATOM 183 CG LYS A 24 -14.590 -5.382 -3.249 1.00 0.00 C ATOM 184 CD LYS A 24 -16.092 -5.298 -3.033 1.00 0.00 C ATOM 185 CE LYS A 24 -16.629 -6.555 -2.368 1.00 0.00 C ATOM 186 NZ LYS A 24 -16.204 -6.655 -0.945 1.00 0.00 N ATOM 0 H LYS A 24 -11.730 -5.376 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.564 -6.508 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.876 -5.495 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.515 -7.033 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.142 -5.993 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.153 -4.387 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.324 -4.430 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.591 -5.150 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.718 -6.558 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.280 -7.432 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.847 -7.294 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.235 -7.029 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.234 -5.712 -0.507 1.00 0.00 H new ATOM 200 N SER A 25 -13.057 -4.042 -6.632 1.00 0.00 N ATOM 201 CA SER A 25 -12.869 -2.703 -7.179 1.00 0.00 C ATOM 202 C SER A 25 -13.421 -1.653 -6.220 1.00 0.00 C ATOM 203 O SER A 25 -14.025 -1.987 -5.201 1.00 0.00 O ATOM 204 CB SER A 25 -13.558 -2.582 -8.539 1.00 0.00 C ATOM 205 OG SER A 25 -13.087 -3.570 -9.439 1.00 0.00 O ATOM 0 H SER A 25 -13.627 -4.660 -7.209 1.00 0.00 H new ATOM 0 HA SER A 25 -11.800 -2.532 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.636 -2.683 -8.414 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.377 -1.591 -8.955 1.00 0.00 H new ATOM 0 HG SER A 25 -13.544 -3.472 -10.300 1.00 0.00 H new ATOM 211 N LEU A 26 -13.211 -0.383 -6.551 1.00 0.00 N ATOM 212 CA LEU A 26 -13.694 0.709 -5.715 1.00 0.00 C ATOM 213 C LEU A 26 -15.059 1.199 -6.187 1.00 0.00 C ATOM 214 O LEU A 26 -15.401 2.370 -6.017 1.00 0.00 O ATOM 215 CB LEU A 26 -12.692 1.867 -5.721 1.00 0.00 C ATOM 216 CG LEU A 26 -12.312 2.389 -7.110 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.845 3.799 -7.317 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.802 2.357 -7.296 1.00 0.00 C ATOM 0 H LEU A 26 -12.711 -0.086 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.798 0.332 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.109 2.691 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.785 1.545 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.766 1.738 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.565 4.152 -8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.931 3.794 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.421 4.462 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.550 2.731 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.329 2.984 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.444 1.333 -7.193 1.00 0.00 H new ATOM 230 N LEU A 27 -15.838 0.297 -6.776 1.00 0.00 N ATOM 231 CA LEU A 27 -17.168 0.637 -7.268 1.00 0.00 C ATOM 232 C LEU A 27 -18.183 -0.433 -6.877 1.00 0.00 C ATOM 233 O LEU A 27 -19.199 -0.612 -7.546 1.00 0.00 O ATOM 234 CB LEU A 27 -17.146 0.805 -8.788 1.00 0.00 C ATOM 235 CG LEU A 27 -16.215 1.901 -9.306 1.00 0.00 C ATOM 236 CD1 LEU A 27 -16.229 1.939 -10.827 1.00 0.00 C ATOM 237 CD2 LEU A 27 -16.616 3.253 -8.734 1.00 0.00 C ATOM 0 H LEU A 27 -15.570 -0.676 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.467 1.580 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.852 -0.143 -9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -18.159 1.019 -9.129 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.200 1.675 -8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.560 2.725 -11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.895 0.978 -11.218 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.241 2.141 -11.177 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.943 4.022 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.638 3.486 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.554 3.221 -7.646 1.00 0.00 H new ATOM 249 N GLN A 28 -17.898 -1.142 -5.787 1.00 0.00 N ATOM 250 CA GLN A 28 -18.785 -2.194 -5.307 1.00 0.00 C ATOM 251 C GLN A 28 -19.039 -2.047 -3.810 1.00 0.00 C ATOM 252 O GLN A 28 -20.186 -2.020 -3.364 1.00 0.00 O ATOM 253 CB GLN A 28 -18.186 -3.571 -5.599 1.00 0.00 C ATOM 254 CG GLN A 28 -18.053 -3.874 -7.083 1.00 0.00 C ATOM 255 CD GLN A 28 -17.382 -5.207 -7.348 1.00 0.00 C ATOM 256 OE1 GLN A 28 -16.371 -5.279 -8.046 1.00 0.00 O ATOM 257 NE2 GLN A 28 -17.944 -6.273 -6.791 1.00 0.00 N ATOM 0 H GLN A 28 -17.060 -1.006 -5.221 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.735 -2.101 -5.833 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -17.202 -3.636 -5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.810 -4.335 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -19.042 -3.872 -7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.479 -3.081 -7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.782 -6.168 -6.219 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.538 -7.197 -6.935 1.00 0.00 H new ATOM 266 N CYS A 29 -17.961 -1.945 -3.039 1.00 0.00 N ATOM 267 CA CYS A 29 -18.067 -1.796 -1.593 1.00 0.00 C ATOM 268 C CYS A 29 -18.850 -0.535 -1.236 1.00 0.00 C ATOM 269 O CYS A 29 -18.419 0.580 -1.531 1.00 0.00 O ATOM 270 CB CYS A 29 -16.673 -1.745 -0.960 1.00 0.00 C ATOM 271 SG CYS A 29 -16.449 -2.895 0.437 1.00 0.00 S ATOM 0 H CYS A 29 -17.004 -1.963 -3.392 1.00 0.00 H new ATOM 0 HA CYS A 29 -18.603 -2.660 -1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.930 -1.970 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.479 -0.729 -0.616 1.00 0.00 H new ATOM 276 N ASP A 30 -20.005 -0.721 -0.607 1.00 0.00 N ATOM 277 CA ASP A 30 -20.854 0.401 -0.215 1.00 0.00 C ATOM 278 C ASP A 30 -20.088 1.389 0.659 1.00 0.00 C ATOM 279 O ASP A 30 -20.347 2.592 0.626 1.00 0.00 O ATOM 280 CB ASP A 30 -22.090 -0.104 0.531 1.00 0.00 C ATOM 281 CG ASP A 30 -23.253 -0.380 -0.400 1.00 0.00 C ATOM 282 OD1 ASP A 30 -23.009 -0.838 -1.537 1.00 0.00 O ATOM 283 OD2 ASP A 30 -24.409 -0.140 0.006 1.00 0.00 O ATOM 0 H ASP A 30 -20.376 -1.638 -0.357 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.169 0.917 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.837 -1.016 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -22.390 0.635 1.274 1.00 0.00 H new ATOM 288 N VAL A 31 -19.143 0.874 1.438 1.00 0.00 N ATOM 289 CA VAL A 31 -18.340 1.714 2.320 1.00 0.00 C ATOM 290 C VAL A 31 -17.388 2.596 1.521 1.00 0.00 C ATOM 291 O VAL A 31 -17.172 3.759 1.860 1.00 0.00 O ATOM 292 CB VAL A 31 -17.527 0.869 3.319 1.00 0.00 C ATOM 293 CG1 VAL A 31 -18.454 0.104 4.251 1.00 0.00 C ATOM 294 CG2 VAL A 31 -16.596 -0.082 2.582 1.00 0.00 C ATOM 0 H VAL A 31 -18.914 -0.119 1.477 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.035 2.344 2.875 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.917 1.542 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.861 -0.487 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -19.074 0.808 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -19.092 -0.558 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.030 -0.670 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.183 -0.749 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -15.907 0.491 1.962 1.00 0.00 H new ATOM 304 N ALA A 32 -16.824 2.036 0.461 1.00 0.00 N ATOM 305 CA ALA A 32 -15.898 2.774 -0.385 1.00 0.00 C ATOM 306 C ALA A 32 -16.600 3.932 -1.086 1.00 0.00 C ATOM 307 O ALA A 32 -16.022 5.002 -1.272 1.00 0.00 O ATOM 308 CB ALA A 32 -15.259 1.844 -1.405 1.00 0.00 C ATOM 0 H ALA A 32 -16.991 1.074 0.166 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.115 3.189 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.569 2.410 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.715 1.054 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -16.035 1.401 -2.029 1.00 0.00 H new ATOM 314 N SER A 33 -17.848 3.707 -1.480 1.00 0.00 N ATOM 315 CA SER A 33 -18.633 4.727 -2.168 1.00 0.00 C ATOM 316 C SER A 33 -18.945 5.904 -1.251 1.00 0.00 C ATOM 317 O SER A 33 -18.955 7.056 -1.690 1.00 0.00 O ATOM 318 CB SER A 33 -19.934 4.122 -2.700 1.00 0.00 C ATOM 319 OG SER A 33 -20.725 5.106 -3.346 1.00 0.00 O ATOM 0 H SER A 33 -18.340 2.825 -1.335 1.00 0.00 H new ATOM 0 HA SER A 33 -18.038 5.098 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.706 3.317 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.497 3.680 -1.878 1.00 0.00 H new ATOM 0 HG SER A 33 -21.550 4.696 -3.679 1.00 0.00 H new ATOM 325 N LYS A 34 -19.204 5.616 0.018 1.00 0.00 N ATOM 326 CA LYS A 34 -19.521 6.663 0.984 1.00 0.00 C ATOM 327 C LYS A 34 -18.300 7.535 1.267 1.00 0.00 C ATOM 328 O LYS A 34 -18.427 8.731 1.527 1.00 0.00 O ATOM 329 CB LYS A 34 -20.057 6.053 2.285 1.00 0.00 C ATOM 330 CG LYS A 34 -19.012 5.308 3.102 1.00 0.00 C ATOM 331 CD LYS A 34 -19.231 5.501 4.593 1.00 0.00 C ATOM 332 CE LYS A 34 -17.939 5.320 5.373 1.00 0.00 C ATOM 333 NZ LYS A 34 -17.231 6.612 5.583 1.00 0.00 N ATOM 0 H LYS A 34 -19.201 4.671 0.402 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.297 7.295 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.482 6.848 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.870 5.368 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.050 4.245 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.017 5.660 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.632 6.498 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.975 4.788 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.159 4.866 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.286 4.631 4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.355 6.445 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.998 7.034 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.844 