USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=9 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 25 SER OG : rot 180:sc= 0.0188 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.024) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 17 ASN : amide:sc= -0.105 K(o=-0.11,f=-2.1!) USER MOD Single : A 18 ASN : amide:sc= -0.53 K(o=-0.53,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+ -162:sc= -0.0922 (180deg=-0.895) USER MOD Single : A 28 GLN : amide:sc= -0.0905 X(o=-0.09,f=-0.0051) 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= -0.274 USER MOD Single : A 44 GLN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.372 -11.395 -5.168 1.00 0.00 N ATOM 2 CA GLN A 11 -10.332 -12.216 -4.495 1.00 0.00 C ATOM 3 C GLN A 11 -10.237 -11.879 -3.012 1.00 0.00 C ATOM 4 O GLN A 11 -10.519 -10.754 -2.601 1.00 0.00 O ATOM 5 CB GLN A 11 -8.988 -11.955 -5.182 1.00 0.00 C ATOM 6 CG GLN A 11 -7.884 -12.900 -4.736 1.00 0.00 C ATOM 7 CD GLN A 11 -7.849 -14.181 -5.546 1.00 0.00 C ATOM 8 OE1 GLN A 11 -7.908 -15.279 -4.995 1.00 0.00 O ATOM 9 NE2 GLN A 11 -7.752 -14.045 -6.864 1.00 0.00 N ATOM 0 HA GLN A 11 -10.600 -13.270 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.117 -12.044 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.680 -10.929 -4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.922 -12.395 -4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.024 -13.144 -3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.706 -13.114 -7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.724 -14.871 -7.461 1.00 0.00 H new ATOM 18 N ALA A 12 -9.839 -12.863 -2.211 1.00 0.00 N ATOM 19 CA ALA A 12 -9.706 -12.668 -0.773 1.00 0.00 C ATOM 20 C ALA A 12 -8.313 -12.163 -0.414 1.00 0.00 C ATOM 21 O ALA A 12 -7.313 -12.834 -0.671 1.00 0.00 O ATOM 22 CB ALA A 12 -10.005 -13.966 -0.036 1.00 0.00 C ATOM 0 H ALA A 12 -9.604 -13.802 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.428 -11.912 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.902 -13.807 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.023 -14.285 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.304 -14.737 -0.357 1.00 0.00 H new ATOM 28 N CYS A 13 -8.252 -10.973 0.177 1.00 0.00 N ATOM 29 CA CYS A 13 -6.979 -10.377 0.567 1.00 0.00 C ATOM 30 C CYS A 13 -6.866 -10.260 2.082 1.00 0.00 C ATOM 31 O CYS A 13 -7.853 -10.405 2.804 1.00 0.00 O ATOM 32 CB CYS A 13 -6.822 -8.994 -0.073 1.00 0.00 C ATOM 33 SG CYS A 13 -7.878 -7.704 0.668 1.00 0.00 S ATOM 0 H CYS A 13 -9.069 -10.403 0.396 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.182 -11.031 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.780 -8.685 0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.051 -9.070 -1.136 1.00 0.00 H new ATOM 38 N THR A 14 -5.657 -9.981 2.557 1.00 0.00 N ATOM 39 CA THR A 14 -5.412 -9.826 3.984 1.00 0.00 C ATOM 40 C THR A 14 -5.064 -8.378 4.309 1.00 0.00 C ATOM 41 O THR A 14 -4.041 -7.860 3.860 1.00 0.00 O ATOM 42 CB THR A 14 -4.280 -10.752 4.436 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.001 -10.567 5.812 1.00 0.00 O ATOM 44 CG2 THR A 14 -2.989 -10.537 3.673 1.00 0.00 C ATOM 0 H THR A 14 -4.830 -9.858 1.972 1.00 0.00 H new ATOM 0 HA THR A 14 -6.321 -10.097 4.520 1.00 0.00 H new ATOM 0 HB THR A 14 -4.637 -11.763 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.276 -11.168 6.083 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.229 -11.225 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.159 -10.720 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.649 -9.511 3.814 1.00 0.00 H new ATOM 52 N LEU A 15 -5.921 -7.730 5.087 1.00 0.00 N ATOM 53 CA LEU A 15 -5.706 -6.338 5.466 1.00 0.00 C ATOM 54 C LEU A 15 -4.520 -6.213 6.420 1.00 0.00 C ATOM 55 O LEU A 15 -4.108 -7.190 7.042 1.00 0.00 O ATOM 56 CB LEU A 15 -6.964 -5.764 6.121 1.00 0.00 C ATOM 57 CG LEU A 15 -7.639 -6.682 7.146 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.043 -5.896 8.385 1.00 0.00 C ATOM 59 CD2 LEU A 15 -8.850 -7.370 6.532 1.00 0.00 C ATOM 0 H LEU A 15 -6.771 -8.145 5.468 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.486 -5.771 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.704 -4.826 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.685 -5.525 5.339 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.923 -7.448 7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.520 -6.565 9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.157 -5.452 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.741 -5.107 8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.316 -8.018 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.568 -6.618 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.534 -7.967 5.677 1.00 0.00 H new ATOM 71 N PRO A 16 -3.952 -5.001 6.546 1.00 0.00 N ATOM 72 CA PRO A 16 -2.809 -4.755 7.431 1.00 0.00 C ATOM 73 C PRO A 16 -3.018 -5.334 8.828 1.00 0.00 C ATOM 74 O PRO A 16 -2.059 -5.668 9.523 1.00 0.00 O ATOM 75 CB PRO A 16 -2.734 -3.229 7.490 1.00 0.00 C ATOM 76 CG PRO A 16 -3.315 -2.773 6.197 1.00 0.00 C ATOM 77 CD PRO A 16 -4.377 -3.779 5.835 1.00 0.00 C ATOM 0 HA PRO A 16 -1.899 -5.228 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.297 -2.837 8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.705 -2.887 7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.741 -1.774 6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.549 -2.720 5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.366 -3.452 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.428 -3.939 4.758 1.00 0.00 H new ATOM 85 N ASN A 17 -4.280 -5.450 9.232 1.00 0.00 N ATOM 86 CA ASN A 17 -4.616 -5.990 10.546 1.00 0.00 C ATOM 87 C ASN A 17 -4.595 -7.518 10.537 1.00 0.00 C ATOM 88 O ASN A 17 -4.525 -8.151 11.591 1.00 0.00 O ATOM 89 CB ASN A 17 -5.994 -5.492 10.987 1.00 0.00 C ATOM 90 CG ASN A 17 -6.097 -5.324 12.490 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.127 -5.543 13.217 1.00 0.00 O ATOM 92 ND2 ASN A 17 -7.273 -4.934 12.964 1.00 0.00 N ATOM 0 H ASN A 17 -5.086 -5.178 8.669 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.864 -5.641 11.254 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.204 -4.538 10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.756 -6.195 10.650 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.401 -4.804 13.968 