USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 736 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: B 32 SER OG : rot 72:sc= 1.44 USER MOD Set 1.2: B 51 TYR OH : rot 162:sc= -1.27! USER MOD Set 2.1: A 32 SER OG : rot 61:sc= 1.43 USER MOD Set 2.2: A 51 TYR OH : rot 160:sc= -1.28! USER MOD Single : A 19 TYR OH : rot 180:sc= -0.826 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.047) USER MOD Single : A 24 ASN : amide:sc= -0.366 K(o=-0.37,f=-1.9!) USER MOD Single : A 26 GLN : amide:sc= -0.828 X(o=-0.83,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 134:sc= -0.0334 (180deg=-0.84) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 30:sc= -0.599 USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.071) USER MOD Single : B 24 ASN : amide:sc= -0.466 K(o=-0.47,f=-1.6) USER MOD Single : B 26 GLN : amide:sc= -0.827 X(o=-0.83,f=-1) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 136:sc= -0.0163 (180deg=-0.845) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N CYS A 16 -14.446 13.589 10.194 1.00 0.00 N ATOM 73 CA CYS A 16 -13.616 12.538 9.535 1.00 0.00 C ATOM 74 C CYS A 16 -12.244 13.101 9.143 1.00 0.00 C ATOM 75 O CYS A 16 -11.462 12.442 8.491 1.00 0.00 O ATOM 76 CB CYS A 16 -14.404 12.131 8.289 1.00 0.00 C ATOM 77 SG CYS A 16 -13.587 10.722 7.496 1.00 0.00 S ATOM 0 HA CYS A 16 -13.430 11.692 10.196 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -15.426 11.867 8.561 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.465 12.969 7.594 1.00 0.00 H new ATOM 82 N GLU A 17 -11.943 14.313 9.535 1.00 0.00 N ATOM 83 CA GLU A 17 -10.618 14.900 9.181 1.00 0.00 C ATOM 84 C GLU A 17 -9.593 14.599 10.277 1.00 0.00 C ATOM 85 O GLU A 17 -8.560 14.009 10.031 1.00 0.00 O ATOM 86 CB GLU A 17 -10.865 16.404 9.074 1.00 0.00 C ATOM 87 CG GLU A 17 -10.988 16.797 7.601 1.00 0.00 C ATOM 88 CD GLU A 17 -9.635 16.611 6.909 1.00 0.00 C ATOM 89 OE1 GLU A 17 -8.624 16.790 7.568 1.00 0.00 O ATOM 90 OE2 GLU A 17 -9.633 16.293 5.731 1.00 0.00 O ATOM 0 H GLU A 17 -12.555 14.918 10.082 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.219 14.487 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.775 16.673 9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.046 16.952 9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.746 16.185 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.313 17.834 7.516 1.00 0.00 H new ATOM 97 N LEU A 18 -9.872 15.004 11.486 1.00 0.00 N ATOM 98 CA LEU A 18 -8.912 14.749 12.599 1.00 0.00 C ATOM 99 C LEU A 18 -9.123 13.350 13.193 1.00 0.00 C ATOM 100 O LEU A 18 -8.499 12.984 14.169 1.00 0.00 O ATOM 101 CB LEU A 18 -9.228 15.822 13.642 1.00 0.00 C ATOM 102 CG LEU A 18 -8.639 17.161 13.191 1.00 0.00 C ATOM 103 CD1 LEU A 18 -9.335 18.303 13.935 1.00 0.00 C ATOM 104 CD2 LEU A 18 -7.140 17.188 13.501 1.00 0.00 C ATOM 0 H LEU A 18 -10.723 15.500 11.752 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.877 14.790 12.260 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.307 15.912 13.771 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.814 15.537 14.609 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.791 17.282 12.118 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.915 19.256 13.613 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.402 18.284 13.714 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.184 18.184 15.008 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.719 18.141 13.180 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.988 17.067 14.574 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.644 16.375 12.970 1.00 0.00 H new ATOM 116 N TYR A 19 -9.996 12.562 12.619 1.00 0.00 N ATOM 117 CA TYR A 19 -10.234 11.193 13.162 1.00 0.00 C ATOM 118 C TYR A 19 -8.902 10.459 13.371 1.00 0.00 C ATOM 119 O TYR A 19 -8.738 9.693 14.299 1.00 0.00 O ATOM 120 CB TYR A 19 -11.104 10.486 12.107 1.00 0.00 C ATOM 121 CG TYR A 19 -10.265 10.065 10.914 1.00 0.00 C ATOM 122 CD1 TYR A 19 -9.785 11.033 10.004 1.00 0.00 C ATOM 123 CD2 TYR A 19 -9.960 8.698 10.715 1.00 0.00 C ATOM 124 CE1 TYR A 19 -9.001 10.638 8.897 1.00 0.00 C ATOM 125 CE2 TYR A 19 -9.178 8.304 9.609 1.00 0.00 C ATOM 126 CZ TYR A 19 -8.698 9.272 8.699 1.00 0.00 C ATOM 127 OH TYR A 19 -7.934 8.886 7.616 1.00 0.00 O ATOM 0 H TYR A 19 -10.552 12.808 11.800 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.726 11.214 14.134 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.581 9.611 12.549 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.901 11.153 11.780 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.018 12.077 10.155 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.326 7.956 11.410 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.634 11.379 8.203 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.946 7.260 9.458 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.818 7.913 7.628 1.00 0.00 H new ATOM 137 N VAL A 20 -7.953 10.689 12.506 1.00 0.00 N ATOM 138 CA VAL A 20 -6.636 10.006 12.644 1.00 0.00 C ATOM 139 C VAL A 20 -5.745 10.758 13.635 1.00 0.00 C ATOM 140 O VAL A 20 -4.687 11.246 13.286 1.00 0.00 O ATOM 141 CB VAL A 20 -6.026 10.034 11.242 1.00 0.00 C ATOM 142 CG1 VAL A 20 -5.805 11.487 10.807 1.00 0.00 C ATOM 143 CG2 VAL A 20 -4.683 9.301 11.258 1.00 0.00 C ATOM 0 H VAL A 20 -8.033 11.321 11.709 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.738 8.989 13.024 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.703 9.544 10.542 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.370 11.505 9.808 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.760 12.013 10.797 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.128 11.977 11.506 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.246 9.320 10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.008 9.793 11.958 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.836 8.267 11.568 1.00 0.00 H new ATOM 153 N GLN A 21 -6.160 10.852 14.866 1.00 0.00 N ATOM 154 CA GLN A 21 -5.331 11.565 15.874 1.00 0.00 C ATOM 155 C GLN A 21 -4.149 10.686 16.292 1.00 0.00 C ATOM 156 O GLN A 21 -3.792 9.750 15.605 1.00 0.00 O ATOM 157 CB GLN A 21 -6.264 11.812 17.060 1.00 0.00 C ATOM 158 CG GLN A 21 -6.380 13.317 17.317 1.00 0.00 C ATOM 159 CD GLN A 21 -6.870 13.554 18.745 1.00 0.00 C ATOM 160 OE1 GLN A 21 -7.692 12.816 19.249 1.00 0.00 O ATOM 161 NE2 GLN A 21 -6.397 14.564 19.426 1.00 0.00 N ATOM 0 H GLN A 21 -7.037 10.466 15.217 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.918 12.496 15.487 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.248 11.391 16.855 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.881 11.310 17.948 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.413 13.798 17.169 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.072 13.766 16.605 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.706 15.185 19.004 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.718 14.731 20.379 1.00 0.00 H new ATOM 170 N LYS A 22 -3.545 10.975 17.409 1.00 0.00 N ATOM 171 CA LYS A 22 -2.393 10.145 17.865 1.00 0.00 C ATOM 172 C LYS A 22 -2.891 8.767 18.311 1.00 0.00 C ATOM 173 O LYS A 22 -2.781 8.398 19.462 1.00 0.00 O ATOM 174 CB LYS A 22 -1.795 10.909 19.047 1.00 0.00 C ATOM 175 CG LYS A 22 -0.708 11.862 18.546 1.00 0.00 C ATOM 176 CD LYS A 22 0.156 12.316 19.723 1.00 0.00 C ATOM 177 CE LYS A 22 -0.221 13.748 20.111 1.00 0.00 C ATOM 178 NZ LYS A 22 0.473 13.990 21.407 1.00 0.00 N ATOM 0 H LYS A 22 -3.797 11.747 18.026 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.658 9.982 17.076 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.575 11.470 19.562 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.375 10.210 19.770 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.090 11.365 17.798 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.162 12.726 18.061 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.012 11.648 20.572 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.211 12.267 19.454 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.101 14.461 19.352 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.300 13.858 20.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.263 14.953 21.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.142 13.301 22.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.499 13.885 21.276 1.00 0.00 H new ATOM 192 N HIS A 23 -3.448 8.007 17.405 1.00 0.00 N ATOM 193 CA HIS A 23 -3.961 6.660 17.777 1.00 0.00 C ATOM 194 C HIS A 23 -4.304 5.851 16.524 1.00 0.00 C ATOM 195 O HIS A 23 -3.937 4.701 16.393 1.00 0.00 O ATOM 196 CB HIS A 23 -5.230 6.940 18.584 1.00 0.00 C ATOM 197 CG HIS A 23 -5.742 5.658 19.179 1.00 0.00 C ATOM 198 ND1 HIS A 23 -6.915 5.601 19.915 1.00 0.00 N ATOM 199 CD2 HIS A 23 -5.253 4.375 19.155 1.00 0.00 C ATOM 200 CE1 HIS A 23 -7.091 4.323 20.302 1.00 0.00 C ATOM 201 NE2 HIS A 23 -6.106 3.535 19.865 1.00 0.00 N ATOM 0 H HIS A 23 -3.569 8.262 16.425 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.227 6.081 18.337 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.019 7.661 19.374 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.991 7.384 17.942 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.344 4.065 18.660 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.926 3.978 20.893 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.001 2.532 20.019 1.00 0.00 H new ATOM 209 N ASN A 24 -5.018 6.446 15.609 1.00 0.00 N ATOM 210 CA ASN A 24 -5.404 5.722 14.366 1.00 0.00 C ATOM 211 C ASN A 24 -4.154 5.329 13.555 1.00 0.00 C ATOM 212 O ASN A 24 -3.153 4.920 14.107 1.00 0.00 O ATOM 213 CB ASN A 24 -6.271 6.718 13.597 1.00 0.00 C ATOM 214 CG ASN A 24 -7.310 5.959 12.770 1.00 0.00 C ATOM 215 OD1 ASN A 24 -7.418 6.162 11.576 1.00 0.00 O ATOM 216 ND2 ASN A 24 -8.086 5.091 13.356 1.00 0.00 N ATOM 0 H ASN A 24 -5.352 7.408 15.670 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.934 4.792 14.571 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.768 7.396 14.291 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.648 7.330 12.945 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.784 4.582 12.813 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.996 4.921 14.358 1.00 0.00 H new ATOM 223 N ILE A 25 -4.207 5.448 12.252 1.00 0.00 N ATOM 224 CA ILE A 25 -3.027 5.072 11.417 1.00 0.00 C ATOM 225 C ILE A 25 -1.789 5.875 11.839 1.00 0.00 C ATOM 226 O ILE A 25 -0.673 5.514 11.526 1.00 0.00 O ATOM 227 CB ILE A 25 -3.421 5.418 9.977 1.00 0.00 C ATOM 228 CG1 ILE A 25 -4.699 4.664 9.574 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.286 5.025 9.030 1.00 0.00 C ATOM 230 CD1 ILE A 25 -4.537 3.165 9.849 1.00 0.00 C ATOM 0 H ILE A 25 -5.015 5.789 11.732 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.774 4.018 11.528 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.606 6.490 9.913 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.551 5.054 10.131 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.908 4.827 8.517 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.565 5.271 8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.382 5.570 9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.101 3.954 9.109 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.448 2.641 9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.697 2.778 