7.261 6.116 1.00 0.00 H new ATOM 347 N ILE A 35 -17.118 6.927 1.212 1.00 0.00 N ATOM 348 CA ILE A 35 -15.878 7.652 1.461 1.00 0.00 C ATOM 349 C ILE A 35 -15.585 8.643 0.341 1.00 0.00 C ATOM 350 O ILE A 35 -15.115 9.754 0.587 1.00 0.00 O ATOM 351 CB ILE A 35 -14.683 6.689 1.610 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.979 5.633 2.675 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.417 7.458 1.959 1.00 0.00 C ATOM 354 CD1 ILE A 35 -14.319 4.298 2.404 1.00 0.00 C ATOM 0 H ILE A 35 -16.994 5.937 0.998 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.013 8.197 2.396 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.526 6.184 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.646 6.003 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.057 5.489 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.585 6.762 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.197 8.174 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.562 7.989 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.573 3.598 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.671 3.905 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.237 4.428 2.366 1.00 0.00 H new ATOM 366 N ILE A 36 -15.868 8.235 -0.890 1.00 0.00 N ATOM 367 CA ILE A 36 -15.637 9.087 -2.052 1.00 0.00 C ATOM 368 C ILE A 36 -16.568 10.297 -2.036 1.00 0.00 C ATOM 369 O ILE A 36 -16.197 11.384 -2.479 1.00 0.00 O ATOM 370 CB ILE A 36 -15.837 8.309 -3.368 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.934 7.073 -3.395 1.00 0.00 C ATOM 372 CG2 ILE A 36 -15.563 9.205 -4.568 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.467 7.394 -3.593 1.00 0.00 C ATOM 0 H ILE A 36 -16.258 7.319 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.603 9.428 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.875 7.979 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.054 6.526 -2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.263 6.411 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.710 8.637 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.247 10.053 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.536 9.567 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.890 6.469 -3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.333 7.914 -4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.121 8.030 -2.779 1.00 0.00 H new ATOM 385 N SER A 37 -17.778 10.097 -1.523 1.00 0.00 N ATOM 386 CA SER A 37 -18.762 11.171 -1.452 1.00 0.00 C ATOM 387 C SER A 37 -18.429 12.144 -0.323 1.00 0.00 C ATOM 388 O SER A 37 -18.784 13.322 -0.383 1.00 0.00 O ATOM 389 CB SER A 37 -20.163 10.593 -1.245 1.00 0.00 C ATOM 390 OG SER A 37 -21.110 11.622 -1.011 1.00 0.00 O ATOM 0 H SER A 37 -18.100 9.203 -1.151 1.00 0.00 H new ATOM 0 HA SER A 37 -18.736 11.716 -2.396 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.456 10.018 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.154 9.904 -0.401 1.00 0.00 H new ATOM 0 HG SER A 37 -21.998 11.227 -0.883 1.00 0.00 H new ATOM 396 N LYS A 38 -17.751 11.644 0.705 1.00 0.00 N ATOM 397 CA LYS A 38 -17.375 12.470 1.847 1.00 0.00 C ATOM 398 C LYS A 38 -16.134 13.301 1.538 1.00 0.00 C ATOM 399 O LYS A 38 -16.070 14.485 1.867 1.00 0.00 O ATOM 400 CB LYS A 38 -17.126 11.592 3.075 1.00 0.00 C ATOM 401 CG LYS A 38 -18.318 11.509 4.015 1.00 0.00 C ATOM 402 CD LYS A 38 -18.120 12.376 5.247 1.00 0.00 C ATOM 403 CE LYS A 38 -18.311 13.851 4.930 1.00 0.00 C ATOM 404 NZ LYS A 38 -19.576 14.385 5.506 1.00 0.00 N ATOM 0 H LYS A 38 -17.451 10.671 0.771 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.199 13.152 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.863 10.587 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.268 11.982 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.219 11.824 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.471 10.473 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.826 12.075 6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.119 12.216 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.466 14.418 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.317 13.992 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.668 15.393 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.384 13.861 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.561 14.274 6.540 1.00 0.00 H new ATOM 418 N LYS A 39 -15.152 12.670 0.906 1.00 0.00 N ATOM 419 CA LYS A 39 -13.911 13.349 0.554 1.00 0.00 C ATOM 420 C LYS A 39 -13.240 12.672 -0.641 1.00 0.00 C ATOM 421 O LYS A 39 -12.406 11.783 -0.472 1.00 0.00 O ATOM 422 CB LYS A 39 -12.956 13.364 1.747 1.00 0.00 C ATOM 423 CG LYS A 39 -13.227 14.493 2.729 1.00 0.00 C ATOM 424 CD LYS A 39 -11.946 15.214 3.121 1.00 0.00 C ATOM 425 CE LYS A 39 -11.528 16.225 2.065 1.00 0.00 C ATOM 426 NZ LYS A 39 -11.052 17.497 2.673 1.00 0.00 N ATOM 0 H LYS A 39 -15.191 11.690 0.627 