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.049 -4.764 12.325 1.00 0.00 H new ATOM 99 N ASN A 18 -4.654 -8.103 9.345 1.00 0.00 N ATOM 100 CA ASN A 18 -4.639 -9.556 9.195 1.00 0.00 C ATOM 101 C ASN A 18 -5.876 -10.182 9.831 1.00 0.00 C ATOM 102 O ASN A 18 -5.833 -10.653 10.967 1.00 0.00 O ATOM 103 CB ASN A 18 -3.373 -10.147 9.821 1.00 0.00 C ATOM 104 CG ASN A 18 -2.119 -9.747 9.070 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.520 -10.558 8.361 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.711 -8.493 9.221 1.00 0.00 N ATOM 0 H ASN A 18 -4.713 -7.591 8.465 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.646 -9.784 8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.294 -9.817 10.857 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.452 -11.234 9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.872 -8.168 8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.237 -7.854 9.818 1.00 0.00 H new ATOM 113 N ASP A 19 -6.977 -10.188 9.086 1.00 0.00 N ATOM 114 CA ASP A 19 -8.227 -10.759 9.570 1.00 0.00 C ATOM 115 C ASP A 19 -9.071 -11.291 8.415 1.00 0.00 C ATOM 116 O ASP A 19 -10.289 -11.416 8.531 1.00 0.00 O ATOM 117 CB ASP A 19 -9.019 -9.714 10.359 1.00 0.00 C ATOM 118 CG ASP A 19 -9.643 -10.290 11.615 1.00 0.00 C ATOM 119 OD1 ASP A 19 -8.955 -11.055 12.322 1.00 0.00 O ATOM 120 OD2 ASP A 19 -10.819 -9.975 11.891 1.00 0.00 O ATOM 0 H ASP A 19 -7.028 -9.803 8.143 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.983 -11.593 10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.359 -8.890 10.629 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.802 -9.300 9.724 1.00 0.00 H new ATOM 125 N LYS A 20 -8.414 -11.606 7.301 1.00 0.00 N ATOM 126 CA LYS A 20 -9.101 -12.127 6.125 1.00 0.00 C ATOM 127 C LYS A 20 -10.092 -11.109 5.572 1.00 0.00 C ATOM 128 O LYS A 20 -10.880 -10.523 6.316 1.00 0.00 O ATOM 129 CB LYS A 20 -9.828 -13.430 6.468 1.00 0.00 C ATOM 130 CG LYS A 20 -8.973 -14.415 7.248 1.00 0.00 C ATOM 131 CD LYS A 20 -9.826 -15.359 8.079 1.00 0.00 C ATOM 132 CE LYS A 20 -9.011 -16.028 9.174 1.00 0.00 C ATOM 133 NZ LYS A 20 -8.397 -17.302 8.709 1.00 0.00 N ATOM 0 H LYS A 20 -7.405 -11.509 7.190 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.351 -12.326 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.720 -13.197 7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.163 -13.903 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.359 -14.992 6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.292 -13.869 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.653 -14.806 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.263 -16.120 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.227 -15.349 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.651 -16.226 10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.850 -17.727 9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.146 -17.960 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.766 -17.110 7.905 1.00 0.00 H new ATOM 147 N GLY A 21 -10.048 -10.902 4.260 1.00 0.00 N ATOM 148 CA GLY A 21 -10.946 -9.955 3.627 1.00 0.00 C ATOM 149 C GLY A 21 -11.027 -10.144 2.124 1.00 0.00 C ATOM 150 O GLY A 21 -10.447 -11.082 1.576 1.00 0.00 O ATOM 0 H GLY A 21 -9.406 -11.374 3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.942 -10.061 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.611 -8.941 3.845 1.00 0.00 H new ATOM 154 N THR A 22 -11.749 -9.248 1.458 1.00 0.00 N ATOM 155 CA THR A 22 -11.912 -9.311 0.009 1.00 0.00 C ATOM 156 C THR A 22 -11.339 -8.061 -0.649 1.00 0.00 C ATOM 157 O THR A 22 -11.398 -6.974 -0.078 1.00 0.00 O ATOM 158 CB THR A 22 -13.391 -9.457 -0.351 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.017 -10.419 0.480 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.620 -9.870 -1.788 1.00 0.00 C ATOM 0 H THR A 22 -12.232 -8.467 1.901 1.00 0.00 H new ATOM 0 HA THR A 22 -11.369 -10.181 -0.360 1.00 0.00 H new ATOM 0 HB THR A 22 -13.823 -8.467 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.963 -10.497 0.235 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.690 -9.955 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.193 -9.121 -2.454 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.142 -10.832 -1.971 1.00 0.00 H new ATOM 168 N CYS A 23 -10.785 -8.212 -1.847 1.00 0.00 N ATOM 169 CA CYS A 23 -10.208 -7.077 -2.560 1.00 0.00 C ATOM 170 C CYS A 23 -10.920 -6.835 -3.888 1.00 0.00 C ATOM 171 O CYS A 23 -11.051 -7.739 -4.712 1.00 0.00 O ATOM 172 CB CYS A 23 -8.705 -7.289 -2.788 1.00 0.00 C ATOM 173 SG CYS A 23 -8.282 -8.383 -4.185 1.00 0.00 S ATOM 0 H CYS A 23 -10.723 -9.102 -2.342 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.345 -6.191 -1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.238 -6.318 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.270 -7.702 -1.878 1.00 0.00 H new ATOM 178 N LYS A 24 -11.381 -5.604 -4.081 1.00 0.00 N ATOM 179 CA LYS A 24 -12.081 -5.230 -5.305 1.00 0.00 C ATOM 180 C LYS A 24 -11.758 -3.791 -5.690 1.00 0.00 C ATOM 181 O LYS A 24 -11.166 -3.046 -4.907 1.00 0.00 O ATOM 182 CB LYS A 24 -13.592 -5.397 -5.125 1.00 0.00 C ATOM 183 CG LYS A 24 -14.135 -4.717 -3.879 1.00 0.00 C ATOM 184 CD LYS A 24 -15.579 -5.111 -3.616 1.00 0.00 C ATOM 185 CE LYS A 24 -15.674 -6.233 -2.595 1.00 0.00 C ATOM 186 NZ LYS A 24 -15.463 -7.569 -3.217 1.00 0.00 N ATOM 0 H LYS A 24 -11.282 -4.847 -3.405 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.745 -5.888 -6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.101 -4.993 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.829 -6.460 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.521 -4.985 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.067 -3.635 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.134 -4.244 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.047 -5.426 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.932 -6.076 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.653 -6.206 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.827 -8.309 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.967 -7.613 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.447 -7.721 -3.378 1.00 0.00 H new ATOM 200 N SER A 25 -12.153 -3.399 -6.898 1.00 0.00 N ATOM 201 CA SER A 25 -11.905 -2.046 -7.383 1.00 0.00 C ATOM 202 C SER A 