9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.350 3.008 10.911 1.00 0.00 H new ATOM 242 N GLN A 26 -1.977 6.961 12.542 1.00 0.00 N ATOM 243 CA GLN A 26 -0.808 7.784 12.980 1.00 0.00 C ATOM 244 C GLN A 26 0.276 6.897 13.602 1.00 0.00 C ATOM 245 O GLN A 26 1.455 7.162 13.479 1.00 0.00 O ATOM 246 CB GLN A 26 -1.372 8.748 14.024 1.00 0.00 C ATOM 247 CG GLN A 26 -0.657 10.096 13.914 1.00 0.00 C ATOM 248 CD GLN A 26 0.754 9.974 14.495 1.00 0.00 C ATOM 249 OE1 GLN A 26 0.934 9.997 15.696 1.00 0.00 O ATOM 250 NE2 GLN A 26 1.770 9.842 13.686 1.00 0.00 N ATOM 0 H GLN A 26 -2.889 7.315 12.832 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.343 8.307 12.145 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.443 8.879 13.872 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.240 8.335 15.024 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.607 10.409 12.871 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.218 10.862 14.450 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.620 9.823 12.677 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.714 9.758 14.063 1.00 0.00 H new ATOM 259 N ALA A 27 -0.114 5.844 14.266 1.00 0.00 N ATOM 260 CA ALA A 27 0.897 4.941 14.890 1.00 0.00 C ATOM 261 C ALA A 27 1.491 4.009 13.832 1.00 0.00 C ATOM 262 O ALA A 27 2.639 3.618 13.910 1.00 0.00 O ATOM 263 CB ALA A 27 0.124 4.141 15.939 1.00 0.00 C ATOM 0 H ALA A 27 -1.087 5.569 14.404 1.00 0.00 H new ATOM 0 HA ALA A 27 1.727 5.492 15.332 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.802 3.452 16.443 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.310 4.823 16.670 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.672 3.577 15.453 1.00 0.00 H new ATOM 269 N LEU A 28 0.720 3.655 12.841 1.00 0.00 N ATOM 270 CA LEU A 28 1.241 2.751 11.774 1.00 0.00 C ATOM 271 C LEU A 28 2.074 3.551 10.769 1.00 0.00 C ATOM 272 O LEU A 28 3.067 3.077 10.254 1.00 0.00 O ATOM 273 CB LEU A 28 -0.006 2.174 11.102 1.00 0.00 C ATOM 274 CG LEU A 28 -0.727 1.243 12.078 1.00 0.00 C ATOM 275 CD1 LEU A 28 -2.054 1.875 12.500 1.00 0.00 C ATOM 276 CD2 LEU A 28 -0.999 -0.099 11.392 1.00 0.00 C ATOM 0 H LEU A 28 -0.249 3.952 12.723 1.00 0.00 H new ATOM 0 HA LEU A 28 1.887 1.968 12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.671 2.980 10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.273 1.628 10.201 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.104 1.085 12.958 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.568 1.212 13.196 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.863 2.832 12.985 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.678 2.032 11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.513 -0.765 12.086 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.623 0.062 10.513 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.054 -0.550 11.088 1.00 0.00 H new ATOM 288 N LEU A 29 1.676 4.761 10.488 1.00 0.00 N ATOM 289 CA LEU A 29 2.442 5.594 9.518 1.00 0.00 C ATOM 290 C LEU A 29 3.754 6.069 10.148 1.00 0.00 C ATOM 291 O LEU A 29 4.754 6.228 9.477 1.00 0.00 O ATOM 292 CB LEU A 29 1.534 6.787 9.216 1.00 0.00 C ATOM 293 CG LEU A 29 1.067 6.718 7.761 1.00 0.00 C ATOM 294 CD1 LEU A 29 2.279 6.790 6.831 1.00 0.00 C ATOM 295 CD2 LEU A 29 0.321 5.402 7.526 1.00 0.00 C ATOM 0 H LEU A 29 0.852 5.210 10.889 1.00 0.00 H new ATOM 0 HA LEU A 29 2.703 5.040 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.674 6.782 9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.070 7.719 9.393 1.00 0.00 H new ATOM 0 HG LEU A 29 0.401 7.556 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.946 6.741 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.810 7.727 6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.946 5.953 7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.012 5.353 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.987 4.564 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.544 5.351 8.188 1.00 0.00 H new ATOM 307 N LYS A 30 3.754 6.297 11.432 1.00 0.00 N ATOM 308 CA LYS A 30 4.998 6.765 12.116 1.00 0.00 C ATOM 309 C LYS A 30 6.192 5.893 11.711 1.00 0.00 C ATOM 310 O LYS A 30 7.094 6.337 11.026 1.00 0.00 O ATOM 311 CB LYS A 30 4.706 6.613 13.610 1.00 0.00 C ATOM 312 CG LYS A 30 5.950 6.988 14.415 1.00 0.00 C ATOM 313 CD LYS A 30 5.582 7.111 15.896 1.00 0.00 C ATOM 314 CE LYS A 30 6.323 8.300 16.511 1.00 0.00 C ATOM 315 NZ LYS A 30 5.282 9.346 16.695 1.00 0.00 N ATOM 0 H LYS A 30 2.945 6.180 12.041 1.00 0.00 H new ATOM 0 HA LYS A 30 5.253 7.791 11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.870 7.252 13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.413 5.587 13.831 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.723 6.231 14.283 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.361 7.930 14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.506 7.245 16.004 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.844 6.194 16.424 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.784 8.030 17.461 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.122 8.649 15.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.713 10.195 17.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.866 9.588 15.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.538 8.988 17.327 1.00 0.00 H new ATOM 329 N ASP A 31 6.204 4.655 12.126 1.00 0.00 N ATOM 330 CA ASP A 31 7.339 3.761 11.760 1.00 0.00 C ATOM 331 C ASP A 31 7.448 3.648 10.238 1.00 0.00 C ATOM 332 O ASP A 31 8.526 3.536 9.688 1.00 0.00 O ATOM 333 CB ASP A 31 6.989 2.406 12.377 1.00 0.00 C ATOM 334 CG ASP A 31 7.191 2.468 13.890 1.00 0.00 C ATOM 335 OD1 ASP A 31 8.327 2.607 14.312 1.00 0.00 O ATOM 336 OD2 ASP A 31 6.205 2.375 14.603 1.00 0.00 O ATOM 0 H ASP A 31 5.479 4.225 12.701 1.00 0.00 H new ATOM 0 HA ASP A 31 8.297 4.136 12.120 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.956 2.146 12.148 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.617 1.626 11.947 1.00 0.00 H new ATOM 341 N SER A 32 6.339 3.679 9.551 1.00 0.00 N ATOM 342 CA SER A 32 6.380 3.577 8.063 1.00 0.00 C ATOM 343 C SER A 32 7.220 4.716 7.480 1.00 0.00 C ATOM 344 O SER A 32 8.103 4.500 6.675 1.00 0.00 O ATOM 345 CB SER A 32 4.924 3.701 7.614 1.00 0.00 C ATOM 346 OG SER A 32 4.440 2.419 7.235 1.00 0.00 O ATOM 0 H SER A 32 5.407 3.770 9.954 1.00 0.00 H new ATOM 0 HA SER A 32 6.830 2.643 7.726 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.316 4.108 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.847 4.394 6.776 1.00 0.00 H new ATOM 0 HG SER A 32 4.491 1.810 8.001 1.00 0.00 H new ATOM 352 N ILE A 33 6.951 5.929 7.885 1.00 0.00 N ATOM 353 CA ILE A 33 7.736 7.082 7.357 1.00 0.00 C ATOM 354 C ILE A 33 9.235 6.826 7.539 1.00 0.00 C ATOM 355 O ILE A 33 10.037 7.140 6.682 1.00 0.00 O ATOM 356 CB ILE A 33 7.286 8.282 8.193 1.00 0.00 C ATOM 357 CG1 ILE A 33 5.813 8.583 7.903 1.00 0.00 C ATOM 358 CG2 ILE A 33 8.133 9.505 7.836 1.00 0.00 C ATOM 359 CD1 ILE A 33 5.238 9.440 9.029 1.00 0.00 C ATOM 0 H ILE A 33 6.223 6.171 8.557 1.00 0.00 H new ATOM 0 HA ILE A 33 7.571 7.245 6.292 1.00 0.00 H new ATOM 0 HB ILE A 33 7.411 8.051 9.251 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.718 9.104 6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.251 7.653 7.816 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.810 10.358 8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.182 9.294 8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.011 9.736 6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.189 9.655 8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.320 8.902 9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.794 10.375 9.095 1.00 0.00 H new ATOM 371 N VAL A 34 9.617 6.256 8.648 1.00 0.00 N ATOM 372 CA VAL A 34 11.065 5.981 8.884 1.00 0.00 C ATOM 373 C VAL A 34 11.645 5.164 7.726 1.00 0.00 C ATOM 374 O VAL A 34 12.686 5.484 7.187 1.00 0.00 O ATOM 375 CB VAL A 34 11.107 5.174 10.182 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.561 4.876 10.551 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.452 5.984 11.306 1.00 0.00 C ATOM 0 H VAL A 34 8.992 5.969 9.401 1.00 0.00 H new ATOM 0 HA VAL A 34 11.653 6.896 8.952 1.00 0.00 H new ATOM 0 HB VAL A 34 10.568 4.237 10.045 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.591 4.301 11.476 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.029 4.302 9.751 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.101 5.813 10.689 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.481 5.410 12.232 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.993 6.921 11.442 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.416 6.198 11.044 1.00 0.00 H new ATOM 387 N GLN A 35 10.982 4.107 7.342 1.00 0.00 N ATOM 388 CA GLN A 35 11.499 3.268 6.223 1.00 0.00 C ATOM 389 C GLN A 35 11.063 3.847 4.874 1.00 0.00 C ATOM 390 O GLN A 35 11.829 3.882 3.931 1.00 0.00 O ATOM 391 CB GLN A 35 10.877 1.887 6.441 1.00 0.00 C ATOM 392 CG GLN A 35 11.779 1.059 7.355 1.00 0.00 C ATOM 393 CD GLN A 35 10.965 -0.073 7.988 1.00 0.00 C ATOM 394 OE1 GLN A 35 10.408 -0.897 7.290 1.00 0.00 O ATOM 395 NE2 GLN A 35 10.873 -0.146 9.287 1.00 0.00 N ATOM 0 H GLN A 35 10.105 3.788 7.754 1.00 0.00 H new ATOM 0 HA GLN A 35 12.588 3.228 6.210 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.887 1.989 6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.747 1.380 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.612 0.647 6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.206 1.692 8.132 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.341 0.547 9.871 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.333 -0.896 9.719 1.00 0.00 H new ATOM 404 N LEU A 36 9.844 4.299 4.771 1.00 0.00 N ATOM 405 CA LEU A 36 9.375 4.870 3.474 1.00 0.00 C ATOM 406 C LEU A 36 10.084 6.197 3.182 1.00 0.00 C ATOM 407 O LEU A 36 9.969 6.741 2.101 1.00 0.00 O ATOM 408 CB LEU A 36 7.871 5.090 3.648 1.00 0.00 C ATOM 409 CG LEU A 36 7.156 3.737 3.674 1.00 0.00 C ATOM 410 CD1 LEU A 36 5.971 3.801 4.636 1.00 0.00 C ATOM 411 CD2 LEU A 36 6.652 3.398 2.269 1.00 0.00 C ATOM 0 H LEU A 36 9.155 4.299 5.523 1.00 0.00 H new ATOM 0 HA LEU A 36 9.593 4.207 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.677 5.634 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.485 5.701 2.832 1.00 0.00 H new ATOM 0 HG LEU A 36 7.853 2.968 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.463 2.837 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.328 4.041 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.275 4.572 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.143 2.434 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.957 4.169 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.496 3.349 1.582 1.00 0.00 H new ATOM 423 N CYS A 37 10.826 6.727 4.126 1.00 0.00 N ATOM 424 CA CYS A 37 11.541 8.013 3.875 1.00 0.00 C ATOM 425 C CYS A 37 12.324 7.921 2.564 1.00 0.00 C ATOM 426 O CYS A 37 12.261 8.799 1.725 1.00 0.00 O ATOM 427 CB CYS A 37 12.493 8.184 5.059 1.00 0.00 C ATOM 428 SG CYS A 37 13.399 9.742 4.885 1.00 0.00 S ATOM 0 H CYS A 37 10.965 6.325 5.053 1.00 0.00 H new ATOM 0 HA CYS A 37 10.858 8.857 3.786 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.932 8.179 5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.191 7.348 5.102 1.00 0.00 H new ATOM 433 N THR A 38 13.044 6.850 2.374 