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.154 14.376 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.029 12.412 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.933 13.449 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.924 15.204 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.707 14.092 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.091 15.722 4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.148 14.486 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.737 15.799 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.371 16.431 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.776 18.160 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.815 17.917 3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.232 17.305 3.282 1.00 0.00 H new ATOM 440 N PRO A 40 -13.600 13.087 -1.869 1.00 0.00 N ATOM 441 CA PRO A 40 -13.030 12.514 -3.094 1.00 0.00 C ATOM 442 C PRO A 40 -11.509 12.624 -3.136 1.00 0.00 C ATOM 443 O PRO A 40 -10.962 13.694 -3.403 1.00 0.00 O ATOM 444 CB PRO A 40 -13.656 13.356 -4.211 1.00 0.00 C ATOM 445 CG PRO A 40 -14.895 13.927 -3.613 1.00 0.00 C ATOM 446 CD PRO A 40 -14.589 14.139 -2.158 1.00 0.00 C ATOM 0 HA PRO A 40 -13.241 11.448 -3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.977 14.143 -4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.884 12.746 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.165 14.866 -4.096 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.739 13.249 -3.740 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.185 15.134 -1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.480 14.036 -1.539 1.00 0.00 H new ATOM 454 N ARG A 41 -10.836 11.509 -2.877 1.00 0.00 N ATOM 455 CA ARG A 41 -9.376 11.474 -2.891 1.00 0.00 C ATOM 456 C ARG A 41 -8.789 12.379 -1.813 1.00 0.00 C ATOM 457 O ARG A 41 -9.152 13.550 -1.701 1.00 0.00 O ATOM 458 CB ARG A 41 -8.848 11.890 -4.265 1.00 0.00 C ATOM 459 CG ARG A 41 -8.580 10.715 -5.194 1.00 0.00 C ATOM 460 CD ARG A 41 -9.700 10.537 -6.205 1.00 0.00 C ATOM 461 NE ARG A 41 -9.909 9.133 -6.550 1.00 0.00 N ATOM 462 CZ ARG A 41 -10.693 8.723 -7.546 1.00 0.00 C ATOM 463 NH1 ARG A 41 -11.341 9.605 -8.294 1.00 0.00 N ATOM 464 NH2 ARG A 41 -10.827 7.427 -7.791 1.00 0.00 N ATOM 0 H ARG A 41 -11.277 10.616 -2.655 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.066 10.450 -2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.570 12.558 -4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.926 12.457 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.637 10.872 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.470 9.803 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.623 10.952 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.466 11.101 -7.108 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.427 8.425 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.241 10.603 -8.108 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.940 9.286 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.330 6.745 -7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.427 7.111 -8.553 1.00 0.00 H new ATOM 478 N THR A 42 -7.873 11.825 -1.026 1.00 0.00 N ATOM 479 CA THR A 42 -7.219 12.568 0.042 1.00 0.00 C ATOM 480 C THR A 42 -5.902 11.902 0.420 1.00 0.00 C ATOM 481 O THR A 42 -5.731 10.699 0.226 1.00 0.00 O ATOM 482 CB THR A 42 -8.134 12.658 1.267 1.00 0.00 C ATOM 483 OG1 THR A 42 -9.091 11.614 1.255 1.00 0.00 O ATOM 484 CG2 THR A 42 -8.886 13.968 1.357 1.00 0.00 C ATOM 0 H THR A 42 -7.566 10.856 -1.110 1.00 0.00 H new ATOM 0 HA THR A 42 -7.012 13.577 -0.315 1.00 0.00 H new ATOM 0 HB THR A 42 -7.472 12.578 2.129 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.665 11.687 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.515 13.966 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.175 14.792 1.417 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.510 14.091 0.472 1.00 0.00 H new ATOM 492 N ALA A 43 -4.970 12.684 0.955 1.00 0.00 N ATOM 493 CA ALA A 43 -3.670 12.151 1.350 1.00 0.00 C ATOM 494 C ALA A 43 -3.830 10.981 2.310 1.00 0.00 C ATOM 495 O ALA A 43 -3.092 9.998 2.238 1.00 0.00 O ATOM 496 CB ALA A 43 -2.816 13.243 1.977 1.00 0.00 C ATOM 0 H ALA A 43 -5.089 13.683 1.124 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.166 11.787 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.850 12.829 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.665 14.046 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.320 13.638 2.859 1.00 0.00 H new ATOM 502 N GLN A 44 -4.804 11.084 3.200 1.00 0.00 N ATOM 503 CA GLN A 44 -5.067 10.020 4.156 1.00 0.00 C ATOM 504 C GLN A 44 -5.768 8.857 3.467 1.00 0.00 C ATOM 505 O GLN A 44 -5.517 7.691 3.777 1.00 0.00 O ATOM 506 CB GLN A 44 -5.919 10.537 5.319 1.00 0.00 C ATOM 507 CG GLN A 44 -5.103 10.969 6.525 1.00 0.00 C ATOM 508 CD GLN A 44 -5.886 10.881 7.821 1.00 0.00 C ATOM 