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 -144:sc= 0.142 USER MOD Set 1.2: A 18 ASN : amide:sc= 0.864 K(o=1,f=-4) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) 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+ -172:sc= 0 (180deg=-0.103) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 28 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 133:sc= -0.657 (180deg=-2.33!) USER MOD Single : A 37 SER OG : rot -27:sc= 0.344 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= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0493 K(o=-0.049,f=-0.84) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 78:sc= 0.173 USER MOD Single : A 59 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.57) 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 -12.247 -11.528 -4.997 1.00 0.00 N ATOM 2 CA GLN A 11 -10.920 -11.940 -4.469 1.00 0.00 C ATOM 3 C GLN A 11 -10.854 -11.777 -2.954 1.00 0.00 C ATOM 4 O GLN A 11 -11.590 -10.980 -2.373 1.00 0.00 O ATOM 5 CB GLN A 11 -9.843 -11.087 -5.141 1.00 0.00 C ATOM 6 CG GLN A 11 -9.505 -11.536 -6.553 1.00 0.00 C ATOM 7 CD GLN A 11 -8.010 -11.606 -6.802 1.00 0.00 C ATOM 8 OE1 GLN A 11 -7.459 -10.812 -7.565 1.00 0.00 O ATOM 9 NE2 GLN A 11 -7.348 -12.559 -6.158 1.00 0.00 N ATOM 0 HA GLN A 11 -10.757 -12.995 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.177 -10.050 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.938 -11.114 -4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.946 -12.516 -6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.956 -10.847 -7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.847 -13.195 -5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.341 -12.656 -6.286 1.00 0.00 H new ATOM 18 N ALA A 12 -9.966 -12.536 -2.320 1.00 0.00 N ATOM 19 CA ALA A 12 -9.805 -12.477 -0.872 1.00 0.00 C ATOM 20 C ALA A 12 -8.439 -11.913 -0.495 1.00 0.00 C ATOM 21 O ALA A 12 -7.405 -12.493 -0.823 1.00 0.00 O ATOM 22 CB ALA A 12 -9.993 -13.858 -0.263 1.00 0.00 C ATOM 0 H ALA A 12 -9.347 -13.199 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.569 -11.809 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.870 -13.799 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.993 -14.225 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.251 -14.542 -0.676 1.00 0.00 H new ATOM 28 N CYS A 13 -8.443 -10.777 0.197 1.00 0.00 N ATOM 29 CA CYS A 13 -7.202 -10.137 0.619 1.00 0.00 C ATOM 30 C CYS A 13 -7.153 -9.983 2.135 1.00 0.00 C ATOM 31 O CYS A 13 -8.163 -10.150 2.818 1.00 0.00 O ATOM 32 CB CYS A 13 -7.053 -8.766 -0.045 1.00 0.00 C ATOM 33 SG CYS A 13 -8.465 -7.648 0.235 1.00 0.00 S ATOM 0 H CYS A 13 -9.290 -10.282 0.477 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.376 -10.776 0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.146 -8.290 0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.921 -8.906 -1.118 1.00 0.00 H new ATOM 38 N THR A 14 -5.972 -9.663 2.652 1.00 0.00 N ATOM 39 CA THR A 14 -5.789 -9.483 4.087 1.00 0.00 C ATOM 40 C THR A 14 -5.585 -8.012 4.427 1.00 0.00 C ATOM 41 O THR A 14 -4.599 -7.399 4.016 1.00 0.00 O ATOM 42 CB THR A 14 -4.594 -10.304 4.575 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.309 -10.013 5.933 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.331 -10.057 3.780 1.00 0.00 C ATOM 0 H THR A 14 -5.127 -9.523 2.098 1.00 0.00 H new ATOM 0 HA THR A 14 -6.690 -9.832 4.592 1.00 0.00 H new ATOM 0 HB THR A 14 -4.887 -11.346 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.340 -10.038 6.077 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.524 -10.671 4.179 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.502 -10.317 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.056 -9.005 3.852 1.00 0.00 H new ATOM 52 N LEU A 15 -6.523 -7.450 5.182 1.00 0.00 N ATOM 53 CA LEU A 15 -6.449 -6.049 5.581 1.00 0.00 C ATOM 54 C LEU A 15 -5.164 -5.774 6.357 1.00 0.00 C ATOM 55 O LEU A 15 -4.536 -6.696 6.878 1.00 0.00 O ATOM 56 CB LEU A 15 -7.663 -5.678 6.437 1.00 0.00 C ATOM 57 CG LEU A 15 -8.083 -6.736 7.461 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.442 -6.084 8.788 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.252 -7.555 6.935 1.00 0.00 C ATOM 0 H LEU A 15 -7.345 -7.944 5.530 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.447 -5.438 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.446 -4.750 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.507 -5.479 5.776 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.240 -7.407 7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.738 -6.852 9.503 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.578 -5.543 9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.268 -5.389 8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.536 -8.302 7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.099 -6.897 6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.960 -8.054 6.011 1.00 0.00 H new ATOM 71 N PRO A 16 -4.752 -4.497 6.448 1.00 0.00 N ATOM 72 CA PRO A 16 -3.536 -4.108 7.170 1.00 0.00 C ATOM 73 C PRO A 16 -3.495 -4.691 8.579 1.00 0.00 C ATOM 74 O PRO A 16 -2.421 -4.887 9.148 1.00 0.00 O ATOM 75 CB PRO A 16 -3.610 -2.573 7.221 1.00 0.00 C ATOM 76 CG PRO A 16 -4.989 -2.218 6.768 1.00 0.00 C ATOM 77 CD PRO A 16 -5.429 -3.333 5.866 1.00 0.00 C ATOM 0 HA PRO A 16 -2.637 -4.479 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.423 -2.206 8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.857 -2.123 6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.664 -2.114 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.993 -1.265 6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.513 -3.452 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.127 -3.162 4.833 1.00 0.00 H new ATOM 85 N ASN A 17 -4.669 -4.973 9.134 1.00 0.00 N ATOM 86 CA ASN A 17 -4.768 -5.540 10.474 1.00 0.00 C ATOM 87 C ASN A 17 -4.620 -7.060 10.439 1.00 0.00 C ATOM 88 O ASN A 17 -4.363 -7.690 11.464 1.00 0.00 O ATOM 89 CB ASN A 17 -6.103 -5.157 11.114 1.00 0.00 C ATOM 90 CG ASN A 17 -5.934 -4.605 12.516 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.922 -3.392 12.722 1.00 0.00 O ATOM 92 ND2 ASN A 17 -5.804 -5.498 13.491 1.00 0.00 N ATOM 0 H ASN A 17 -5.567 -4.818 8.676 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.955 -5.132 11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.601 -4.414 10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.752 -6.032 11.147 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.689 -5.187 14.456 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.820 -6.495 13.275 1.00 0.00 H new ATOM 99 N ASN A 18 -4.785 -7.644 9.252 1.00 0.00 N ATOM 100 CA ASN A 18 -4.670 -9.090 9.084 1.00 0.00 C ATOM 101 C ASN A 18 -5.829 -9.813 9.763 1.00 0.00 C ATOM 102 O ASN A 18 -5.721 -10.237 10.913 1.00 0.00 O ATOM 103 CB ASN A 18 -3.335 -9.591 9.647 1.00 0.00 C ATOM 104 CG ASN A 18 -2.485 -10.276 8.594 1.00 0.00 C ATOM 105 OD1 ASN A 18 -2.280 -9.746 7.504 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.987 -11.464 8.919 1.00 0.00 N ATOM 0 H ASN A 18 -4.999 -7.137 8.393 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.707 -9.308 8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.782 -8.750 10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.526 -10.286 10.464 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.408 -11.974 8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.183 -11.866 9.836 1.00 0.00 H new ATOM 113 N ASP A 19 -6.937 -9.951 9.041 1.00 0.00 N ATOM 114 CA ASP A 19 -8.117 -10.625 9.572 1.00 0.00 C ATOM 115 C ASP A 19 -8.975 -11.194 8.447 1.00 0.00 C ATOM 116 O ASP A 19 -10.182 -11.383 8.609 1.00 0.00 O ATOM 117 CB ASP A 19 -8.943 -9.655 10.420 1.00 0.00 C ATOM 118 CG ASP A 19 -8.212 -9.214 11.672 1.00 0.00 C ATOM 119 OD1 ASP A 19 -8.073 -10.038 12.599 1.00 0.00 O ATOM 120 OD2 ASP A 19 -7.781 -8.044 11.726 1.00 0.00 O ATOM 0 H ASP A 19 -7.042 -9.605 8.087 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.781 -11.452 10.198 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.195 -8.779 9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.883 -10.131 10.700 1.00 0.00 H new ATOM 125 N LYS A 20 -8.348 -11.472 7.305 1.00 0.00 N ATOM 126 CA LYS A 20 -9.057 -12.022 6.154 1.00 0.00 C ATOM 127 C LYS A 20 -10.114 -11.045 5.645 1.00 0.00 C ATOM 128 O LYS A 20 -10.830 -10.424 6.430 1.00 0.00 O ATOM 129 CB LYS A 20 -9.715 -13.356 6.522 1.00 0.00 C ATOM 130 CG LYS A 20 -8.783 -14.314 7.249 1.00 0.00 C ATOM 131 CD LYS A 20 -9.533 -15.147 8.277 1.00 0.00 C ATOM 132 CE LYS A 20 -8.788 -15.202 9.601 1.00 0.00 C ATOM 133 NZ LYS A 20 -9.701 -15.482 10.743 1.00 0.00 N ATOM 0 H LYS A 20 -7.350 -11.325 7.153 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.330 -12.189 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.585 -13.162 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.079 -13.835 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.301 -14.973 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.992 -13.750 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.526 -14.725 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.673 -16.158 7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.020 -15.974 9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.277 -14.254 9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.153 -15.511 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.419 -14.732 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.170 -16.399 10.596 1.00 0.00 H new ATOM 147 N GLY A 21 -10.206 -10.916 4.325 1.00 0.00 N ATOM 148 CA GLY A 21 -11.178 -10.014 3.737 1.00 0.00 C ATOM 149 C GLY A 21 -11.363 -10.245 2.249 1.00 0.00 C ATOM 150 O GLY A 21 -11.013 -11.304 1.728 1.00 0.00 O ATOM 0 H GLY A 21 -9.626 -11.419 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.136 -10.139 4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.861 -8.985 3.904 1.00 0.00 H new ATOM 154 N THR A 22 -11.913 -9.246 1.566 1.00 0.00 N ATOM 155 CA THR A 22 -12.150 -9.334 0.129 1.00 0.00 C ATOM 156 C THR A 22 -11.448 -8.193 -0.600 1.00 0.00 C ATOM 157 O THR A 22 -11.319 -7.094 -0.066 1.00 0.00 O ATOM 158 CB THR A 22 -13.649 -9.302 -0.169 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.345 -10.217 0.658 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.981 -9.638 -1.607 1.00 0.00 C ATOM 0 H THR A 22 -12.204 -8.363 1.986 1.00 0.00 H new ATOM 0 HA THR A 22 -11.742 -10.280 -0.227 1.00 0.00 H new ATOM 0 HB THR A 22 -13.960 -8.276 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.303 -10.180 0.453 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.061 -9.597 -1.750 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.500 -8.918 -2.269 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.622 -10.641 -1.839 1.00 0.00 H new ATOM 168 N CYS A 23 -10.985 -8.462 -1.816 1.00 0.00 N ATOM 169 CA CYS A 23 -10.285 -7.452 -2.602 1.00 0.00 C ATOM 170 C CYS A 23 -11.032 -7.144 -3.896 1.00 0.00 C ATOM 171 O CYS A 23 -11.275 -8.029 -4.716 1.00 0.00 O ATOM 172 CB CYS A 23 -8.865 -7.918 -2.923 1.00 0.00 C ATOM 173 SG CYS A 23 -7.611 -6.597 -2.839 1.00 0.00 S ATOM 0 H CYS A 23 -11.081 -9.367 -2.277 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.238 -6.540 -2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.589 -8.711 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.854 -8.352 -3.923 1.00 0.00 H new ATOM 178 N LYS A 24 -11.388 -5.873 -4.069 1.00 0.00 N ATOM 179 CA LYS A 24 -12.103 -5.427 -5.258 1.00 0.00 C ATOM 180 C LYS A 24 -11.662 -4.022 -5.649 1.00 0.00 C ATOM 181 O LYS A 24 -10.965 -3.347 -4.891 1.00 0.00 O ATOM 182 CB LYS A 24 -13.613 -5.452 -5.011 1.00 0.00 C ATOM 183 CG LYS A 24 -14.033 -4.735 -3.738 1.00 0.00 C ATOM 184 CD LYS A 24 -15.541 -4.560 -3.669 1.00 0.00 C ATOM 185 CE LYS A 24 -16.181 -5.588 -2.749 1.00 0.00 C ATOM 186 NZ LYS A 24 -16.064 -6.970 -3.291 1.00 0.00 N ATOM 0 H LYS A 24 -11.191 -5.132 -3.396 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.868 -6.108 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.119 -4.993 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.948 -6.488 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.691 -5.300 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.550 -3.759 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.776 -3.557 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.965 -4.652 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.707 -5.542 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.233 -5.342 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.627 -7.621 -2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.416 -6.990 -4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.067 -7.266 -3.276 1.00 0.00 H new ATOM 200 N SER A 25 -12.069 -3.581 -6.836 1.00 0.00 N ATOM 201 CA SER A 25 -11.710 -2.253 -7.321 1.00 0.00 C ATOM 202 C SER A 25 -12.147 -1.177 -6.332 1.00 0.00 C ATOM 203 O SER A 25 -12.729 -1.480 -5.290 1.00 0.00 O ATOM 204 CB SER A 25 -12.350 -1.995 -8.687 1.00 0.00 C ATOM 205 OG SER A 25 -13.613 -2.628 -8.786 1.00 0.00 O ATOM 0 H SER A 25 -12.647 -4.123 -7.478 1.00 0.00 H new ATOM 0 HA SER A 25 -10.625 -2.211 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.464 -0.922 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.693 -2.362 -9.475 1.00 0.00 H new ATOM 0 HG SER A 25 -14.002 -2.447 -9.667 1.00 0.00 H new ATOM 211 N LEU A 26 -11.864 0.077 -6.664 1.00 0.00 N ATOM 212 CA LEU A 26 -12.231 1.195 -5.802 1.00 0.00 C ATOM 213 C LEU A 26 -13.549 1.818 -6.252 1.00 0.00 C ATOM 214 O LEU A 26 -13.772 3.016 -6.079 1.00 0.00 O ATOM 215 CB LEU A 26 -11.127 2.253 -5.801 1.00 0.00 C ATOM 216 CG LEU A 26 -10.819 2.874 -7.166 1.00 0.00 C ATOM 217 CD1 LEU A 26 -11.628 4.147 -7.368 1.00 0.00 C ATOM 218 CD2 LEU A 26 -9.330 3.159 -7.300 1.00 0.00 C ATOM 0 H LEU A 26 -11.382 0.345 -7.522 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.357 0.813 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.410 3.049 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.215 1.803 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.102 2.161 -7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.396 4.575 -8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.692 3.914 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.377 4.866 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.130 3.600 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.021 3.853 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.771 2.228 -7.201 1.00 0.00 H new ATOM 230 N LEU A 27 -14.420 0.996 -6.830 1.00 0.00 N ATOM 231 CA LEU A 27 -15.716 1.466 -7.304 1.00 0.00 C ATOM 232 C LEU A 27 -16.776 0.379 -7.152 1.00 0.00 C ATOM 233 O LEU A 27 -17.736 0.323 -7.921 1.00 0.00 O ATOM 234 CB LEU A 27 -15.622 1.904 -8.767 1.00 0.00 C ATOM 235 CG LEU A 27 -14.759 1.009 -9.660 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.599 -0.097 -10.278 1.00 0.00 C ATOM 237 CD2 LEU A 27 -14.083 1.836 -10.744 1.00 0.00 C ATOM 0 H LEU A 27 -14.251 0.001 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.009 2.322 -6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.629 1.943 -9.183 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.223 2.918 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.986 0.549 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.969 -0.723 -10.909 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.038 -0.705 -9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.393 0.343 -10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.473 1.185 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.842 2.323 -11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.449 2.593 -10.282 1.00 0.00 H new ATOM 249 N GLN A 28 -16.596 -0.482 -6.156 1.00 0.00 N ATOM 250 CA GLN A 28 -17.538 -1.567 -5.905 1.00 0.00 C ATOM 251 C GLN A 28 -17.947 -1.605 -4.436 1.00 0.00 C ATOM 252 O GLN A 28 -19.128 -1.739 -4.114 1.00 0.00 O ATOM 253 CB GLN A 28 -16.922 -2.909 -6.309 1.00 0.00 C ATOM 254 CG GLN A 28 -16.671 -3.037 -7.802 1.00 0.00 C ATOM 255 CD GLN A 28 -17.809 -3.729 -8.528 1.00 0.00 C ATOM 256 OE1 GLN A 28 -17.685 -4.879 -8.947 1.00 0.00 O ATOM 257 NE2 GLN A 28 -18.927 -3.028 -8.679 1.00 0.00 N ATOM 0 H GLN A 28 -15.807 -0.450 -5.510 1.00 0.00 H new ATOM 0 HA GLN A 28 -18.429 -1.387 -6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.980 -3.042 -5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.584 -3.714 -5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.523 -2.045 -8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.749 -3.594 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.986 -2.077 -8.315 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.727 -3.441 -9.159 1.00 0.00 H new ATOM 266 N CYS A 29 -16.965 -1.485 -3.548 1.00 0.00 N ATOM 267 CA CYS A 29 -17.225 -1.505 -2.113 1.00 0.00 C ATOM 268 C CYS A 29 -18.178 -0.381 -1.719 1.00 0.00 C ATOM 269 O CYS A 29 -17.862 0.799 -1.874 1.00 0.00 O ATOM 270 CB CYS A 29 -15.915 -1.379 -1.332 1.00 0.00 C ATOM 271 SG CYS A 29 -15.809 -2.474 0.121 1.00 0.00 S ATOM 0 H CYS A 29 -15.982 -1.373 -3.797 1.00 0.00 H new ATOM 0 HA CYS A 29 -17.694 -2.458 -1.867 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.083 -1.599 -2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.797 -0.346 -1.005 1.00 0.00 H new ATOM 276 N ASP A 30 -19.348 -0.755 -1.208 1.00 0.00 N ATOM 277 CA ASP A 30 -20.351 0.219 -0.795 1.00 0.00 C ATOM 278 C ASP A 30 -19.795 1.160 0.269 1.00 0.00 C ATOM 279 O ASP A 30 -20.051 2.364 0.244 1.00 0.00 O ATOM 280 CB ASP A 30 -21.597 -0.494 -0.264 1.00 0.00 C ATOM 281 CG ASP A 30 -22.873 0.026 -0.895 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.924 0.123 -2.139 1.00 0.00 O ATOM 283 OD2 ASP A 30 -23.822 0.337 -0.145 1.00 0.00 O ATOM 0 H ASP A 30 -19.624 -1.727 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.624 0.812 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.510 -1.563 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.652 -0.367 0.817 1.00 0.00 H new ATOM 288 N VAL A 31 -19.033 0.603 1.202 1.00 0.00 N ATOM 289 CA VAL A 31 -18.440 1.393 2.274 1.00 0.00 C ATOM 290 C VAL A 31 -17.411 2.373 1.725 1.00 0.00 C ATOM 291 O VAL A 31 -17.317 3.510 2.180 1.00 0.00 O ATOM 292 CB VAL A 31 -17.775 0.493 3.336 1.00 0.00 C ATOM 293 CG1 VAL A 31 -16.632 -0.304 2.726 1.00 0.00 C ATOM 294 CG2 VAL A 31 -17.288 1.322 4.515 1.00 0.00 C ATOM 0 H VAL A 31 -18.811 -0.392 1.238 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.249 1.951 2.745 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.522 -0.211 3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.177 -0.932 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.015 -0.932 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -15.884 0.381 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.822 0.668 5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.559 2.055 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.133 1.838 4.970 1.00 0.00 H new ATOM 304 N ALA A 32 -16.644 1.923 0.741 1.00 0.00 N ATOM 305 CA ALA A 32 -15.625 2.764 0.128 1.00 0.00 