1.00 0.00 N ATOM 434 CA THR A 38 13.811 6.684 1.109 1.00 0.00 C ATOM 435 C THR A 38 12.830 6.509 -0.053 1.00 0.00 C ATOM 436 O THR A 38 13.131 6.813 -1.189 1.00 0.00 O ATOM 437 CB THR A 38 14.642 5.414 1.320 1.00 0.00 C ATOM 438 OG1 THR A 38 15.618 5.652 2.323 1.00 0.00 O ATOM 439 CG2 THR A 38 15.338 5.030 0.012 1.00 0.00 C ATOM 0 H THR A 38 13.134 6.083 3.040 1.00 0.00 H new ATOM 0 HA THR A 38 14.443 7.540 0.874 1.00 0.00 H new ATOM 0 HB THR A 38 13.987 4.600 1.632 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.150 4.841 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.928 4.127 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.589 4.848 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.993 5.842 -0.304 1.00 0.00 H new ATOM 447 N ALA A 39 11.649 6.029 0.236 1.00 0.00 N ATOM 448 CA ALA A 39 10.628 5.836 -0.833 1.00 0.00 C ATOM 449 C ALA A 39 11.195 5.004 -1.982 1.00 0.00 C ATOM 450 O ALA A 39 11.493 5.511 -3.046 1.00 0.00 O ATOM 451 CB ALA A 39 10.283 7.242 -1.308 1.00 0.00 C ATOM 0 H ALA A 39 11.347 5.761 1.173 1.00 0.00 H new ATOM 0 HA ALA A 39 9.752 5.300 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.534 7.186 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.887 7.821 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.181 7.727 -1.692 1.00 0.00 H new ATOM 457 N ARG A 40 11.331 3.726 -1.776 1.00 0.00 N ATOM 458 CA ARG A 40 11.864 2.844 -2.852 1.00 0.00 C ATOM 459 C ARG A 40 11.425 1.389 -2.614 1.00 0.00 C ATOM 460 O ARG A 40 12.239 0.489 -2.665 1.00 0.00 O ATOM 461 CB ARG A 40 13.383 2.967 -2.741 1.00 0.00 C ATOM 462 CG ARG A 40 13.963 3.381 -4.094 1.00 0.00 C ATOM 463 CD ARG A 40 15.490 3.286 -4.042 1.00 0.00 C ATOM 464 NE ARG A 40 15.964 4.017 -5.250 1.00 0.00 N ATOM 465 CZ ARG A 40 16.987 3.568 -5.924 1.00 0.00 C ATOM 466 NH1 ARG A 40 18.122 3.348 -5.319 1.00 0.00 N ATOM 467 NH2 ARG A 40 16.874 3.340 -7.203 1.00 0.00 N ATOM 0 H ARG A 40 11.095 3.251 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 40 11.499 3.128 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.644 3.704 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 40 13.813 2.017 -2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.574 2.736 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.659 4.399 -4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.882 3.735 -3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.821 2.248 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 40 15.489 4.868 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.210 3.527 -4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.921 2.997 -5.846 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.987 3.513 -7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.673 2.989 -7.731 1.00 0.00 H new ATOM 481 N PRO A 41 10.149 1.200 -2.363 1.00 0.00 N ATOM 482 CA PRO A 41 9.625 -0.167 -2.116 1.00 0.00 C ATOM 483 C PRO A 41 9.510 -0.949 -3.429 1.00 0.00 C ATOM 484 O PRO A 41 8.820 -0.543 -4.342 1.00 0.00 O ATOM 485 CB PRO A 41 8.239 0.080 -1.529 1.00 0.00 C ATOM 486 CG PRO A 41 7.831 1.421 -2.050 1.00 0.00 C ATOM 487 CD PRO A 41 9.088 2.217 -2.279 1.00 0.00 C ATOM 0 HA PRO A 41 10.271 -0.753 -1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.536 -0.694 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.265 0.071 -0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.268 1.317 -2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.180 1.928 -1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.026 2.805 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.271 2.917 -1.463 1.00 0.00 H new ATOM 495 N GLU A 42 10.164 -2.074 -3.526 1.00 0.00 N ATOM 496 CA GLU A 42 10.063 -2.878 -4.777 1.00 0.00 C ATOM 497 C GLU A 42 8.611 -3.313 -4.979 1.00 0.00 C ATOM 498 O GLU A 42 8.146 -3.489 -6.088 1.00 0.00 O ATOM 499 CB GLU A 42 10.961 -4.093 -4.547 1.00 0.00 C ATOM 500 CG GLU A 42 12.398 -3.630 -4.299 1.00 0.00 C ATOM 501 CD GLU A 42 13.324 -4.262 -5.341 1.00 0.00 C ATOM 502 OE1 GLU A 42 13.345 -3.773 -6.459 1.00 0.00 O ATOM 503 OE2 GLU A 42 13.995 -5.222 -5.003 1.00 0.00 O ATOM 0 H GLU A 42 10.760 -2.469 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 42 10.367 -2.320 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.601 -4.667 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.925 -4.753 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.456 -2.543 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.715 -3.914 -3.295 1.00 0.00 H new ATOM 510 N ARG A 43 7.893 -3.476 -3.903 1.00 0.00 N ATOM 511 CA ARG A 43 6.464 -3.889 -3.996 1.00 0.00 C ATOM 512 C ARG A 43 5.714 -3.401 -2.750 1.00 0.00 C ATOM 513 O ARG A 43 5.551 -4.139 -1.800 1.00 0.00 O ATOM 514 CB ARG A 43 6.492 -5.417 -4.045 1.00 0.00 C ATOM 515 CG ARG A 43 6.914 -5.878 -5.440 1.00 0.00 C ATOM 516 CD ARG A 43 6.319 -7.259 -5.724 1.00 0.00 C ATOM 517 NE ARG A 43 7.267 -8.221 -5.098 1.00 0.00 N ATOM 518 CZ ARG A 43 6.826 -9.124 -4.266 1.00 0.00 C ATOM 519 NH1 ARG A 43 6.365 -10.258 -4.716 1.00 0.00 N ATOM 520 NH2 ARG A 43 6.844 -8.891 -2.981 1.00 0.00 N ATOM 0 H ARG A 43 8.239 -3.339 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 43 5.959 -3.471 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.186 -5.802 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.508 -5.817 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.574 -5.163 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.001 -5.918 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.320 -7.354 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.226 -7.436 -6.795 1.00 0.00 H new ATOM 0 HE ARG A 43 8.262 -8.174 -5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.349 -10.440 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.021 -10.963 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.203 -8.004 -2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.499 -9.596 -2.330 1.00 0.00 H new ATOM 534 N PRO A 44 5.292 -2.160 -2.790 1.00 0.00 N ATOM 535 CA PRO A 44 4.569 -1.569 -1.636 1.00 0.00 C ATOM 536 C PRO A 44 3.176 -2.184 -1.487 1.00 0.00 C ATOM 537 O PRO A 44 2.644 -2.274 -0.397 1.00 0.00 O ATOM 538 CB PRO A 44 4.478 -0.085 -1.992 1.00 0.00 C ATOM 539 CG PRO A 44 4.575 -0.040 -3.482 1.00 0.00 C ATOM 540 CD PRO A 44 5.441 -1.202 -3.895 1.00 0.00 C ATOM 0 HA PRO A 44 5.072 -1.747 -0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.540 0.348 -1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.283 0.483 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.587 -0.113 -3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.009 0.903 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.112 -1.629 -4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.480 -0.900 -4.025 1.00 0.00 H new ATOM 548 N MET A 45 2.574 -2.606 -2.564 1.00 0.00 N ATOM 549 CA MET A 45 1.215 -3.208 -2.460 1.00 0.00 C ATOM 550 C MET A 45 1.226 -4.374 -1.463 1.00 0.00 C ATOM 551 O MET A 45 0.351 -4.495 -0.629 1.00 0.00 O ATOM 552 CB MET A 45 0.871 -3.692 -3.872 1.00 0.00 C ATOM 553 CG MET A 45 1.919 -4.700 -4.351 1.00 0.00 C ATOM 554 SD MET A 45 1.787 -4.900 -6.146 1.00 0.00 S ATOM 555 CE MET A 45 2.876 -6.335 -6.296 1.00 0.00 C ATOM 0 H MET A 45 2.961 -2.561 -3.507 1.00 0.00 H new ATOM 0 HA MET A 45 0.476 -2.494 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.117 -4.152 -3.877 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.831 -2.844 -4.556 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.918 -4.356 -4.085 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.770 -5.659 -3.855 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.409 -7.081 -6.939 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.827 -6.026 -6.730 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.050 -6.765 -5.309 1.00 0.00 H new ATOM 565 N ALA A 46 2.214 -5.227 -1.534 1.00 0.00 N ATOM 566 CA ALA A 46 2.277 -6.376 -0.583 1.00 0.00 C ATOM 567 C ALA A 46 3.098 -5.995 0.654 1.00 0.00 C ATOM 568 O ALA A 46 2.919 -6.545 1.722 1.00 0.00 O ATOM 569 CB ALA A 46 2.964 -7.498 -1.359 1.00 0.00 C ATOM 0 H ALA A 46 2.978 -5.178 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 46 1.290 -6.673 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.048 -8.381 -0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.376 -7.741 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.959 -7.174 -1.663 1.00 0.00 H new ATOM 575 N PHE A 47 4.002 -5.063 0.512 1.00 0.00 N ATOM 576 CA PHE A 47 4.846 -4.651 1.673 1.00 0.00 C ATOM 577 C PHE A 47 3.980 -4.370 2.906 1.00 0.00 C ATOM 578 O PHE A 47 4.295 -4.788 4.002 1.00 0.00 O ATOM 579 CB PHE A 47 5.555 -3.375 1.213 1.00 0.00 C ATOM 580 CG PHE A 47 6.475 -2.888 2.305 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.619 -3.641 2.654 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.192 -1.680 2.981 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.480 -3.185 3.677 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.051 -1.223 4.004 1.00 0.00 C ATOM 585 CZ PHE A 47 8.197 -1.975 4.352 1.00 0.00 C ATOM 0 H PHE A 47 4.193 -4.568 -0.359 1.00 0.00 H new ATOM 0 HA PHE A 47 5.549 -5.432 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.124 -3.570 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.821 -2.606 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.835 -4.565 2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.317 -1.105 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.354 -3.760 3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.833 -0.300 4.520 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.856 -1.625 5.133 1.00 0.00 H new ATOM 595 N LEU A 48 2.894 -3.663 2.740 1.00 0.00 N ATOM 596 CA LEU A 48 2.017 -3.358 3.910 1.00 0.00 C ATOM 597 C LEU A 48 1.688 -4.642 4.678 1.00 0.00 C ATOM 598 O LEU A 48 1.668 -4.664 5.895 1.00 0.00 O ATOM 599 CB LEU A 48 0.751 -2.749 3.310 1.00 0.00 C ATOM 600 CG LEU A 48 0.076 -1.849 4.347 1.00 0.00 C ATOM 601 CD1 LEU A 48 0.819 -0.514 4.427 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.379 -1.602 3.941 1.00 0.00 C ATOM 0 H LEU A 48 2.576 -3.284 1.848 1.00 0.00 H new ATOM 0 HA LEU A 48 2.496 -2.682 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.999 -2.172 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.067 -3.539 2.998 1.00 0.00 H new ATOM 0 HG LEU A 48 0.102 -2.337 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.338 0.127 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.854 -0.691 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.795 -0.026 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.859 -0.961 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.407 -1.116 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.908 -2.553 3.887 1.00 0.00 H new ATOM 614 N ARG A 49 1.431 -5.714 3.978 1.00 0.00 N ATOM 615 CA ARG A 49 1.106 -6.995 4.669 1.00 0.00 C ATOM 616 C ARG A 49 2.287 -7.435 5.538 1.00 0.00 C ATOM 617 O ARG A 49 2.163 -7.596 6.736 1.00 0.00 O ATOM 618 CB ARG A 49 0.860 -8.002 3.543 1.00 0.00 C ATOM 619 CG ARG A 49 0.645 -9.396 4.137 1.00 0.00 C ATOM 620 CD ARG A 49 0.268 -10.375 3.023 1.00 0.00 C ATOM 621 NE ARG A 49 1.481 -11.215 2.822 1.00 0.00 N ATOM 622 CZ ARG A 49 1.357 -12.470 2.484 1.00 0.00 C ATOM 623 NH1 ARG A 49 0.787 -13.311 3.302 1.00 0.00 N ATOM 624 NH2 ARG A 49 1.803 -12.883 1.330 1.00 0.00 N ATOM 0 H ARG A 49 1.432 -5.758 2.959 1.00 