509 OE1 GLN A 44 -6.853 10.127 7.924 1.00 0.00 O ATOM 510 NE2 GLN A 44 -5.472 11.656 8.816 1.00 0.00 N ATOM 0 H GLN A 44 -5.424 11.890 3.281 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.114 9.672 4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.516 11.381 4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.616 9.756 5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.213 10.344 6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.762 11.994 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.665 12.266 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.961 11.642 9.711 1.00 0.00 H new ATOM 519 N ASP A 45 -6.648 9.189 2.529 1.00 0.00 N ATOM 520 CA ASP A 45 -7.396 8.186 1.786 1.00 0.00 C ATOM 521 C ASP A 45 -6.493 7.418 0.831 1.00 0.00 C ATOM 522 O ASP A 45 -6.660 6.214 0.641 1.00 0.00 O ATOM 523 CB ASP A 45 -8.541 8.841 1.012 1.00 0.00 C ATOM 524 CG ASP A 45 -9.412 7.825 0.299 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.669 6.750 0.880 1.00 0.00 O ATOM 526 OD2 ASP A 45 -9.839 8.107 -0.842 1.00 0.00 O ATOM 0 H ASP A 45 -6.860 10.151 2.265 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.810 7.479 2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.155 9.423 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.130 9.539 0.283 1.00 0.00 H new ATOM 531 N GLU A 46 -5.536 8.116 0.228 1.00 0.00 N ATOM 532 CA GLU A 46 -4.619 7.477 -0.707 1.00 0.00 C ATOM 533 C GLU A 46 -3.653 6.560 0.029 1.00 0.00 C ATOM 534 O GLU A 46 -3.355 5.459 -0.435 1.00 0.00 O ATOM 535 CB GLU A 46 -3.849 8.518 -1.524 1.00 0.00 C ATOM 536 CG GLU A 46 -3.175 9.585 -0.681 1.00 0.00 C ATOM 537 CD GLU A 46 -1.669 9.423 -0.626 1.00 0.00 C ATOM 538 OE1 GLU A 46 -0.990 9.858 -1.579 1.00 0.00 O ATOM 539 OE2 GLU A 46 -1.168 8.859 0.370 1.00 0.00 O ATOM 0 H GLU A 46 -5.377 9.114 0.368 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.212 6.876 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.093 8.009 -2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.535 8.999 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.416 10.568 -1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.577 9.550 0.331 1.00 0.00 H new ATOM 546 N LYS A 47 -3.174 7.008 1.181 1.00 0.00 N ATOM 547 CA LYS A 47 -2.253 6.205 1.976 1.00 0.00 C ATOM 548 C LYS A 47 -2.964 4.990 2.559 1.00 0.00 C ATOM 549 O LYS A 47 -2.391 3.902 2.646 1.00 0.00 O ATOM 550 CB LYS A 47 -1.634 7.043 3.097 1.00 0.00 C ATOM 551 CG LYS A 47 -2.636 7.488 4.148 1.00 0.00 C ATOM 552 CD LYS A 47 -1.949 8.160 5.328 1.00 0.00 C ATOM 553 CE LYS A 47 -1.160 9.384 4.894 1.00 0.00 C ATOM 554 NZ LYS A 47 -0.368 9.960 6.014 1.00 0.00 N ATOM 0 H LYS A 47 -3.405 7.916 1.584 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.454 5.859 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.847 6.464 3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.161 7.924 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.351 8.179 3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.203 6.626 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.696 8.451 6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.281 7.449 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.490 9.113 4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.845 10.139 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.156 10.793 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.009 10.242 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.304 9.248 6.366 1.00 0.00 H new ATOM 568 N PHE A 48 -4.215 5.185 2.961 1.00 0.00 N ATOM 569 CA PHE A 48 -5.007 4.111 3.544 1.00 0.00 C ATOM 570 C PHE A 48 -5.379 3.066 2.501 1.00 0.00 C ATOM 571 O PHE A 48 -5.337 1.865 2.772 1.00 0.00 O ATOM 572 CB PHE A 48 -6.272 4.675 4.194 1.00 0.00 C ATOM 573 CG PHE A 48 -7.022 3.670 5.022 1.00 0.00 C ATOM 574 CD1 PHE A 48 -7.703 2.626 4.419 1.00 0.00 C ATOM 575 CD2 PHE A 48 -7.047 3.773 6.404 1.00 0.00 C ATOM 576 CE1 PHE A 48 -8.394 1.701 5.178 1.00 0.00 C ATOM 577 CE2 PHE A 48 -7.737 2.850 7.168 1.00 0.00 C ATOM 578 CZ PHE A 48 -8.410 1.813 6.555 1.00 0.00 C ATOM 0 H PHE A 48 -4.702 6.079 2.893 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.398 3.626 4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.000 5.522 4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.932 5.056 3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.694 2.534 3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.522 4.583 6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.921 0.891 4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.749 2.941 8.244 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.948 1.090 7.150 1.00 0.00 H new ATOM 588 N LEU A 49 -5.742 3.520 1.308 1.00 0.00 N ATOM 589 CA LEU A 49 -6.114 2.604 0.239 1.00 0.00 C ATOM 590 C LEU A 49 -4.891 1.849 -0.266 1.00 0.00 C ATOM 591 O LEU A 49 -4.988 0.689 -0.661 1.00 0.00 O ATOM 592 CB LEU A 49 -6.798 3.346 -0.913 