C ATOM 306 C ALA A 32 -16.259 3.945 -0.596 1.00 0.00 C ATOM 307 O ALA A 32 -15.720 5.051 -0.595 1.00 0.00 O ATOM 308 CB ALA A 32 -14.774 1.947 -0.833 1.00 0.00 C ATOM 0 H ALA A 32 -16.708 0.983 0.351 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.984 3.155 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.017 2.588 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.287 1.137 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.408 1.529 -1.615 1.00 0.00 H new ATOM 314 N SER A 33 -17.407 3.700 -1.218 1.00 0.00 N ATOM 315 CA SER A 33 -18.120 4.739 -1.952 1.00 0.00 C ATOM 316 C SER A 33 -18.635 5.829 -1.018 1.00 0.00 C ATOM 317 O SER A 33 -18.609 7.011 -1.359 1.00 0.00 O ATOM 318 CB SER A 33 -19.285 4.128 -2.732 1.00 0.00 C ATOM 319 OG SER A 33 -19.434 4.750 -3.997 1.00 0.00 O ATOM 0 H SER A 33 -17.865 2.789 -1.228 1.00 0.00 H new ATOM 0 HA SER A 33 -17.418 5.196 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.116 3.060 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.206 4.236 -2.160 1.00 0.00 H new ATOM 0 HG SER A 33 -20.184 4.340 -4.477 1.00 0.00 H new ATOM 325 N LYS A 34 -19.109 5.427 0.157 1.00 0.00 N ATOM 326 CA LYS A 34 -19.634 6.380 1.128 1.00 0.00 C ATOM 327 C LYS A 34 -18.522 7.272 1.676 1.00 0.00 C ATOM 328 O LYS A 34 -18.754 8.436 2.005 1.00 0.00 O ATOM 329 CB LYS A 34 -20.349 5.651 2.272 1.00 0.00 C ATOM 330 CG LYS A 34 -19.421 4.887 3.204 1.00 0.00 C ATOM 331 CD LYS A 34 -19.894 4.965 4.647 1.00 0.00 C ATOM 332 CE LYS A 34 -19.706 3.639 5.367 1.00 0.00 C ATOM 333 NZ LYS A 34 -20.608 2.584 4.829 1.00 0.00 N ATOM 0 H LYS A 34 -19.140 4.453 0.459 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.358 7.014 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.912 6.379 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -21.072 4.955 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.369 3.844 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.412 5.293 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.342 5.746 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -20.946 5.248 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.670 3.316 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -19.898 3.773 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -20.064 1.713 4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -21.368 2.395 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -21.023 2.907 3.932 1.00 0.00 H new ATOM 347 N ILE A 35 -17.315 6.723 1.770 1.00 0.00 N ATOM 348 CA ILE A 35 -16.173 7.477 2.276 1.00 0.00 C ATOM 349 C ILE A 35 -15.737 8.539 1.271 1.00 0.00 C ATOM 350 O ILE A 35 -15.320 9.634 1.652 1.00 0.00 O ATOM 351 CB ILE A 35 -14.979 6.553 2.588 1.00 0.00 C ATOM 352 CG1 ILE A 35 -15.413 5.423 3.524 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.834 7.347 3.205 1.00 0.00 C ATOM 354 CD1 ILE A 35 -14.598 4.157 3.362 1.00 0.00 C ATOM 0 H ILE A 35 -17.103 5.762 1.503 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.492 7.960 3.200 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.627 6.115 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.335 5.766 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.463 5.195 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.001 6.678 3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.510 8.120 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.172 7.812 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.961 3.399 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.696 3.790 2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.550 4.370 3.572 1.00 0.00 H new ATOM 366 N ILE A 36 -15.836 8.208 -0.010 1.00 0.00 N ATOM 367 CA ILE A 36 -15.454 9.131 -1.073 1.00 0.00 C ATOM 368 C ILE A 36 -16.488 10.242 -1.229 1.00 0.00 C ATOM 369 O ILE A 36 -16.150 11.376 -1.568 1.00 0.00 O ATOM 370 CB ILE A 36 -15.289 8.397 -2.419 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.279 7.254 -2.276 1.00 0.00 C ATOM 372 CG2 ILE A 36 -14.858 9.367 -3.513 1.00 0.00 C ATOM 373 CD1 ILE A 36 -12.844 7.715 -2.118 1.00 0.00 C ATOM 0 H ILE A 36 -16.178 7.305 -0.339 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.497 9.569 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.252 7.975 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.552 6.648 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.348 6.610 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.747 8.828 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.612 10.145 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.905 9.822 -3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.191 6.847 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.550 8.296 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.757 8.334 -1.225 1.00 0.00 H new ATOM 385 N SER A 37 -17.749 9.908 -0.980 1.00 0.00 N ATOM 386 CA SER A 37 -18.834 10.877 -1.092 1.00 0.00 C ATOM 387 C SER A 37 -19.212 11.449 0.275 1.00 0.00 C ATOM 388 O SER A 37 -20.049 12.346 0.369 1.00 0.00 O ATOM 389 CB SER A 37 -20.059 10.229 -1.740 1.00 0.00 C ATOM 390 OG SER A 37 -21.039 11.201 -2.063 1.00 0.00 O ATOM 0 H SER A 37 -18.046 8.973 -0.699 1.00 0.00 H new ATOM 0 HA SER A 37 -18.485 11.696 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.758 9.697 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.485 9.490 -1.062 1.00 0.00 H new ATOM 0 HG SER A 37 -20.949 11.969 -1.461 1.00 0.00 H new ATOM 396 N LYS A 38 -18.590 10.928 1.332 1.00 0.00 N ATOM 397 CA LYS A 38 -18.867 11.394 2.687 1.00 0.00 C ATOM 398 C LYS A 38 -18.596 12.889 2.816 1.00 0.00 C ATOM 399 O LYS A 38 -19.522 13.700 2.834 1.00 0.00 O ATOM 400 CB LYS A 38 -18.020 10.616 3.697 1.00 0.00 C ATOM 401 CG LYS A 38 -18.844 9.842 4.713 1.00 0.00 C ATOM 402 CD LYS A 38 -18.327 10.049 6.128 1.00 0.00 C ATOM 403 CE LYS A 38 -17.029 9.293 6.362 1.00 0.00 C ATOM 404 NZ LYS A 38 -17.272 7.902 6.834 1.00 0.00 N ATOM 0 H LYS A 38 -17.893 10.185 1.275 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.922 11.219 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.375 9.921 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.368 11.312 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.885 10.159 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.820 8.780 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.167 11.112 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.078 