0.00 H new ATOM 0 HA ARG A 49 0.242 -6.905 5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.013 -7.705 2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.710 -8.014 2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.552 -9.732 4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.143 -9.364 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.591 -10.983 3.306 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.003 -9.847 2.109 1.00 0.00 H new ATOM 0 HE ARG A 49 2.409 -10.810 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.439 -12.988 4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.690 -14.292 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.249 -12.225 0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.706 -13.864 1.067 1.00 0.00 H new ATOM 638 N GLU A 50 3.433 -7.626 4.942 1.00 0.00 N ATOM 639 CA GLU A 50 4.623 -8.052 5.736 1.00 0.00 C ATOM 640 C GLU A 50 5.176 -6.875 6.553 1.00 0.00 C ATOM 641 O GLU A 50 6.095 -7.032 7.331 1.00 0.00 O ATOM 642 CB GLU A 50 5.647 -8.510 4.696 1.00 0.00 C ATOM 643 CG GLU A 50 5.686 -10.038 4.655 1.00 0.00 C ATOM 644 CD GLU A 50 6.900 -10.495 3.844 1.00 0.00 C ATOM 645 OE1 GLU A 50 7.933 -9.855 3.950 1.00 0.00 O ATOM 646 OE2 GLU A 50 6.777 -11.477 3.132 1.00 0.00 O ATOM 0 H GLU A 50 3.597 -7.506 3.942 1.00 0.00 H new ATOM 0 HA GLU A 50 4.380 -8.840 6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.385 -8.116 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.633 -8.117 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.740 -10.438 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.770 -10.424 4.208 1.00 0.00 H new ATOM 653 N TYR A 51 4.627 -5.700 6.385 1.00 0.00 N ATOM 654 CA TYR A 51 5.131 -4.528 7.154 1.00 0.00 C ATOM 655 C TYR A 51 4.698 -4.631 8.622 1.00 0.00 C ATOM 656 O TYR A 51 5.502 -4.871 9.500 1.00 0.00 O ATOM 657 CB TYR A 51 4.490 -3.310 6.473 1.00 0.00 C ATOM 658 CG TYR A 51 4.715 -2.071 7.311 1.00 0.00 C ATOM 659 CD1 TYR A 51 5.959 -1.405 7.275 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.675 -1.581 8.132 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.165 -0.249 8.060 1.00 0.00 C ATOM 662 CE2 TYR A 51 3.880 -0.425 8.918 1.00 0.00 C ATOM 663 CZ TYR A 51 5.125 0.242 8.882 1.00 0.00 C ATOM 664 OH TYR A 51 5.327 1.369 9.649 1.00 0.00 O ATOM 0 H TYR A 51 3.854 -5.503 5.750 1.00 0.00 H new ATOM 0 HA TYR A 51 6.219 -4.464 7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.919 -3.171 5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.422 -3.479 6.338 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.754 -1.780 6.647 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.723 -2.090 8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.117 0.260 8.032 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.085 -0.051 9.546 1.00 0.00 H new ATOM 0 HH TYR A 51 4.461 1.755 9.898 1.00 0.00 H new ATOM 674 N PHE A 52 3.434 -4.444 8.896 1.00 0.00 N ATOM 675 CA PHE A 52 2.965 -4.523 10.309 1.00 0.00 C ATOM 676 C PHE A 52 2.877 -5.981 10.767 1.00 0.00 C ATOM 677 O PHE A 52 2.950 -6.276 11.943 1.00 0.00 O ATOM 678 CB PHE A 52 1.582 -3.875 10.311 1.00 0.00 C ATOM 679 CG PHE A 52 1.404 -3.085 11.583 1.00 0.00 C ATOM 680 CD1 PHE A 52 1.042 -3.742 12.780 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.603 -1.685 11.578 1.00 0.00 C ATOM 682 CE1 PHE A 52 0.877 -3.001 13.972 1.00 0.00 C ATOM 683 CE2 PHE A 52 1.438 -0.946 12.771 1.00 0.00 C ATOM 684 CZ PHE A 52 1.076 -1.602 13.966 1.00 0.00 C ATOM 0 H PHE A 52 2.710 -4.241 8.206 1.00 0.00 H new ATOM 0 HA PHE A 52 3.650 -4.021 10.993 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.473 -3.222 9.445 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.809 -4.640 10.233 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.891 -4.811 12.784 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.881 -1.181 10.664 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.599 -3.503 14.887 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.589 0.123 12.768 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.951 -1.035 14.877 1.00 0.00 H new ATOM 694 N GLU A 53 2.726 -6.897 9.849 1.00 0.00 N ATOM 695 CA GLU A 53 2.637 -8.333 10.242 1.00 0.00 C ATOM 696 C GLU A 53 3.900 -8.753 10.999 1.00 0.00 C ATOM 697 O GLU A 53 3.846 -9.148 12.146 1.00 0.00 O ATOM 698 CB GLU A 53 2.520 -9.099 8.921 1.00 0.00 C ATOM 699 CG GLU A 53 2.554 -10.605 9.196 1.00 0.00 C ATOM 700 CD GLU A 53 2.281 -11.368 7.899 1.00 0.00 C ATOM 701 OE1 GLU A 53 2.830 -10.982 6.881 1.00 0.00 O ATOM 702 OE2 GLU A 53 1.527 -12.327 7.946 1.00 0.00 O ATOM 0 H GLU A 53 2.661 -6.714 8.848 1.00 0.00 H new ATOM 0 HA GLU A 53 1.792 -8.530 10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.592 -8.832 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.337 -8.822 8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.526 -10.890 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.808 -10.865 9.947 1.00 0.00 H new ATOM 709 N LYS A 54 5.038 -8.670 10.364 1.00 0.00 N ATOM 710 CA LYS A 54 6.305 -9.068 11.046 1.00 0.00 C ATOM 711 C LYS A 54 6.619 -8.105 12.196 1.00 0.00 C ATOM 712 O LYS A 54 7.261 -8.467 13.161 1.00 0.00 O ATOM 713 CB LYS A 54 7.383 -8.978 9.964 1.00 0.00 C ATOM 714 CG LYS A 54 7.858 -10.385 9.598 1.00 0.00 C ATOM 715 CD LYS A 54 7.762 -10.579 8.084 1.00 0.00 C ATOM 716 CE LYS A 54 8.925 -9.854 7.401 1.00 0.00 C ATOM 717 NZ LYS A 54 9.933 -10.917 7.129 1.00 0.00 N ATOM 0 H LYS A 54 5.146 -8.344 9.403 1.00 0.00 H new ATOM 0 HA LYS A 54 6.241 -10.066 11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.986 -8.476 9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.222 -8.381 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.886 -10.531 9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.249 -11.130 10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.788 -11.641 7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.812 -10.191 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.602 -9.370 6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.336 -9.075 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.762 -10.498 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.226 -11.355 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.515 -11.641 6.510 1.00 0.00 H new ATOM 731 N LEU A 55 6.173 -6.882 12.096 1.00 0.00 N ATOM 732 CA LEU A 55 6.450 -5.894 13.184 1.00 0.00 C ATOM 733 C LEU A 55 6.074 -6.479 14.549 1.00 0.00 C ATOM 734 O LEU A 55 6.761 -6.279 15.531 1.00 0.00 O ATOM 735 CB LEU A 55 5.566 -4.690 12.858 1.00 0.00 C ATOM 736 CG LEU A 55 6.446 -3.469 12.588 1.00 0.00 C ATOM 737 CD1 LEU A 55 5.666 -2.449 11.754 1.00 0.00 C ATOM 738 CD2 LEU A 55 6.852 -2.830 13.921 1.00 0.00 C ATOM 0 H LEU A 55 5.630 -6.523 11.311 1.00 0.00 H new ATOM 0 HA LEU A 55 7.506 -5.627 13.236 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.947 -4.905 11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.889 -4.487 13.688 1.00 0.00 H new ATOM 0 HG LEU A 55 7.338 -3.778 12.043 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.294 -1.579 11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.373 -2.901 10.806 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.774 -2.139 12.299 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.480 -1.959 13.731 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.958 -2.522 14.464 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.407 -3.554 14.517 1.00 0.00 H new ATOM 750 N GLU A 56 4.986 -7.199 14.620 1.00 0.00 N ATOM 751 CA GLU A 56 4.571 -7.791 15.925 1.00 0.00 C ATOM 752 C GLU A 56 5.493 -8.955 16.298 1.00 0.00 C ATOM 753 O GLU A 56 5.681 -9.262 17.458 1.00 0.00 O ATOM 754 CB GLU A 56 3.143 -8.291 15.696 1.00 0.00 C ATOM 755 CG GLU A 56 2.222 -7.729 16.783 1.00 0.00 C ATOM 756 CD GLU A 56 0.997 -7.083 16.131 1.00 0.00 C ATOM 757 OE1 GLU A 56 0.325 -7.764 15.374 1.00 0.00 O ATOM 758 OE2 GLU A 56 0.754 -5.918 16.398 1.00 0.00 O ATOM 0 H GLU A 56 4.369 -7.402 13.834 1.00 0.00 H new ATOM 0 HA GLU A 56 4.626 -7.070 16.741 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.792 -7.981 14.712 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.121 -9.381 15.714 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.910 -8.526 17.458 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.757 -6.994 17.384 1.00 0.00 H new ATOM 765 N LYS A 57 6.068 -9.605 15.324 1.00 0.00 N ATOM 766 CA LYS A 57 6.977 -10.748 15.627 1.00 0.00 C ATOM 767 C LYS A 57 8.400 -10.242 15.881 1.00 0.00 C ATOM 768 O LYS A 57 9.164 -10.848 16.605 1.00 0.00 O ATOM 769 CB LYS A 57 6.935 -11.632 14.380 1.00 0.00 C ATOM 770 CG LYS A 57 6.307 -12.981 14.730 1.00 0.00 C ATOM 771 CD LYS A 57 4.839 -12.989 14.300 1.00 0.00 C ATOM 772 CE LYS A 57 4.280 -14.409 14.412 1.00 0.00 C ATOM 773 NZ LYS A 57 3.204 -14.321 15.437 1.00 0.00 N ATOM 0 H LYS A 57 5.949 -9.395 14.333 1.00 0.00 H new ATOM 0 HA LYS A 57 6.671 -11.292 16.521 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.358 -11.144 13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.943 -11.778 13.991 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.847 -13.786 14.231 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.384 -13.162 15.802 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.262 -12.310 14.927 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.748 -12.631 13.274 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.887 -14.755 13.456 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.054 -15.115 14.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.773 -15.258 15.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.609 -13.996 16.