25 -12.471 -1.011 -6.415 1.00 0.00 C ATOM 203 O SER A 25 -12.979 -1.356 -5.349 1.00 0.00 O ATOM 204 CB SER A 25 -12.520 -1.858 -8.770 1.00 0.00 C ATOM 205 OG SER A 25 -12.296 -2.992 -9.586 1.00 0.00 O ATOM 0 H SER A 25 -12.646 -4.000 -7.559 1.00 0.00 H new ATOM 0 HA SER A 25 -10.827 -1.901 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.591 -1.681 -8.675 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.092 -0.975 -9.244 1.00 0.00 H new ATOM 0 HG SER A 25 -12.701 -2.846 -10.467 1.00 0.00 H new ATOM 211 N LEU A 26 -12.382 0.260 -6.794 1.00 0.00 N ATOM 212 CA LEU A 26 -12.888 1.343 -5.956 1.00 0.00 C ATOM 213 C LEU A 26 -14.283 1.770 -6.400 1.00 0.00 C ATOM 214 O LEU A 26 -14.658 2.936 -6.273 1.00 0.00 O ATOM 215 CB LEU A 26 -11.936 2.541 -6.001 1.00 0.00 C ATOM 216 CG LEU A 26 -11.737 3.161 -7.386 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.696 4.326 -7.597 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.295 3.616 -7.564 1.00 0.00 C ATOM 0 H LEU A 26 -11.965 0.565 -7.674 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.949 0.976 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.313 3.310 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.965 2.228 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.954 2.401 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.538 4.753 -8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.723 3.971 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.514 5.089 -6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.171 4.054 -8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.052 4.360 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.628 2.760 -7.460 1.00 0.00 H new ATOM 230 N LEU A 27 -15.051 0.814 -6.920 1.00 0.00 N ATOM 231 CA LEU A 27 -16.406 1.086 -7.381 1.00 0.00 C ATOM 232 C LEU A 27 -17.309 -0.122 -7.145 1.00 0.00 C ATOM 233 O LEU A 27 -18.275 -0.337 -7.877 1.00 0.00 O ATOM 234 CB LEU A 27 -16.401 1.449 -8.866 1.00 0.00 C ATOM 235 CG LEU A 27 -15.468 2.598 -9.249 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.273 2.647 -10.756 1.00 0.00 C ATOM 237 CD2 LEU A 27 -16.017 3.922 -8.738 1.00 0.00 C ATOM 0 H LEU A 27 -14.755 -0.156 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.795 1.930 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.119 0.566 -9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.416 1.711 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.498 2.424 -8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.606 3.471 -11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.836 1.708 -11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.237 2.797 -11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.341 4.729 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.999 4.102 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.105 3.884 -7.652 1.00 0.00 H new ATOM 249 N GLN A 28 -16.987 -0.906 -6.122 1.00 0.00 N ATOM 250 CA GLN A 28 -17.769 -2.093 -5.792 1.00 0.00 C ATOM 251 C GLN A 28 -18.225 -2.059 -4.338 1.00 0.00 C ATOM 252 O GLN A 28 -19.408 -2.236 -4.044 1.00 0.00 O ATOM 253 CB GLN A 28 -16.948 -3.358 -6.052 1.00 0.00 C ATOM 254 CG GLN A 28 -16.421 -3.458 -7.476 1.00 0.00 C ATOM 255 CD GLN A 28 -17.030 -4.616 -8.243 1.00 0.00 C ATOM 256 OE1 GLN A 28 -16.322 -5.389 -8.889 1.00 0.00 O ATOM 257 NE2 GLN A 28 -18.350 -4.743 -8.174 1.00 0.00 N ATOM 0 H GLN A 28 -16.190 -0.741 -5.507 1.00 0.00 H new ATOM 0 HA GLN A 28 -18.653 -2.103 -6.430 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.107 -3.384 -5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.564 -4.232 -5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.631 -2.527 -8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.337 -3.573 -7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.898 -4.079 -7.627 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.816 -5.504 -8.668 1.00 0.00 H new ATOM 266 N CYS A 29 -17.281 -1.832 -3.430 1.00 0.00 N ATOM 267 CA CYS A 29 -17.590 -1.777 -2.005 1.00 0.00 C ATOM 268 C CYS A 29 -18.496 -0.590 -1.691 1.00 0.00 C ATOM 269 O CYS A 29 -18.130 0.561 -1.927 1.00 0.00 O ATOM 270 CB CYS A 29 -16.302 -1.686 -1.184 1.00 0.00 C ATOM 271 SG CYS A 29 -16.274 -2.775 0.277 1.00 0.00 S ATOM 0 H CYS A 29 -16.297 -1.683 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 29 -18.117 -2.693 -1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.456 -1.934 -1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.163 -0.655 -0.858 1.00 0.00 H new ATOM 276 N ASP A 30 -19.679 -0.880 -1.159 1.00 0.00 N ATOM 277 CA ASP A 30 -20.638 0.163 -0.815 1.00 0.00 C ATOM 278 C ASP A 30 -20.051 1.131 0.207 1.00 0.00 C ATOM 279 O ASP A 30 -20.282 2.337 0.140 1.00 0.00 O ATOM 280 CB ASP A 30 -21.923 -0.458 -0.264 1.00 0.00 C ATOM 281 CG ASP A 30 -22.927 -0.770 -1.357 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.968 -0.024 -2.357 1.00 0.00 O ATOM 283 OD2 ASP A 30 -23.674 -1.760 -1.210 1.00 0.00 O ATOM 0 H ASP A 30 -19.996 -1.828 -0.957 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.870 0.719 -1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.679 -1.374 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -22.374 0.225 0.456 1.00 0.00 H new ATOM 288 N VAL A 31 -19.287 0.592 1.152 1.00 0.00 N ATOM 289 CA VAL A 31 -18.668 1.409 2.188 1.00 0.00 C ATOM 290 C VAL A 31 -17.670 2.390 1.588 1.00 0.00 C ATOM 291 O VAL A 31 -17.645 3.564 1.949 1.00 0.00 O ATOM 292 CB VAL A 31 -17.949 0.539 3.237 1.00 0.00 C ATOM 293 CG1 VAL A 31 -18.950 -0.325 3.991 1.00 0.00 C ATOM 294 CG2 VAL A 31 -16.880 -0.321 2.578 1.00 0.00 C ATOM 0 H VAL A 31 -19.082 -0.405 1.221 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.470 1.962 2.676 1.00 0.00 H new ATOM 0 HB VAL A 31 -17.460 1.198 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.424 -0.933 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -19.673 0.314 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -19.470 -0.976 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.384 -0.928 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.343 -0.972 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.147 0.321 2.090 1.00 0.00 H new ATOM 304 N ALA A 32 -16.853 1.901 0.667 1.00 0.00 N ATOM 305 CA ALA A 32 -15.855 2.739 0.014 1.00 0.00 C ATOM 306 C ALA A 32 -16.515 3.895 -0.727 1.00 0.00 C ATOM 307 O ALA A 32 -15.985 