9.715 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.453 9.267 5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.427 9.826 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.362 7.421 6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.800 7.927 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.825 7.385 6.121 1.00 0.00 H new ATOM 418 N LYS A 39 -17.320 13.245 2.901 1.00 0.00 N ATOM 419 CA LYS A 39 -16.920 14.642 3.027 1.00 0.00 C ATOM 420 C LYS A 39 -15.463 14.833 2.603 1.00 0.00 C ATOM 421 O LYS A 39 -15.185 15.496 1.604 1.00 0.00 O ATOM 422 CB LYS A 39 -17.121 15.130 4.464 1.00 0.00 C ATOM 423 CG LYS A 39 -18.432 15.870 4.682 1.00 0.00 C ATOM 424 CD LYS A 39 -18.506 17.135 3.844 1.00 0.00 C ATOM 425 CE LYS A 39 -19.730 17.964 4.196 1.00 0.00 C ATOM 426 NZ LYS A 39 -20.955 17.461 3.513 1.00 0.00 N ATOM 0 H LYS A 39 -16.543 12.585 2.885 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.551 15.235 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.081 14.274 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.294 15.787 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -19.266 15.216 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.536 16.125 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.606 17.729 4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.535 16.871 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.883 17.947 5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.558 19.003 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -21.768 18.052 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -20.819 17.501 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -21.134 16.478 3.800 1.00 0.00 H new ATOM 440 N PRO A 40 -14.507 14.254 3.356 1.00 0.00 N ATOM 441 CA PRO A 40 -13.080 14.376 3.043 1.00 0.00 C ATOM 442 C PRO A 40 -12.678 13.538 1.831 1.00 0.00 C ATOM 443 O PRO A 40 -13.346 12.563 1.488 1.00 0.00 O ATOM 444 CB PRO A 40 -12.397 13.848 4.304 1.00 0.00 C ATOM 445 CG PRO A 40 -13.376 12.889 4.886 1.00 0.00 C ATOM 446 CD PRO A 40 -14.738 13.444 4.570 1.00 0.00 C ATOM 0 HA PRO A 40 -12.804 15.399 2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.453 13.357 4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.171 14.655 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.251 11.895 4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.234 12.792 5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.463 12.650 4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.125 14.050 5.389 1.00 0.00 H new ATOM 454 N ARG A 41 -11.581 13.928 1.190 1.00 0.00 N ATOM 455 CA ARG A 41 -11.082 13.217 0.018 1.00 0.00 C ATOM 456 C ARG A 41 -9.820 13.881 -0.521 1.00 0.00 C ATOM 457 O ARG A 41 -9.863 14.609 -1.513 1.00 0.00 O ATOM 458 CB ARG A 41 -12.153 13.166 -1.074 1.00 0.00 C ATOM 459 CG ARG A 41 -12.763 14.521 -1.393 1.00 0.00 C ATOM 460 CD ARG A 41 -13.923 14.393 -2.368 1.00 0.00 C ATOM 461 NE ARG A 41 -14.213 15.655 -3.046 1.00 0.00 N ATOM 462 CZ ARG A 41 -13.512 16.119 -4.079 1.00 0.00 C ATOM 463 NH1 ARG A 41 -12.478 15.433 -4.551 1.00 0.00 N ATOM 464 NH2 ARG A 41 -13.846 17.272 -4.642 1.00 0.00 N ATOM 0 H ARG A 41 -11.019 14.734 1.463 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.837 12.199 0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.715 12.752 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.945 12.485 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.110 14.991 -0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.000 15.174 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.690 13.629 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.811 14.057 -1.832 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.998 16.213 -2.708 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.216 14.545 -4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.945 15.794 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.640 17.803 -4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.309 17.628 -5.433 1.00 0.00 H new ATOM 478 N THR A 42 -8.695 13.629 0.142 1.00 0.00 N ATOM 479 CA THR A 42 -7.421 14.205 -0.269 1.00 0.00 C ATOM 480 C THR A 42 -6.400 13.115 -0.578 1.00 0.00 C ATOM 481 O THR A 42 -6.741 11.934 -0.662 1.00 0.00 O ATOM 482 CB THR A 42 -6.882 15.128 0.826 1.00 0.00 C ATOM 483 OG1 THR A 42 -6.404 14.376 1.927 1.00 0.00 O ATOM 484 CG2 THR A 42 -7.915 16.103 1.349 1.00 0.00 C ATOM 0 H THR A 42 -8.641 13.030 0.966 1.00 0.00 H new ATOM 0 HA THR A 42 -7.589 14.784 -1.177 1.00 0.00 H new ATOM 0 HB THR A 42 -6.077 15.693 0.356 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.062 14.984 2.615 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.467 16.727 2.122 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.267 16.733 0.532 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.756 15.551 1.769 1.00 0.00 H new ATOM 492 N ALA A 43 -5.145 13.520 -0.745 1.00 0.00 N ATOM 493 CA ALA A 43 -4.067 12.584 -1.046 1.00 0.00 C ATOM 494 C ALA A 43 -3.958 11.501 0.021 1.00 0.00 C ATOM 495 O ALA A 43 -3.591 10.362 -0.272 1.00 0.00 O ATOM 496 CB ALA A 43 -2.746 13.329 -1.181 1.00 0.00 C ATOM 0 H ALA A 43 -4.849 14.494 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.299 12.097 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.950 12.620 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.820 14.058 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.521 13.843 -0.247 1.00 0.00 H new ATOM 502 N GLN A 44 -4.273 11.861 1.259 1.00 0.00 N ATOM 503 CA GLN A 44 -4.204 10.919 2.370 1.00 0.00 C ATOM 504 C GLN A 44 -5.125 9.726 2.131 1.00 0.00 C ATOM 505 O GLN A 44 -4.839 8.611 2.568 1.00 0.00 O ATOM 506 CB GLN A 44 -4.578 11.614 3.680 1.00 0.00 C ATOM 507 CG GLN A 44 -3.689 11.229 4.849 1.00 0.00 C ATOM 508 CD GLN A 44 -4.433 11.215 6.170 1.00 0.00 C ATOM 509 OE1 GLN A 44 -5.487 11.836 6.309 1.00 0.00 O ATOM 510 NE2 GLN A 44 -3.887 10.504 7.150 1.00 0.00 N ATOM 0 H GLN A 44 -4.579 12.799 1.519 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.179 10.554 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.527 12.693 3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.612 11.374 3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.263 10.243 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.856 11.929 4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.012 10.004 