1.00 0.00 C ATOM 593 CG LEU A 49 -5.963 4.440 -1.581 1.00 0.00 C ATOM 594 CD1 LEU A 49 -4.894 3.831 -2.478 1.00 0.00 C ATOM 595 CD2 LEU A 49 -6.862 5.374 -2.378 1.00 0.00 C ATOM 0 H LEU A 49 -5.786 4.508 1.058 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.825 1.885 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.084 2.618 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.718 3.794 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.463 5.017 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.312 4.627 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.235 3.200 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.369 3.229 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.256 6.148 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.386 4.806 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.588 5.837 -1.710 1.00 0.00 H new ATOM 607 N ARG A 50 -3.737 2.510 -0.239 1.00 0.00 N ATOM 608 CA ARG A 50 -2.497 1.888 -0.686 1.00 0.00 C ATOM 609 C ARG A 50 -2.138 0.710 0.210 1.00 0.00 C ATOM 610 O ARG A 50 -1.643 -0.314 -0.259 1.00 0.00 O ATOM 611 CB ARG A 50 -1.358 2.910 -0.693 1.00 0.00 C ATOM 612 CG ARG A 50 -0.469 2.820 -1.922 1.00 0.00 C ATOM 613 CD ARG A 50 0.323 4.101 -2.134 1.00 0.00 C ATOM 614 NE ARG A 50 1.300 3.968 -3.213 1.00 0.00 N ATOM 615 CZ ARG A 50 2.344 4.777 -3.371 1.00 0.00 C ATOM 616 NH1 ARG A 50 2.552 5.778 -2.524 1.00 0.00 N ATOM 617 NH2 ARG A 50 3.182 4.587 -4.381 1.00 0.00 N ATOM 0 H ARG A 50 -3.636 3.471 0.086 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.644 1.522 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.780 3.913 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.747 2.767 0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.218 1.980 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.082 2.620 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.362 4.917 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.837 4.367 -1.210 1.00 0.00 H new ATOM 0 HE ARG A 50 1.174 3.210 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.909 5.930 -1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.354 6.395 -2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.026 3.821 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.983 5.207 -4.503 1.00 0.00 H new ATOM 631 N GLU A 51 -2.395 0.863 1.506 1.00 0.00 N ATOM 632 CA GLU A 51 -2.104 -0.189 2.472 1.00 0.00 C ATOM 633 C GLU A 51 -3.101 -1.336 2.345 1.00 0.00 C ATOM 634 O GLU A 51 -2.767 -2.493 2.600 1.00 0.00 O ATOM 635 CB GLU A 51 -2.132 0.375 3.894 1.00 0.00 C ATOM 636 CG GLU A 51 -0.763 0.776 4.416 1.00 0.00 C ATOM 637 CD GLU A 51 -0.827 1.943 5.382 1.00 0.00 C ATOM 638 OE1 GLU A 51 -0.921 3.097 4.912 1.00 0.00 O ATOM 639 OE2 GLU A 51 -0.783 1.704 6.607 1.00 0.00 O ATOM 0 H GLU A 51 -2.804 1.705 1.910 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.107 -0.576 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.790 1.244 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.563 -0.370 4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.303 -0.078 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.121 1.039 3.576 1.00 0.00 H new ATOM 646 N SER A 52 -4.328 -1.008 1.954 1.00 0.00 N ATOM 647 CA SER A 52 -5.376 -2.009 1.798 1.00 0.00 C ATOM 648 C SER A 52 -5.799 -2.144 0.337 1.00 0.00 C ATOM 649 O SER A 52 -6.990 -2.198 0.030 1.00 0.00 O ATOM 650 CB SER A 52 -6.588 -1.646 2.657 1.00 0.00 C ATOM 651 OG SER A 52 -6.193 -1.266 3.965 1.00 0.00 O ATOM 0 H SER A 52 -4.621 -0.055 1.739 1.00 0.00 H new ATOM 0 HA SER A 52 -4.974 -2.967 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.138 -0.830 2.189 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.267 -2.497 2.712 1.00 0.00 H new ATOM 0 HG SER A 52 -6.986 -1.037 4.493 1.00 0.00 H new ATOM 657 N ALA A 53 -4.820 -2.200 -0.559 1.00 0.00 N ATOM 658 CA ALA A 53 -5.102 -2.333 -1.984 1.00 0.00 C ATOM 659 C ALA A 53 -4.331 -3.496 -2.595 1.00 0.00 C ATOM 660 O ALA A 53 -3.177 -3.744 -2.242 1.00 0.00 O ATOM 661 CB ALA A 53 -4.768 -1.039 -2.714 1.00 0.00 C ATOM 0 H ALA A 53 -3.828 -2.156 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.167 -2.539 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.984 -1.154 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.370 -0.226 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.711 -0.809 -2.582 1.00 0.00 H new ATOM 667 N CYS A 54 -4.976 -4.208 -3.513 1.00 0.00 N ATOM 668 CA CYS A 54 -4.351 -5.347 -4.179 1.00 0.00 C ATOM 669 C CYS A 54 -3.689 -4.925 -5.489 1.00 0.00 C ATOM 670 O CYS A 54 -3.527 -5.738 -6.399 1.00 0.00 O ATOM 671 CB CYS A 54 -5.385 -6.438 -4.454 1.00 0.00 C ATOM 672 SG CYS A 54 -6.166 -7.124 -2.958 1.00 0.00 S ATOM 0 H CYS A 54 -5.932 -4.017 -3.814 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.582 -5.739 -3.513 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.162 -6.031 -5.101 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.904 -7.248 -5.003 1.00 0.00 H new ATOM 677 N GLY A 55 -3.310 -3.655 -5.580 1.00 0.00 N ATOM 678 CA GLY A 55 -2.673 -3.160 -6.787 1.00 0.00 C ATOM 679 C GLY A 55 -1.248 -2.705 -6.548 1.00 0.00 C ATOM 680 O GLY A 55 -0.936 -2.138 -5.501 1.00 0.00 O ATOM 0 H GLY A 55 -3.432 -2.961 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.678 -3.944 -7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.254 -2.328 -7.185 1.00 0.00 H new ATOM 684 N PHE A 56 -0.382 -2.953 -7.523 1.00 0.00 N ATOM 685 CA PHE A 56 1.020 -2.567 -7.420 1.00 0.00 C ATOM 686 C PHE A 56 1.328 -1.397 -8.351 1.00 0.00 C ATOM 687 O PHE A 56 2.222 -0.595 -8.081 1.00 0.00 O ATOM 688 CB PHE A 56 1.924 -3.752 -7.757 1.00 0.00 C ATOM 689 CG PHE A 56 2.043 -4.754 -6.642 1.00 0.00 C ATOM 690 CD1 PHE A 56 1.097 -5.752 -6.488 1.00 0.00 C ATOM 691 CD2 PHE A 56 3.102 -4.694 -5.751 1.00 0.00 C ATOM 692 CE1 PHE A 56 1.202 -6.675 -5.465 1.00 0.00 C ATOM 693 CE2 PHE A 56 3.213 -5.614 -4.725 1.00 0.00 C ATOM 694 CZ PHE A 56 2.262 -6.605 -4.581 1.00 0.00 C ATOM 0 H PHE A 56 -0.627 -3.421 -8.396 1.00 0.00 H new ATOM 0 HA PHE A 56 1.212 -2.255 -6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.537 -4.253 -8.645 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.918 -3.381 -8.008 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.266 -5.810 -7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.848 -3.921 -5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.457 -7.450 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.043 -5.558 -4.036 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.346 -7.324 -3.779 1.00 0.00 H new ATOM 704 N ASP A 57 0.581 -1.310 -9.447 1.00 0.00 N ATOM 705 CA ASP A 57 0.772 -0.242 -10.419 1.00 0.00 C ATOM 706 C ASP A 57 -0.229 0.886 -10.187 1.00 0.00 C ATOM 707 O ASP A 57 -1.207 0.721 -9.457 1.00 0.00 O ATOM 708 CB ASP A 57 0.624 -0.790 -11.841 1.00 0.00 C ATOM 709 CG ASP A 57 1.869 -0.571 -12.678 1.00 0.00 C ATOM 710 OD1 ASP A 57 2.595 0.411 -12.417 1.00 0.00 O ATOM 711 OD2 ASP A 57 2.119 -1.383 -13.593 1.00 0.00 O ATOM 0 H ASP A 57 -0.162 -1.967 -9.683 1.00 0.00 H new ATOM 0 HA ASP A 57 1.778 0.158 -10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.403 -1.856 -11.795 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.226 -0.309 -12.326 1.00 0.00 H new ATOM 716 N GLY A 58 0.021 2.031 -10.814 1.00 0.00 N ATOM 717 CA GLY A 58 -0.869 3.168 -10.662 1.00 0.00 C ATOM 718 C GLY A 58 -1.945 3.212 -11.732 1.00 0.00 C ATOM 719 O GLY A 58 -2.604 4.237 -11.916 1.00 0.00 O ATOM 0 H GLY A 58 0.823 2.192 -11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.340 3.128 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.287 4.089 -10.699 1.00 0.00 H new ATOM 723 N GLN A 59 -2.125 2.100 -12.440 1.00 0.00 N ATOM 724 CA GLN A 59 -3.127 2.019 -13.497 1.00 0.00 C ATOM 725 C GLN A 59 -4.235 1.030 -13.134 1.00 0.00 C ATOM 726 O GLN A 59 -5.319 1.061 -13.716 1.00 0.00 O ATOM 727 CB GLN A 59 -2.470 1.607 -14.817 1.00 0.00 C ATOM 728 CG GLN A 59 -2.492 2.699 -15.874 1.00 0.00 C ATOM 729 CD GLN A 59 -1.186 2.797 -16.637 1.00 0.00 C ATOM 730 OE1 GLN A 59 -0.153 2.301 -16.190 1.00 0.00 O ATOM 731 NE2 GLN A 59 -1.227 3.443 -17.797 1.00 0.00 N ATOM 0 H GLN A 59 -1.590 1.243 -12.300 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.576 3.006 -13.611 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.436 1.320 -14.625 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.979 0.725 -15.207 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.304 2.505 -16.575 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.703 3.656 -15.398 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.106 3.839 -18.129 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.379 3.543 -18.355 1.00 0.00 H new ATOM 740 N THR A 60 -3.955 0.151 -12.175 1.00 0.00 N ATOM 741 CA THR A 60 -4.928 -0.846 -11.741 1.00 0.00 C ATOM 742 C THR A 60 -5.568 -0.444 -10.412 1.00 0.00 C ATOM 743 O THR A 60 -5.006 -0.690 -9.346 1.00 0.00 O ATOM 744 CB THR A 60 -4.253 -2.213 -11.603 1.00 0.00 C ATOM 745 OG1 THR A 60 -3.692 -2.621 -12.839 1.00 0.00 O ATOM 746 CG2 THR A 60 -5.197 -3.306 -11.148 1.00 0.00 C ATOM 0 H THR A 60 -3.062 0.109 -11.684 1.00 0.00 H new ATOM 0 HA THR A 60 -5.713 -0.907 -12.495 1.00 0.00 H new ATOM 0 HB THR A 60 -3.484 -2.079 -10.842 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.264 -3.496 -12.731 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.653 -4.248 -11.071 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.612 -3.046 -10.174 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.006 -3.412 -11.871 1.00 0.00 H new ATOM 754 N PRO A 61 -6.756 0.187 -10.459 1.00 0.00 N ATOM 755 CA PRO A 61 -7.465 0.624 -9.252 1.00 0.00 C ATOM 756 C PRO A 61 -8.159 -0.526 -8.526 1.00 0.00 C ATOM 757 O PRO A 61 -9.115 -1.107 -9.037 1.00 0.00 O ATOM 758 CB PRO A 61 -8.500 1.606 -9.801 1.00 0.00 C ATOM 