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.478 -13.647 15.121 1.00 0.00 H new ATOM 787 N GLU A 58 8.760 -9.135 15.290 1.00 0.00 N ATOM 788 CA GLU A 58 10.134 -8.593 15.499 1.00 0.00 C ATOM 789 C GLU A 58 10.294 -8.101 16.940 1.00 0.00 C ATOM 790 O GLU A 58 11.310 -8.323 17.571 1.00 0.00 O ATOM 791 CB GLU A 58 10.251 -7.426 14.517 1.00 0.00 C ATOM 792 CG GLU A 58 10.867 -7.919 13.208 1.00 0.00 C ATOM 793 CD GLU A 58 11.824 -6.856 12.661 1.00 0.00 C ATOM 794 OE1 GLU A 58 12.572 -6.300 13.448 1.00 0.00 O ATOM 795 OE2 GLU A 58 11.793 -6.620 11.465 1.00 0.00 O ATOM 0 H GLU A 58 8.164 -8.583 14.673 1.00 0.00 H new ATOM 0 HA GLU A 58 10.906 -9.345 15.333 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.267 -6.996 14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.868 -6.636 14.946 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.402 -8.854 13.375 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.083 -8.126 12.480 1.00 0.00 H new ATOM 922 N CYS B 16 12.719 14.088 2.223 1.00 0.00 N ATOM 923 CA CYS B 16 11.927 12.998 2.865 1.00 0.00 C ATOM 924 C CYS B 16 10.540 13.508 3.274 1.00 0.00 C ATOM 925 O CYS B 16 9.781 12.810 3.917 1.00 0.00 O ATOM 926 CB CYS B 16 12.734 12.594 4.100 1.00 0.00 C ATOM 927 SG CYS B 16 11.954 11.159 4.884 1.00 0.00 S ATOM 0 HA CYS B 16 11.766 12.159 2.188 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.759 12.355 3.816 1.00 0.00 H new ATOM 0 HB3 CYS B 16 12.783 13.425 4.804 1.00 0.00 H new ATOM 932 N GLU B 17 10.196 14.716 2.906 1.00 0.00 N ATOM 933 CA GLU B 17 8.853 15.253 3.276 1.00 0.00 C ATOM 934 C GLU B 17 7.834 14.941 2.177 1.00 0.00 C ATOM 935 O GLU B 17 6.822 14.314 2.415 1.00 0.00 O ATOM 936 CB GLU B 17 9.052 16.761 3.413 1.00 0.00 C ATOM 937 CG GLU B 17 9.167 17.130 4.893 1.00 0.00 C ATOM 938 CD GLU B 17 7.827 16.886 5.586 1.00 0.00 C ATOM 939 OE1 GLU B 17 6.808 17.040 4.933 1.00 0.00 O ATOM 940 OE2 GLU B 17 7.840 16.549 6.760 1.00 0.00 O ATOM 0 H GLU B 17 10.785 15.351 2.367 1.00 0.00 H new ATOM 0 HA GLU B 17 8.471 14.808 4.195 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.951 17.069 2.880 1.00 0.00 H new ATOM 0 HB3 GLU B 17 8.215 17.291 2.959 1.00 0.00 H new ATOM 0 HG2 GLU B 17 9.947 16.535 5.367 1.00 0.00 H new ATOM 0 HG3 GLU B 17 9.457 18.176 4.996 1.00 0.00 H new ATOM 947 N LEU B 18 8.093 15.384 0.975 1.00 0.00 N ATOM 948 CA LEU B 18 7.138 15.120 -0.139 1.00 0.00 C ATOM 949 C LEU B 18 7.389 13.740 -0.760 1.00 0.00 C ATOM 950 O LEU B 18 6.770 13.372 -1.739 1.00 0.00 O ATOM 951 CB LEU B 18 7.415 16.223 -1.161 1.00 0.00 C ATOM 952 CG LEU B 18 6.784 17.533 -0.681 1.00 0.00 C ATOM 953 CD1 LEU B 18 7.440 18.711 -1.406 1.00 0.00 C ATOM 954 CD2 LEU B 18 5.284 17.519 -0.985 1.00 0.00 C ATOM 0 H LEU B 18 8.924 15.917 0.717 1.00 0.00 H new ATOM 0 HA LEU B 18 6.103 15.121 0.203 1.00 0.00 H new ATOM 0 HB2 LEU B 18 8.490 16.351 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU B 18 7.007 15.945 -2.132 1.00 0.00 H new ATOM 0 HG LEU B 18 6.936 17.637 0.393 1.00 0.00 H new ATOM 0 HD11 LEU B 18 6.991 19.644 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU B 18 8.508 18.722 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU B 18 7.288 18.607 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU B 18 4.835 18.451 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU B 18 5.131 17.415 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU B 18 4.816 16.680 -0.469 1.00 0.00 H new ATOM 966 N TYR B 19 8.290 12.969 -0.207 1.00 0.00 N ATOM 967 CA TYR B 19 8.570 11.619 -0.779 1.00 0.00 C ATOM 968 C TYR B 19 7.258 10.848 -0.996 1.00 0.00 C ATOM 969 O TYR B 19 7.116 10.097 -1.941 1.00 0.00 O ATOM 970 CB TYR B 19 9.464 10.920 0.263 1.00 0.00 C ATOM 971 CG TYR B 19 8.644 10.452 1.450 1.00 0.00 C ATOM 972 CD1 TYR B 19 8.137 11.391 2.379 1.00 0.00 C ATOM 973 CD2 TYR B 19 8.382 9.075 1.626 1.00 0.00 C ATOM 974 CE1 TYR B 19 7.373 10.949 3.481 1.00 0.00 C ATOM 975 CE2 TYR B 19 7.618 8.637 2.727 1.00 0.00 C ATOM 976 CZ TYR B 19 7.113 9.573 3.657 1.00 0.00 C ATOM 977 OH TYR B 19 6.367 9.141 4.733 1.00 0.00 O ATOM 0 H TYR B 19 8.843 13.216 0.614 1.00 0.00 H new ATOM 0 HA TYR B 19 9.058 11.673 -1.752 1.00 0.00 H new ATOM 0 HB2 TYR B 19 9.967 10.069 -0.196 1.00 0.00 H new ATOM 0 HB3 TYR B 19 10.241 11.606 0.600 1.00 0.00 H new ATOM 0 HD1 TYR B 19 8.334 12.444 2.245 1.00 0.00 H new ATOM 0 HD2 TYR B 19 8.767 8.357 0.917 1.00 0.00 H new ATOM 0 HE1 TYR B 19 6.987 11.665 4.191 1.00 0.00 H new ATOM 0 HE2 TYR B 19 7.418 7.584 2.860 1.00 0.00 H new ATOM 0 HH TYR B 19 5.724 9.836 4.985 1.00 0.00 H new ATOM 987 N VAL B 20 6.309 11.028 -0.121 1.00 0.00 N ATOM 988 CA VAL B 20 5.014 10.307 -0.269 1.00 0.00 C ATOM 989 C VAL B 20 4.096 11.050 -1.240 1.00 0.00 C ATOM 990 O VAL B 20 3.025 11.497 -0.879 1.00 0.00 O ATOM 991 CB VAL B 20 4.407 10.285 1.135 1.00 0.00 C ATOM 992 CG1 VAL B 20 4.146 11.719 1.602 1.00 0.00 C ATOM 993 CG2 VAL B 20 3.087 9.512 1.108 1.00 0.00 C ATOM 0 H VAL B 20 6.374 11.643 0.690 1.00 0.00 H new ATOM 0 HA VAL B 20 5.148 9.303 -0.671 1.00 0.00 H new ATOM 0 HB VAL B 20 5.100 9.799 1.822 1.00 0.00 H new ATOM 0 HG11 VAL B 20 3.713 11.703 2.602 1.00 0.00 H new ATOM 0 HG12 VAL B 20 5.085 12.272 1.622 1.00 0.00 H new ATOM 0 HG13 VAL B 20 3.453 12.205 0.915 1.00 0.00 H new ATOM 0 HG21 VAL B 20 2.654 9.496 2.108 1.00 0.00 H new ATOM 0 HG22 VAL B 20 2.395 9.998 0.421 1.00 0.00 H new ATOM 0 HG23 VAL B 20 3.270 8.490 0.776 1.00 0.00 H new ATOM 1003 N GLN B 21 4.502 11.179 -2.473 1.00 0.00 N ATOM 1004 CA GLN B 21 3.645 11.886 -3.464 1.00 0.00 C ATOM 1005 C GLN B 21 2.492 10.980 -3.895 1.00 0.00 C ATOM 1006 O GLN B 21 2.167 10.016 -3.228 1.00 0.00 O ATOM 1007 CB GLN B 21 4.567 12.187 -4.646 1.00 0.00 C ATOM 1008 CG GLN B 21 4.632 13.699 -4.873 1.00 0.00 C ATOM 1009 CD GLN B 21 5.106 13.983 -6.300 1.00 0.00 C ATOM 1010 OE1 GLN B 21 5.950 13.281 -6.822 1.00 0.00 O ATOM 1011 NE2 GLN B 21 4.598 14.990 -6.954 1.00 0.00 N ATOM 0 H GLN B 21 5.388 10.826 -2.836 1.00 0.00 H new ATOM 0 HA GLN B 21 3.202 12.795 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.565 11.795 -4.451 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.199 11.690 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN B 21 3.651 14.144 -4.709 1.00 0.00 H new ATOM 0 HG3 GLN B 21 5.313 14.156 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.890 15.578 -6.515 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.909 15.190 -7.905 1.00 0.00 H new ATOM 1020 N LYS B 22 1.873 11.270 -5.005 1.00 0.00 N ATOM 1021 CA LYS B 22 0.746 10.414 -5.473 1.00 0.00 C ATOM 1022 C LYS B 22 1.285 9.062 -5.947 1.00 0.00 C ATOM 1023 O LYS B 22 1.181 8.713 -7.107 1.00 0.00 O ATOM 1024 CB LYS B 22 0.120 11.183 -6.639 1.00 0.00 C ATOM 1025 CG LYS B 22 -0.996 12.088 -6.111 1.00 0.00 C ATOM 1026 CD LYS B 22 -1.881 12.539 -7.274 1.00 0.00 C ATOM 1027 CE LYS B 22 -1.549 13.989 -7.638 1.00 0.00 C ATOM 1028 NZ LYS B 22 -2.259 14.235 -8.923 1.00 0.00 N ATOM 0 H LYS B 22 2.098 12.061 -5.608 1.00 0.00 H new ATOM 0 HA LYS B 22 0.019 10.213 -4.686 1.00 0.00 H new ATOM 0 HB2 LYS B 22 0.879 11.780 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.280 10.486 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.593 11.554 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.568 12.955 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -1.724 11.891 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.932 12.454 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -1.885 14.678 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -0.474 14.132 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -2.080 15.210 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -1.913 13.569 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.281 14.098 -8.787 1.00 0.00 H new ATOM 1042 N HIS B 23 1.870 8.303 -5.060 1.00 0.00 N ATOM 1043 CA HIS B 23 2.425 6.980 -5.463 1.00 0.00 C ATOM 1044 C HIS B 23 2.799 6.157 -4.228 1.00 0.00 C ATOM 1045 O HIS B 23 2.467 4.994 -4.118 1.00 0.00 O ATOM 1046 CB HIS B 23 3.680 7.316 -6.268 1.00 0.00 C ATOM 1047 CG HIS B 23 4.231 6.063 -6.890 1.00 0.00 C ATOM 1048 ND1 HIS B 23 5.401 6.060 -7.632 1.00 0.00 N ATOM 1049 CD2 HIS B 23 3.782 4.767 -6.890 1.00 0.00 C ATOM 1050 CE1 HIS B 23 5.616 4.799 -8.045 1.00 0.00 C ATOM 1051 NE2 HIS B 23 4.658 3.968 -7.622 1.00 0.00 N ATOM 0 H HIS B 23 1.987 8.542 -4.075 1.00 0.00 H new ATOM 0 HA HIS B 23 1.707 6.390 -6.033 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.443 8.045 -7.043 1.00 0.00 H new ATOM 0 HB3 HIS B 23 4.429 7.772 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS B 23 2.886 4.419 -6.398 1.00 0.00 H new ATOM 0 HE1 HIS B 23 6.460 4.494 -8.646 1.00 0.00 H new ATOM 0 HE2 HIS B 23 4.584 2.966 -7.797 1.00 0.00 H new ATOM 1059 N ASN B 24 3.497 6.755 -3.304 1.00 0.00 N ATOM 1060 CA ASN B 24 3.911 6.017 -2.076 1.00 0.00 C ATOM 1061 C ASN B 24 2.681 5.572 -1.269 1.00 0.00 C ATOM 1062 O ASN B 24 1.689 5.141 -1.824 1.00 0.00 O ATOM 1063 CB ASN B 24 4.751 7.027 -1.295 1.00 0.00 C ATOM 1064 CG ASN B 24 5.817 6.287 -0.483 1.00 0.00 C ATOM 1065 OD1 ASN B 24 5.922 6.469 0.713 1.00 0.00 O ATOM 1066 ND2 ASN B 24 6.617 5.455 -1.090 1.00 0.00 N ATOM 0 H ASN B 24 3.801 7.728 -3.346 1.00 0.00 H new ATOM 0 HA ASN B 24 4.466 5.106 -2.300 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.224 7.730 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.113 7.610 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN B 24 7.332 4.956 -0.560 1.00 0.00 H new ATOM 0 HD22 ASN B 24 6.528 5.303 -2.095 1.00 0.00 H new ATOM 1073 N ILE B 25 2.737 5.661 0.038 1.00 0.00 N ATOM 1074 CA ILE B 25 1.574 5.233 0.869 1.00 0.00 C ATOM 1075 C ILE B 25 0.310 6.001 0.467 1.00 0.00 C ATOM 1076 O ILE B 25 -0.793 5.598 0.774 1.00 0.00 O ATOM 1077 CB ILE B 25 1.960 5.569 2.315 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.266 4.855 2.703 1.00 0.00 C ATOM 1079 CG2 ILE B 25 0.844 5.116 3.256 1.00 0.00 C ATOM 1080 CD1 ILE B 25 3.160 3.356 2.405 1.00 0.00 C ATOM 0 H ILE B 25 3.538 6.012 0.563 1.00 0.00 H new ATOM 0 HA ILE B 25 1.357 4.173 0.739 1.00 0.00 H new ATOM 0 HB ILE B 25 2.106 6.646 2.397 1.00 0.00 H new ATOM 0 HG12 ILE B 25 4.102 5.285 2.150 1.00 0.00 H new ATOM 0 HG13 ILE B 25 3.472 5.009 3.762 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.116 5.354 4.284 1.00 0.00 H new ATOM 0 HG22 ILE B 25 -0.081 5.631 2.997 1.00 0.00 H new ATOM 0 HG23 ILE B 25 0.700 4.040 3.158 1.00 0.00 H new ATOM 0 HD11 ILE B 25 4.091 2.863 2.684 1.00 0.00 H new ATOM 0 HD12 ILE B 25 2.337 2.929 2.978 1.00 0.00 H new ATOM 0 HD13 ILE B 25 2.976 3.209 1.341 1.00 0.00 H new ATOM 1092 N GLN B 26 0.459 7.110 -0.214 1.00 0.00 N ATOM 1093 CA GLN B 26 -0.737 7.904 -0.630 1.00 0.00 C ATOM 1094 C GLN B 26 -1.796 6.994 -1.267 1.00 0.00 C ATOM 1095 O GLN B 26 -2.983 7.220 -1.132 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.212 8.908 -1.657 1.00 0.00 C ATOM 1097 CG GLN B 26 -0.971 10.229 -1.516 1.00 0.00 C ATOM 1098 CD GLN B 26 -2.378 10.074 -2.093 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -2.564 10.116 -3.293 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -3.385 9.895 -1.285 1.00 0.00 N ATOM 0 H GLN B 26 1.357 7.499 -0.500 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.213 8.395 0.219 1.00 0.00 H new ATOM 0 HB2 GLN B 26 0.855 9.072 -1.508 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -0.336 8.511 -2.665 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -1.027 10.518 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -0.438 11.024 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -3.230 9.860 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -4.328 9.790 -1.660 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.377 5.969 -1.955 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.361 5.049 -2.592 1.00 0.00 C ATOM 1111 C ALA B 27 -2.922 4.075 -1.551 1.00 0.00 C ATOM 1112 O ALA B 27 -4.057 3.646 -1.634 1.00 0.00 O ATOM 1113 CB ALA B 27 -1.568 4.292 -3.661 1.00 0.00 C ATOM 0 H ALA B 27 -0.397 5.728 -2.104 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.209 5.584 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -2.227 3.593 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -1.158 5.001 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.753 3.743 -3.189 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.137 3.727 -0.568 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.624 2.785 0.481 1.00 0.00 C ATOM 1121 C LEU B 28 -3.477 3.537 1.506 1.00 0.00 C ATOM 1122 O LEU B 28 -4.452 3.021 2.018 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.356 2.234 1.136 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.609 1.349 0.139 1.00 0.00 C ATOM 1125 CD1 LEU B 28 0.696 2.030 -0.276 1.00 0.00 C ATOM 1126 CD2 LEU B 28 -0.292 0.001 0.794 1.00 0.00 C ATOM 0 H LEU B 28 -1.179 4.054 -0.446 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.247 1.991 0.070 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.716 3.054 1.461 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.614 1.660 2.026 