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.343 10.457 8.061 1.00 0.00 H new ATOM 519 N ASP A 45 -6.229 9.966 1.436 1.00 0.00 N ATOM 520 CA ASP A 45 -7.190 8.910 1.139 1.00 0.00 C ATOM 521 C ASP A 45 -6.622 7.922 0.124 1.00 0.00 C ATOM 522 O ASP A 45 -6.887 6.723 0.194 1.00 0.00 O ATOM 523 CB ASP A 45 -8.497 9.510 0.616 1.00 0.00 C ATOM 524 CG ASP A 45 -9.706 9.029 1.393 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.958 7.806 1.403 1.00 0.00 O ATOM 526 OD2 ASP A 45 -10.402 9.876 1.993 1.00 0.00 O ATOM 0 H ASP A 45 -6.482 10.883 1.067 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.394 8.370 2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.442 10.597 0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.618 9.250 -0.436 1.00 0.00 H new ATOM 531 N GLU A 46 -5.848 8.437 -0.826 1.00 0.00 N ATOM 532 CA GLU A 46 -5.251 7.604 -1.864 1.00 0.00 C ATOM 533 C GLU A 46 -4.178 6.686 -1.290 1.00 0.00 C ATOM 534 O GLU A 46 -4.052 5.531 -1.696 1.00 0.00 O ATOM 535 CB GLU A 46 -4.659 8.476 -2.973 1.00 0.00 C ATOM 536 CG GLU A 46 -5.104 8.072 -4.369 1.00 0.00 C ATOM 537 CD GLU A 46 -3.969 7.512 -5.205 1.00 0.00 C ATOM 538 OE1 GLU A 46 -2.963 7.066 -4.616 1.00 0.00 O ATOM 539 OE2 GLU A 46 -4.090 7.520 -6.448 1.00 0.00 O ATOM 0 H GLU A 46 -5.619 9.428 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.040 6.980 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.941 9.514 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.571 8.428 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.896 7.327 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.530 8.938 -4.875 1.00 0.00 H new ATOM 546 N LYS A 47 -3.407 7.199 -0.340 1.00 0.00 N ATOM 547 CA LYS A 47 -2.356 6.409 0.284 1.00 0.00 C ATOM 548 C LYS A 47 -2.962 5.293 1.123 1.00 0.00 C ATOM 549 O LYS A 47 -2.439 4.178 1.168 1.00 0.00 O ATOM 550 CB LYS A 47 -1.454 7.292 1.150 1.00 0.00 C ATOM 551 CG LYS A 47 -2.199 8.034 2.245 1.00 0.00 C ATOM 552 CD LYS A 47 -1.242 8.639 3.258 1.00 0.00 C ATOM 553 CE LYS A 47 -0.899 7.647 4.360 1.00 0.00 C ATOM 554 NZ LYS A 47 -1.924 7.642 5.441 1.00 0.00 N ATOM 0 H LYS A 47 -3.489 8.152 0.013 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.748 5.966 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.681 6.672 1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.948 8.016 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.808 8.822 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.881 7.350 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.329 8.955 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.690 9.531 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.815 6.647 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.074 7.897 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.654 6.954 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.987 8.590 5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.848 7.379 5.042 1.00 0.00 H new ATOM 568 N PHE A 48 -4.074 5.599 1.783 1.00 0.00 N ATOM 569 CA PHE A 48 -4.759 4.621 2.618 1.00 0.00 C ATOM 570 C PHE A 48 -5.254 3.450 1.782 1.00 0.00 C ATOM 571 O PHE A 48 -5.062 2.291 2.148 1.00 0.00 O ATOM 572 CB PHE A 48 -5.931 5.275 3.353 1.00 0.00 C ATOM 573 CG PHE A 48 -5.572 5.799 4.714 1.00 0.00 C ATOM 574 CD1 PHE A 48 -4.951 4.981 5.644 1.00 0.00 C ATOM 575 CD2 PHE A 48 -5.853 7.111 5.062 1.00 0.00 C ATOM 576 CE1 PHE A 48 -4.619 5.460 6.897 1.00 0.00 C ATOM 577 CE2 PHE A 48 -5.524 7.595 6.313 1.00 0.00 C ATOM 578 CZ PHE A 48 -4.905 6.770 7.231 1.00 0.00 C ATOM 0 H PHE A 48 -4.519 6.516 1.755 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.048 4.244 3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.316 6.095 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.737 4.548 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.724 3.957 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.334 7.762 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.137 4.812 7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.751 8.618 6.573 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.645 7.148 8.209 1.00 0.00 H new ATOM 588 N LEU A 49 -5.881 3.758 0.654 1.00 0.00 N ATOM 589 CA LEU A 49 -6.387 2.720 -0.234 1.00 0.00 C ATOM 590 C LEU A 49 -5.229 2.013 -0.925 1.00 0.00 C ATOM 591 O LEU A 49 -5.289 0.813 -1.196 1.00 0.00 O ATOM 592 CB LEU A 49 -7.351 3.307 -1.272 1.00 0.00 C ATOM 593 CG LEU A 49 -6.828 4.515 -2.052 1.00 0.00 C ATOM 594 CD1 LEU A 49 -6.072 4.067 -3.292 1.00 0.00 C ATOM 595 CD2 LEU A 49 -7.976 5.438 -2.432 1.00 0.00 C ATOM 0 H LEU A 49 -6.050 4.712 0.334 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.938 1.995 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.612 2.523 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.271 3.596 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.138 5.065 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.709 4.941 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.227 3.445 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.738 3.493 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.588 6.292 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.688 4.896 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.476 5.788 -1.529 1.00 0.00 H new ATOM 607 N ARG A 50 -4.168 2.766 -1.195 1.00 0.00 N ATOM 608 CA ARG A 50 -2.984 2.216 -1.842 1.00 0.00 C ATOM 609 C ARG A 50 -2.278 1.227 -0.920 1.00 0.00 C ATOM 610 O ARG A 50 -1.729 0.223 -1.374 1.00 0.00 O ATOM 611 CB ARG A 50 -2.021 3.341 -2.232 1.00 0.00 C ATOM 612 CG ARG A 50 -2.442 4.098 -3.481 1.00 0.00 C ATOM 613 CD ARG A 50 -1.717 3.584 -4.714 1.00 0.00 C ATOM 614 NE ARG A 50 -0.282 3.854 -4.659 1.00 0.00 N ATOM 615 CZ ARG A 50 0.621 3.223 -5.406 1.00 0.00 C ATOM 616 NH1 ARG A 50 0.242 2.286 -6.265 1.00 0.00 N ATOM 617 NH2 ARG A 50 1.905 3.531 -5.292 1.00 0.00 N ATOM 0 H ARG A 50 -4.105 3.760 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.301 1.690 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.941 4.043 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.028 2.919 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.518 3.999 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.234 5.160 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.880 2.511 -4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.140 4.051 -5.604 1.00 0.00 H new ATOM 0 HE ARG A 50 0.047 4.568 -4.010 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.745 2.046 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.938 1.805 -6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.200 4.251 -4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.598 3.048 -5.864 1.00 0.00 H new ATOM 631 N GLU A 51 -2.298 1.518 0.377 1.00 0.00 N ATOM 632 CA GLU A 51 -1.662 0.655 1.366 1.00 0.00 C ATOM 633 C GLU A 51 -2.468 -0.625 1.570 1.00 0.00 C ATOM 634 O GLU A 51 -1.905 -1.692 1.815 1.00 0.00 O ATOM 635 CB GLU A 51 -1.505 1.395 2.696 1.00 0.00 C ATOM 636 CG GLU A 51 -0.091 1.886 2.956 1.00 0.00 C ATOM 637 CD GLU A 51 0.413 1.512 4.336 1.00 0.00 C ATOM 638 OE1 GLU A 51 0.183 0.360 4.759 1.00 0.00 O ATOM 639 OE2 GLU A 51 1.039 2.370 4.993 1.00 0.00 O ATOM 0 H GLU A 51 -2.748 2.346 0.768 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.674 0.384 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.185 2.247 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.806 0.733 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.578 1.469 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.061 2.970 2.844 1.00 0.00 H new ATOM 646 N SER A 52 -3.788 -0.509 1.468 1.00 0.00 N ATOM 647 CA SER A 52 -4.671 -1.655 1.642 1.00 0.00 C ATOM 648 C SER A 52 -5.060 -2.251 0.293 1.00 0.00 C ATOM 649 O SER A 52 -6.196 -2.687 0.100 1.00 0.00 O ATOM 650 CB SER A 52 -5.927 -1.242 2.412 1.00 0.00 C ATOM 651 OG SER A 52 -5.598 -0.460 3.546 1.00 0.00 O ATOM 0 H SER A 52 -4.269 0.367 1.266 1.00 0.00 H new ATOM 0 HA SER A 52 -4.135 -2.414 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.589 -0.676 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.473 -2.131 2.726 1.00 0.00 H new ATOM 0 HG SER A 52 -5.396 0.457 3.264 1.00 0.00 H new ATOM 657 N ALA A 53 -4.111 -2.270 -0.637 1.00 0.00 N ATOM 658 CA ALA A 53 -4.355 -2.814 -1.968 1.00 0.00 C ATOM 659 C ALA A 53 -3.581 -4.108 -2.182 1.00 0.00 C ATOM 660 O ALA A 53 -2.359 -4.144 -2.042 1.00 0.00 O ATOM 661 CB ALA A 53 -3.983 -1.792 -3.031 1.00 0.00 C ATOM 0 H ALA A 53 -3.166 -1.915 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.418 -3.040 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.170 -2.211 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.585 -0.893 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.927 -1.538 -2.938 1.00 0.00 H new ATOM 667 N CYS A 54 -4.301 -5.174 -2.523 1.00 0.00 N ATOM 668 CA CYS A 54 -3.680 -6.473 -2.758 1.00 0.00 C ATOM 669 C CYS A 54 -2.912 -6.477 -4.076 1.00 0.00 C ATOM 670 O CYS A 54 -3.355 -7.064 -5.063 1.00 0.00 O ATOM 671 CB CYS A 54 -4.741 -7.574 -2.767 1.00 0.00 C ATOM 672 SG CYS A 54 -6.083 -7.306 -3.970 1.00 0.00 S ATOM 0 H CYS A 54 -5.314 -5.163 -2.642 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.976 -6.665 -1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.258 -8.527 -2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.173 -7.655 -1.770 1.00 0.00 H new ATOM 677 N GLY A 55 -1.758 -5.818 -4.084 1.00 0.00 N ATOM 678 CA GLY A 55 -0.946 -5.759 -5.285 1.00 0.00 C ATOM 679 C GLY A 55 -0.296 -4.404 -5.480 1.00 0.00 C ATOM 680 O GLY A 55 -0.452 -3.509 -4.649 1.00 0.00 O ATOM 0 H GLY A 55 -1.371 -5.324 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.173 -6.526 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.567 -5.989 -6.151 1.00 0.00 H new ATOM 684 N PHE A 56 0.435 -4.252 -6.579 1.00 0.00 N ATOM 685 CA PHE A 56 1.111 -2.996 -6.881 1.00 0.00 C ATOM 686 C PHE A 56 0.978 -2.648 -8.359 1.00 0.00 C ATOM 687 O PHE A 56 1.965 -2.628 -9.096 1.00 0.00 O ATOM 688 CB PHE A 56 2.589 -3.083 -6.491 1.00 0.00 C ATOM 689 CG PHE A 56 2.811 -3.466 -5.056 1.00 0.00 C ATOM 690 CD1 PHE A 56 2.686 -4.786 -4.651 1.00 0.00 C ATOM 691 CD2 PHE A 56 3.143 -2.508 -4.112 1.00 0.00 C ATOM 692 CE1 PHE A 56 2.889 -5.142 -3.332 1.00 0.00 C ATOM 693 CE2 PHE A 56 3.347 -2.859 -2.791 1.00 0.00 C ATOM 694 CZ PHE A 56 3.220 -4.176 -2.400 1.00 0.00 C ATOM 0 H PHE A 56 0.574 -4.984 -7.276 1.00 0.00 H new ATOM 0 HA PHE A 56 0.636 -2.206 -6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.083 -3.812 -7.133 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.063 -2.120 -6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.427 -5.544 -5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.244 -1.475 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.789 -6.174 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.606 -2.103 -2.065 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.379 -4.452 -1.368 1.00 0.00 H new ATOM 704 N ASP A 57 -0.248 -2.371 -8.789 1.00 0.00 N ATOM 705 CA ASP A 57 -0.511 -2.023 -10.180 1.00 0.00 C ATOM 706 C ASP A 57 -0.829 -0.537 -10.318 1.00 0.00 C ATOM 707 O ASP A 57 -1.267 0.106 -9.363 1.00 0.00 O ATOM 708 CB ASP A 57 -1.669 -2.861 -10.727 1.00 0.00 C ATOM 709 CG ASP A 57 -1.288 -3.631 -11.977 1.00 0.00 C ATOM 710 OD1 ASP A 57 -0.754 -3.006 -12.918 1.00 0.00 O ATOM 711 OD2 ASP A 57 -1.524 -4.856 -12.016 1.00 0.00 O ATOM 0 H ASP A 57 -1.076 -2.381 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 57 0.387 -2.238 -10.759 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.001 -3.561 -9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.513 -2.208 -10.949 1.00 0.00 H new ATOM 716 N GLY A 58 -0.606 0.002 -11.513 1.00 0.00 N ATOM 717 CA GLY A 58 -0.875 1.409 -11.753 1.00 0.00 C ATOM 718 C GLY A 58 -2.133 1.628 -12.567 1.00 0.00 C ATOM 719 O GLY A 58 -2.958 2.478 -12.231 1.00 0.00 O ATOM 0 H GLY A 58 -0.244 -0.509 -12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.970 1.926 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.027 1.854 -12.274 1.00 0.00 H new ATOM 723 N GLN A 59 -2.282 0.860 -13.642 1.00 0.00 N ATOM 724 CA GLN A 59 -3.450 0.974 -14.508 1.00 0.00 C ATOM 725 C GLN A 59 -4.642 0.223 -13.921 1.00 0.00 C ATOM 726 O GLN A 59 -5.793 0.583 -14.160 1.00 0.00 O ATOM 727 CB GLN A 59 -3.128 0.438 -15.904 1.00 0.00 C ATOM 728 CG GLN A 59 -2.827 1.529 -16.920 1.00 0.00 C ATOM 729 CD GLN A 59 -3.948 2.545 -17.034 1.00 0.00 C ATOM 730 OE1 GLN A 59 -5.127 2.193 -16.993 1.00 0.00 O ATOM 731 NE2 GLN A 59 -3.584 3.814 -17.176 1.00 0.00 N ATOM 0 H GLN A 59 -1.608 0.152 -13.934 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.714 2.029 -14.583 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.271 -0.232 -15.838 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.970 -0.156 -16.259 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.906 2.039 -16.638 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.653 1.074 -17.895 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.595 4.061 -17.205 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.294 4.542 -17.256 1.00 0.00 H new ATOM 740 N THR A 60 -4.356 -0.825 -13.154 1.00 0.00 N ATOM 741 CA THR A 60 -5.405 -1.628 -12.535 1.00 0.00 C ATOM 742 C THR A 60 -5.505 -1.335 -11.040 1.00 0.00 C ATOM 743 O THR A 60 -4.899 -2.028 -10.222 1.00 0.00 O ATOM 744 CB THR A 60 -5.137 -3.116 -12.759 1.00 0.00 C ATOM 745 OG1 THR A 60 -4.345 -3.314 -13.917 1.00 0.00 O ATOM 746 CG2 THR A 60 -6.400 -3.934 -12.920 1.00 0.00 C ATOM 0 H THR A 60 -3.408 -1.138 -12.947 1.00 0.00 H new ATOM 0 HA THR A 60 -6.354 -1.363 -13.002 1.00 0.00 H new ATOM 0 HB THR A 60 -4.617 -3.454 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.183 -4.272 -14.042 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.138 -4.981 -13.076 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.010 -3.842 -12.021 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.963 -3.569 -13.779 1.00 0.00 H new ATOM 754 N PRO A 61 -6.278 -0.302 -10.660 1.00 0.00 N ATOM 755 CA PRO A 61 -6.455 0.076 -9.255 1.00 0.00 C ATOM 756 C PRO A 61 -7.260 -0.957 -8.477 1.00 0.00 C ATOM 757 O PRO A 61 -8.305 -1.420 -8.937 1.00 0.00 O ATOM 758 CB PRO A 61 -7.219 1.400 -9.336 1.00 0.00 C ATOM 759 CG PRO A 61 -7.933 1.347 -10.642 1.00 0.00 C ATOM 760 CD PRO A 61 -7.037 0.575 -11.570 1.00 0.00 C ATOM 0 HA PRO A 61 -5.503 0.151 -8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.918 1.505 -8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.541 2.252 -9.290 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.902 0.858 -10.538 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.121 2.350 -11.025 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.611 -0.000 -12.297 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.378 1.235 -12.134 1.00 0.00 H new ATOM 768 N LYS A 62 -6.769 -1.318 -7.296 1.00 0.00 N ATOM 769 CA LYS A 62 -7.446 -2.298 -6.455 1.00 0.00 C ATOM 770 C LYS A 62 -7.433 -1.865 -4.992 1.00 0.00 C ATOM 771 O LYS A 62 -6.596 -1.064 -4.578 1.00 0.00 O ATOM 772 CB LYS A 62 -6.780 -3.668 -6.597 1.00 0.00 C ATOM 773 CG LYS A 62 -7.144 -4.391 -7.883 1.00 0.00 C ATOM 774 CD LYS A 62 -6.512 -5.773 -7.943 1.00 0.00 C ATOM 775 CE LYS A 62 -7.453 -6.787 -8.574 1.00 0.00 C ATOM 776 NZ LYS A 62 -7.237 -6.907 -10.042 1.00 0.00 N ATOM 0 H LYS A 62 -5.905 -0.947 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.483 -2.367 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.698 -3.543 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.063 -4.290 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.228 -4.482 -7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.815 -3.802 -8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.587 -5.727 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.247 -6.097 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.306 -7.760 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.485 -6.493 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.898 -7.608 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.402 -5.985 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.260 -7.212 -10.225 1.00 0.00 H new ATOM 790 N VAL A 63 -8.368 -2.402 -4.215 1.00 0.00 N ATOM 791 CA VAL A 63 -8.467 -2.075 -2.798 1.00 0.00 C ATOM 792 C VAL A 63 -8.900 -3.290 -1.985 1.00 0.00 C ATOM 793 O VAL A 63 -9.516 -4.215 -2.515 1.00 0.00 O ATOM 794 CB VAL A 63 -9.463 -0.926 -2.554 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.408 -0.469 -1.104 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.182 0.234 -3.497 1.00 0.00 C ATOM 0 H VAL A 63 -9.069 -3.066 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.475 -1.759 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.469 -1.293 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.119 0.343 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.664 -1.303 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.402 -0.120 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.896 1.036 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.170 0.602 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.279 -0.104 -4.529 1.00 0.00 H new ATOM 806 N CYS A 64 -8.573 -3.282 -0.698 1.00 0.00 N ATOM 807 CA CYS A 64 -8.928 -4.386 0.187 1.00 0.00 C ATOM 808 C CYS A 64 -10.085 -4.001 1.102 1.00 0.00 C ATOM 809 O CYS A 64 -10.012 -3.013 1.833 1.00 0.00 O ATOM 810 CB CYS A 64 -7.716 -4.809 1.022 1.00 0.00 C ATOM 811 SG CYS A 64 -7.862 -6.465 1.772 1.00 0.00 S ATOM 0 H CYS A 64 -8.063 -2.524 -0.244 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.244 -5.227 -0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.828 -4.786 0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.562 -4.076 1.814 1.00 0.00 H new ATOM 816 N CYS A 65 -11.153 -4.790 1.056 1.00 0.00 N ATOM 817 CA CYS A 65 -12.330 -4.540 1.878 1.00 0.00 C ATOM 818 C CYS A 65 -12.591 -5.716 2.819 1.00 0.00 C ATOM 819 O CYS A 65 -12.755 -6.850 2.371 1.00 0.00 O ATOM 820 CB CYS A 65 -13.554 -4.308 0.990 1.00 0.00 C ATOM 821 SG CYS A 65 -13.820 -2.568 0.520 1.00 0.00 S ATOM 0 H CYS A 65 -11.227 -5.611 0.455 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.146 -3.648 2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.449 -4.905 0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.440 -4.671 1.511 1.00 0.00 H new ATOM 826 N PRO A 66 -12.636 -5.465 4.141 1.00 0.00 N ATOM 827 CA PRO A 66 -12.882 -6.518 5.132 1.00 0.00 C ATOM 828 C PRO A 66 -14.301 -7.067 5.047 1.00 0.00 C ATOM 829 O PRO A 66 -15.023 -6.803 4.085 1.00 0.00 O ATOM 830 CB PRO A 66 -12.660 -5.810 6.471 1.00 0.00 C ATOM 831 CG PRO A 66 -12.912 -4.370 6.185 1.00 0.00 C ATOM 832 CD PRO A 66 -12.455 -4.144 4.772 1.00 0.00 C ATOM 0 HA PRO A 66 -12.232 -7.380 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.340 -6.187 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.647 -5.969 6.840 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.969 -4.129 6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.365 -3.732 6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.048 -3.376 4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.415 -3.819 4.733 1.00 0.00 H new