5.005 -0.766 1.00 0.00 O ATOM 308 CB ALA A 32 -15.011 1.908 -0.941 1.00 0.00 C ATOM 0 H ALA A 32 -16.860 0.930 0.354 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.205 3.157 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.270 2.547 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.504 1.119 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.653 1.463 -1.701 1.00 0.00 H new ATOM 314 N SER A 33 -17.672 3.625 -1.319 1.00 0.00 N ATOM 315 CA SER A 33 -18.408 4.639 -2.068 1.00 0.00 C ATOM 316 C SER A 33 -18.912 5.753 -1.154 1.00 0.00 C ATOM 317 O SER A 33 -18.904 6.924 -1.532 1.00 0.00 O ATOM 318 CB SER A 33 -19.586 3.999 -2.806 1.00 0.00 C ATOM 319 OG SER A 33 -19.207 3.583 -4.107 1.00 0.00 O ATOM 0 H SER A 33 -18.123 2.710 -1.295 1.00 0.00 H new ATOM 0 HA SER A 33 -17.723 5.080 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.953 3.143 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.408 4.712 -2.874 1.00 0.00 H new ATOM 0 HG SER A 33 -19.976 3.176 -4.557 1.00 0.00 H new ATOM 325 N LYS A 34 -19.357 5.385 0.042 1.00 0.00 N ATOM 326 CA LYS A 34 -19.870 6.365 0.995 1.00 0.00 C ATOM 327 C LYS A 34 -18.752 7.269 1.509 1.00 0.00 C ATOM 328 O LYS A 34 -18.980 8.440 1.811 1.00 0.00 O ATOM 329 CB LYS A 34 -20.579 5.667 2.162 1.00 0.00 C ATOM 330 CG LYS A 34 -19.645 4.951 3.126 1.00 0.00 C ATOM 331 CD LYS A 34 -20.015 5.229 4.575 1.00 0.00 C ATOM 332 CE LYS A 34 -19.601 4.084 5.486 1.00 0.00 C ATOM 333 NZ LYS A 34 -20.749 3.197 5.818 1.00 0.00 N ATOM 0 H LYS A 34 -19.374 4.421 0.375 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.596 6.990 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -21.156 6.408 2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -21.290 4.945 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.682 3.878 2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.619 5.271 2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.533 6.150 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -21.091 5.387 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.819 3.500 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -19.176 4.487 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -20.426 2.429 6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -21.485 3.749 6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -21.139 2.792 4.943 1.00 0.00 H new ATOM 347 N ILE A 35 -17.544 6.721 1.606 1.00 0.00 N ATOM 348 CA ILE A 35 -16.398 7.486 2.082 1.00 0.00 C ATOM 349 C ILE A 35 -15.989 8.546 1.063 1.00 0.00 C ATOM 350 O ILE A 35 -15.592 9.652 1.428 1.00 0.00 O ATOM 351 CB ILE A 35 -15.191 6.571 2.380 1.00 0.00 C ATOM 352 CG1 ILE A 35 -15.569 5.522 3.428 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.998 7.391 2.852 1.00 0.00 C ATOM 354 CD1 ILE A 35 -15.865 6.107 4.791 1.00 0.00 C ATOM 0 H ILE A 35 -17.335 5.753 1.362 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.703 7.975 3.007 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.909 6.059 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.443 4.972 3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.755 4.802 3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.158 6.727 3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.717 8.104 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.264 7.930 3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.125 5.305 5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.985 6.633 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.699 6.805 4.714 1.00 0.00 H new ATOM 366 N ILE A 36 -16.092 8.199 -0.215 1.00 0.00 N ATOM 367 CA ILE A 36 -15.736 9.121 -1.289 1.00 0.00 C ATOM 368 C ILE A 36 -16.768 10.238 -1.412 1.00 0.00 C ATOM 369 O ILE A 36 -16.441 11.359 -1.798 1.00 0.00 O ATOM 370 CB ILE A 36 -15.616 8.390 -2.641 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.628 7.225 -2.527 1.00 0.00 C ATOM 372 CG2 ILE A 36 -15.189 9.356 -3.737 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.179 7.658 -2.457 1.00 0.00 C ATOM 0 H ILE A 36 -16.419 7.287 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.767 9.551 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.594 7.988 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.867 6.644 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.759 6.564 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.110 8.821 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.929 10.151 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.222 9.789 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.540 6.779 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.921 8.214 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.031 8.294 -1.584 1.00 0.00 H new ATOM 385 N SER A 37 -18.017 9.921 -1.081 1.00 0.00 N ATOM 386 CA SER A 37 -19.099 10.897 -1.155 1.00 0.00 C ATOM 387 C SER A 37 -19.258 11.643 0.169 1.00 0.00 C ATOM 388 O SER A 37 -19.845 12.725 0.213 1.00 0.00 O ATOM 389 CB SER A 37 -20.411 10.205 -1.524 1.00 0.00 C ATOM 390 OG SER A 37 -21.203 11.027 -2.366 1.00 0.00 O ATOM 0 H SER A 37 -18.304 8.997 -0.759 1.00 0.00 H new ATOM 0 HA SER A 37 -18.846 11.622 -1.929 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.199 9.261 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.967 9.965 -0.617 1.00 0.00 H new ATOM 0 HG SER A 37 -22.036 10.561 -2.589 1.00 0.00 H new ATOM 396 N LYS A 38 -18.735 11.060 1.245 1.00 0.00 N ATOM 397 CA LYS A 38 -18.824 11.673 2.567 1.00 0.00 C ATOM 398 C LYS A 38 -18.291 13.101 2.549 1.00 0.00 C ATOM 399 O LYS A 38 -19.039 14.058 2.750 1.00 0.00 O ATOM 400 CB LYS A 38 -18.047 10.838 3.589 1.00 0.00 C ATOM 401 CG LYS A 38 -18.912 9.837 4.340 1.00 0.00 C ATOM 402 CD LYS A 38 -18.870 10.076 5.841 1.00 0.00 C ATOM 403 CE LYS A 38 -19.562 11.376 6.219 1.00 0.00 C ATOM 404 NZ LYS A 38 -21.045 11.238 6.203 1.00 0.00 N ATOM 0 H LYS A 38 -18.246 10.165 1.227 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.875 11.705 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.248 10.303 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.573 11.507 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.941 9.909 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.571 8.825 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.350 9.244 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.833 10.104 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.236 