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.231 1.192 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.227 1.397 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.473 2.990 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.319 2.189 0.604 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.241 -0.632 0.084 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.330 0.162 1.675 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -1.221 -0.487 1.089 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.117 4.754 1.808 1.00 0.00 N ATOM 1139 CA LEU B 29 -3.905 5.542 2.799 1.00 0.00 C ATOM 1140 C LEU B 29 -5.234 5.988 2.184 1.00 0.00 C ATOM 1141 O LEU B 29 -6.237 6.102 2.861 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.033 6.755 3.123 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.556 6.671 4.574 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -3.767 6.686 5.510 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -1.770 5.373 4.779 1.00 0.00 C ATOM 0 H LEU B 29 -2.311 5.238 1.412 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.146 4.962 3.690 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.177 6.790 2.450 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.598 7.674 2.968 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.914 7.524 4.795 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -3.428 6.626 6.544 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -4.328 7.609 5.365 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -4.409 5.833 5.288 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.430 5.313 5.813 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.412 4.520 4.558 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.908 5.361 4.112 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.247 6.242 0.903 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.508 6.683 0.234 1.00 0.00 C ATOM 1159 C LYS B 30 -7.672 5.765 0.625 1.00 0.00 C ATOM 1160 O LYS B 30 -8.583 6.164 1.324 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.218 6.572 -1.263 1.00 0.00 C ATOM 1162 CG LYS B 30 -7.478 6.918 -2.057 1.00 0.00 C ATOM 1163 CD LYS B 30 -7.120 7.083 -3.536 1.00 0.00 C ATOM 1164 CE LYS B 30 -7.900 8.260 -4.121 1.00 0.00 C ATOM 1165 NZ LYS B 30 -6.893 9.344 -4.287 1.00 0.00 N ATOM 0 H LYS B 30 -4.437 6.163 0.288 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.795 7.694 0.523 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.407 7.246 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -5.889 5.562 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -8.223 6.132 -1.938 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -7.921 7.837 -1.674 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -6.049 7.253 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -7.355 6.170 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -8.357 7.996 -5.075 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -8.707 8.569 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -7.353 10.187 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -6.480 9.579 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -6.141 9.024 -4.930 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.646 4.537 0.183 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.748 3.597 0.534 1.00 0.00 C ATOM 1181 C ASP B 31 -8.847 3.452 2.056 1.00 0.00 C ATOM 1182 O ASP B 31 -9.920 3.295 2.605 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.355 2.267 -0.108 1.00 0.00 C ATOM 1184 CG ASP B 31 -8.566 2.350 -1.621 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -9.709 2.458 -2.036 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -7.582 2.301 -2.340 1.00 0.00 O ATOM 0 H ASP B 31 -6.911 4.145 -0.405 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.719 3.945 0.182 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.312 2.038 0.113 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.954 1.458 0.310 1.00 0.00 H new ATOM 1191 N SER B 32 -7.737 3.505 2.738 1.00 0.00 N ATOM 1192 CA SER B 32 -7.768 3.372 4.223 1.00 0.00 C ATOM 1193 C SER B 32 -8.642 4.470 4.833 1.00 0.00 C ATOM 1194 O SER B 32 -9.516 4.209 5.635 1.00 0.00 O ATOM 1195 CB SER B 32 -6.314 3.534 4.668 1.00 0.00 C ATOM 1196 OG SER B 32 -5.785 2.262 5.017 1.00 0.00 O ATOM 0 H SER B 32 -6.810 3.635 2.333 1.00 0.00 H new ATOM 0 HA SER B 32 -8.187 2.418 4.543 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.724 3.979 3.867 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.256 4.211 5.520 1.00 0.00 H new ATOM 0 HG SER B 32 -5.643 1.733 4.205 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.415 5.698 4.455 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.233 6.815 5.010 1.00 0.00 C ATOM 1204 C ILE B 33 -10.724 6.515 4.827 1.00 0.00 C ATOM 1205 O ILE B 33 -11.534 6.789 5.693 1.00 0.00 O ATOM 1206 CB ILE B 33 -8.826 8.044 4.196 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.364 8.386 4.487 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -9.708 9.234 4.581 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -6.818 9.285 3.377 1.00 0.00 C ATOM 0 H ILE B 33 -7.698 5.977 3.785 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.067 6.962 6.077 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.950 7.829 3.135 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.282 8.890 5.450 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -6.772 7.473 4.554 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -9.415 10.108 3.999 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -10.751 8.995 4.376 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -9.587 9.448 5.643 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -5.776 9.528 3.585 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -6.885 8.765 2.421 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.403 10.204 3.332 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.093 5.955 3.709 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.531 5.638 3.472 1.00 0.00 C ATOM 1223 C VAL B 34 -13.082 4.780 4.615 1.00 0.00 C ATOM 1224 O VAL B 34 -14.129 5.058 5.164 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.554 4.858 2.158 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -14.001 4.521 1.789 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.934 5.713 1.050 1.00 0.00 C ATOM 0 H VAL B 34 -10.462 5.703 2.948 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.148 6.536 3.425 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.984 3.936 2.272 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -14.017 3.965 0.852 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.446 3.915 2.578 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.571 5.443 1.674 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.949 5.159 0.111 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.507 6.634 0.937 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.904 5.956 1.311 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.384 3.737 4.977 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.870 2.860 6.081 1.00 0.00 C ATOM 1239 C GLN B 35 -12.448 3.426 7.440 1.00 0.00 C ATOM 1240 O GLN B 35 -13.207 3.416 8.388 1.00 0.00 O ATOM 1241 CB GLN B 35 -12.205 1.507 5.833 1.00 0.00 C ATOM 1242 CG GLN B 35 -13.083 0.667 4.902 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.236 -0.424 4.245 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -11.650 -1.246 4.923 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -12.148 -0.468 2.945 1.00 0.00 N ATOM 0 H GLN B 35 -11.499 3.455 4.556 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.957 2.784 6.097 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -11.220 1.650 5.389 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -12.056 0.985 6.778 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -13.901 0.217 5.465 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -13.533 1.302 4.138 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.640 0.222 2.377 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.587 -1.192 2.496 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.241 3.916 7.546 1.00 0.00 N ATOM 1255 CA LEU B 36 -10.785 4.476 8.849 1.00 0.00 C ATOM 1256 C LEU B 36 -11.534 5.772 9.172 1.00 0.00 C ATOM 1257 O LEU B 36 -11.432 6.298 10.263 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.292 4.747 8.672 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.536 3.417 8.618 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -7.360 3.532 7.647 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.012 3.071 10.013 1.00 0.00 C ATOM 0 H LEU B 36 -10.556 3.952 6.791 1.00 0.00 H new ATOM 0 HA LEU B 36 -10.978 3.790 9.674 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.120 5.313 7.756 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -8.921 5.355 9.497 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.211 2.632 8.277 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.824 2.584 7.611 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -7.732 3.777 6.652 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.685 4.318 7.985 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.474 2.124 9.975 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -7.339 3.858 10.354 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.850 2.985 10.705 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.296 6.298 8.242 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.051 7.558 8.522 1.00 0.00 C ATOM 1275 C CYS B 37 -13.825 7.411 9.835 1.00 0.00 C ATOM 1276 O CYS B 37 -13.784 8.270 10.692 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.011 7.724 7.345 1.00 0.00 C ATOM 1278 SG CYS B 37 -14.971 9.244 7.560 1.00 0.00 S ATOM 0 H CYS B 37 -12.426 5.911 7.307 1.00 0.00 H new ATOM 0 HA CYS B 37 -12.396 8.423 8.626 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.453 7.763 6.409 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -14.679 6.865 7.283 1.00 0.00 H new ATOM 1283 N THR B 38 -14.511 6.314 10.003 1.00 0.00 N ATOM 1284 CA THR B 38 -15.264 6.094 11.267 1.00 0.00 C ATOM 1285 C THR B 38 -14.270 5.929 12.421 1.00 0.00 C ATOM 1286 O THR B 38 -14.574 6.204 13.564 1.00 0.00 O ATOM 1287 CB THR B 38 -16.052 4.801 11.036 1.00 0.00 C ATOM 1288 OG1 THR B 38 -17.041 5.026 10.040 1.00 0.00 O ATOM 1289 CG2 THR B 38 -16.729 4.367 12.337 1.00 0.00 C ATOM 0 H THR B 38 -14.582 5.561 9.319 1.00 0.00 H new ATOM 0 HA THR B 38 -15.924 6.923 11.522 1.00 0.00 H new ATOM 0 HB THR B 38 -15.371 4.016 10.708 1.00 0.00 H new ATOM 0 HG1 THR B 38 -17.546 4.200 9.888 1.00 0.00 H new ATOM 0 HG21 THR B 38 -17.288 3.447 12.167 1.00 0.00 H new ATOM 0 HG22 THR B 38 -15.971 4.195 13.102 1.00 0.00 H new ATOM 0 HG23 THR B 38 -17.411 5.149 12.671 1.00 0.00 H new ATOM 1297 N ALA B 39 -13.079 5.488 12.118 1.00 0.00 N ATOM 1298 CA ALA B 39 -12.046 5.307 13.176 1.00 0.00 C ATOM 1299 C ALA B 39 -12.581 4.436 14.313 1.00 0.00 C ATOM 1300 O ALA B 39 -12.886 4.912 15.388 1.00 0.00 O ATOM 1301 CB ALA B 39 -11.738 6.714 13.674 1.00 0.00 C ATOM 0 H ALA B 39 -12.776 5.244 11.175 1.00 0.00 H new ATOM 0 HA ALA B 39 -11.157 4.805 12.795 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.983 6.665 14.458 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -11.365 7.319 12.848 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -12.646 