759 CG PRO A 61 -8.789 1.111 -11.175 1.00 0.00 C ATOM 760 CD PRO A 61 -7.499 0.529 -11.688 1.00 0.00 C ATOM 0 HA PRO A 61 -6.787 1.051 -8.513 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.400 1.619 -9.186 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.111 2.624 -9.819 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.578 0.359 -11.161 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.134 1.922 -11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.675 -0.351 -12.307 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.952 1.246 -12.300 1.00 0.00 H new ATOM 768 N LYS A 62 -7.672 -0.844 -7.330 1.00 0.00 N ATOM 769 CA LYS A 62 -8.248 -1.919 -6.529 1.00 0.00 C ATOM 770 C LYS A 62 -8.338 -1.507 -5.062 1.00 0.00 C ATOM 771 O LYS A 62 -7.695 -0.547 -4.639 1.00 0.00 O ATOM 772 CB LYS A 62 -7.411 -3.194 -6.668 1.00 0.00 C ATOM 773 CG LYS A 62 -8.092 -4.282 -7.482 1.00 0.00 C ATOM 774 CD LYS A 62 -7.090 -5.298 -8.003 1.00 0.00 C ATOM 775 CE LYS A 62 -7.472 -5.801 -9.385 1.00 0.00 C ATOM 776 NZ LYS A 62 -8.604 -6.767 -9.332 1.00 0.00 N ATOM 0 H LYS A 62 -6.880 -0.372 -6.894 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.255 -2.118 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.458 -2.944 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.187 -3.582 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.836 -4.787 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.624 -3.832 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.099 -4.846 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.031 -6.139 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.746 -4.955 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.609 -6.279 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.834 -7.086 -10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.334 -7.586 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.436 -6.304 -8.913 1.00 0.00 H new ATOM 790 N VAL A 63 -9.139 -2.238 -4.289 1.00 0.00 N ATOM 791 CA VAL A 63 -9.306 -1.937 -2.872 1.00 0.00 C ATOM 792 C VAL A 63 -9.635 -3.193 -2.071 1.00 0.00 C ATOM 793 O VAL A 63 -10.294 -4.104 -2.570 1.00 0.00 O ATOM 794 CB VAL A 63 -10.416 -0.895 -2.646 1.00 0.00 C ATOM 795 CG1 VAL A 63 -10.438 -0.443 -1.194 1.00 0.00 C ATOM 796 CG2 VAL A 63 -10.231 0.293 -3.579 1.00 0.00 C ATOM 0 H VAL A 63 -9.679 -3.038 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.356 -1.530 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.376 -1.359 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.229 0.293 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.623 -1.302 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.477 0.003 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.025 1.019 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.264 0.759 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.271 -0.047 -4.614 1.00 0.00 H new ATOM 806 N CYS A 64 -9.171 -3.230 -0.826 1.00 0.00 N ATOM 807 CA CYS A 64 -9.417 -4.369 0.049 1.00 0.00 C ATOM 808 C CYS A 64 -10.550 -4.069 1.029 1.00 0.00 C ATOM 809 O CYS A 64 -10.498 -3.093 1.775 1.00 0.00 O ATOM 810 CB CYS A 64 -8.148 -4.728 0.825 1.00 0.00 C ATOM 811 SG CYS A 64 -6.716 -5.128 -0.228 1.00 0.00 S ATOM 0 H CYS A 64 -8.622 -2.483 -0.401 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.709 -5.214 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.885 -3.893 1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.359 -5.580 1.471 1.00 0.00 H new ATOM 816 N CYS A 65 -11.572 -4.919 1.018 1.00 0.00 N ATOM 817 CA CYS A 65 -12.718 -4.755 1.905 1.00 0.00 C ATOM 818 C CYS A 65 -12.868 -5.967 2.824 1.00 0.00 C ATOM 819 O CYS A 65 -13.134 -7.075 2.359 1.00 0.00 O ATOM 820 CB CYS A 65 -13.997 -4.563 1.084 1.00 0.00 C ATOM 821 SG CYS A 65 -14.454 -2.820 0.810 1.00 0.00 S ATOM 0 H CYS A 65 -11.630 -5.730 0.403 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.551 -3.871 2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.871 -5.050 0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.820 -5.067 1.591 1.00 0.00 H new ATOM 826 N PRO A 66 -12.697 -5.779 4.146 1.00 0.00 N ATOM 827 CA PRO A 66 -12.815 -6.871 5.119 1.00 0.00 C ATOM 828 C PRO A 66 -14.246 -7.388 5.238 1.00 0.00 C ATOM 829 O PRO A 66 -15.201 -6.676 4.930 1.00 0.00 O ATOM 830 CB PRO A 66 -12.368 -6.232 6.435 1.00 0.00 C ATOM 831 CG PRO A 66 -12.616 -4.774 6.253 1.00 0.00 C ATOM 832 CD PRO A 66 -12.376 -4.494 4.797 1.00 0.00 C ATOM 0 HA PRO A 66 -12.220 -7.737 4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.933 -6.627 7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.315 -6.432 6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.635 -4.513 6.538 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.948 -4.183 6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.013 -3.688 4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.345 -4.195 4.610 1.00 0.00 H new TER 840 PRO A 66