11.686 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.263 12.162 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.481 12.145 6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.358 10.967 5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.333 10.506 6.883 1.00 0.00 H new ATOM 418 N LYS A 39 -16.994 13.233 2.306 1.00 0.00 N ATOM 419 CA LYS A 39 -16.352 14.542 2.259 1.00 0.00 C ATOM 420 C LYS A 39 -14.856 14.408 1.980 1.00 0.00 C ATOM 421 O LYS A 39 -14.341 14.997 1.029 1.00 0.00 O ATOM 422 CB LYS A 39 -16.577 15.296 3.574 1.00 0.00 C ATOM 423 CG LYS A 39 -17.199 16.671 3.387 1.00 0.00 C ATOM 424 CD LYS A 39 -16.589 17.692 4.334 1.00 0.00 C ATOM 425 CE LYS A 39 -15.316 18.294 3.757 1.00 0.00 C ATOM 426 NZ LYS A 39 -15.584 19.560 3.022 1.00 0.00 N ATOM 0 H LYS A 39 -16.364 12.449 2.138 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.803 15.109 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.221 14.699 4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.622 15.405 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.057 16.998 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.274 16.612 3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.311 18.484 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.368 17.217 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.607 18.485 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.847 17.576 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.692 19.938 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.240 19.373 2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.008 20.255 3.670 1.00 0.00 H new ATOM 440 N PRO A 40 -14.133 13.631 2.808 1.00 0.00 N ATOM 441 CA PRO A 40 -12.690 13.428 2.639 1.00 0.00 C ATOM 442 C PRO A 40 -12.318 13.059 1.206 1.00 0.00 C ATOM 443 O PRO A 40 -12.929 12.177 0.603 1.00 0.00 O ATOM 444 CB PRO A 40 -12.385 12.269 3.588 1.00 0.00 C ATOM 445 CG PRO A 40 -13.424 12.369 4.648 1.00 0.00 C ATOM 446 CD PRO A 40 -14.663 12.890 3.970 1.00 0.00 C ATOM 0 HA PRO A 40 -12.122 14.334 2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.436 11.310 3.072 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -11.382 12.353 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.609 11.397 5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.104 13.040 5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.323 12.079 3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.240 13.538 4.630 1.00 0.00 H new ATOM 454 N ARG A 41 -11.311 13.739 0.669 1.00 0.00 N ATOM 455 CA ARG A 41 -10.857 13.484 -0.694 1.00 0.00 C ATOM 456 C ARG A 41 -9.552 14.224 -0.977 1.00 0.00 C ATOM 457 O ARG A 41 -9.562 15.356 -1.461 1.00 0.00 O ATOM 458 CB ARG A 41 -11.927 13.913 -1.699 1.00 0.00 C ATOM 459 CG ARG A 41 -11.743 13.306 -3.080 1.00 0.00 C ATOM 460 CD ARG A 41 -12.580 14.030 -4.122 1.00 0.00 C ATOM 461 NE ARG A 41 -13.958 14.230 -3.674 1.00 0.00 N ATOM 462 CZ ARG A 41 -14.790 15.119 -4.212 1.00 0.00 C ATOM 463 NH1 ARG A 41 -14.391 15.891 -5.214 1.00 0.00 N ATOM 464 NH2 ARG A 41 -16.026 15.235 -3.744 1.00 0.00 N ATOM 0 H ARG A 41 -10.794 14.471 1.156 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.679 12.414 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.908 13.631 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.918 15.000 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.691 13.351 -3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.022 12.252 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.127 14.996 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.580 13.457 -5.049 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.301 13.655 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.442 15.806 -5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.034 16.570 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.337 14.644 -2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.665 15.916 -4.155 1.00 0.00 H new ATOM 478 N THR A 42 -8.431 13.577 -0.669 1.00 0.00 N ATOM 479 CA THR A 42 -7.120 14.177 -0.889 1.00 0.00 C ATOM 480 C THR A 42 -6.056 13.102 -1.088 1.00 0.00 C ATOM 481 O THR A 42 -6.371 11.918 -1.219 1.00 0.00 O ATOM 482 CB THR A 42 -6.744 15.076 0.290 1.00 0.00 C ATOM 483 OG1 THR A 42 -7.896 15.466 1.014 1.00 0.00 O ATOM 484 CG2 THR A 42 -6.016 16.336 -0.127 1.00 0.00 C ATOM 0 H THR A 42 -8.405 12.640 -0.267 1.00 0.00 H new ATOM 0 HA THR A 42 -7.171 14.782 -1.795 1.00 0.00 H new ATOM 0 HB THR A 42 -6.076 14.476 0.907 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.633 16.039 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.779 16.928 0.757 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.094 16.069 -0.644 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.651 16.919 -0.795 1.00 0.00 H new ATOM 492 N ALA A 43 -4.795 13.522 -1.107 1.00 0.00 N ATOM 493 CA ALA A 43 -3.680 12.599 -1.287 1.00 0.00 C ATOM 494 C ALA A 43 -3.661 11.539 -0.192 1.00 0.00 C ATOM 495 O ALA A 43 -3.259 10.400 -0.425 1.00 0.00 O ATOM 496 CB ALA A 43 -2.364 13.361 -1.312 1.00 0.00 C ATOM 0 H ALA A 43 -4.519 14.498 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.811 12.091 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.540 12.660 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.372 14.074 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.235 13.896 -0.371 1.00 0.00 H new ATOM 502 N GLN A 44 -4.093 11.923 1.005 1.00 0.00 N ATOM 503 CA GLN A 44 -4.122 11.004 2.137 1.00 0.00 C ATOM 504 C GLN A 44 -5.010 9.800 1.839 1.00 0.00 C ATOM 505 O GLN A 44 -4.759 8.696 2.323 1.00 0.00 O ATOM 506 CB GLN A 44 -4.622 11.725 3.390 1.00 0.00 C ATOM 507 CG GLN A 44 -3.966 11.241 4.674 1.00 0.00 C ATOM 508 CD GLN A 44 -4.711 11.690 5.916 1.00 0.00 C ATOM 509 OE1 GLN A 44 -4.144 12.340 6.793 1.00 0.00 O ATOM 510 NE2 GLN A 44 -5.991 11.344 5.993 1.00 0.00 N ATOM 0 H GLN A 44 -4.427 12.863 1.216 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.107 10.647 2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.441 12.794 3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.701 11.591 3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.911 10.152 4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.942 11.611 4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.420 10.804 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.545 