7.166 14.073 1.00 0.00 H new ATOM 1307 N ARG B 40 -12.678 3.160 14.083 1.00 0.00 N ATOM 1308 CA ARG B 40 -13.176 2.239 15.143 1.00 0.00 C ATOM 1309 C ARG B 40 -12.693 0.805 14.876 1.00 0.00 C ATOM 1310 O ARG B 40 -13.478 -0.121 14.909 1.00 0.00 O ATOM 1311 CB ARG B 40 -14.700 2.314 15.041 1.00 0.00 C ATOM 1312 CG ARG B 40 -15.287 2.684 16.404 1.00 0.00 C ATOM 1313 CD ARG B 40 -16.811 2.539 16.357 1.00 0.00 C ATOM 1314 NE ARG B 40 -17.303 3.231 17.580 1.00 0.00 N ATOM 1315 CZ ARG B 40 -18.306 2.735 18.251 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -19.437 2.488 17.647 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -18.180 2.485 19.526 1.00 0.00 N ATOM 0 H ARG B 40 -12.433 2.710 13.201 1.00 0.00 H new ATOM 0 HA ARG B 40 -12.814 2.516 16.133 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -14.989 3.055 14.296 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -15.100 1.356 14.709 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -14.873 2.038 17.178 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -15.016 3.707 16.664 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -17.223 2.992 15.455 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.107 1.490 16.351 1.00 0.00 H new ATOM 0 HE ARG B 40 -16.856 4.093 17.893 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -19.536 2.683 16.651 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -20.221 2.100 18.171 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -17.297 2.677 19.999 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -18.965 2.097 20.050 1.00 0.00 H new ATOM 1331 N PRO B 41 -11.413 0.662 14.615 1.00 0.00 N ATOM 1332 CA PRO B 41 -10.847 -0.682 14.339 1.00 0.00 C ATOM 1333 C PRO B 41 -10.701 -1.486 15.634 1.00 0.00 C ATOM 1334 O PRO B 41 -10.020 -1.076 16.553 1.00 0.00 O ATOM 1335 CB PRO B 41 -9.473 -0.380 13.751 1.00 0.00 C ATOM 1336 CG PRO B 41 -9.104 0.964 14.295 1.00 0.00 C ATOM 1337 CD PRO B 41 -10.384 1.713 14.547 1.00 0.00 C ATOM 0 HA PRO B 41 -11.478 -1.275 13.677 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -8.745 -1.137 14.042 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -9.504 -0.370 12.661 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -8.531 0.861 15.217 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -8.475 1.505 13.588 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -10.335 2.283 15.475 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -10.593 2.423 13.747 1.00 0.00 H new ATOM 1345 N GLU B 42 -11.316 -2.634 15.712 1.00 0.00 N ATOM 1346 CA GLU B 42 -11.184 -3.460 16.945 1.00 0.00 C ATOM 1347 C GLU B 42 -9.717 -3.853 17.132 1.00 0.00 C ATOM 1348 O GLU B 42 -9.243 -4.038 18.234 1.00 0.00 O ATOM 1349 CB GLU B 42 -12.044 -4.699 16.693 1.00 0.00 C ATOM 1350 CG GLU B 42 -13.496 -4.275 16.463 1.00 0.00 C ATOM 1351 CD GLU B 42 -14.398 -4.961 17.493 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -14.434 -4.496 18.621 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -15.035 -5.937 17.137 1.00 0.00 O ATOM 0 H GLU B 42 -11.902 -3.034 14.979 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.502 -2.931 17.843 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -11.671 -5.243 15.825 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -11.983 -5.377 17.545 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -13.588 -3.192 16.548 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -13.809 -4.543 15.454 1.00 0.00 H new ATOM 1360 N ARG B 43 -9.001 -3.971 16.049 1.00 0.00 N ATOM 1361 CA ARG B 43 -7.561 -4.341 16.127 1.00 0.00 C ATOM 1362 C ARG B 43 -6.833 -3.802 14.890 1.00 0.00 C ATOM 1363 O ARG B 43 -6.653 -4.514 13.921 1.00 0.00 O ATOM 1364 CB ARG B 43 -7.541 -5.869 16.143 1.00 0.00 C ATOM 1365 CG ARG B 43 -7.939 -6.371 17.534 1.00 0.00 C ATOM 1366 CD ARG B 43 -7.299 -7.737 17.788 1.00 0.00 C ATOM 1367 NE ARG B 43 -8.219 -8.717 17.146 1.00 0.00 N ATOM 1368 CZ ARG B 43 -7.753 -9.588 16.292 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -7.254 -10.714 16.718 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -7.788 -9.330 15.014 1.00 0.00 N ATOM 0 H ARG B 43 -9.356 -3.825 15.104 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.065 -3.927 17.005 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -8.229 -6.260 15.393 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -6.547 -6.233 15.884 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -7.617 -5.660 18.295 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -9.024 -6.447 17.608 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -6.300 -7.792 17.356 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -7.196 -7.933 18.855 1.00 0.00 H new ATOM 0 HE ARG B 43 -9.213 -8.708 17.374 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -7.228 -10.914 17.718 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -6.890 -11.395 16.052 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -8.179 -8.448 14.682 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -7.424 -10.010 14.346 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.450 -2.549 14.953 1.00 0.00 N ATOM 1385 CA PRO B 44 -5.753 -1.909 13.809 1.00 0.00 C ATOM 1386 C PRO B 44 -4.341 -2.477 13.642 1.00 0.00 C ATOM 1387 O PRO B 44 -3.812 -2.528 12.549 1.00 0.00 O ATOM 1388 CB PRO B 44 -5.707 -0.433 14.194 1.00 0.00 C ATOM 1389 CG PRO B 44 -5.799 -0.422 15.686 1.00 0.00 C ATOM 1390 CD PRO B 44 -6.621 -1.620 16.080 1.00 0.00 C ATOM 0 HA PRO B 44 -6.256 -2.081 12.857 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -4.785 0.036 13.852 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -6.532 0.119 13.743 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -4.807 -0.469 16.135 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -6.264 0.499 16.038 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -6.269 -2.056 17.015 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -7.669 -1.356 16.225 1.00 0.00 H new ATOM 1398 N MET B 45 -3.722 -2.902 14.709 1.00 0.00 N ATOM 1399 CA MET B 45 -2.345 -3.459 14.588 1.00 0.00 C ATOM 1400 C MET B 45 -2.327 -4.604 13.567 1.00 0.00 C ATOM 1401 O MET B 45 -1.454 -4.681 12.726 1.00 0.00 O ATOM 1402 CB MET B 45 -1.980 -3.961 15.988 1.00 0.00 C ATOM 1403 CG MET B 45 -2.993 -5.009 16.453 1.00 0.00 C ATOM 1404 SD MET B 45 -2.845 -5.240 18.241 1.00 0.00 S ATOM 1405 CE MET B 45 -3.886 -6.716 18.366 1.00 0.00 C ATOM 0 H MET B 45 -4.107 -2.888 15.654 1.00 0.00 H new ATOM 0 HA MET B 45 -1.629 -2.715 14.238 1.00 0.00 H new ATOM 0 HB2 MET B 45 -0.979 -4.391 15.979 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.962 -3.126 16.689 1.00 0.00 H new ATOM 0 HG2 MET B 45 -4.004 -4.691 16.199 1.00 0.00 H new ATOM 0 HG3 MET B 45 -2.818 -5.953 15.938 1.00 0.00 H new ATOM 0 HE1 MET B 45 -3.407 -7.445 19.020 1.00 0.00 H new ATOM 0 HE2 MET B 45 -4.858 -6.442 18.777 1.00 0.00 H new ATOM 0 HE3 MET B 45 -4.021 -7.151 17.376 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.281 -5.492 13.628 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.313 -6.622 12.653 1.00 0.00 C ATOM 1417 C ALA B 46 -4.149 -6.244 11.427 1.00 0.00 C ATOM 1418 O ALA B 46 -3.958 -6.766 10.347 1.00 0.00 O ATOM 1419 CB ALA B 46 -3.964 -7.781 13.409 1.00 0.00 C ATOM 0 H ALA B 46 -4.040 -5.485 14.310 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.318 -6.879 12.290 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.024 -8.653 12.757 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.365 -8.025 14.287 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -4.967 -7.493 13.723 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.082 -5.345 11.592 1.00 0.00 N ATOM 1426 CA PHE B 47 -5.944 -4.934 10.442 1.00 0.00 C ATOM 1427 C PHE B 47 -5.093 -4.601 9.212 1.00 0.00 C ATOM 1428 O PHE B 47 -5.398 -5.008 8.109 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.690 -3.692 10.932 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.628 -3.213 9.853 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.750 -3.993 9.496 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.386 -1.982 9.200 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.630 -3.545 8.485 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.265 -1.535 8.190 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.387 -2.316 7.830 1.00 0.00 C ATOM 0 H PHE B 47 -5.286 -4.876 12.474 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.624 -5.730 10.139 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.249 -3.924 11.838 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -5.980 -2.905 11.188 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.936 -4.932 9.996 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -6.529 -1.384 9.474 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.488 -4.142 8.213 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -8.080 -0.595 7.692 1.00 0.00 H new ATOM 0 HZ PHE B 47 -10.058 -1.974 7.056 1.00 0.00 H new ATOM 1445 N LEU B 48 -4.030 -3.861 9.389 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.170 -3.504 8.220 1.00 0.00 C ATOM 1447 C LEU B 48 -2.801 -4.763 7.425 1.00 0.00 C ATOM 1448 O LEU B 48 -2.788 -4.759 6.209 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.921 -2.866 8.827 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.284 -1.922 7.804 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -2.073 -0.612 7.758 1.00 0.00 C ATOM 1452 CD2 LEU B 48 0.162 -1.630 8.210 1.00 0.00 C ATOM 0 H LEU B 48 -3.720 -3.490 10.287 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.675 -2.831 7.527 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.183 -2.317 9.731 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.209 -3.639 9.118 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.298 -2.391 6.820 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.620 0.060 7.030 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -3.104 -0.818 7.469 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -2.059 -0.144 8.742 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.616 -0.958 7.482 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.176 -1.162 9.194 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.726 -2.562 8.244 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.506 -5.838 8.102 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.145 -7.094 7.384 1.00 0.00 C ATOM 1466 C ARG B 49 -3.315 -7.553 6.511 1.00 0.00 C ATOM 1467 O ARG B 49 -3.194 -7.684 5.309 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.862 -8.114 8.488 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.604 -9.489 7.864 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.190 -10.478 8.955 1.00 0.00 C ATOM 1471 NE ARG B 49 -2.373 -11.359 9.144 1.00 0.00 N ATOM 1472 CZ ARG B 49 -2.208 -12.615 9.456 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -1.613 -13.423 8.620 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -2.637 -13.066 10.604 1.00 0.00 N ATOM 0 H ARG B 49 -2.499 -5.902 9.120 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.288 -6.964 6.724 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.997 -7.801 9.073 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.708 -8.167 9.173 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -2.502 -9.844 7.359 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.821 -9.416 7.109 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.314 -11.053 8.655 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -0.931 -9.961 9.879 1.00 0.00 H new ATOM 0 HE ARG B 49 -3.314 -10.981 9.030 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -1.277 -13.072 7.723 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -1.484 -14.405 8.864 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -3.102 -12.436 11.258 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -2.507 -14.048 10.847 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.451 -7.796 7.106 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.631 -8.243 6.308 1.00 0.00 C ATOM 1490 C GLU B 50 -6.223 -7.069 5.518 1.00 0.00 C ATOM 1491 O GLU B 50 -7.139 -7.240 4.736 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.635 -8.754 7.342 1.00 0.00 C ATOM 1493 CG GLU B 50 -6.625 -10.283 7.354 1.00 0.00 C ATOM 1494 CD GLU B 50 -7.820 -10.797 8.159 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -8.875 -10.188 8.070 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -7.661 -11.790 8.848 1.00 0.00 O ATOM 0 H GLU B 50 -4.614 -7.705 8.109 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.367 -9.009 5.579 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.381 -8.371 8.330 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.634 -8.389 7.105 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -6.669 -10.665 6.334 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -5.695 -10.647 7.791 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.714 -5.880 5.709 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.255 -4.707 4.965 1.00 0.00 C ATOM 1505 C TYR B 51 -5.824 -4.767 3.493 1.00 0.00 C ATOM 1506 O TYR B 51 -6.622 -5.014 2.613 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.654 -3.483 5.668 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.920 -2.235 4.858 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.186 -1.610 4.913 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -4.901 -1.696 4.041 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.432 -0.445 4.151 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.145 -0.533 3.280 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.412 0.093 3.335 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.651 1.230 2.591 1.00 0.00 O ATOM 0 H TYR B 51 -4.947 -5.672 6.348 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.345 -4.677 4.967 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.085 -3.378 6.664 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.580 -3.619 5.798 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -7.965 -2.022 5.537 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -3.934 -2.175 3.999 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.399 0.034 4.193 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.365 -0.121 2.656 1.00 0.00 H new ATOM 0 HH TYR B 51 -5.798 1.630 2.321 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.568 -4.532 3.222 1.00 0.00 N ATOM 1525 CA PHE B 52 -4.101 -4.566 1.805 1.00 0.00 C ATOM 1526 C PHE B 52 -3.968 -6.011 1.316 1.00 0.00 C ATOM 1527 O PHE B 52 -4.032 -6.284 0.134 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.738 -3.875 1.813 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.592 -3.054 0.554 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -2.213 -3.676 -0.656 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.838 -1.663 0.586 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -2.077 -2.909 -1.833 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.704 -0.895 -0.591 1.00 0.00 C ATOM 1534 CZ PHE B 52 -2.325 -1.517 -1.801 1.00 0.00 C ATOM 0 H PHE B 52 -3.850 -4.319 3.914 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.804 -4.071 1.134 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.646 -3.236 2.691 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.941 -4.616 1.873 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.027 -4.740 -0.681 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -3.129 -1.187 1.511 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.784 -3.385 -2.757 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.891 0.168 -0.566 1.00 0.00 H new ATOM 0 HZ PHE B 52 -2.225 -0.930 -2.702 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.787 -6.942 2.213 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.653 -8.366 1.791 1.00 0.00 C ATOM 1546 C GLU B 53 -4.906 -8.809 1.027 1.00 0.00 C ATOM 1547 O GLU B 53 -4.843 -9.176 -0.130 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.509 -9.155 3.094 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.495 -10.654 2.787 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.197 -11.434 4.069 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -3.748 -11.081 5.097 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -2.419 -12.372 4.000 1.00 0.00 O ATOM 0 H GLU B 53 -3.726 -6.779 3.218 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.803 -8.523 1.126 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.589 -8.869 3.604 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.333 -8.919 3.767 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -4.457 -10.961 2.377 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.741 -10.874 2.031 1.00 0.00 H new ATOM 1559 N LYS B 54 -6.041 -8.781 1.669 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.299 -9.206 0.982 1.00 0.00 C ATOM 1561 C LYS B 54 -7.649 -8.230 -0.143 1.00 0.00 C ATOM 1562 O LYS B 54 -8.284 -8.591 -1.114 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.375 -9.172 2.070 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.803 -10.601 2.409 1.00 0.00 C ATOM 1565 CD LYS B 54 -8.696 -10.821 3.920 1.00 0.00 C ATOM 1566 CE LYS B 54 -9.878 -10.148 4.619 1.00 0.00 C ATOM 1567 NZ LYS B 54 -10.850 -11.247 4.876 1.00 0.00 N ATOM 0 H LYS B 54 -6.155 -8.483 2.638 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.205 -10.192 0.528 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.991 -8.675 2.961 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.234 -8.595 1.729 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -9.827 -10.774 2.077 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -8.172 -11.316 1.881 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.688 -11.888 4.143 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -7.758 -10.410 4.292 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -9.567 -9.671 5.548 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -10.317 -9.371 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -11.690 -10.863 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.133 -11.678 3.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.407 -11.968 5.480 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.243 -6.995 -0.023 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.557 -5.995 -1.089 1.00 0.00 C ATOM 1583 C LEU B 55 -7.169 -6.539 -2.468 1.00 0.00 C ATOM 1584 O LEU B 55 -7.868 -6.341 -3.442 1.00 0.00 O ATOM 1585 CB LEU B 55 -6.711 -4.769 -0.742 1.00 0.00 C ATOM 1586 CG LEU B 55 -7.631 -3.583 -0.444 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -6.879 -2.557 0.407 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -8.064 -2.931 -1.759 1.00 0.00 C ATOM 0 H LEU B 55 -6.707 -6.633 0.766 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.621 -5.762 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.081 -4.981 0.122 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.045 -4.527 -1.570 1.00 0.00 H new ATOM 0 HG LEU B 55 -8.510 -3.932 0.097 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -7.533 -1.712 0.620 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -6.567 -3.020 1.343 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -6.000 -2.208 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -8.719 -2.086 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -7.184 -2.581 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -8.598 -3.660 -2.368 1.00 0.00 H new ATOM 1600 N GLU B 56 -6.060 -7.221 -2.558 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.630 -7.773 -3.875 1.00 0.00 C ATOM 1602 C GLU B 56 -6.518 -8.957 -4.269 1.00 0.00 C ATOM 1603 O GLU B 56 -6.703 -9.245 -5.435 1.00 0.00 O ATOM 1604 CB GLU B 56 -4.186 -8.232 -3.660 1.00 0.00 C ATOM 1605 CG GLU B 56 -3.288 -7.619 -4.737 1.00 0.00 C ATOM 1606 CD GLU B 56 -2.084 -6.946 -4.077 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -1.384 -7.621 -3.339 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -1.882 -5.767 -4.318 1.00 0.00 O ATOM 0 H GLU B 56 -5.434 -7.420 -1.778 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.709 -7.038 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.842 -7.932 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -4.129 -9.320 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.952 -8.392 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -3.849 -6.891 -5.322 1.00 0.00 H new ATOM 1615 N LYS B 57 -7.066 -9.647 -3.307 1.00 0.00 N ATOM 1616 CA LYS B 57 -7.939 -10.812 -3.629 1.00 0.00 C ATOM 1617 C LYS B 57 -9.379 -10.345 -3.866 1.00 0.00 C ATOM 1618 O LYS B 57 -10.127 -10.959 -4.600 1.00 0.00 O ATOM 1619 CB LYS B 57 -7.864 -11.717 -2.398 1.00 0.00 C ATOM 1620 CG LYS B 57 -7.195 -13.039 -2.778 1.00 0.00 C ATOM 1621 CD LYS B 57 -5.724 -13.009 -2.354 1.00 0.00 C ATOM 1622 CE LYS B 57 -5.123 -14.409 -2.500 1.00 0.00 C ATOM 1623 NZ LYS B 57 -4.054 -14.262 -3.526 1.00 0.00 N ATOM 0 H LYS B 57 -6.947 -9.455 -2.312 1.00 0.00 H new ATOM 0 HA LYS B 57 -7.620 -11.329 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -7.299 -11.226 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -8.865 -11.902 -2.008 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -7.707 -13.870 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -7.271 -13.201 -3.853 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -5.172 -12.298 -2.969 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -5.639 -12.671 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -4.716 -14.765 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -5.876 -15.131 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -3.594 -15.181 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -4.472 -13.928 -4.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -3.348 -13.573 -3.196 1.00 0.00 H new ATOM 1637 N GLU B 58 -9.772 -9.264 -3.250 1.00 0.00 N ATOM 1638 CA GLU B 58 -11.163 -8.761 -3.442 1.00 0.00 C ATOM 1639 C GLU B 58 -11.345 -8.245 -4.871 1.00 0.00 C ATOM 1640 O GLU B 58 -12.355 -8.483 -5.503 1.00 0.00 O ATOM 1641 CB GLU B 58 -11.313 -7.617 -2.436 1.00 0.00 C ATOM 1642 CG GLU B 58 -11.907 -8.156 -1.135 1.00 0.00 C ATOM 1643 CD GLU B 58 -12.895 -7.136 -0.563 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -13.665 -6.589 -1.336 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -12.864 -6.920 0.637 1.00 0.00 O ATOM 0 H GLU B 58 -9.191 -8.707 -2.623 1.00 0.00 H new ATOM 0 HA GLU B 58 -11.909 -9.540 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.343 -7.159 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -11.957 -6.839 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.413 -9.104 -1.319 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.113 -8.353 -0.414 1.00 0.00 H new