11.618 6.804 1.00 0.00 H new ATOM 519 N ASP A 45 -6.050 10.020 1.043 1.00 0.00 N ATOM 520 CA ASP A 45 -6.973 8.954 0.682 1.00 0.00 C ATOM 521 C ASP A 45 -6.312 7.951 -0.259 1.00 0.00 C ATOM 522 O ASP A 45 -6.579 6.750 -0.188 1.00 0.00 O ATOM 523 CB ASP A 45 -8.226 9.537 0.025 1.00 0.00 C ATOM 524 CG ASP A 45 -9.234 10.033 1.041 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.576 9.262 1.964 1.00 0.00 O ATOM 526 OD2 ASP A 45 -9.682 11.192 0.916 1.00 0.00 O ATOM 0 H ASP A 45 -6.274 10.928 0.636 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.257 8.432 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.940 10.360 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.691 8.777 -0.603 1.00 0.00 H new ATOM 531 N GLU A 46 -5.455 8.450 -1.142 1.00 0.00 N ATOM 532 CA GLU A 46 -4.761 7.597 -2.102 1.00 0.00 C ATOM 533 C GLU A 46 -3.750 6.692 -1.410 1.00 0.00 C ATOM 534 O GLU A 46 -3.595 5.528 -1.775 1.00 0.00 O ATOM 535 CB GLU A 46 -4.061 8.449 -3.163 1.00 0.00 C ATOM 536 CG GLU A 46 -4.955 8.815 -4.336 1.00 0.00 C ATOM 537 CD GLU A 46 -4.173 9.330 -5.527 1.00 0.00 C ATOM 538 OE1 GLU A 46 -3.624 8.500 -6.282 1.00 0.00 O ATOM 539 OE2 GLU A 46 -4.108 10.565 -5.706 1.00 0.00 O ATOM 0 H GLU A 46 -5.223 9.441 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.507 6.966 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.693 9.364 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.191 7.908 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.531 7.940 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.670 9.574 -4.020 1.00 0.00 H new ATOM 546 N LYS A 47 -3.067 7.226 -0.408 1.00 0.00 N ATOM 547 CA LYS A 47 -2.078 6.450 0.328 1.00 0.00 C ATOM 548 C LYS A 47 -2.761 5.354 1.138 1.00 0.00 C ATOM 549 O LYS A 47 -2.245 4.244 1.261 1.00 0.00 O ATOM 550 CB LYS A 47 -1.256 7.352 1.249 1.00 0.00 C ATOM 551 CG LYS A 47 -2.095 8.134 2.243 1.00 0.00 C ATOM 552 CD LYS A 47 -1.231 8.778 3.318 1.00 0.00 C ATOM 553 CE LYS A 47 -0.303 9.830 2.732 1.00 0.00 C ATOM 554 NZ LYS A 47 1.087 9.693 3.246 1.00 0.00 N ATOM 0 H LYS A 47 -3.178 8.188 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.403 5.988 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.537 6.741 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.683 8.052 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.659 8.905 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.822 7.469 2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.870 9.235 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.642 8.011 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.298 9.745 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.683 10.823 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.688 10.429 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.087 9.800 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.459 8.755 2.995 1.00 0.00 H new ATOM 568 N PHE A 48 -3.926 5.678 1.688 1.00 0.00 N ATOM 569 CA PHE A 48 -4.686 4.725 2.489 1.00 0.00 C ATOM 570 C PHE A 48 -5.155 3.552 1.640 1.00 0.00 C ATOM 571 O PHE A 48 -5.048 2.395 2.051 1.00 0.00 O ATOM 572 CB PHE A 48 -5.886 5.414 3.141 1.00 0.00 C ATOM 573 CG PHE A 48 -6.172 4.931 4.534 1.00 0.00 C ATOM 574 CD1 PHE A 48 -6.621 3.639 4.755 1.00 0.00 C ATOM 575 CD2 PHE A 48 -5.993 5.770 5.622 1.00 0.00 C ATOM 576 CE1 PHE A 48 -6.886 3.193 6.036 1.00 0.00 C ATOM 577 CE2 PHE A 48 -6.257 5.330 6.905 1.00 0.00 C ATOM 578 CZ PHE A 48 -6.703 4.039 7.113 1.00 0.00 C ATOM 0 H PHE A 48 -4.365 6.594 1.594 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.030 4.342 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.707 6.489 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.768 5.253 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.765 2.973 3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.643 6.780 5.465 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.236 2.184 6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.115 5.995 7.744 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.908 3.692 8.115 1.00 0.00 H new ATOM 588 N LEU A 49 -5.671 3.850 0.454 1.00 0.00 N ATOM 589 CA LEU A 49 -6.146 2.807 -0.445 1.00 0.00 C ATOM 590 C LEU A 49 -4.968 2.032 -1.023 1.00 0.00 C ATOM 591 O LEU A 49 -5.059 0.831 -1.272 1.00 0.00 O ATOM 592 CB LEU A 49 -6.998 3.401 -1.570 1.00 0.00 C ATOM 593 CG LEU A 49 -6.317 4.485 -2.406 1.00 0.00 C ATOM 594 CD1 LEU A 49 -5.410 3.861 -3.456 1.00 0.00 C ATOM 595 CD2 LEU A 49 -7.360 5.379 -3.061 1.00 0.00 C ATOM 0 H LEU A 49 -5.771 4.799 0.094 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.771 2.121 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.306 2.594 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.905 3.819 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.702 5.097 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.935 4.649 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.644 3.261 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.001 3.226 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.861 6.146 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.999 4.779 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.968 5.853 -2.291 1.00 0.00 H new ATOM 607 N ARG A 50 -3.854 2.733 -1.222 1.00 0.00 N ATOM 608 CA ARG A 50 -2.648 2.114 -1.757 1.00 0.00 C ATOM 609 C ARG A 50 -2.067 1.119 -0.759 1.00 0.00 C ATOM 610 O ARG A 50 -1.518 0.086 -1.145 1.00 0.00 O ATOM 611 CB ARG A 50 -1.608 3.184 -2.094 1.00 0.00 C ATOM 612 CG ARG A 50 -0.562 2.722 -3.094 1.00 0.00 C ATOM 613 CD ARG A 50 -0.285 3.784 -4.145 1.00 0.00 C ATOM 614 NE ARG A 50 0.349 4.970 -3.574 1.00 0.00 N ATOM 615 CZ ARG A 50 0.716 6.031 -4.288 1.00 0.00 C ATOM 616 NH1 ARG A 50 0.513 6.060 -5.599 1.00 0.00 N ATOM 617 NH2 ARG A 50 1.290 7.066 -3.689 1.00 0.00 N ATOM 0 H ARG A 50 -3.763 3.729 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.913 1.578 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.118 4.061 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.109 3.495 -1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.362 2.479 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.902 1.808 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.358 3.367 -4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.220 4.070 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 50 0.520 4.986 -2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.073 5.266 -6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.797 6.876 -6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.450 7.048 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.572 7.880 -4.236 1.00 0.00 H new ATOM 631 N GLU A 51 -2.195 1.436 0.525 1.00 0.00 N ATOM 632 CA GLU A 51 -1.686 0.568 1.581 1.00 0.00 C ATOM 633 C GLU A 51 -2.538 -0.691 1.700 1.00 0.00 C ATOM 634 O GLU A 51 -2.033 -1.769 2.012 1.00 0.00 O ATOM 635 CB GLU A 51 -1.664 1.313 2.917 1.00 0.00 C ATOM 636 CG GLU A 51 -0.417 1.046 3.744 1.00 0.00 C ATOM 637 CD GLU A 51 0.528 2.232 3.773 1.00 0.00 C ATOM 638 OE1 GLU A 51 1.069 2.586 2.704 1.00 0.00 O ATOM 639 OE2 GLU A 51 0.730 2.804 4.864 1.00 0.00 O ATOM 0 H GLU A 51 -2.647 2.287 0.860 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.668 0.276 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.741 2.384 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.542 1.028 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.709 0.793 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.105 0.180 3.338 1.00 0.00 H new ATOM 646 N SER A 52 -3.833 -0.543 1.444 1.00 0.00 N ATOM 647 CA SER A 52 -4.762 -1.665 1.514 1.00 0.00 C ATOM 648 C SER A 52 -5.299 -2.007 0.128 1.00 0.00 C ATOM 649 O SER A 52 -6.502 -2.187 -0.056 1.00 0.00 O ATOM 650 CB SER A 52 -5.920 -1.334 2.458 1.00 0.00 C ATOM 651 OG SER A 52 -5.443 -0.909 3.723 1.00 0.00 O ATOM 0 H SER A 52 -4.264 0.345 1.186 1.00 0.00 H new ATOM 0 HA SER A 52 -4.225 -2.531 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.539 -0.552 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.555 -2.212 2.581 1.00 0.00 H new ATOM 0 HG SER A 52 -6.203 -0.702 4.306 1.00 0.00 H new ATOM 657 N ALA A 53 -4.398 -2.087 -0.848 1.00 0.00 N ATOM 658 CA ALA A 53 -4.782 -2.401 -2.218 1.00 0.00 C ATOM 659 C ALA A 53 -4.335 -3.805 -2.611 1.00 0.00 C ATOM 660 O ALA A 53 -3.297 -4.289 -2.158 1.00 0.00 O ATOM 661 CB ALA A 53 -4.200 -1.374 -3.177 1.00 0.00 C ATOM 0 H ALA A 53 -3.398 -1.938 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.870 -2.366 -2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.495 -1.621 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.575 -0.383 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.113 -1.381 -3.102 1.00 0.00 H new ATOM 667 N CYS A 54 -5.129 -4.455 -3.456 1.00 0.00 N ATOM 668 CA CYS A 54 -4.822 -5.805 -3.915 1.00 0.00 C ATOM 669 C CYS A 54 -3.599 -5.809 -4.829 1.00 0.00 C ATOM 670 O CYS A 54 -3.713 -6.029 -6.035 1.00 0.00 O ATOM 671 CB CYS A 54 -6.026 -6.401 -4.650 1.00 0.00 C ATOM 672 SG CYS A 54 -6.269 -8.185 -4.359 1.00 0.00 S ATOM 0 H CYS A 54 -5.992 -4.067 -3.838 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.598 -6.416 -3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.926 -5.868 -4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.905 -6.232 -5.720 1.00 0.00 H new ATOM 677 N GLY A 55 -2.427 -5.568 -4.247 1.00 0.00 N ATOM 678 CA GLY A 55 -1.202 -5.554 -5.028 1.00 0.00 C ATOM 679 C GLY A 55 -0.506 -4.208 -5.000 1.00 0.00 C ATOM 680 O GLY A 55 -0.835 -3.347 -4.184 1.00 0.00 O ATOM 0 H GLY A 55 -2.304 -5.383 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.524 -6.317 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.431 -5.819 -6.060 1.00 0.00 H new ATOM 684 N PHE A 56 0.461 -4.028 -5.894 1.00 0.00 N ATOM 685 CA PHE A 56 1.211 -2.778 -5.974 1.00 0.00 C ATOM 686 C PHE A 56 0.883 -2.017 -7.256 1.00 0.00 C ATOM 687 O PHE A 56 1.107 -0.809 -7.344 1.00 0.00 O ATOM 688 CB PHE A 56 2.713 -3.058 -5.907 1.00 0.00 C ATOM 689 CG PHE A 56 3.194 -3.432 -4.533 1.00 0.00 C ATOM 690 CD1 PHE A 56 3.012 -2.571 -3.462 1.00 0.00 C ATOM 691 CD2 PHE A 56 3.827 -4.645 -4.313 1.00 0.00 C ATOM 692 CE1 PHE A 56 3.452 -2.913 -2.198 1.00 0.00 C ATOM 693 CE2 PHE A 56 4.271 -4.993 -3.050 1.00 0.00 C ATOM 694 CZ PHE A 56 4.084 -4.125 -1.992 1.00 0.00 C ATOM 0 H PHE A 56 0.745 -4.733 -6.575 1.00 0.00 H new ATOM 0 HA PHE A 56 0.921 -2.159 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.955 -3.864 -6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.254 -2.174 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.521 -1.622 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.975 -5.327 -5.137 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.302 -2.234 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.763 -5.941 -2.892 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.431 -4.393 -1.005 1.00 0.00 H new ATOM 704 N ASP A 57 0.354 -2.726 -8.252 1.00 0.00 N ATOM 705 CA ASP A 57 0.001 -2.114 -9.529 1.00 0.00 C ATOM 706 C ASP A 57 -0.853 -0.866 -9.325 1.00 0.00 C ATOM 707 O ASP A 57 -1.876 -0.906 -8.643 1.00 0.00 O ATOM 708 CB ASP A 57 -0.746 -3.117 -10.409 1.00 0.00 C ATOM 709 CG ASP A 57 0.044 -4.393 -10.631 1.00 0.00 C ATOM 710 OD1 ASP A 57 0.571 -4.944 -9.641 1.00 0.00 O ATOM 711 OD2 ASP A 57 0.134 -4.841 -11.793 1.00 0.00 O ATOM 0 H ASP A 57 0.161 -3.726 -8.198 1.00 0.00 H new ATOM 0 HA ASP A 57 0.925 -1.819 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.702 -3.361 -9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.966 -2.657 -11.372 1.00 0.00 H new ATOM 716 N GLY A 58 -0.423 0.242 -9.920 1.00 0.00 N ATOM 717 CA GLY A 58 -1.158 1.488 -9.792 1.00 0.00 C ATOM 718 C GLY A 58 -2.183 1.674 -10.893 1.00 0.00 C ATOM 719 O GLY A 58 -3.254 2.233 -10.664 1.00 0.00 O ATOM 0 H GLY A 58 0.422 0.300 -10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.660 1.512 -8.825 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.457 2.323 -9.808 1.00 0.00 H new ATOM 723 N GLN A 59 -1.852 1.204 -12.093 1.00 0.00 N ATOM 724 CA GLN A 59 -2.753 1.324 -13.234 1.00 0.00 C ATOM 725 C GLN A 59 -4.090 0.647 -12.945 1.00 0.00 C ATOM 726 O GLN A 59 -5.133 1.072 -13.441 1.00 0.00 O ATOM 727 CB GLN A 59 -2.114 0.709 -14.482 1.00 0.00 C ATOM 728 CG GLN A 59 -1.500 1.737 -15.419 1.00 0.00 C ATOM 729 CD GLN A 59 -0.147 1.307 -15.950 1.00 0.00 C ATOM 730 OE1 GLN A 59 0.778 1.040 -15.184 1.00 0.00 O ATOM 731 NE2 GLN A 59 -0.024 1.238 -17.270 1.00 0.00 N ATOM 0 H GLN A 59 -0.969 0.738 -12.299 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.935 2.384 -13.413 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.343 0.003 -14.175 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.869 0.140 -15.024 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.176 1.910 -16.256 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.395 2.686 -14.893 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.817 1.468 -17.869 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.863 0.955 -17.685 1.00 0.00 H new ATOM 740 N THR A 60 -4.050 -0.406 -12.135 1.00 0.00 N ATOM 741 CA THR A 60 -5.258 -1.140 -11.777 1.00 0.00 C ATOM 742 C THR A 60 -5.761 -0.721 -10.397 1.00 0.00 C ATOM 743 O THR A 60 -5.260 -1.196 -9.377 1.00 0.00 O ATOM 744 CB THR A 60 -4.986 -2.646 -11.797 1.00 0.00 C ATOM 745 OG1 THR A 60 -3.943 -2.956 -12.703 1.00 0.00 O ATOM 746 CG2 THR A 60 -6.196 -3.466 -12.190 1.00 0.00 C ATOM 0 H THR A 60 -3.195 -0.770 -11.715 1.00 0.00 H new ATOM 0 HA THR A 60 -6.029 -0.905 -12.511 1.00 0.00 H new ATOM 0 HB THR A 60 -4.709 -2.903 -10.775 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.783 -3.923 -12.700 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.936 -4.524 -12.185 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.003 -3.287 -11.480 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.522 -3.178 -13.189 1.00 0.00 H new ATOM 754 N PRO A 61 -6.760 0.179 -10.342 1.00 0.00 N ATOM 755 CA PRO A 61 -7.320 0.655 -9.072 1.00 0.00 C ATOM 756 C PRO A 61 -8.031 -0.453 -8.302 1.00 0.00 C ATOM 757 O PRO A 61 -9.119 -0.887 -8.681 1.00 0.00 O ATOM 758 CB PRO A 61 -8.318 1.736 -9.498 1.00 0.00 C ATOM 759 CG PRO A 61 -8.659 1.410 -10.911 1.00 0.00 C ATOM 760 CD PRO A 61 -7.420 0.801 -11.505 1.00 0.00 C ATOM 0 HA PRO A 61 -6.544 1.019 -8.399 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.205 1.725 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.881 2.731 -9.417 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.497 0.715 -10.960 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.955 2.305 -11.458 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.661 0.065 -12.272 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.786 1.554 -11.973 1.00 0.00 H new ATOM 768 N LYS A 62 -7.408 -0.904 -7.219 1.00 0.00 N ATOM 769 CA LYS A 62 -7.980 -1.960 -6.393 1.00 0.00 C ATOM 770 C LYS A 62 -7.849 -1.625 -4.910 1.00 0.00 C ATOM 771 O LYS A 62 -6.886 -0.981 -4.493 1.00 0.00 O ATOM 772 CB LYS A 62 -7.292 -3.295 -6.687 1.00 0.00 C ATOM 773 CG LYS A 62 -7.428 -3.744 -8.133 1.00 0.00 C ATOM 774 CD LYS A 62 -8.834 -4.238 -8.433 1.00 0.00 C ATOM 775 CE LYS A 62 -8.898 -4.965 -9.766 1.00 0.00 C ATOM 776 NZ LYS A 62 -10.108 -5.825 -9.873 1.00 0.00 N ATOM 0 H LYS A 62 -6.507 -0.555 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.039 -2.042 -6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.234 -3.211 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.712 -4.062 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.183 -2.915 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.711 -4.539 -8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.163 -4.906 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.522 -3.393 -8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.898 -4.237 -10.577 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.005 -5.578 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.114 -6.303 -10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.096 -6.537 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.961 -5.237 -9.782 1.00 0.00 H new ATOM 790 N VAL A 63 -8.822 -2.065 -4.121 1.00 0.00 N ATOM 791 CA VAL A 63 -8.816 -1.811 -2.686 1.00 0.00 C ATOM 792 C VAL A 63 -9.238 -3.052 -1.906 1.00 0.00 C ATOM 793 O VAL A 63 -9.923 -3.927 -2.437 1.00 0.00 O ATOM 794 CB VAL A 63 -9.751 -0.644 -2.317 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.580 -0.264 -0.854 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.492 0.552 -3.220 1.00 0.00 C ATOM 0 H VAL A 63 -9.625 -2.600 -4.451 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.794 -1.546 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.781 -0.967 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.249 0.562 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.820 -1.121 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.549 0.040 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.161 1.367 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.458 0.877 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.671 0.270 -4.258 1.00 0.00 H new ATOM 806 N CYS A 64 -8.826 -3.122 -0.645 1.00 0.00 N ATOM 807 CA CYS A 64 -9.160 -4.256 0.206 1.00 0.00 C ATOM 808 C CYS A 64 -10.311 -3.915 1.148 1.00 0.00 C ATOM 809 O CYS A 64 -10.241 -2.952 1.911 1.00 0.00 O ATOM 810 CB CYS A 64 -7.937 -4.693 1.015 1.00 0.00 C ATOM 811 SG CYS A 64 -6.927 -5.972 0.203 1.00 0.00 S ATOM 0 H CYS A 64 -8.260 -2.406 -0.190 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.474 -5.077 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.312 -3.821 1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.270 -5.068 1.983 1.00 0.00 H new ATOM 816 N CYS A 65 -11.368 -4.717 1.088 1.00 0.00 N ATOM 817 CA CYS A 65 -12.539 -4.514 1.932 1.00 0.00 C ATOM 818 C CYS A 65 -12.734 -5.701 2.877 1.00 0.00 C ATOM 819 O CYS A 65 -13.002 -6.817 2.430 1.00 0.00 O ATOM 820 CB CYS A 65 -13.786 -4.325 1.066 1.00 0.00 C ATOM 821 SG CYS A 65 -14.376 -2.603 0.976 1.00 0.00 S ATOM 0 H CYS A 65 -11.438 -5.518 0.460 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.381 -3.616 2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.571 -4.677 0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.586 -4.952 1.459 1.00 0.00 H new ATOM 826 N PRO A 66 -12.601 -5.482 4.197 1.00 0.00 N ATOM 827 CA PRO A 66 -12.765 -6.547 5.192 1.00 0.00 C ATOM 828 C PRO A 66 -14.202 -7.050 5.270 1.00 0.00 C ATOM 829 O PRO A 66 -15.027 -6.736 4.412 1.00 0.00 O ATOM 830 CB PRO A 66 -12.360 -5.877 6.508 1.00 0.00 C ATOM 831 CG PRO A 66 -12.582 -4.422 6.277 1.00 0.00 C ATOM 832 CD PRO A 66 -12.280 -4.185 4.825 1.00 0.00 C ATOM 0 HA PRO A 66 -12.168 -7.426 4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.962 -6.242 7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.318 -6.084 6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.608 -4.141 6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.932 -3.822 6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.886 -3.378 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.237 -3.910 4.670 1.00 0.00 H new